#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ua5 s PRO 2 N 0.00 2.11 -0.12 -1.46 0.04 -1.26 -4.72 135.00 129.59 1ua5 s PRO 2 Ca 0.00 1.28 0.03 0.00 0.04 0.00 0.00 61.00 62.35 1ua5 s PRO 2 Cb 0.00 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1ua5 s PRO 2 CO 0.00 -1.77 -0.23 0.42 0.04 0.00 0.00 177.00 175.47 1ua5 s ILE 3 N -2.77 2.01 -0.34 0.56 1.01 -0.81 -1.56 121.20 119.31 1ua5 s ILE 3 Ca 0.63 -0.97 -0.08 0.00 0.00 0.00 0.00 60.65 60.22 1ua5 s ILE 3 Cb -0.19 -1.76 0.03 0.00 0.01 0.00 0.00 42.46 40.55 1ua5 s ILE 3 CO 0.54 0.55 0.14 -0.22 0.00 0.00 0.00 174.94 175.95 1ua5 s LEU 4 N 0.57 4.36 -0.15 2.97 2.96 -0.80 -1.76 118.68 126.84 1ua5 s LEU 4 Ca -0.13 -0.99 -0.11 0.00 -0.22 0.00 0.00 54.13 52.68 1ua5 s LEU 4 Cb -0.17 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 1ua5 s LEU 4 CO 0.04 -0.32 0.22 -0.83 -1.32 0.00 0.00 176.35 174.15 1ua5 s GLY 5 N 1.48 2.18 0.06 7.98 0.00 -0.05 -1.30 107.32 117.67 1ua5 s GLY 5 Ca 0.01 -0.54 -0.28 0.00 0.00 0.00 0.00 44.72 43.91 1ua5 s GLY 5 CO 0.04 0.14 1.05 -0.47 0.00 0.00 0.00 173.10 173.86 1ua5 s TYR 6 N -0.05 -0.15 0.79 1.90 5.04 -0.50 -2.17 117.35 122.21 1ua5 s TYR 6 Ca 0.14 -0.06 -0.13 0.00 -2.44 0.00 0.00 57.07 54.58 1ua5 s TYR 6 Cb -0.13 0.59 0.07 0.00 0.35 0.00 0.00 41.96 42.85 1ua5 s TYR 6 CO 0.03 -0.59 1.19 -1.58 -1.34 0.00 0.00 175.55 173.26 1ua5 s TRP 7 N -2.97 1.92 -1.50 4.97 0.52 -1.26 -1.16 118.94 119.46 1ua5 s TRP 7 Ca 0.11 1.66 -0.11 0.00 0.02 0.00 0.00 56.10 57.78 1ua5 s TRP 7 Cb 0.00 -3.43 0.01 0.00 -1.15 0.00 0.00 33.47 28.90 1ua5 s TRP 7 CO -0.02 -2.68 2.52 1.17 0.02 0.00 0.00 176.95 177.97 1ua5 n LYS 8 N -3.21 3.49 -4.11 4.98 4.81 -0.51 -4.65 118.16 118.96 1ua5 n LYS 8 Ca 0.13 -2.63 -0.10 0.00 -0.87 0.00 0.00 58.31 54.84 1ua5 n LYS 8 Cb 0.51 -2.97 -0.09 0.00 0.02 0.00 0.00 35.03 32.50 1ua5 n LYS 8 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1ua5 s ILE 9 N 1.98 0.04 0.00 3.15 -4.36 -1.26 -4.52 121.20 116.23 1ua5 s ILE 9 Ca 0.57 -1.77 0.00 0.00 -0.26 0.00 0.00 60.65 59.18 1ua5 s ILE 9 Cb 0.16 -2.20 0.00 0.00 1.25 0.00 0.00 42.46 41.66 1ua5 s ILE 9 CO -0.07 -0.19 0.34 0.29 0.24 0.00 0.00 174.94 175.55 1ua5 n LYS 10 N -0.23 0.00 0.00 0.37 5.02 -0.36 -4.83 118.16 118.14 1ua5 n LYS 10 Ca -0.02 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1ua5 n LYS 10 Cb 0.64 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 1ua5 n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ua5 n GLY 11 N 0.98 2.48 0.22 0.72 0.00 -0.26 -2.52 105.19 106.80 1ua5 n GLY 11 Ca 0.00 -0.24 0.09 0.00 0.00 0.00 0.00 46.02 45.87 1ua5 n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ua5 h LEU 12 N 0.00 0.00 -0.43 0.99 3.38 -1.91 -3.31 115.31 114.03 1ua5 h LEU 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ua5 h LEU 12 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ua5 h LEU 12 CO 0.00 0.25 -0.75 0.55 0.09 0.00 0.00 178.44 178.58 1ua5 n VAL 13 N -3.43 0.00 -0.22 1.22 3.14 -1.12 -4.58 118.33 113.34 1ua5 n VAL 13 Ca -0.00 -0.13 -0.06 0.00 -2.96 0.00 0.00 64.34 61.19 1ua5 n VAL 13 Cb 0.44 1.11 0.04 0.00 -1.06 0.00 0.00 33.84 34.36 1ua5 n VAL 13 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 1ua5 h GLN 14 N 1.02 0.84 -0.17 1.45 5.75 -1.58 -1.59 115.11 120.82 1ua5 h GLN 14 Ca 0.00 -0.08 0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1ua5 h GLN 14 Cb 0.59 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 1ua5 h GLN 14 CO 0.00 0.60 0.12 -1.35 -2.65 0.00 0.00 178.83 175.55 1ua5 h PRO 15 N 0.84 0.12 -0.36 -2.39 0.11 -1.82 -2.00 132.00 126.50 1ua5 h PRO 15 Ca 0.22 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.16 1ua5 h PRO 15 Cb -0.02 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.06 1ua5 h PRO 15 CO -0.04 0.08 -0.41 1.15 -0.21 0.00 0.00 178.00 178.57 1ua5 h THR 16 N 0.12 1.27 -0.39 -1.15 2.02 -1.61 -2.48 112.91 110.70 1ua5 h THR 16 Ca 0.07 -1.59 0.02 0.00 0.77 0.00 0.00 66.41 65.69 1ua5 h THR 16 Cb 0.14 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 1ua5 h THR 16 CO -0.01 0.53 0.21 0.03 0.37 0.00 0.00 175.52 176.65 1ua5 h ARG 17 N 0.72 0.42 -0.64 6.66 3.08 -0.98 -0.56 114.38 123.07 1ua5 h ARG 17 Ca 0.05 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1ua5 h ARG 17 Cb 1.01 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 1ua5 h ARG 17 CO 0.10 0.28 0.32 -0.07 -1.07 0.00 0.00 179.97 179.52 1ua5 h LEU 18 N 0.43 0.83 -0.53 3.04 4.07 -1.35 -1.37 115.31 120.43 1ua5 h LEU 18 Ca 0.16 -0.12 -0.08 0.00 0.08 0.00 0.00 57.88 57.91 1ua5 h LEU 18 Cb 0.04 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 1ua5 h LEU 18 CO -0.09 0.72 0.01 0.25 -1.08 0.00 0.00 178.44 178.24 1ua5 h LEU 19 N 0.88 0.92 -0.87 1.67 5.85 -1.27 -0.66 115.31 121.83 1ua5 h LEU 19 Ca 0.22 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.67 1ua5 h LEU 19 Cb 0.10 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 1ua5 h LEU 19 CO -0.03 1.00 0.57 -0.07 -0.34 0.00 0.00 178.44 179.57 1ua5 h LEU 20 N 0.81 0.95 -0.67 2.25 3.38 -0.79 -1.89 115.31 119.35 1ua5 h LEU 20 Ca 0.15 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 1ua5 h LEU 20 Cb 0.52 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1ua5 h LEU 20 CO 0.03 0.66 -0.37 -0.33 0.09 0.00 0.00 178.44 178.52 1ua5 h GLU 21 N 1.11 0.61 -0.28 1.13 4.39 -1.07 -0.59 114.58 119.89 1ua5 h GLU 21 Ca 0.34 -0.30 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 1ua5 h GLU 21 Cb -0.02 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1ua5 h GLU 21 CO -0.11 0.89 -0.14 -0.92 -1.16 0.00 0.00 179.01 177.56 1ua5 h TYR 22 N 0.51 0.52 -0.01 4.33 3.20 -0.73 -2.37 116.97 122.42 1ua5 h TYR 22 Ca 0.05 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1ua5 h TYR 22 Cb 0.87 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.01 1ua5 h TYR 22 CO 0.04 0.61 -0.08 1.28 -1.64 0.00 0.00 178.16 178.37 1ua5 n LEU 23 N -4.19 1.02 -3.63 2.82 4.77 -0.75 -4.93 117.00 112.12 1ua5 n LEU 23 Ca 0.00 -0.29 -0.24 0.00 -0.03 0.00 0.00 56.01 55.45 1ua5 n LEU 23 Cb 0.33 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 41.44 1ua5 n LEU 23 CO 0.40 0.18 0.21 -0.62 -1.33 0.00 0.00 177.39 176.23 1ua5 n GLU 24 N -0.35 -7.46 -3.09 3.23 1.02 -0.89 -4.97 120.64 108.13 1ua5 n GLU 24 Ca 0.17 0.80 -0.39 0.00 -0.02 0.00 0.00 57.16 57.71 1ua5 n GLU 24 Cb 0.31 -5.82 -0.05 0.00 -0.02 0.00 0.00 31.44 25.86 1ua5 n GLU 24 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1ua5 s GLU 25 N -6.26 4.41 0.27 3.49 2.56 -0.26 -5.04 118.70 117.88 1ua5 s GLU 25 Ca 0.53 0.89 -0.29 0.00 0.00 0.00 0.00 54.97 56.09 1ua5 s GLU 25 Cb -0.24 -3.38 -0.09 0.00 2.00 0.00 0.00 34.13 32.42 1ua5 s GLU 25 CO 0.75 0.26 1.07 0.21 -0.56 0.00 0.00 175.26 176.98 1ua5 s LYS 26 N 0.11 4.68 -0.29 4.30 2.20 -1.26 -4.74 119.74 124.75 1ua5 s LYS 26 Ca 0.35 1.74 -0.22 0.00 -0.36 0.00 0.00 55.97 57.48 1ua5 s LYS 26 Cb -0.19 -3.20 0.13 0.00 -1.51 0.00 0.00 37.83 33.07 1ua5 s LYS 26 CO 0.19 0.27 1.03 1.52 -0.36 0.00 0.00 175.35 178.01 1ua5 s TYR 27 N -1.17 -0.49 0.20 4.03 1.13 -1.26 -4.44 117.35 115.35 1ua5 s TYR 27 Ca 0.44 1.11 -0.04 0.00 -1.41 0.00 0.00 57.07 57.17 1ua5 s TYR 27 Cb -0.31 0.37 -0.05 0.00 -1.10 0.00 0.00 41.96 40.87 1ua5 s TYR 27 CO 0.39 -0.24 0.44 -1.83 -2.51 0.00 0.00 175.55 171.80 1ua5 s GLU 28 N 0.57 3.61 -0.06 -3.49 -1.05 -0.60 -4.99 118.70 112.69 1ua5 s GLU 28 Ca -0.00 -0.11 0.02 0.00 -0.15 0.00 0.00 54.97 54.72 1ua5 s GLU 28 Cb -0.05 -2.78 -0.03 0.00 -0.44 0.00 0.00 34.13 30.84 1ua5 s GLU 28 CO -0.10 0.37 -0.10 -1.21 0.95 0.00 0.00 175.26 175.18 1ua5 s GLU 29 N -3.08 2.69 -0.34 -4.83 2.02 -1.26 -1.90 118.70 112.00 1ua5 s GLU 29 Ca 0.41 -0.62 -0.15 0.00 0.02 0.00 0.00 54.97 54.64 1ua5 s GLU 29 Cb -0.11 -2.51 -0.01 0.00 0.10 0.00 0.00 34.13 31.60 1ua5 s GLU 29 CO 0.27 0.62 0.33 -1.01 0.02 0.00 0.00 175.26 175.49 1ua5 s HIS 30 N -0.70 3.22 -0.28 1.61 3.76 -0.42 -4.93 115.29 117.54 1ua5 s HIS 30 Ca 0.11 -0.08 0.01 0.00 -0.15 0.00 0.00 55.06 54.95 1ua5 s HIS 30 Cb -0.11 -2.62 0.06 0.00 1.11 0.00 0.00 32.58 31.02 1ua5 s HIS 30 CO 0.01 -0.41 -0.06 -0.51 -0.85 0.00 0.00 174.74 172.92 1ua5 s LEU 31 N 1.94 3.71 -0.44 0.89 1.43 -1.26 -1.41 118.68 123.54 1ua5 s LEU 31 Ca 0.10 -1.39 -0.25 0.00 -1.03 0.00 0.00 54.13 51.56 1ua5 s LEU 31 Cb -0.17 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.46 1ua5 s LEU 31 CO 0.11 -0.23 0.89 -0.31 0.23 0.00 0.00 176.35 177.04 1ua5 s TYR 32 N 1.15 2.97 1.16 0.29 2.02 -0.31 -4.78 117.35 119.86 1ua5 s TYR 32 Ca -0.06 0.42 -0.15 0.00 -0.37 0.00 0.00 57.07 56.91 1ua5 s TYR 32 Cb -0.20 -3.82 0.27 0.00 -0.40 0.00 0.00 41.96 37.81 1ua5 s TYR 32 CO -0.04 -1.01 1.04 -2.00 -1.57 0.00 0.00 175.55 171.98 1ua5 s GLU 33 N 3.57 -0.86 0.28 -0.62 2.56 -1.26 -1.43 118.70 120.94 1ua5 s GLU 33 Ca 0.35 0.53 0.01 0.00 0.00 0.00 0.00 54.97 55.86 1ua5 s GLU 33 Cb -0.11 -1.59 0.52 0.00 2.00 0.00 0.00 34.13 34.96 1ua5 s GLU 33 CO 0.24 -3.60 1.85 -0.09 -0.56 0.00 0.00 175.26 173.10 1ua5 h ARG 34 N -2.52 1.01 -0.66 4.30 2.43 -1.96 -2.60 114.38 114.38 1ua5 h ARG 34 Ca -0.56 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.53 1ua5 h ARG 34 Cb 1.33 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1ua5 h ARG 34 CO 0.49 0.67 0.02 -0.40 -1.51 0.00 0.00 179.97 179.24 1ua5 n ASP 35 N -4.58 4.94 -0.42 -3.80 5.75 -1.26 -4.42 116.55 112.77 1ua5 n ASP 35 Ca 0.18 -2.80 0.07 0.00 -0.01 0.00 0.00 54.79 52.23 1ua5 n ASP 35 Cb 0.31 -0.66 0.18 0.00 -1.03 0.00 0.00 41.12 39.91 1ua5 n ASP 35 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ua5 n GLU 36 N 0.48 1.59 -0.22 0.11 1.02 -0.98 -4.67 120.64 117.97 1ua5 n GLU 36 Ca 0.24 -2.90 0.02 0.00 -0.02 0.00 0.00 57.16 54.50 1ua5 n GLU 36 Cb 1.06 -1.60 0.27 0.00 -0.02 0.00 0.00 31.44 31.15 1ua5 n GLU 36 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1ua5 h GLY 37 N 0.59 1.06 1.06 0.62 0.00 -1.77 -1.98 103.07 102.65 1ua5 h GLY 37 Ca 0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 1ua5 h GLY 37 CO 0.06 0.34 0.36 1.29 0.00 0.00 0.00 176.54 178.59 1ua5 h ASP 38 N 0.96 1.10 -0.35 0.19 2.03 -1.97 -0.82 116.42 117.56 1ua5 h ASP 38 Ca 0.30 -0.15 -0.01 0.00 -0.73 0.00 0.00 57.03 56.44 1ua5 h ASP 38 Cb 0.00 -0.28 -0.02 0.00 -0.83 0.00 0.00 39.33 38.20 1ua5 h ASP 38 CO -0.08 0.95 0.20 0.50 -1.03 0.00 0.00 179.24 179.77 1ua5 h LYS 39 N 1.18 0.51 0.01 4.15 3.64 -1.71 -1.89 116.57 122.46 1ua5 h LYS 39 Ca 0.28 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.38 1ua5 h LYS 39 Cb 0.16 -0.11 0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1ua5 h LYS 39 CO -0.03 0.39 -0.90 2.35 -2.27 0.00 0.00 179.45 178.98 1ua5 h TRP 40 N 0.52 0.89 0.00 1.91 -0.00 -1.11 -2.97 115.95 115.20 1ua5 h TRP 40 Ca 0.13 -0.49 -0.02 0.00 -0.00 0.00 0.00 58.89 58.51 1ua5 h TRP 40 Cb 0.03 -0.10 -0.00 0.00 -0.00 0.00 0.00 29.16 29.09 1ua5 h TRP 40 CO 0.00 1.33 -0.10 -0.09 -0.00 0.00 0.00 178.44 179.58 1ua5 h ARG 41 N 0.21 0.00 0.00 2.65 9.65 -0.81 -0.37 114.38 125.71 1ua5 h ARG 41 Ca -0.12 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.76 1ua5 h ARG 41 Cb 1.58 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.16 1ua5 h ARG 41 CO 0.18 0.10 -0.72 -0.91 2.80 0.00 0.00 179.97 181.42 1ua5 h ASN 42 N 0.00 0.00 0.00 -3.80 -0.26 -1.37 -3.33 115.58 106.82 1ua5 h ASN 42 Ca -0.00 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.64 1ua5 h ASN 42 Cb 0.31 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 1ua5 h ASN 42 CO 0.01 0.05 -1.54 0.29 -1.06 0.00 0.00 177.43 175.19 1ua5 n LYS 43 N -2.44 0.69 -0.28 0.81 5.02 -0.95 -4.74 118.16 116.27 1ua5 n LYS 43 Ca 0.02 -0.12 0.08 0.00 -2.02 0.00 0.00 58.31 56.27 1ua5 n LYS 43 Cb 0.49 -1.42 0.23 0.00 -0.02 0.00 0.00 35.03 34.31 1ua5 n LYS 43 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1ua5 h LYS 44 N 0.00 0.41 -0.21 1.97 3.64 -1.19 -0.30 116.57 120.89 1ua5 h LYS 44 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ua5 h LYS 44 Cb 0.72 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1ua5 h LYS 44 CO 0.00 0.27 0.00 1.19 -2.27 0.00 0.00 179.45 178.64 1ua5 n PHE 45 N -5.03 0.25 -0.02 1.91 3.72 -1.26 -4.35 117.46 112.69 1ua5 n PHE 45 Ca 0.17 -0.14 0.10 0.00 -0.05 0.00 0.00 57.45 57.53 1ua5 n PHE 45 Cb 0.50 -0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.26 1ua5 n PHE 45 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1ua5 n GLU 46 N 1.31 2.50 0.00 -1.08 4.71 -0.13 -4.44 120.64 123.52 1ua5 n GLU 46 Ca 0.16 -2.25 0.12 0.00 -0.01 0.00 0.00 57.16 55.17 1ua5 n GLU 46 Cb 0.56 -1.44 0.11 0.00 -1.01 0.00 0.00 31.44 29.66 1ua5 n GLU 46 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1ua5 n LEU 47 N 1.22 2.53 -0.43 -4.62 4.77 -1.18 -4.96 117.00 114.33 1ua5 n LEU 47 Ca 0.18 -0.86 -0.05 0.00 -0.03 0.00 0.00 56.01 55.25 1ua5 n LEU 47 Cb 0.54 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1ua5 n LEU 47 CO 0.13 0.43 -0.05 0.61 -1.33 0.00 0.00 177.39 177.19 1ua5 n GLY 48 N 1.36 0.61 3.69 -0.72 0.00 -1.26 -5.02 105.19 103.85 1ua5 n GLY 48 Ca 0.13 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 1ua5 n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ua5 s LEU 49 N -1.20 4.22 0.26 0.99 1.02 -1.26 -4.92 118.68 117.78 1ua5 s LEU 49 Ca 0.00 0.89 0.18 0.00 0.02 0.00 0.00 54.13 55.22 1ua5 s LEU 49 Cb 0.00 -2.86 0.07 0.00 0.02 0.00 0.00 46.19 43.42 1ua5 s LEU 49 CO 0.00 -0.16 1.29 -0.33 0.02 0.00 0.00 176.35 177.18 1ua5 h GLU 50 N 7.12 0.00 -2.27 1.70 5.08 -1.96 -3.35 114.58 120.90 1ua5 h GLU 50 Ca -0.36 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.41 1ua5 h GLU 50 Cb 1.17 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.01 1ua5 h GLU 50 CO 0.76 0.29 -0.78 1.19 -1.00 0.00 0.00 179.01 179.47 1ua5 n PHE 51 N -3.06 1.96 -1.68 4.33 3.72 -1.26 -5.10 117.46 116.37 1ua5 n PHE 51 Ca -0.00 -3.92 -0.45 0.00 -0.05 0.00 0.00 57.45 53.02 1ua5 n PHE 51 Cb 0.69 -0.43 -0.04 0.00 -0.94 0.00 0.00 39.48 38.76 1ua5 n PHE 51 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1ua5 n PRO 52 N 1.35 2.44 -3.84 -1.08 -0.02 -1.26 -4.76 135.00 127.82 1ua5 n PRO 52 Ca 0.26 0.89 -0.05 0.00 -2.02 0.00 0.00 63.50 62.58 1ua5 n PRO 52 Cb 0.44 -2.75 0.02 0.00 -0.02 0.00 0.00 33.50 31.19 1ua5 n PRO 52 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1ua5 s ASN 53 N 3.09 -0.02 -0.08 2.55 3.84 -1.26 -5.11 114.94 117.94 1ua5 s ASN 53 Ca 0.86 -0.82 0.03 0.00 0.21 0.00 0.00 52.86 53.14 1ua5 s ASN 53 Cb -0.59 0.64 0.01 0.00 -0.55 0.00 0.00 41.25 40.75 1ua5 s ASN 53 CO 0.43 -1.25 -0.17 -0.76 -2.79 0.00 0.00 177.10 172.56 1ua5 s LEU 54 N -3.23 1.81 0.67 3.21 1.43 -1.26 -4.04 118.68 117.27 1ua5 s LEU 54 Ca 0.18 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 1ua5 s LEU 54 Cb -0.04 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 1ua5 s LEU 54 CO 0.07 0.07 1.06 -2.16 0.23 0.00 0.00 176.35 175.62 1ua5 s PRO 55 N 0.61 3.13 0.05 1.29 0.04 -1.26 -4.94 135.00 133.92 1ua5 s PRO 55 Ca -0.15 0.53 0.06 0.00 0.04 0.00 0.00 61.00 61.48 1ua5 s PRO 55 Cb -0.16 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 1ua5 s PRO 55 CO 0.05 -0.84 -0.16 1.52 0.04 0.00 0.00 177.00 177.61 1ua5 s TYR 56 N -3.27 1.37 -0.06 0.56 -0.85 -0.92 -3.56 117.35 110.62 1ua5 s TYR 56 Ca 0.57 -0.37 0.06 0.00 -0.52 0.00 0.00 57.07 56.80 1ua5 s TYR 56 Cb -0.11 -0.80 -0.01 0.00 0.38 0.00 0.00 41.96 41.42 1ua5 s TYR 56 CO 0.52 0.06 -0.24 -0.47 -1.52 0.00 0.00 175.55 173.90 1ua5 s TYR 57 N -0.90 2.33 -0.23 -3.49 6.14 -0.16 -0.87 117.35 120.17 1ua5 s TYR 57 Ca 0.03 -0.70 -0.01 0.00 0.64 0.00 0.00 57.07 57.03 1ua5 s TYR 57 Cb -0.08 -1.53 0.07 0.00 0.42 0.00 0.00 41.96 40.83 1ua5 s TYR 57 CO 0.02 -0.21 0.01 0.42 0.64 0.00 0.00 175.55 176.43 1ua5 s ILE 58 N -0.13 0.99 -0.50 3.14 1.01 -0.72 -0.73 121.20 124.26 1ua5 s ILE 58 Ca -0.04 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.67 1ua5 s ILE 58 Cb -0.13 -1.45 0.41 0.00 0.01 0.00 0.00 42.46 41.29 1ua5 s ILE 58 CO 0.04 -0.26 1.27 -0.67 0.00 0.00 0.00 174.94 175.32 1ua5 n ASP 59 N 4.86 5.20 -3.19 3.58 2.03 0.31 -1.92 116.55 127.42 1ua5 n ASP 59 Ca -0.09 -3.74 -0.05 0.00 0.52 0.00 0.00 54.79 51.43 1ua5 n ASP 59 Cb 0.45 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 1ua5 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ua5 n GLY 60 N -0.51 -0.34 0.00 0.27 0.00 -1.26 -3.45 105.19 99.91 1ua5 n GLY 60 Ca 0.42 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1ua5 n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ua5 n ASP 61 N 1.05 0.00 -4.61 1.61 -0.08 -1.26 -4.99 116.55 108.26 1ua5 n ASP 61 Ca -0.01 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.84 1ua5 n ASP 61 Cb 0.48 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.92 1ua5 n ASP 61 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1ua5 s VAL 62 N 0.00 3.98 -0.23 5.18 1.01 -1.22 -4.98 120.40 124.13 1ua5 s VAL 62 Ca 0.00 1.03 -0.00 0.00 0.00 0.00 0.00 61.98 63.01 1ua5 s VAL 62 Cb 0.00 -4.22 0.06 0.00 0.00 0.00 0.00 36.38 32.23 1ua5 s VAL 62 CO 0.00 -0.70 -0.02 -0.54 0.00 0.00 0.00 175.10 173.84 1ua5 s LYS 63 N 4.71 1.34 0.01 2.72 1.02 -1.26 -0.53 119.74 127.74 1ua5 s LYS 63 Ca 0.59 -0.90 0.07 0.00 0.02 0.00 0.00 55.97 55.75 1ua5 s LYS 63 Cb -0.14 -2.46 -0.02 0.00 -0.52 0.00 0.00 37.83 34.69 1ua5 s LYS 63 CO 0.30 -0.65 -0.21 -1.17 -0.92 0.00 0.00 175.35 172.71 1ua5 s LEU 64 N 1.50 2.10 0.43 3.17 2.96 0.09 -4.73 118.68 124.20 1ua5 s LEU 64 Ca -0.03 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.47 1ua5 s LEU 64 Cb -0.18 -1.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.45 1ua5 s LEU 64 CO -0.08 0.22 0.12 0.42 -1.32 0.00 0.00 176.35 175.70 1ua5 s THR 65 N -0.63 0.64 0.01 3.68 -4.23 -1.26 -0.99 115.64 112.86 1ua5 s THR 65 Ca 0.08 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 1ua5 s THR 65 Cb -0.08 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1ua5 s THR 65 CO 0.00 0.00 0.00 1.67 -0.54 0.00 0.00 174.62 175.75 1ua5 n GLN 66 N -0.99 -0.48 0.26 3.99 -0.06 -1.23 -4.53 117.38 114.34 1ua5 n GLN 66 Ca -0.08 0.80 0.09 0.00 -2.00 0.00 0.00 57.00 55.81 1ua5 n GLN 66 Cb 0.65 -0.64 0.67 0.00 -4.06 0.00 0.00 30.24 26.86 1ua5 n GLN 66 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1ua5 h SER 67 N 0.38 0.00 0.80 1.69 4.64 -1.92 -1.57 113.55 117.58 1ua5 h SER 67 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 1ua5 h SER 67 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1ua5 h SER 67 CO 0.00 0.03 -1.11 0.24 -0.87 0.00 0.00 176.83 175.12 1ua5 h MET 68 N 0.00 0.14 -0.49 4.77 2.86 -1.93 -1.67 114.93 118.62 1ua5 h MET 68 Ca -0.00 -0.24 -0.08 0.00 -2.06 0.00 0.00 59.70 57.33 1ua5 h MET 68 Cb 0.06 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 1ua5 h MET 68 CO 0.00 1.10 -0.01 0.00 1.06 0.00 0.00 176.91 179.07 1ua5 h ALA 69 N 0.80 1.07 -0.00 6.32 0.00 -1.57 -2.66 119.26 123.22 1ua5 h ALA 69 Ca -0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ua5 h ALA 69 Cb 1.85 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1ua5 h ALA 69 CO 0.17 0.58 -0.00 0.82 0.00 0.00 0.00 179.25 180.82 1ua5 h ILE 70 N 0.76 1.40 -0.84 0.00 2.04 -1.32 -1.74 117.51 117.81 1ua5 h ILE 70 Ca 0.14 -1.17 -0.03 0.00 1.00 0.00 0.00 64.86 64.80 1ua5 h ILE 70 Cb 0.48 2.19 -0.04 0.00 -0.74 0.00 0.00 36.82 38.71 1ua5 h ILE 70 CO 0.02 0.30 0.40 -0.29 0.00 0.00 0.00 178.15 178.59 1ua5 h ILE 71 N -0.49 1.26 -0.08 -0.67 2.10 -1.37 -2.42 117.51 115.83 1ua5 h ILE 71 Ca 0.00 -0.73 -0.10 0.00 1.08 0.00 0.00 64.86 65.11 1ua5 h ILE 71 Cb 0.50 0.18 -0.01 0.00 -1.09 0.00 0.00 36.82 36.40 1ua5 h ILE 71 CO 0.00 0.31 -0.39 0.03 -1.08 0.00 0.00 178.15 177.02 1ua5 h ARG 72 N 1.20 0.18 0.34 2.19 3.08 -1.49 -2.67 114.38 117.21 1ua5 h ARG 72 Ca 0.29 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 1ua5 h ARG 72 Cb 0.12 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1ua5 h ARG 72 CO -0.04 0.55 -0.17 -0.92 -1.07 0.00 0.00 179.97 178.32 1ua5 h TYR 73 N 0.15 -0.43 -0.73 3.04 3.20 -0.84 0.11 116.97 121.47 1ua5 h TYR 73 Ca 0.01 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.03 1ua5 h TYR 73 Cb 0.76 0.14 -0.11 0.00 1.54 0.00 0.00 36.73 39.07 1ua5 h TYR 73 CO 0.01 -0.09 0.18 0.82 -1.64 0.00 0.00 178.16 177.44 1ua5 h ILE 74 N -0.84 0.52 -0.72 1.81 2.04 -1.48 0.65 117.51 119.49 1ua5 h ILE 74 Ca -0.05 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1ua5 h ILE 74 Cb 0.53 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1ua5 h ILE 74 CO 0.08 0.05 0.32 0.00 0.00 0.00 0.00 178.15 178.59 1ua5 h ALA 75 N 1.61 0.93 -0.59 1.87 0.00 -1.41 -2.98 119.26 118.68 1ua5 h ALA 75 Ca 0.41 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.21 1ua5 h ALA 75 Cb 0.70 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1ua5 h ALA 75 CO -0.51 0.52 0.31 0.22 0.00 0.00 0.00 179.25 179.79 1ua5 h ASP 76 N 1.01 0.45 -0.02 0.00 1.82 0.13 -1.06 116.42 118.76 1ua5 h ASP 76 Ca 0.24 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.92 1ua5 h ASP 76 Cb 0.16 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.12 1ua5 h ASP 76 CO -0.03 0.30 0.05 0.11 -1.61 0.00 0.00 179.24 178.07 1ua5 h LYS 77 N 0.58 0.00 -0.41 0.28 1.79 -0.83 -0.34 116.57 117.65 1ua5 h LYS 77 Ca 0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 1ua5 h LYS 77 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1ua5 h LYS 77 CO -0.17 0.00 0.00 0.72 -1.08 0.00 0.00 179.45 178.92 1ua5 n HIS 78 N -3.27 0.57 -3.34 -1.35 8.25 -0.71 -5.00 115.22 110.37 1ua5 n HIS 78 Ca -0.03 -0.51 -0.18 0.00 -0.26 0.00 0.00 57.72 56.74 1ua5 n HIS 78 Cb 0.13 -0.03 0.07 0.00 1.12 0.00 0.00 29.99 31.27 1ua5 n HIS 78 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1ua5 n ASN 79 N 0.67 -4.40 -0.55 0.41 3.02 -0.14 -4.95 115.26 109.33 1ua5 n ASN 79 Ca 0.14 -0.47 0.05 0.00 -0.03 0.00 0.00 54.58 54.26 1ua5 n ASN 79 Cb 0.48 -4.32 0.13 0.00 -0.61 0.00 0.00 39.78 35.45 1ua5 n ASN 79 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1ua5 n MET 80 N -4.04 2.75 0.10 3.52 2.81 -0.50 -4.65 117.12 117.11 1ua5 n MET 80 Ca -0.08 -1.93 0.12 0.00 -1.81 0.00 0.00 57.70 54.00 1ua5 n MET 80 Cb 0.58 -1.23 0.06 0.00 -0.71 0.00 0.00 33.22 31.92 1ua5 n MET 80 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1ua5 h LEU 81 N 1.76 0.00 0.00 4.03 3.38 -1.91 -3.45 115.31 119.12 1ua5 h LEU 81 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1ua5 h LEU 81 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1ua5 h LEU 81 CO 0.00 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.18 1ua5 n GLY 82 N 1.22 4.11 0.22 0.83 0.00 -1.26 -3.96 105.19 106.36 1ua5 n GLY 82 Ca 0.01 -1.39 0.12 0.00 0.00 0.00 0.00 46.02 44.76 1ua5 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ua5 n GLY 83 N -1.23 -0.63 3.40 -0.02 0.00 -1.26 -4.72 105.19 100.73 1ua5 n GLY 83 Ca 0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 1ua5 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ua5 h PRO 85 N 2.42 0.19 -0.03 0.00 0.11 -1.99 -1.71 132.00 130.99 1ua5 h PRO 85 Ca -0.31 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.81 1ua5 h PRO 85 Cb 1.24 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1ua5 h PRO 85 CO 0.44 0.12 -0.05 -0.22 -0.21 0.00 0.00 178.00 178.08 1ua5 h LYS 86 N 0.19 -0.08 -0.17 1.05 3.64 -1.99 -1.68 116.57 117.53 1ua5 h LYS 86 Ca 0.58 0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.81 1ua5 h LYS 86 Cb 1.21 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1ua5 h LYS 86 CO -0.68 -0.05 -0.56 1.49 -2.27 0.00 0.00 179.45 177.38 1ua5 h GLU 87 N -0.08 0.53 -0.60 1.90 4.81 -1.83 -2.23 114.58 117.07 1ua5 h GLU 87 Ca 0.03 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1ua5 h GLU 87 Cb 0.13 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1ua5 h GLU 87 CO -0.08 0.95 0.38 0.00 -0.73 0.00 0.00 179.01 179.53 1ua5 h ARG 88 N 0.41 0.80 0.01 1.92 3.08 -1.16 -2.20 114.38 117.25 1ua5 h ARG 88 Ca 0.01 -0.06 -0.22 0.00 0.07 0.00 0.00 59.98 59.78 1ua5 h ARG 88 Cb 1.10 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 1ua5 h ARG 88 CO 0.10 0.55 -1.04 0.00 -1.07 0.00 0.00 179.97 178.51 1ua5 h ALA 89 N 1.60 0.34 -0.39 0.04 0.00 -0.97 -2.15 119.26 117.72 1ua5 h ALA 89 Ca 0.22 -0.92 -0.05 0.00 0.00 0.00 0.00 54.91 54.16 1ua5 h ALA 89 Cb -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1ua5 h ALA 89 CO -0.04 1.23 0.05 0.93 0.00 0.00 0.00 179.25 181.42 1ua5 h GLU 90 N 0.01 0.65 -0.51 0.00 5.08 -1.19 0.41 114.58 119.02 1ua5 h GLU 90 Ca -0.03 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1ua5 h GLU 90 Cb 1.80 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.95 1ua5 h GLU 90 CO 0.14 0.71 0.32 0.82 -1.00 0.00 0.00 179.01 180.00 1ua5 h ILE 91 N 0.49 1.15 0.00 3.13 2.04 -1.41 0.33 117.51 123.23 1ua5 h ILE 91 Ca 0.12 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1ua5 h ILE 91 Cb 0.39 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1ua5 h ILE 91 CO 0.01 0.15 -0.20 0.28 0.00 0.00 0.00 178.15 178.39 1ua5 h SER 92 N 0.69 0.00 -0.03 1.72 0.02 -1.14 -0.39 113.55 114.42 1ua5 h SER 92 Ca 0.19 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 1ua5 h SER 92 Cb -0.03 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.52 1ua5 h SER 92 CO -0.04 0.20 -0.31 -0.03 -1.14 0.00 0.00 176.83 175.51 1ua5 h MET 93 N 0.00 0.27 -0.13 3.45 1.85 -0.45 -2.42 114.93 117.49 1ua5 h MET 93 Ca -0.00 -0.25 0.04 0.00 -0.61 0.00 0.00 59.70 58.88 1ua5 h MET 93 Cb 0.43 0.06 -0.04 0.00 0.43 0.00 0.00 31.60 32.47 1ua5 h MET 93 CO 0.03 0.92 -0.13 -0.07 -0.40 0.00 0.00 176.91 177.26 1ua5 h LEU 94 N -0.30 -0.42 -0.72 3.39 4.07 -0.58 -1.82 115.31 118.94 1ua5 h LEU 94 Ca -0.03 0.08 0.07 0.00 0.08 0.00 0.00 57.88 58.08 1ua5 h LEU 94 Cb 1.01 0.21 -0.10 0.00 1.08 0.00 0.00 40.66 42.85 1ua5 h LEU 94 CO 0.06 -0.18 -0.58 -0.08 -1.08 0.00 0.00 178.44 176.59 1ua5 h GLU 95 N -0.16 -0.18 0.00 1.13 4.81 -1.13 -2.17 114.58 116.87 1ua5 h GLU 95 Ca 0.09 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 1ua5 h GLU 95 Cb 0.30 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1ua5 h GLU 95 CO -0.23 -0.12 -0.49 0.78 -0.73 0.00 0.00 179.01 178.22 1ua5 h GLY 96 N -0.19 0.00 1.77 1.92 0.00 -1.15 -2.17 103.07 103.25 1ua5 h GLY 96 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.30 1ua5 h GLY 96 CO -0.78 0.00 -0.63 0.00 0.00 0.00 0.00 176.54 175.13 1ua5 h ALA 97 N 1.51 0.81 -0.36 3.60 0.00 -1.07 -2.14 119.26 121.62 1ua5 h ALA 97 Ca -0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.23 1ua5 h ALA 97 Cb 0.93 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1ua5 h ALA 97 CO 0.06 0.75 -0.20 0.28 0.00 0.00 0.00 179.25 180.14 1ua5 h VAL 98 N 0.17 1.29 -0.13 0.00 2.07 -1.09 -3.03 116.25 115.53 1ua5 h VAL 98 Ca -0.01 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 1ua5 h VAL 98 Cb 1.15 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1ua5 h VAL 98 CO 0.10 0.44 0.02 -0.07 0.02 0.00 0.00 177.57 178.07 1ua5 h LEU 99 N 0.55 0.16 -1.02 2.57 4.07 -1.19 -1.59 115.31 118.87 1ua5 h LEU 99 Ca 0.08 -0.01 0.09 0.00 0.08 0.00 0.00 57.88 58.11 1ua5 h LEU 99 Cb 0.75 -0.04 -0.07 0.00 1.08 0.00 0.00 40.66 42.38 1ua5 h LEU 99 CO 0.06 0.18 0.64 0.44 -1.08 0.00 0.00 178.44 178.69 1ua5 h ASP 100 N 0.18 1.00 0.08 -0.43 3.32 -1.26 0.16 116.42 119.47 1ua5 h ASP 100 Ca 0.05 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1ua5 h ASP 100 Cb 0.10 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1ua5 h ASP 100 CO -0.00 0.60 -0.04 0.40 -1.72 0.00 0.00 179.24 178.48 1ua5 h ILE 101 N 1.11 1.18 -0.15 0.35 2.04 -1.39 -2.35 117.51 118.30 1ua5 h ILE 101 Ca 0.46 -1.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 1ua5 h ILE 101 Cb 0.29 1.93 -0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1ua5 h ILE 101 CO -0.21 0.28 -0.02 -0.09 0.00 0.00 0.00 178.15 178.11 1ua5 h ARG 102 N -0.68 0.28 -0.07 2.37 9.65 -1.07 -1.69 114.38 123.17 1ua5 h ARG 102 Ca -0.01 -0.10 -0.07 0.00 -1.10 0.00 0.00 59.98 58.69 1ua5 h ARG 102 Cb 0.55 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 1ua5 h ARG 102 CO 0.02 0.55 -0.29 1.88 2.80 0.00 0.00 179.97 184.93 1ua5 h TYR 103 N -0.01 0.15 -0.88 2.20 0.05 -0.87 -2.14 116.97 115.46 1ua5 h TYR 103 Ca 0.04 -0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.85 1ua5 h TYR 103 Cb 0.44 -0.04 -0.06 0.00 1.01 0.00 0.00 36.73 38.08 1ua5 h TYR 103 CO 0.05 0.42 0.58 0.78 -1.05 0.00 0.00 178.16 178.93 1ua5 h GLY 104 N 0.97 1.28 0.32 3.88 0.00 -0.85 0.16 103.07 108.83 1ua5 h GLY 104 Ca 0.02 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1ua5 h GLY 104 CO 0.04 0.31 -0.03 -2.08 0.00 0.00 0.00 176.54 174.79 1ua5 h VAL 105 N 1.02 1.29 -0.54 4.60 2.07 -1.09 -3.31 116.25 120.29 1ua5 h VAL 105 Ca 0.37 -1.45 0.05 0.00 0.82 0.00 0.00 66.70 66.49 1ua5 h VAL 105 Cb 0.17 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1ua5 h VAL 105 CO -0.13 0.35 0.36 0.28 0.02 0.00 0.00 177.57 178.44 1ua5 h SER 106 N -0.76 0.48 0.91 0.57 0.02 -1.09 -1.87 113.55 111.81 1ua5 h SER 106 Ca -0.01 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1ua5 h SER 106 Cb 0.62 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1ua5 h SER 106 CO 0.01 0.32 -0.21 0.08 -1.14 0.00 0.00 176.83 175.90 1ua5 h ARG 107 N 0.55 0.00 0.00 3.45 0.11 -0.78 -3.05 114.38 114.67 1ua5 h ARG 107 Ca 0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.31 1ua5 h ARG 107 Cb 0.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.28 1ua5 h ARG 107 CO -0.06 0.21 -1.20 0.44 0.10 0.00 0.00 179.97 179.46 1ua5 n ILE 108 N -3.38 0.00 0.26 0.08 -5.35 -0.89 -4.71 119.36 105.37 1ua5 n ILE 108 Ca 0.00 -0.19 0.15 0.00 -0.27 0.00 0.00 62.75 62.44 1ua5 n ILE 108 Cb 0.41 0.68 0.60 0.00 -1.74 0.00 0.00 39.64 39.60 1ua5 n ILE 108 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ua5 h ALA 109 N 2.27 1.01 -0.02 -1.28 0.00 -1.24 -2.61 119.26 117.39 1ua5 h ALA 109 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ua5 h ALA 109 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ua5 h ALA 109 CO 0.00 0.07 -0.08 0.66 0.00 0.00 0.00 179.25 179.90 1ua5 n TYR 110 N -3.17 0.00 -2.51 0.00 4.02 -1.26 -0.21 117.16 114.03 1ua5 n TYR 110 Ca 0.01 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.52 1ua5 n TYR 110 Cb 0.35 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.63 1ua5 n TYR 110 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1ua5 s SER 111 N -1.72 6.89 0.46 7.72 0.15 -0.98 -4.72 113.70 121.49 1ua5 s SER 111 Ca 0.21 2.13 0.12 0.00 0.70 0.00 0.00 55.95 59.11 1ua5 s SER 111 Cb 0.16 -2.60 1.05 0.00 -1.71 0.00 0.00 66.02 62.92 1ua5 s SER 111 CO 0.29 -0.40 2.07 0.07 1.20 0.00 0.00 173.24 176.47 1ua5 h LYS 112 N 2.91 0.31 -0.83 5.44 2.10 -1.94 -2.64 116.57 121.92 1ua5 h LYS 112 Ca -0.48 -0.02 -0.14 0.00 -2.00 0.00 0.00 60.65 58.01 1ua5 h LYS 112 Cb 1.22 -0.07 -0.08 0.00 -0.90 0.00 0.00 32.23 32.39 1ua5 h LYS 112 CO 0.64 0.20 0.18 -0.25 -2.00 0.00 0.00 179.45 178.22 1ua5 n ASP 113 N -4.49 3.94 -0.22 7.07 8.00 -1.26 -4.66 116.55 124.94 1ua5 n ASP 113 Ca 0.03 -2.82 0.02 0.00 0.71 0.00 0.00 54.79 52.74 1ua5 n ASP 113 Cb 0.16 -0.67 0.13 0.00 -0.02 0.00 0.00 41.12 40.72 1ua5 n ASP 113 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1ua5 h PHE 114 N 1.91 0.11 -0.68 1.24 3.57 -1.68 -2.08 116.94 119.33 1ua5 h PHE 114 Ca 0.17 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 1ua5 h PHE 114 Cb 1.81 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 40.58 1ua5 h PHE 114 CO 0.88 -0.11 0.28 1.49 -2.23 0.00 0.00 178.31 178.61 1ua5 h GLU 115 N 0.19 0.99 0.08 1.11 4.57 -1.88 0.13 114.58 119.77 1ua5 h GLU 115 Ca 0.35 -0.16 -0.25 0.00 -1.18 0.00 0.00 59.36 58.12 1ua5 h GLU 115 Cb 0.58 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1ua5 h GLU 115 CO -0.50 0.81 -1.12 1.79 -1.18 0.00 0.00 179.01 178.81 1ua5 h THR 116 N 0.98 1.52 -0.03 0.32 1.35 -1.86 -3.27 112.91 111.91 1ua5 h THR 116 Ca 0.23 -2.97 -0.09 0.00 -0.55 0.00 0.00 66.41 63.03 1ua5 h THR 116 Cb 0.18 2.80 -0.01 0.00 -1.73 0.00 0.00 68.15 69.38 1ua5 h THR 116 CO -0.02 0.87 -0.40 -0.07 -0.25 0.00 0.00 175.52 175.64 1ua5 h LEU 117 N 0.09 0.07 -0.86 3.87 -0.00 -0.91 -2.68 115.31 114.89 1ua5 h LEU 117 Ca -0.10 -0.03 0.10 0.00 -0.00 0.00 0.00 57.88 57.86 1ua5 h LEU 117 Cb 1.82 -0.02 -0.08 0.00 -0.00 0.00 0.00 40.66 42.39 1ua5 h LEU 117 CO 0.18 0.47 0.50 0.50 -0.00 0.00 0.00 178.44 180.09 1ua5 h LYS 118 N 0.06 0.80 -0.42 1.13 3.64 -0.81 -2.39 116.57 118.59 1ua5 h LYS 118 Ca 0.00 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1ua5 h LYS 118 Cb 0.74 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1ua5 h LYS 118 CO 0.06 0.53 0.23 0.28 -2.27 0.00 0.00 179.45 178.27 1ua5 h VAL 119 N 0.83 1.15 0.00 2.00 2.07 -1.57 -1.83 116.25 118.90 1ua5 h VAL 119 Ca 0.42 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 1ua5 h VAL 119 Cb 0.40 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1ua5 h VAL 119 CO -0.26 0.16 -0.42 0.44 0.02 0.00 0.00 177.57 177.52 1ua5 h ASP 120 N 0.54 0.00 -0.03 0.57 5.19 -1.56 -2.40 116.42 118.73 1ua5 h ASP 120 Ca 0.15 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.37 1ua5 h ASP 120 Cb 0.05 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.58 1ua5 h ASP 120 CO -0.02 0.42 -0.71 0.15 -3.12 0.00 0.00 179.24 175.96 1ua5 h PHE 121 N 0.00 0.77 0.00 4.55 3.57 -1.13 -3.16 116.94 121.55 1ua5 h PHE 121 Ca -0.00 -0.40 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1ua5 h PHE 121 Cb 0.82 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1ua5 h PHE 121 CO 0.00 1.22 0.00 -0.07 -2.23 0.00 0.00 178.31 177.23 1ua5 h LEU 122 N 0.11 0.00 -0.25 0.59 3.38 -1.28 -1.33 115.31 116.54 1ua5 h LEU 122 Ca -0.08 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 1ua5 h LEU 122 Cb 1.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 1ua5 h LEU 122 CO 0.14 0.00 -0.38 -1.28 0.09 0.00 0.00 178.44 177.01 1ua5 h SER 123 N 0.00 0.77 0.36 -0.43 0.87 -1.48 -3.30 113.55 110.35 1ua5 h SER 123 Ca 0.00 -0.52 -0.16 0.00 -1.23 0.00 0.00 61.79 59.88 1ua5 h SER 123 Cb 0.52 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1ua5 h SER 123 CO 0.00 1.14 -0.68 0.11 -0.53 0.00 0.00 176.83 176.87 1ua5 h LYS 124 N 0.42 0.28 -0.78 2.24 1.57 -1.44 -3.39 116.57 115.48 1ua5 h LYS 124 Ca 0.02 -0.22 0.04 0.00 -1.87 0.00 0.00 60.65 58.62 1ua5 h LYS 124 Cb 0.98 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.28 1ua5 h LYS 124 CO 0.09 0.86 0.51 1.25 -0.57 0.00 0.00 179.45 181.59 1ua5 h LEU 125 N 0.20 0.81 -1.02 2.94 5.85 -1.33 -2.13 115.31 120.64 1ua5 h LEU 125 Ca -0.02 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.78 1ua5 h LEU 125 Cb 1.22 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.99 1ua5 h LEU 125 CO 0.11 0.55 0.64 -0.65 -0.34 0.00 0.00 178.44 178.75 1ua5 h PRO 126 N 0.93 1.08 -0.93 5.25 0.11 -1.76 -0.17 132.00 136.51 1ua5 h PRO 126 Ca 0.31 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.35 1ua5 h PRO 126 Cb 0.08 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 30.90 1ua5 h PRO 126 CO -0.09 0.71 0.55 0.93 -0.21 0.00 0.00 178.00 179.89 1ua5 h GLU 127 N 1.11 1.27 -0.15 1.05 5.08 -1.66 -1.28 114.58 119.99 1ua5 h GLU 127 Ca 0.45 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.64 1ua5 h GLU 127 Cb 0.28 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1ua5 h GLU 127 CO -0.20 0.90 -0.10 0.52 -1.00 0.00 0.00 179.01 179.13 1ua5 h MET 128 N 1.29 0.34 -0.10 2.33 2.86 -1.45 -3.11 114.93 117.09 1ua5 h MET 128 Ca 0.33 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.74 1ua5 h MET 128 Cb -0.04 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1ua5 h MET 128 CO -0.06 0.68 -0.30 -0.07 1.06 0.00 0.00 176.91 178.22 1ua5 h LEU 129 N -0.00 0.19 -1.39 1.22 3.38 -0.95 -2.91 115.31 114.84 1ua5 h LEU 129 Ca 0.03 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1ua5 h LEU 129 Cb 0.59 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1ua5 h LEU 129 CO 0.03 0.49 -0.02 0.50 0.09 0.00 0.00 178.44 179.52 1ua5 h LYS 130 N 0.17 0.37 -0.55 1.13 3.64 -1.17 -0.86 116.57 119.30 1ua5 h LYS 130 Ca 0.02 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1ua5 h LYS 130 Cb 0.62 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1ua5 h LYS 130 CO 0.04 0.42 0.19 0.52 -2.27 0.00 0.00 179.45 178.36 1ua5 h MET 131 N 0.36 0.85 -0.14 1.90 2.86 -1.46 -1.28 114.93 118.02 1ua5 h MET 131 Ca 0.08 -0.17 -0.12 0.00 -2.06 0.00 0.00 59.70 57.43 1ua5 h MET 131 Cb 0.28 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1ua5 h MET 131 CO 0.01 0.76 -0.44 0.74 1.06 0.00 0.00 176.91 179.04 1ua5 h PHE 132 N 0.77 0.41 -0.44 -0.22 0.04 -1.49 -1.79 116.94 114.21 1ua5 h PHE 132 Ca 0.18 -0.12 -0.12 0.00 2.80 0.00 0.00 57.97 60.71 1ua5 h PHE 132 Cb 0.25 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1ua5 h PHE 132 CO 0.01 0.73 -0.21 1.49 -0.60 0.00 0.00 178.31 179.73 1ua5 h GLU 133 N 0.28 0.89 -0.20 1.51 4.57 -0.90 -2.19 114.58 118.54 1ua5 h GLU 133 Ca 0.02 -0.37 -0.09 0.00 -1.18 0.00 0.00 59.36 57.75 1ua5 h GLU 133 Cb 0.89 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1ua5 h GLU 133 CO 0.07 1.01 -0.22 -0.44 -1.18 0.00 0.00 179.01 178.26 1ua5 h ASP 134 N 0.77 0.54 -0.93 1.04 3.32 -1.17 -3.17 116.42 116.83 1ua5 h ASP 134 Ca 0.10 -0.49 0.06 0.00 0.02 0.00 0.00 57.03 56.73 1ua5 h ASP 134 Cb 0.76 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 40.09 1ua5 h ASP 134 CO 0.06 0.92 0.60 -0.09 -1.72 0.00 0.00 179.24 179.01 1ua5 h ARG 135 N 0.18 1.03 -0.97 3.56 2.43 -1.24 -2.29 114.38 117.07 1ua5 h ARG 135 Ca 0.03 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 1ua5 h ARG 135 Cb 0.77 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 30.04 1ua5 h ARG 135 CO 0.05 0.68 0.11 1.28 -1.51 0.00 0.00 179.97 180.59 1ua5 n LEU 136 N -4.49 3.38 0.04 3.80 4.77 -0.83 -4.42 117.00 119.24 1ua5 n LEU 136 Ca 0.14 -1.73 -0.03 0.00 -0.03 0.00 0.00 56.01 54.36 1ua5 n LEU 136 Cb 0.19 -0.57 -0.01 0.00 -2.33 0.00 0.00 43.42 40.70 1ua5 n LEU 136 CO 0.33 0.55 0.09 0.00 -1.33 0.00 0.00 177.39 177.02 1ua5 n HIS 138 N -4.17 3.52 -3.20 0.00 8.25 -1.26 -4.99 115.22 113.38 1ua5 n HIS 138 Ca -0.02 -4.16 0.05 0.00 -0.26 0.00 0.00 57.72 53.32 1ua5 n HIS 138 Cb 0.07 -0.73 -0.02 0.00 1.12 0.00 0.00 29.99 30.43 1ua5 n HIS 138 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1ua5 s LYS 139 N -1.83 0.18 0.07 -0.41 2.20 -1.26 -5.05 119.74 113.63 1ua5 s LYS 139 Ca 0.30 0.35 -0.26 0.00 -0.36 0.00 0.00 55.97 56.01 1ua5 s LYS 139 Cb 0.02 0.20 -0.17 0.00 -1.51 0.00 0.00 37.83 36.37 1ua5 s LYS 139 CO -0.10 -0.15 1.62 1.15 -0.36 0.00 0.00 175.35 177.51 1ua5 h THR 140 N 5.31 0.86 -0.76 3.43 2.02 -1.89 -3.42 112.91 118.47 1ua5 h THR 140 Ca -0.14 -0.17 -0.59 0.00 0.77 0.00 0.00 66.41 66.29 1ua5 h THR 140 Cb 1.16 0.97 -0.06 0.00 -1.74 0.00 0.00 68.15 68.47 1ua5 h THR 140 CO -0.05 0.04 -0.36 -0.31 0.37 0.00 0.00 175.52 175.20 1ua5 s TYR 141 N -5.82 1.88 0.33 3.16 2.02 -0.23 -4.97 117.35 113.71 1ua5 s TYR 141 Ca -0.14 -0.79 0.05 0.00 -0.37 0.00 0.00 57.07 55.82 1ua5 s TYR 141 Cb 0.05 -1.90 0.70 0.00 -0.40 0.00 0.00 41.96 40.40 1ua5 s TYR 141 CO 0.64 -0.27 1.88 -0.07 -1.57 0.00 0.00 175.55 176.17 1ua5 h LEU 142 N 0.94 0.76 -3.37 -1.29 4.07 -1.86 -2.82 115.31 111.74 1ua5 h LEU 142 Ca -0.39 0.03 -0.05 0.00 0.08 0.00 0.00 57.88 57.55 1ua5 h LEU 142 Cb 1.29 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.88 1ua5 h LEU 142 CO 0.61 0.43 0.03 -3.20 -1.08 0.00 0.00 178.44 175.23 1ua5 n ASN 143 N -4.54 4.04 0.00 -0.43 5.15 -1.26 -4.96 115.26 113.26 1ua5 n ASN 143 Ca 0.16 -3.14 0.00 0.00 -0.60 0.00 0.00 54.58 51.00 1ua5 n ASN 143 Cb 0.36 -0.60 0.00 0.00 -0.53 0.00 0.00 39.78 39.00 1ua5 n ASN 143 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ua5 n GLY 144 N -0.42 0.61 0.09 8.20 0.00 -1.07 -4.66 105.19 107.94 1ua5 n GLY 144 Ca 0.26 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.68 1ua5 n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ua5 n ASP 145 N 0.00 0.59 -4.37 1.61 8.00 -1.26 -1.07 116.55 120.05 1ua5 n ASP 145 Ca 0.00 0.58 -0.31 0.00 0.71 0.00 0.00 54.79 55.77 1ua5 n ASP 145 Cb 0.00 -0.73 -0.15 0.00 -0.02 0.00 0.00 41.12 40.22 1ua5 n ASP 145 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1ua5 s HIS 146 N -3.13 2.43 0.26 1.24 3.76 -1.26 -4.84 115.29 113.74 1ua5 s HIS 146 Ca 0.09 -0.36 -0.31 0.00 -0.15 0.00 0.00 55.06 54.34 1ua5 s HIS 146 Cb 0.12 -1.50 -0.13 0.00 1.11 0.00 0.00 32.58 32.18 1ua5 s HIS 146 CO 0.51 0.07 1.36 0.28 -0.85 0.00 0.00 174.74 176.11 1ua5 n VAL 147 N 2.18 1.18 -4.45 -0.90 0.31 -1.26 -4.47 118.33 110.92 1ua5 n VAL 147 Ca -0.16 -0.30 -0.22 0.00 -0.01 0.00 0.00 64.34 63.65 1ua5 n VAL 147 Cb 0.52 -1.45 -0.10 0.00 -0.91 0.00 0.00 33.84 31.89 1ua5 n VAL 147 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1ua5 s THR 148 N -0.29 1.09 0.42 2.52 -4.23 -1.26 -5.06 115.64 108.83 1ua5 s THR 148 Ca 0.66 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.28 1ua5 s THR 148 Cb -0.64 -2.73 0.20 0.00 1.34 0.00 0.00 72.50 70.66 1ua5 s THR 148 CO 0.52 0.00 1.99 1.12 -0.54 0.00 0.00 174.62 177.71 1ua5 h HIS 149 N 2.09 0.21 0.00 3.99 2.07 -1.96 -1.80 115.15 119.74 1ua5 h HIS 149 Ca -0.40 -0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.11 1ua5 h HIS 149 Cb 1.25 -0.06 -0.00 0.00 2.57 0.00 0.00 27.41 31.16 1ua5 h HIS 149 CO 0.67 0.27 -0.00 -1.35 -3.07 0.00 0.00 177.93 174.45 1ua5 h PRO 150 N 0.20 0.00 -0.66 5.12 0.11 -1.96 -2.12 132.00 132.68 1ua5 h PRO 150 Ca 0.05 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.19 1ua5 h PRO 150 Cb 0.24 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.30 1ua5 h PRO 150 CO 0.01 0.00 0.41 -0.44 -0.21 0.00 0.00 178.00 177.77 1ua5 h ASP 151 N 0.00 0.66 0.55 -2.05 3.32 -1.74 -0.69 116.42 116.47 1ua5 h ASP 151 Ca -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1ua5 h ASP 151 Cb 0.12 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1ua5 h ASP 151 CO 0.00 0.46 -0.76 -0.26 -1.72 0.00 0.00 179.24 176.96 1ua5 h PHE 152 N 0.80 0.23 -0.90 4.55 0.04 -1.55 -0.73 116.94 119.38 1ua5 h PHE 152 Ca 0.27 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.93 1ua5 h PHE 152 Cb 0.03 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 1ua5 h PHE 152 CO -0.05 0.86 0.58 0.52 -0.60 0.00 0.00 178.31 179.61 1ua5 h MET 153 N 0.10 1.19 -0.13 1.51 2.86 -1.36 -1.94 114.93 117.16 1ua5 h MET 153 Ca -0.02 -0.08 -0.12 0.00 -2.06 0.00 0.00 59.70 57.41 1ua5 h MET 153 Cb 1.34 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1ua5 h MET 153 CO 0.11 0.81 -0.41 1.25 1.06 0.00 0.00 176.91 179.73 1ua5 h LEU 154 N 1.22 0.58 -0.63 1.22 6.46 -0.91 -2.33 115.31 120.93 1ua5 h LEU 154 Ca 0.33 -0.60 0.10 0.00 -0.12 0.00 0.00 57.88 57.58 1ua5 h LEU 154 Cb -0.11 -0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 39.58 1ua5 h LEU 154 CO -0.07 1.08 0.24 0.22 -0.62 0.00 0.00 178.44 179.30 1ua5 h TYR 155 N 0.11 0.42 -0.37 1.25 3.20 -1.06 0.14 116.97 120.66 1ua5 h TYR 155 Ca -0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1ua5 h TYR 155 Cb 1.03 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 1ua5 h TYR 155 CO 0.11 0.11 0.14 0.22 -1.64 0.00 0.00 178.16 177.09 1ua5 h ASP 156 N 0.43 0.52 -0.43 -2.11 3.58 -1.29 -1.51 116.42 115.59 1ua5 h ASP 156 Ca 0.32 -0.18 -0.07 0.00 0.42 0.00 0.00 57.03 57.52 1ua5 h ASP 156 Cb 0.40 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 1ua5 h ASP 156 CO -0.31 0.55 0.02 0.00 -2.88 0.00 0.00 179.24 176.63 1ua5 h ALA 157 N 0.98 1.10 -0.22 -0.78 0.00 -0.83 -1.82 119.26 117.70 1ua5 h ALA 157 Ca 0.12 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1ua5 h ALA 157 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ua5 h ALA 157 CO -0.01 0.58 -0.03 -0.07 0.00 0.00 0.00 179.25 179.72 1ua5 h LEU 158 N 0.77 0.40 -0.35 0.00 3.38 -0.75 -1.53 115.31 117.23 1ua5 h LEU 158 Ca 0.15 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 57.85 1ua5 h LEU 158 Cb 0.43 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.99 1ua5 h LEU 158 CO 0.02 0.65 -0.23 -0.78 0.09 0.00 0.00 178.44 178.19 1ua5 h ASP 159 N 0.14 -0.78 0.22 -0.43 3.58 -1.12 -0.84 116.42 117.20 1ua5 h ASP 159 Ca 0.06 0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 1ua5 h ASP 159 Cb 0.47 0.39 0.00 0.00 1.72 0.00 0.00 39.33 41.91 1ua5 h ASP 159 CO 0.02 -0.26 -0.11 0.58 -2.88 0.00 0.00 179.24 176.59 1ua5 h VAL 160 N -0.19 0.82 0.00 2.25 2.07 -1.31 -2.99 116.25 116.90 1ua5 h VAL 160 Ca 0.18 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1ua5 h VAL 160 Cb 0.46 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1ua5 h VAL 160 CO -0.46 0.05 -0.03 1.62 0.02 0.00 0.00 177.57 178.76 1ua5 h VAL 161 N -0.41 0.18 0.00 2.57 3.04 -1.13 -1.97 116.25 118.54 1ua5 h VAL 161 Ca -0.03 -0.28 -0.05 0.00 -1.01 0.00 0.00 66.70 65.33 1ua5 h VAL 161 Cb 0.31 1.23 -0.01 0.00 -2.01 0.00 0.00 31.29 30.81 1ua5 h VAL 161 CO 0.05 0.03 -0.25 -0.07 -1.01 0.00 0.00 177.57 176.32 1ua5 h LEU 162 N 0.00 0.00 -0.21 3.16 -0.00 -1.00 -2.28 115.31 114.97 1ua5 h LEU 162 Ca -0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.72 1ua5 h LEU 162 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 1ua5 h LEU 162 CO 0.00 0.25 -0.51 1.88 -0.00 0.00 0.00 178.44 180.07 1ua5 h TYR 163 N 0.00 0.92 -0.54 1.13 0.05 -1.33 -2.48 116.97 114.72 1ua5 h TYR 163 Ca -0.00 -0.35 -0.00 0.00 0.05 0.00 0.00 58.73 58.43 1ua5 h TYR 163 Cb 1.13 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 38.67 1ua5 h TYR 163 CO 0.00 1.14 0.34 1.98 -1.05 0.00 0.00 178.16 180.57 1ua5 h MET 164 N 0.44 0.73 -1.08 4.88 4.05 -1.39 -3.41 114.93 119.15 1ua5 h MET 164 Ca -0.00 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 1ua5 h MET 164 Cb 1.12 -0.16 -0.21 0.00 -0.80 0.00 0.00 31.60 31.54 1ua5 h MET 164 CO 0.11 0.50 -0.41 0.34 0.23 0.00 0.00 176.91 177.68 1ua5 s ASP 165 N -6.56 -1.39 0.40 1.39 2.15 -0.87 -5.03 116.67 106.75 1ua5 s ASP 165 Ca -0.09 -0.05 0.23 0.00 0.43 0.00 0.00 52.55 53.06 1ua5 s ASP 165 Cb 0.17 1.92 1.25 0.00 -0.30 0.00 0.00 42.92 45.96 1ua5 s ASP 165 CO 0.76 -0.28 1.67 -0.65 -0.17 0.00 0.00 175.17 176.49 1ua5 h PRO 166 N 7.83 0.00 -0.35 4.34 0.11 -1.68 -2.40 132.00 139.86 1ua5 h PRO 166 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1ua5 h PRO 166 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ua5 h PRO 166 CO 0.15 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 176.61 1ua5 n MET 167 N -2.36 2.29 0.00 1.05 2.81 -1.26 -4.65 117.12 115.00 1ua5 n MET 167 Ca -0.02 -2.10 0.09 0.00 -1.81 0.00 0.00 57.70 53.86 1ua5 n MET 167 Cb 0.16 -1.42 0.44 0.00 -0.71 0.00 0.00 33.22 31.68 1ua5 n MET 167 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ua5 n LEU 169 N -1.34 2.41 0.28 0.00 4.32 -1.26 -4.67 117.00 116.74 1ua5 n LEU 169 Ca 0.08 -1.42 0.17 0.00 -0.02 0.00 0.00 56.01 54.81 1ua5 n LEU 169 Cb 0.16 -0.10 0.71 0.00 -1.62 0.00 0.00 43.42 42.56 1ua5 n LEU 169 CO 0.15 0.53 0.99 0.44 -1.22 0.00 0.00 177.39 178.27 1ua5 h ASP 170 N 2.27 0.00 -0.14 -1.43 3.32 -1.77 -1.50 116.42 117.15 1ua5 h ASP 170 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ua5 h ASP 170 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1ua5 h ASP 170 CO 0.00 0.04 0.00 0.00 -1.72 0.00 0.00 179.24 177.56 1ua5 n ALA 171 N -2.12 2.51 -3.27 3.45 0.00 -1.26 -4.71 120.51 115.12 1ua5 n ALA 171 Ca 0.00 -0.60 -0.25 0.00 0.00 0.00 0.00 53.44 52.59 1ua5 n ALA 171 Cb 0.30 -1.04 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 1ua5 n ALA 171 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ua5 n PHE 172 N 0.59 0.33 -0.34 0.00 3.72 -0.57 -4.98 117.46 116.21 1ua5 n PHE 172 Ca 0.17 -3.65 -0.01 0.00 -0.05 0.00 0.00 57.45 53.92 1ua5 n PHE 172 Cb 0.41 -0.33 0.13 0.00 -0.94 0.00 0.00 39.48 38.75 1ua5 n PHE 172 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1ua5 h PRO 173 N 4.24 1.13 0.00 -1.08 0.13 -1.84 -1.86 132.00 132.71 1ua5 h PRO 173 Ca 0.11 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 65.15 1ua5 h PRO 173 Cb 0.84 -0.25 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 1ua5 h PRO 173 CO 0.52 0.75 -0.13 0.87 -0.23 0.00 0.00 178.00 179.78 1ua5 h LYS 174 N 1.16 0.00 0.24 0.86 1.57 -1.93 -1.65 116.57 116.82 1ua5 h LYS 174 Ca 0.37 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.81 1ua5 h LYS 174 Cb 0.01 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.35 1ua5 h LYS 174 CO -0.12 0.13 -1.57 -0.07 -0.57 0.00 0.00 179.45 177.25 1ua5 h LEU 175 N 0.00 0.79 -1.38 2.94 4.07 -1.77 -1.89 115.31 118.07 1ua5 h LEU 175 Ca -0.00 -0.92 0.05 0.00 0.08 0.00 0.00 57.88 57.09 1ua5 h LEU 175 Cb 0.35 -0.26 -0.04 0.00 1.08 0.00 0.00 40.66 41.79 1ua5 h LEU 175 CO 0.02 1.74 0.46 0.58 -1.08 0.00 0.00 178.44 180.16 1ua5 h VAL 176 N 0.14 1.06 0.08 1.22 2.07 -1.12 -2.22 116.25 117.47 1ua5 h VAL 176 Ca -0.28 -0.27 -0.25 0.00 0.82 0.00 0.00 66.70 66.72 1ua5 h VAL 176 Cb 2.16 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1ua5 h VAL 176 CO 0.25 0.14 -1.16 0.00 0.02 0.00 0.00 177.57 176.83 1ua5 h PHE 178 N 0.05 0.67 -0.63 0.00 3.57 -1.11 -2.18 116.94 117.30 1ua5 h PHE 178 Ca -0.09 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.32 1ua5 h PHE 178 Cb 1.90 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 40.42 1ua5 h PHE 178 CO 0.04 0.61 0.30 -0.22 -2.23 0.00 0.00 178.31 176.80 1ua5 h LYS 179 N 0.54 0.91 -0.54 1.11 3.64 -1.40 -1.89 116.57 118.95 1ua5 h LYS 179 Ca 0.14 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1ua5 h LYS 179 Cb 0.24 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1ua5 h LYS 179 CO -0.01 0.74 0.11 0.87 -2.27 0.00 0.00 179.45 178.90 1ua5 h LYS 180 N 0.87 0.83 -0.42 1.90 1.57 -1.53 -2.66 116.57 117.13 1ua5 h LYS 180 Ca 0.22 -0.18 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 1ua5 h LYS 180 Cb 0.13 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1ua5 h LYS 180 CO -0.03 0.76 -0.29 -0.09 -0.57 0.00 0.00 179.45 179.24 1ua5 h ARG 181 N 0.80 0.92 -0.54 3.15 2.43 -0.81 -1.56 114.38 118.77 1ua5 h ARG 181 Ca 0.17 -0.42 -0.05 0.00 -0.81 0.00 0.00 59.98 58.87 1ua5 h ARG 181 Cb 0.32 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1ua5 h ARG 181 CO 0.00 1.08 0.13 0.82 -1.51 0.00 0.00 179.97 180.49 1ua5 h ILE 182 N 0.78 1.24 0.00 1.20 1.08 -1.35 -2.58 117.51 117.88 1ua5 h ILE 182 Ca 0.09 -0.88 -0.01 0.00 -0.39 0.00 0.00 64.86 63.67 1ua5 h ILE 182 Cb 0.86 0.79 -0.00 0.00 -3.07 0.00 0.00 36.82 35.39 1ua5 h ILE 182 CO 0.08 0.32 -0.06 -0.33 -0.69 0.00 0.00 178.15 177.46 1ua5 h GLU 183 N 0.76 0.00 0.00 2.37 5.08 -1.13 -2.78 114.58 118.88 1ua5 h GLU 183 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1ua5 h GLU 183 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1ua5 h GLU 183 CO 0.00 0.06 -0.45 0.00 -1.00 0.00 0.00 179.01 177.62 1ua5 n ALA 184 N -2.35 3.06 -1.66 3.43 0.00 -0.62 -3.47 120.51 118.90 1ua5 n ALA 184 Ca -0.03 -0.26 -0.43 0.00 0.00 0.00 0.00 53.44 52.73 1ua5 n ALA 184 Cb 0.15 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 1ua5 n ALA 184 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1ua5 n ILE 185 N -1.78 0.72 -0.34 0.00 5.41 -1.05 -4.81 119.36 117.50 1ua5 n ILE 185 Ca 0.05 -0.16 0.21 0.00 1.00 0.00 0.00 62.75 63.85 1ua5 n ILE 185 Cb 0.38 -2.29 0.44 0.00 -0.71 0.00 0.00 39.64 37.47 1ua5 n ILE 185 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1ua5 h PRO 186 N 10.82 0.42 -0.42 0.38 0.11 -1.90 0.13 132.00 141.55 1ua5 h PRO 186 Ca -0.49 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 1ua5 h PRO 186 Cb 1.24 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1ua5 h PRO 186 CO 0.94 0.28 -0.19 1.96 -0.21 0.00 0.00 178.00 180.78 1ua5 h GLN 187 N 0.44 0.87 -0.35 1.05 7.50 -1.89 -1.83 115.11 120.90 1ua5 h GLN 187 Ca 0.69 -0.37 -0.17 0.00 0.50 0.00 0.00 58.65 59.29 1ua5 h GLN 187 Cb 1.49 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 28.99 1ua5 h GLN 187 CO -0.53 1.02 -0.45 0.82 -1.50 0.00 0.00 178.83 178.19 1ua5 h ILE 188 N 0.69 1.27 -0.69 2.54 1.08 -1.14 -2.45 117.51 118.82 1ua5 h ILE 188 Ca 0.09 -1.63 -0.03 0.00 -0.39 0.00 0.00 64.86 62.90 1ua5 h ILE 188 Cb 0.75 1.48 -0.03 0.00 -3.07 0.00 0.00 36.82 35.95 1ua5 h ILE 188 CO 0.06 0.54 0.31 -0.78 -0.69 0.00 0.00 178.15 177.59 1ua5 h ASP 189 N 0.73 0.92 -0.28 1.72 3.58 -0.81 -1.55 116.42 120.74 1ua5 h ASP 189 Ca 0.04 -0.15 -0.08 0.00 0.42 0.00 0.00 57.03 57.26 1ua5 h ASP 189 Cb 1.06 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.85 1ua5 h ASP 189 CO 0.11 0.82 -0.10 0.11 -2.88 0.00 0.00 179.24 177.29 1ua5 h LYS 190 N 0.97 0.69 -0.25 0.28 1.57 -1.32 -3.07 116.57 115.44 1ua5 h LYS 190 Ca 0.23 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 1ua5 h LYS 190 Cb 0.16 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1ua5 h LYS 190 CO -0.03 0.78 -0.30 -0.92 -0.57 0.00 0.00 179.45 178.41 1ua5 h TYR 191 N 0.63 0.79 0.00 -1.35 3.20 -0.95 -2.76 116.97 116.53 1ua5 h TYR 191 Ca 0.11 -0.25 -0.04 0.00 3.14 0.00 0.00 58.73 61.69 1ua5 h TYR 191 Cb 0.55 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1ua5 h TYR 191 CO 0.02 0.99 -0.18 -0.07 -1.64 0.00 0.00 178.16 177.28 1ua5 h LEU 192 N 0.36 0.00 -0.93 2.82 3.38 -1.35 -1.79 115.31 117.80 1ua5 h LEU 192 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ua5 h LEU 192 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1ua5 h LEU 192 CO 0.07 0.18 -0.08 0.29 0.09 0.00 0.00 178.44 178.99 1ua5 n LYS 193 N -3.42 1.51 -2.79 1.13 5.02 -1.16 -4.87 118.16 113.57 1ua5 n LYS 193 Ca -0.00 -0.93 -0.20 0.00 -2.02 0.00 0.00 58.31 55.16 1ua5 n LYS 193 Cb 0.37 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 33.92 1ua5 n LYS 193 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ua5 s SER 194 N -2.14 5.44 0.55 4.39 1.04 -0.67 -4.99 113.70 117.32 1ua5 s SER 194 Ca 0.33 -0.15 0.36 0.00 0.48 0.00 0.00 55.95 56.97 1ua5 s SER 194 Cb 0.20 -0.83 1.67 0.00 0.10 0.00 0.00 66.02 67.16 1ua5 s SER 194 CO 0.38 -0.98 2.07 0.77 0.98 0.00 0.00 173.24 176.46 1ua5 h SER 195 N 0.29 0.00 1.44 7.02 4.64 -1.91 -2.94 113.55 122.10 1ua5 h SER 195 Ca -0.42 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.83 1ua5 h SER 195 Cb 1.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1ua5 h SER 195 CO 0.50 0.00 -0.57 0.11 -0.87 0.00 0.00 176.83 176.00 1ua5 h LYS 196 N 0.00 0.00 -6.49 4.77 1.57 -1.94 -3.45 116.57 111.02 1ua5 h LYS 196 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1ua5 h LYS 196 Cb 0.30 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.65 1ua5 h LYS 196 CO 0.00 0.28 1.09 -0.47 -0.57 0.00 0.00 179.45 179.78 1ua5 s TYR 197 N -3.07 2.20 -0.51 -1.35 5.04 -1.11 -4.95 117.35 113.61 1ua5 s TYR 197 Ca 0.03 0.05 -0.13 0.00 -2.44 0.00 0.00 57.07 54.58 1ua5 s TYR 197 Cb 0.07 -4.13 0.12 0.00 0.35 0.00 0.00 41.96 38.37 1ua5 s TYR 197 CO 0.74 -4.63 0.43 0.42 -1.34 0.00 0.00 175.55 171.17 1ua5 s ILE 198 N 2.73 4.85 0.26 3.14 1.01 -1.26 -4.95 121.20 126.97 1ua5 s ILE 198 Ca 0.79 -1.54 0.11 0.00 0.00 0.00 0.00 60.65 60.01 1ua5 s ILE 198 Cb -0.44 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 37.91 1ua5 s ILE 198 CO 0.35 -0.79 1.61 0.00 0.00 0.00 0.00 174.94 176.11 1ua5 h ALA 199 N 8.71 0.96 -1.88 9.38 0.00 -1.97 -3.42 119.26 131.05 1ua5 h ALA 199 Ca -0.27 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.08 1ua5 h ALA 199 Cb 1.09 -0.10 -0.20 0.00 0.00 0.00 0.00 17.79 18.58 1ua5 h ALA 199 CO 0.95 0.76 0.32 -0.46 0.00 0.00 0.00 179.25 180.82 1ua5 s TRP 200 N -3.58 -0.55 0.68 0.00 -0.11 -1.26 -4.70 118.94 109.42 1ua5 s TRP 200 Ca -0.01 0.93 -0.11 0.00 1.22 0.00 0.00 56.10 58.13 1ua5 s TRP 200 Cb 0.12 0.43 -0.00 0.00 -1.50 0.00 0.00 33.47 32.52 1ua5 s TRP 200 CO 0.76 -0.52 1.06 -1.25 -4.62 0.00 0.00 176.95 172.38 1ua5 s PRO 201 N -1.25 3.05 0.22 5.86 0.04 -1.26 -4.83 135.00 136.84 1ua5 s PRO 201 Ca -0.07 0.73 0.05 0.00 0.04 0.00 0.00 61.00 61.75 1ua5 s PRO 201 Cb -0.00 -2.02 0.20 0.00 0.04 0.00 0.00 34.50 32.72 1ua5 s PRO 201 CO 0.06 -0.96 1.52 -0.07 0.04 0.00 0.00 177.00 177.60 1ua5 h LEU 202 N -0.61 0.20 0.00 -3.56 4.07 -1.56 -0.95 115.31 112.91 1ua5 h LEU 202 Ca -0.45 -0.13 -0.39 0.00 0.08 0.00 0.00 57.88 57.00 1ua5 h LEU 202 Cb 1.22 -0.06 -0.08 0.00 1.08 0.00 0.00 40.66 42.82 1ua5 h LEU 202 CO 0.61 0.82 -0.30 1.67 -1.08 0.00 0.00 178.44 180.15 1ua5 n GLN 203 N -3.79 0.96 -1.66 1.13 -0.06 -0.72 -1.11 117.38 112.13 1ua5 n GLN 203 Ca -0.02 -2.30 -0.38 0.00 -2.00 0.00 0.00 57.00 52.30 1ua5 n GLN 203 Cb 0.67 0.93 0.05 0.00 -4.06 0.00 0.00 30.24 27.83 1ua5 n GLN 203 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ua5 n GLY 204 N 0.71 0.05 0.29 1.69 0.00 -1.26 -4.72 105.19 101.95 1ua5 n GLY 204 Ca -0.09 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 45.98 1ua5 n GLY 204 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1ua5 h TRP 205 N 0.72 0.00 -0.00 1.61 6.55 -1.89 -2.12 115.95 120.80 1ua5 h TRP 205 Ca -0.49 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.35 1ua5 h TRP 205 Cb 1.35 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.65 1ua5 h TRP 205 CO 0.40 0.00 -0.03 0.00 -1.05 0.00 0.00 178.44 177.76 1ua5 n GLN 206 N -3.94 0.82 -2.29 0.49 0.00 -1.26 -1.14 117.38 110.06 1ua5 n GLN 206 Ca -0.03 -0.14 -0.35 0.00 0.00 0.00 0.00 57.00 56.48 1ua5 n GLN 206 Cb 0.09 -1.50 -0.00 0.00 0.00 0.00 0.00 30.24 28.84 1ua5 n GLN 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ua5 s ALA 207 N -2.27 2.71 0.10 2.61 0.00 -0.80 -4.97 121.76 119.14 1ua5 s ALA 207 Ca 0.37 0.80 -0.16 0.00 0.00 0.00 0.00 51.96 52.97 1ua5 s ALA 207 Cb 0.21 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.90 1ua5 s ALA 207 CO 0.42 -0.72 1.45 1.15 0.00 0.00 0.00 175.76 178.06 1ua5 h THR 208 N 1.23 1.30 -3.37 0.00 2.02 -0.88 -3.35 112.91 109.86 1ua5 h THR 208 Ca -0.50 -1.28 -0.65 0.00 0.77 0.00 0.00 66.41 64.75 1ua5 h THR 208 Cb 1.26 1.50 -0.21 0.00 -1.74 0.00 0.00 68.15 68.95 1ua5 h THR 208 CO 0.57 0.41 -0.68 0.12 0.37 0.00 0.00 175.52 176.31 1ua5 s PHE 209 N -4.55 2.99 -0.27 3.16 5.36 -0.87 -4.59 117.98 119.21 1ua5 s PHE 209 Ca -0.13 -0.25 0.00 0.00 -0.96 0.00 0.00 56.93 55.60 1ua5 s PHE 209 Cb 0.08 -1.89 0.00 0.00 -0.34 0.00 0.00 43.02 40.87 1ua5 s PHE 209 CO 0.80 0.04 0.00 0.41 -1.46 0.00 0.00 175.22 175.02 1ua5 n GLY 210 N 3.21 0.58 0.00 13.12 0.00 -1.26 -4.67 105.19 116.17 1ua5 n GLY 210 Ca -0.18 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1ua5 n GLY 210 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ua5 n GLY 211 N -2.37 2.53 0.00 -0.02 0.00 -1.26 -1.53 105.19 102.53 1ua5 n GLY 211 Ca -0.03 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1ua5 n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ua5 n GLY 212 N 5.00 -2.10 0.19 -0.02 0.00 -0.29 -4.60 105.19 103.37 1ua5 n GLY 212 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1ua5 n GLY 212 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ua5 h ASP 213 N 0.00 0.13 -4.70 1.61 3.32 -1.97 -3.39 116.42 111.42 1ua5 h ASP 213 Ca 0.00 -0.05 -0.23 0.00 0.02 0.00 0.00 57.03 56.77 1ua5 h ASP 213 Cb 0.00 -0.04 -0.17 0.00 0.22 0.00 0.00 39.33 39.35 1ua5 h ASP 213 CO 0.00 0.50 -0.71 -1.00 -1.72 0.00 0.00 179.24 176.31 1ua5 s HIS 214 N -4.20 0.79 -2.07 4.55 3.76 -1.26 -4.68 115.29 112.18 1ua5 s HIS 214 Ca -0.04 -0.79 0.31 0.00 -0.15 0.00 0.00 55.06 54.40 1ua5 s HIS 214 Cb 0.14 -0.47 1.79 0.00 1.11 0.00 0.00 32.58 35.15 1ua5 s HIS 214 CO 0.75 -0.14 2.16 -0.35 -0.85 0.00 0.00 174.74 176.31