#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xuv s PRO 12 N 0.00 4.18 -0.57 3.52 0.04 -1.26 -4.92 135.00 136.00 1xuv s PRO 12 Ca 0.00 1.43 -0.09 0.00 0.04 0.00 0.00 61.00 62.39 1xuv s PRO 12 Cb 0.00 -2.49 0.15 0.00 0.04 0.00 0.00 34.50 32.20 1xuv s PRO 12 CO 0.00 -0.11 0.44 0.99 0.04 0.00 0.00 177.00 178.36 1xuv s THR 13 N -1.74 4.35 -0.06 1.26 2.01 -1.26 -4.43 115.64 115.77 1xuv s THR 13 Ca 0.58 -2.16 -0.28 0.00 0.31 0.00 0.00 61.69 60.14 1xuv s THR 13 Cb -0.20 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 1xuv s THR 13 CO 0.25 -0.84 0.91 -0.13 -0.69 0.00 0.00 174.62 174.12 1xuv s ARG 14 N 0.85 4.48 -0.14 4.92 0.52 -0.76 -4.93 118.95 123.88 1xuv s ARG 14 Ca 0.10 1.26 0.01 0.00 -0.52 0.00 0.00 55.73 56.58 1xuv s ARG 14 Cb -0.22 -3.49 0.02 0.00 0.52 0.00 0.00 34.95 31.78 1xuv s ARG 14 CO -0.03 -0.12 -0.15 0.42 0.02 0.00 0.00 175.30 175.45 1xuv s ILE 15 N 1.32 1.57 -0.26 1.52 1.01 -1.26 -0.73 121.20 124.36 1xuv s ILE 15 Ca 0.47 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 60.40 1xuv s ILE 15 Cb -0.19 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 1xuv s ILE 15 CO 0.22 0.46 0.07 -0.89 0.00 0.00 0.00 174.94 174.79 1xuv s THR 16 N 1.34 4.16 -0.39 2.92 2.01 0.16 -4.98 115.64 120.85 1xuv s THR 16 Ca 0.02 -0.34 0.09 0.00 0.31 0.00 0.00 61.69 61.76 1xuv s THR 16 Cb -0.13 -3.00 0.28 0.00 0.01 0.00 0.00 72.50 69.66 1xuv s THR 16 CO -0.08 0.27 0.59 0.00 -0.69 0.00 0.00 174.62 174.71 1xuv n ALA 17 N 4.90 2.34 -1.64 7.40 0.00 -1.26 -0.99 120.51 131.26 1xuv n ALA 17 Ca -0.16 -3.43 -0.46 0.00 0.00 0.00 0.00 53.44 49.40 1xuv n ALA 17 Cb 0.50 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.08 1xuv n ALA 17 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xuv n GLU 18 N 1.04 1.76 -2.11 0.00 1.02 -1.26 -4.91 120.64 116.18 1xuv n GLU 18 Ca 0.22 0.62 -0.41 0.00 -0.02 0.00 0.00 57.16 57.58 1xuv n GLU 18 Cb 0.57 -2.21 -0.02 0.00 -0.02 0.00 0.00 31.44 29.76 1xuv n GLU 18 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1xuv s PRO 19 N -0.61 4.35 0.00 3.49 0.04 -1.26 -2.53 135.00 138.47 1xuv s PRO 19 Ca 0.68 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.93 1xuv s PRO 19 Cb -0.70 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 30.75 1xuv s PRO 19 CO 0.52 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.75 1xuv n GLY 20 N 1.15 0.87 3.72 0.56 0.00 -1.26 -5.05 105.19 105.18 1xuv n GLY 20 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1xuv n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xuv s LYS 21 N -0.67 2.71 -0.64 1.61 1.02 -1.05 -4.98 119.74 117.73 1xuv s LYS 21 Ca 0.00 -0.75 -0.01 0.00 0.02 0.00 0.00 55.97 55.23 1xuv s LYS 21 Cb 0.00 -2.63 0.46 0.00 -0.52 0.00 0.00 37.83 35.14 1xuv s LYS 21 CO 0.00 0.56 2.00 0.00 -0.92 0.00 0.00 175.35 177.00 1xuv n GLN 22 N 0.63 2.69 -4.05 1.68 10.64 -1.26 -4.70 117.38 123.02 1xuv n GLN 22 Ca -0.10 -3.30 -0.10 0.00 -1.83 0.00 0.00 57.00 51.66 1xuv n GLN 22 Cb 0.52 -2.28 -0.07 0.00 -0.86 0.00 0.00 30.24 27.54 1xuv n GLN 22 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.06 173.40 1xuv s GLU 23 N -3.79 1.29 -0.11 2.61 -1.05 -1.26 -0.80 118.70 115.58 1xuv s GLU 23 Ca 0.64 -1.33 -0.05 0.00 -0.15 0.00 0.00 54.97 54.07 1xuv s GLU 23 Cb 0.50 0.37 0.05 0.00 -0.44 0.00 0.00 34.13 34.62 1xuv s GLU 23 CO -0.00 -0.48 0.26 0.42 0.95 0.00 0.00 175.26 176.40 1xuv s ILE 24 N -4.04 -0.10 -0.09 1.83 1.01 0.29 -4.63 121.20 115.47 1xuv s ILE 24 Ca 0.25 0.17 0.02 0.00 0.00 0.00 0.00 60.65 61.09 1xuv s ILE 24 Cb 0.03 -0.40 -0.02 0.00 0.01 0.00 0.00 42.46 42.09 1xuv s ILE 24 CO 0.06 0.07 -0.17 -0.63 0.00 0.00 0.00 174.94 174.28 1xuv s ILE 25 N 1.45 2.79 -0.06 2.92 1.01 -0.16 -0.56 121.20 128.59 1xuv s ILE 25 Ca -0.08 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.81 1xuv s ILE 25 Cb -0.11 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.26 1xuv s ILE 25 CO -0.09 0.55 -0.12 -0.63 0.00 0.00 0.00 174.94 174.66 1xuv s ILE 26 N -0.05 1.10 0.07 2.92 1.01 0.01 0.39 121.20 126.66 1xuv s ILE 26 Ca -0.04 -0.47 0.10 0.00 0.00 0.00 0.00 60.65 60.24 1xuv s ILE 26 Cb -0.14 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 1xuv s ILE 26 CO 0.04 0.35 -0.26 0.42 0.00 0.00 0.00 174.94 175.49 1xuv s THR 27 N 0.63 2.25 -0.28 2.92 -4.23 0.09 -0.21 115.64 116.81 1xuv s THR 27 Ca -0.14 -1.49 -0.20 0.00 -1.18 0.00 0.00 61.69 58.69 1xuv s THR 27 Cb -0.15 -1.92 0.11 0.00 1.34 0.00 0.00 72.50 71.87 1xuv s THR 27 CO 0.03 0.27 0.85 -0.60 -0.54 0.00 0.00 174.62 174.64 1xuv s ARG 28 N -1.53 0.59 0.19 3.99 3.00 -0.17 -1.83 118.95 123.19 1xuv s ARG 28 Ca 0.13 0.88 0.04 0.00 -1.00 0.00 0.00 55.73 55.78 1xuv s ARG 28 Cb -0.10 0.19 -0.03 0.00 0.00 0.00 0.00 34.95 35.01 1xuv s ARG 28 CO 0.04 -0.10 0.32 -1.21 0.00 0.00 0.00 175.30 174.35 1xuv s GLU 29 N 1.03 3.43 0.02 5.12 2.02 -1.26 0.14 118.70 129.20 1xuv s GLU 29 Ca -0.05 -0.68 0.02 0.00 0.02 0.00 0.00 54.97 54.28 1xuv s GLU 29 Cb -0.05 -2.92 -0.02 0.00 0.10 0.00 0.00 34.13 31.24 1xuv s GLU 29 CO -0.12 0.48 -0.07 -0.06 0.02 0.00 0.00 175.26 175.50 1xuv s PHE 30 N -1.86 0.63 -1.29 1.61 0.08 0.60 -4.86 117.98 112.89 1xuv s PHE 30 Ca 0.34 -0.34 -0.06 0.00 0.12 0.00 0.00 56.93 57.00 1xuv s PHE 30 Cb -0.10 -0.39 0.08 0.00 -0.57 0.00 0.00 43.02 42.05 1xuv s PHE 30 CO 0.29 -0.05 2.50 -0.25 -0.10 0.00 0.00 175.22 177.61 1xuv n ASP 31 N 2.04 8.02 -3.49 1.36 8.00 -1.26 -1.64 116.55 129.58 1xuv n ASP 31 Ca -0.19 -3.06 -0.12 0.00 0.71 0.00 0.00 54.79 52.13 1xuv n ASP 31 Cb 0.56 -1.38 -0.04 0.00 -0.02 0.00 0.00 41.12 40.24 1xuv n ASP 31 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xuv s ALA 32 N -0.73 -1.76 0.45 2.24 0.00 -1.25 -4.98 121.76 115.73 1xuv s ALA 32 Ca 0.57 1.02 -0.24 0.00 0.00 0.00 0.00 51.96 53.30 1xuv s ALA 32 Cb 0.20 0.28 -0.08 0.00 0.00 0.00 0.00 23.12 23.52 1xuv s ALA 32 CO -0.10 -0.57 1.29 -1.25 0.00 0.00 0.00 175.76 175.13 1xuv s PRO 33 N -2.50 3.75 0.66 0.00 0.04 -0.77 -2.50 135.00 133.67 1xuv s PRO 33 Ca -0.01 2.10 0.35 0.00 0.04 0.00 0.00 61.00 63.48 1xuv s PRO 33 Cb -0.01 -2.58 1.93 0.00 0.04 0.00 0.00 34.50 33.89 1xuv s PRO 33 CO -0.04 -0.66 2.11 0.07 0.04 0.00 0.00 177.00 178.52 1xuv h ARG 34 N 2.28 0.00 -0.75 4.56 0.11 -1.85 0.39 114.38 119.12 1xuv h ARG 34 Ca -0.50 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.53 1xuv h ARG 34 Cb 1.26 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.31 1xuv h ARG 34 CO 0.61 0.00 0.25 0.93 0.10 0.00 0.00 179.97 181.86 1xuv h GLU 35 N 0.00 1.15 -0.05 0.08 4.39 -1.90 0.27 114.58 118.51 1xuv h GLU 35 Ca 0.01 -0.24 -0.16 0.00 0.34 0.00 0.00 59.36 59.31 1xuv h GLU 35 Cb 0.41 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1xuv h GLU 35 CO -0.00 0.97 -0.60 -0.07 -1.16 0.00 0.00 179.01 178.15 1xuv h LEU 36 N 1.10 0.62 -0.32 1.33 4.07 -1.29 -2.32 115.31 118.51 1xuv h LEU 36 Ca 0.24 -0.70 -0.02 0.00 0.08 0.00 0.00 57.88 57.49 1xuv h LEU 36 Cb 0.29 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 1xuv h LEU 36 CO -0.01 1.23 0.14 0.58 -1.08 0.00 0.00 178.44 179.30 1xuv h VAL 37 N 0.06 1.17 -0.84 1.22 2.07 -1.28 -1.82 116.25 116.83 1xuv h VAL 37 Ca -0.06 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.00 1xuv h VAL 37 Cb 1.28 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.91 1xuv h VAL 37 CO 0.12 0.18 0.53 0.15 0.02 0.00 0.00 177.57 178.57 1xuv h PHE 38 N 0.37 0.98 -0.93 1.57 3.04 -0.52 -1.17 116.94 120.29 1xuv h PHE 38 Ca 0.11 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.08 1xuv h PHE 38 Cb 0.15 -0.32 -0.05 0.00 2.56 0.00 0.00 35.95 38.30 1xuv h PHE 38 CO -0.01 0.53 0.58 -0.22 -2.02 0.00 0.00 178.31 177.17 1xuv h LYS 39 N 0.99 1.25 -0.01 1.11 3.64 -0.96 -0.73 116.57 121.87 1xuv h LYS 39 Ca 0.35 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1xuv h LYS 39 Cb 0.10 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1xuv h LYS 39 CO -0.15 0.86 0.01 0.00 -2.27 0.00 0.00 179.45 177.90 1xuv h ALA 40 N 1.36 1.55 0.00 5.00 0.00 -0.38 0.71 119.26 127.50 1xuv h ALA 40 Ca 0.34 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.05 1xuv h ALA 40 Cb -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1xuv h ALA 40 CO -0.07 -0.01 -1.25 0.74 0.00 0.00 0.00 179.25 178.67 1xuv h PHE 41 N 0.00 0.00 -0.00 0.00 -1.00 -0.88 -3.15 116.94 111.92 1xuv h PHE 41 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1xuv h PHE 41 Cb 0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.58 1xuv h PHE 41 CO 0.00 0.75 -0.52 0.25 -1.61 0.00 0.00 178.31 177.18 1xuv n THR 42 N -3.08 0.00 -3.25 -1.55 -2.24 -0.73 -4.90 114.28 98.54 1xuv n THR 42 Ca -0.08 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.04 1xuv n THR 42 Cb 0.89 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 70.06 1xuv n THR 42 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xuv s ASP 43 N -2.05 6.26 0.24 3.42 -1.08 0.16 -4.76 116.67 118.88 1xuv s ASP 43 Ca 0.05 -0.37 -0.11 0.00 -0.52 0.00 0.00 52.55 51.61 1xuv s ASP 43 Cb 0.09 -2.26 0.34 0.00 -1.46 0.00 0.00 42.92 39.64 1xuv s ASP 43 CO 0.46 -0.58 1.59 -0.65 0.52 0.00 0.00 175.17 176.51 1xuv h PRO 44 N 8.67 -0.00 0.00 4.34 0.11 -1.91 0.22 132.00 143.43 1xuv h PRO 44 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1xuv h PRO 44 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1xuv h PRO 44 CO 0.81 -0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.34 1xuv n ASP 45 N -5.53 0.54 -0.12 -2.05 8.00 -1.26 -3.04 116.55 113.09 1xuv n ASP 45 Ca 0.12 0.66 -0.17 0.00 0.71 0.00 0.00 54.79 56.10 1xuv n ASP 45 Cb 0.41 -0.76 -0.11 0.00 -0.02 0.00 0.00 41.12 40.64 1xuv n ASP 45 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xuv n LEU 46 N -2.13 2.95 -0.21 0.64 4.77 0.56 -4.55 117.00 119.04 1xuv n LEU 46 Ca 0.01 -0.12 0.02 0.00 -0.03 0.00 0.00 56.01 55.89 1xuv n LEU 46 Cb 0.17 -0.85 0.12 0.00 -2.33 0.00 0.00 43.42 40.54 1xuv n LEU 46 CO 0.16 0.90 0.91 0.22 -1.33 0.00 0.00 177.39 178.25 1xuv h TYR 47 N -0.03 0.19 0.00 -1.77 3.20 -0.91 -0.85 116.97 116.81 1xuv h TYR 47 Ca -0.54 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.36 1xuv h TYR 47 Cb 1.83 0.01 0.00 0.00 1.54 0.00 0.00 36.73 40.11 1xuv h TYR 47 CO 0.02 -0.05 0.00 0.25 -1.64 0.00 0.00 178.16 176.74 1xuv n THR 48 N -5.15 0.93 0.88 1.81 -2.24 -1.22 -2.13 114.28 107.16 1xuv n THR 48 Ca 0.10 0.34 0.13 0.00 -2.27 0.00 0.00 64.05 62.35 1xuv n THR 48 Cb 0.35 -1.27 0.39 0.00 -2.10 0.00 0.00 70.33 67.70 1xuv n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xuv n GLN 49 N -2.15 0.09 0.00 -0.78 6.02 -0.32 -4.35 117.38 115.89 1xuv n GLN 49 Ca 0.01 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1xuv n GLN 49 Cb 0.18 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 29.86 1xuv n GLN 49 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.06 173.38 1xuv n TRP 50 N -1.71 0.00 -1.80 1.08 4.27 -1.12 -4.88 117.44 113.29 1xuv n TRP 50 Ca 0.06 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.33 1xuv n TRP 50 Cb 0.37 0.00 0.05 0.00 -1.36 0.00 0.00 31.31 30.36 1xuv n TRP 50 CO 0.00 0.00 0.00 -1.50 -2.29 0.00 0.00 177.69 173.90 1xuv s ILE 51 N -0.92 3.00 0.04 -1.67 1.10 -0.90 -4.37 121.20 117.48 1xuv s ILE 51 Ca 0.00 0.51 0.00 0.00 -0.51 0.00 0.00 60.65 60.65 1xuv s ILE 51 Cb 0.00 -3.06 0.00 0.00 0.15 0.00 0.00 42.46 39.55 1xuv s ILE 51 CO 0.00 -0.25 0.00 0.61 -2.11 0.00 0.00 174.94 173.19 1xuv n GLY 52 N -0.14 -2.71 3.76 1.50 0.00 -1.26 -4.88 105.19 101.46 1xuv n GLY 52 Ca 0.11 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 1xuv n GLY 52 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xuv s PRO 53 N -3.26 2.53 0.37 1.61 0.04 -1.26 -4.07 135.00 130.95 1xuv s PRO 53 Ca 0.00 1.35 -0.25 0.00 0.04 0.00 0.00 61.00 62.14 1xuv s PRO 53 Cb 0.00 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 32.50 1xuv s PRO 53 CO 0.00 -1.46 0.88 -2.13 0.04 0.00 0.00 177.00 174.33 1xuv n ARG 54 N -2.84 1.11 -0.81 4.56 3.00 -1.26 -1.68 116.66 118.74 1xuv n ARG 54 Ca 0.10 0.40 0.00 0.00 -0.00 0.00 0.00 57.85 58.35 1xuv n ARG 54 Cb 0.52 -1.81 0.00 0.00 0.00 0.00 0.00 32.46 31.18 1xuv n ARG 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xuv n GLY 55 N 1.37 1.13 3.88 5.14 0.00 -1.26 -4.95 105.19 110.49 1xuv n GLY 55 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1xuv n GLY 55 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xuv s PHE 56 N -3.71 3.45 -0.08 1.61 0.40 -0.68 -2.64 117.98 116.34 1xuv s PHE 56 Ca 0.00 0.25 0.02 0.00 -0.60 0.00 0.00 56.93 56.61 1xuv s PHE 56 Cb 0.00 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 41.75 1xuv s PHE 56 CO 0.00 0.59 -0.14 0.99 0.70 0.00 0.00 175.22 177.36 1xuv s THR 57 N -1.40 3.04 -0.12 0.64 2.01 0.27 -4.92 115.64 115.17 1xuv s THR 57 Ca 0.30 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.62 1xuv s THR 57 Cb -0.13 -2.22 0.01 0.00 0.01 0.00 0.00 72.50 70.18 1xuv s THR 57 CO 0.23 0.57 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.64 1xuv s THR 58 N -0.36 1.83 -0.10 -0.82 2.01 -1.26 0.65 115.64 117.58 1xuv s THR 58 Ca 0.04 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 61.23 1xuv s THR 58 Cb -0.12 -1.62 -0.00 0.00 0.01 0.00 0.00 72.50 70.76 1xuv s THR 58 CO 0.02 0.51 -0.24 0.00 -0.69 0.00 0.00 174.62 174.22 1xuv s ALA 59 N 0.77 2.17 0.15 7.40 0.00 -0.36 -4.88 121.76 127.01 1xuv s ALA 59 Ca -0.10 -0.97 -0.21 0.00 0.00 0.00 0.00 51.96 50.68 1xuv s ALA 59 Cb -0.16 -0.81 -0.08 0.00 0.00 0.00 0.00 23.12 22.08 1xuv s ALA 59 CO 0.01 0.29 0.68 -0.51 0.00 0.00 0.00 175.76 176.23 1xuv s LEU 60 N 0.32 4.49 -0.14 0.00 1.43 -1.26 -1.24 118.68 122.28 1xuv s LEU 60 Ca -0.18 1.42 0.05 0.00 -1.03 0.00 0.00 54.13 54.38 1xuv s LEU 60 Cb -0.18 -3.24 -0.12 0.00 0.03 0.00 0.00 46.19 42.69 1xuv s LEU 60 CO 0.09 0.18 -0.06 0.29 0.23 0.00 0.00 176.35 177.07 1xuv n LYS 61 N 1.35 1.05 -3.75 1.70 4.76 0.83 -4.97 118.16 119.13 1xuv n LYS 61 Ca -0.06 0.05 -0.13 0.00 -2.87 0.00 0.00 58.31 55.30 1xuv n LYS 61 Cb 0.50 -1.30 -0.11 0.00 -1.84 0.00 0.00 35.03 32.29 1xuv n LYS 61 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1xuv s ILE 62 N -2.29 0.00 -0.29 -0.18 -1.09 -0.98 -4.95 121.20 111.42 1xuv s ILE 62 Ca -0.14 -0.00 0.03 0.00 -2.23 0.00 0.00 60.65 58.31 1xuv s ILE 62 Cb 0.05 -0.50 0.18 0.00 -1.58 0.00 0.00 42.46 40.61 1xuv s ILE 62 CO 0.40 -0.00 0.50 0.12 -1.23 0.00 0.00 174.94 174.73 1xuv s PHE 63 N 0.18 -1.42 -0.51 3.97 5.36 -1.25 -0.54 117.98 123.77 1xuv s PHE 63 Ca -0.00 0.78 0.03 0.00 -0.96 0.00 0.00 56.93 56.78 1xuv s PHE 63 Cb -0.02 0.11 0.14 0.00 -0.34 0.00 0.00 43.02 42.90 1xuv s PHE 63 CO 0.00 -1.01 0.29 -1.21 -1.46 0.00 0.00 175.22 171.83 1xuv s GLU 64 N 2.69 1.76 -1.07 10.12 2.02 -0.53 -5.01 118.70 128.68 1xuv s GLU 64 Ca 0.11 -2.49 -0.08 0.00 0.02 0.00 0.00 54.97 52.53 1xuv s GLU 64 Cb -0.12 -2.91 -0.06 0.00 0.10 0.00 0.00 34.13 31.14 1xuv s GLU 64 CO -0.27 -1.16 2.29 -0.35 0.02 0.00 0.00 175.26 175.78 1xuv n PRO 65 N 3.08 2.42 -3.81 0.39 -0.04 -1.26 -4.19 135.00 131.59 1xuv n PRO 65 Ca 0.09 -1.66 -0.10 0.00 -0.04 0.00 0.00 63.50 61.80 1xuv n PRO 65 Cb 0.34 -2.57 -0.06 0.00 -0.04 0.00 0.00 33.50 31.17 1xuv n PRO 65 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1xuv s LYS 66 N 3.23 1.09 0.14 0.54 -2.85 -1.26 -4.91 119.74 115.72 1xuv s LYS 66 Ca 0.47 -0.95 -0.35 0.00 -1.00 0.00 0.00 55.97 54.15 1xuv s LYS 66 Cb 0.12 0.42 -0.15 0.00 -2.06 0.00 0.00 37.83 36.16 1xuv s LYS 66 CO -0.03 -0.41 1.48 0.09 0.10 0.00 0.00 175.35 176.58 1xuv n ASN 67 N -0.20 2.55 0.00 0.03 4.13 -1.26 -0.17 115.26 120.34 1xuv n ASN 67 Ca -0.12 1.10 0.00 0.00 1.68 0.00 0.00 54.58 57.24 1xuv n ASN 67 Cb 0.63 -1.34 0.00 0.00 -1.54 0.00 0.00 39.78 37.53 1xuv n ASN 67 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xuv n GLY 68 N 3.03 0.78 3.85 7.41 0.00 0.33 -5.02 105.19 115.57 1xuv n GLY 68 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1xuv n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xuv s GLY 69 N -2.00 2.17 0.23 -0.02 0.00 0.76 -4.80 107.32 103.66 1xuv s GLY 69 Ca 0.00 0.12 0.06 0.00 0.00 0.00 0.00 44.72 44.90 1xuv s GLY 69 CO 0.00 0.36 0.19 -0.56 0.00 0.00 0.00 173.10 173.09 1xuv s SER 70 N -2.71 5.57 0.03 1.64 0.01 -1.26 0.44 113.70 117.42 1xuv s SER 70 Ca 0.57 -0.20 -0.05 0.00 1.31 0.00 0.00 55.95 57.58 1xuv s SER 70 Cb -0.10 -1.44 -0.01 0.00 0.21 0.00 0.00 66.02 64.68 1xuv s SER 70 CO 0.24 -0.01 0.09 -1.66 0.41 0.00 0.00 173.24 172.31 1xuv s TRP 71 N -2.02 0.17 -0.29 2.43 1.48 -0.44 -1.45 118.94 118.83 1xuv s TRP 71 Ca 0.32 -0.42 -0.15 0.00 -1.06 0.00 0.00 56.10 54.79 1xuv s TRP 71 Cb -0.09 -0.13 0.12 0.00 -1.16 0.00 0.00 33.47 32.22 1xuv s TRP 71 CO 0.25 -0.32 0.83 -1.14 -4.06 0.00 0.00 176.95 172.50 1xuv s GLN 72 N -2.17 0.51 0.09 3.25 0.74 0.30 -1.63 119.66 120.75 1xuv s GLN 72 Ca -0.09 0.99 -0.02 0.00 0.05 0.00 0.00 55.36 56.29 1xuv s GLN 72 Cb -0.04 0.28 -0.03 0.00 1.10 0.00 0.00 33.01 34.32 1xuv s GLN 72 CO -0.03 -0.13 0.04 1.52 -0.55 0.00 0.00 175.29 176.14 1xuv s TYR 73 N 1.86 0.59 -0.09 1.67 1.13 -0.65 -0.12 117.35 121.74 1xuv s TYR 73 Ca -0.08 -1.06 0.02 0.00 -1.41 0.00 0.00 57.07 54.54 1xuv s TYR 73 Cb -0.06 -0.37 0.01 0.00 -1.10 0.00 0.00 41.96 40.44 1xuv s TYR 73 CO -0.18 -0.46 -0.16 0.42 -2.51 0.00 0.00 175.55 172.67 1xuv s ILE 74 N -3.96 1.45 0.06 -3.49 1.01 -0.38 -1.31 121.20 114.58 1xuv s ILE 74 Ca 0.13 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 60.17 1xuv s ILE 74 Cb 0.07 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1xuv s ILE 74 CO -0.06 0.43 0.01 -1.10 0.00 0.00 0.00 174.94 174.22 1xuv s GLN 75 N 0.72 2.67 -0.07 2.79 -0.21 0.26 -1.22 119.66 124.60 1xuv s GLN 75 Ca -0.13 -0.75 0.05 0.00 0.02 0.00 0.00 55.36 54.55 1xuv s GLN 75 Cb -0.16 -2.61 -0.00 0.00 1.00 0.00 0.00 33.01 31.24 1xuv s GLN 75 CO 0.03 0.57 -0.21 0.15 -2.12 0.00 0.00 175.29 173.70 1xuv s LYS 76 N -2.09 2.43 0.79 2.91 3.01 0.21 -0.67 119.74 126.33 1xuv s LYS 76 Ca 0.24 -0.77 -0.12 0.00 -1.01 0.00 0.00 55.97 54.32 1xuv s LYS 76 Cb -0.12 -1.98 0.06 0.00 -1.01 0.00 0.00 37.83 34.79 1xuv s LYS 76 CO 0.16 0.24 1.13 0.16 0.51 0.00 0.00 175.35 177.56 1xuv s ASP 77 N 0.14 4.68 0.00 2.83 -4.77 -0.64 -0.56 116.67 118.35 1xuv s ASP 77 Ca -0.10 1.03 0.00 0.00 -3.30 0.00 0.00 52.55 50.19 1xuv s ASP 77 Cb -0.15 -1.69 0.00 0.00 -1.09 0.00 0.00 42.92 39.99 1xuv s ASP 77 CO 0.05 -1.82 0.78 -0.81 0.70 0.00 0.00 175.17 174.07 1xuv n PRO 78 N -3.30 0.42 0.00 2.11 -0.04 -1.08 -2.50 135.00 130.61 1xuv n PRO 78 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1xuv n PRO 78 Cb 0.58 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 1xuv n PRO 78 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xuv n GLU 79 N 1.64 0.00 0.00 0.54 1.02 -1.26 -5.06 120.64 117.52 1xuv n GLU 79 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xuv n GLU 79 Cb 0.21 -0.30 0.00 0.00 -0.02 0.00 0.00 31.44 31.33 1xuv n GLU 79 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xuv n GLY 80 N 0.19 0.71 3.77 0.62 0.00 -1.04 -5.13 105.19 104.31 1xuv n GLY 80 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1xuv n GLY 80 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xuv s ASN 81 N 0.00 6.47 0.04 1.61 0.01 -1.26 -4.79 114.94 117.02 1xuv s ASN 81 Ca 0.00 2.82 0.05 0.00 -0.71 0.00 0.00 52.86 55.02 1xuv s ASN 81 Cb 0.00 -2.65 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 1xuv s ASN 81 CO 0.00 -0.76 -0.09 -1.61 -1.51 0.00 0.00 177.10 173.13 1xuv s GLU 82 N -2.04 2.37 -0.17 -0.60 2.02 -1.26 -1.62 118.70 117.41 1xuv s GLU 82 Ca 0.53 -0.85 -0.02 0.00 0.02 0.00 0.00 54.97 54.65 1xuv s GLU 82 Cb -0.42 -2.41 0.05 0.00 0.10 0.00 0.00 34.13 31.45 1xuv s GLU 82 CO 0.56 0.56 0.01 0.71 0.02 0.00 0.00 175.26 177.12 1xuv s TYR 83 N -1.07 1.11 -0.12 1.61 2.02 0.15 -4.96 117.35 116.09 1xuv s TYR 83 Ca 0.19 -0.80 -0.06 0.00 -0.37 0.00 0.00 57.07 56.03 1xuv s TYR 83 Cb -0.11 -1.05 -0.04 0.00 -0.40 0.00 0.00 41.96 40.36 1xuv s TYR 83 CO 0.10 -0.56 0.11 0.00 -1.57 0.00 0.00 175.55 173.62 1xuv s ALA 84 N 1.83 3.72 0.04 3.71 0.00 -1.26 -0.58 121.76 129.22 1xuv s ALA 84 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1xuv s ALA 84 Cb -0.16 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 1xuv s ALA 84 CO -0.07 0.55 -0.05 -0.06 0.00 0.00 0.00 175.76 176.13 1xuv s PHE 85 N -0.81 0.48 0.18 0.00 0.08 -0.43 -0.74 117.98 116.74 1xuv s PHE 85 Ca 0.13 -0.64 -0.18 0.00 0.12 0.00 0.00 56.93 56.36 1xuv s PHE 85 Cb -0.12 -0.31 0.03 0.00 -0.57 0.00 0.00 43.02 42.05 1xuv s PHE 85 CO 0.03 -0.18 0.52 -3.38 -0.10 0.00 0.00 175.22 172.11 1xuv s HIS 86 N -2.01 -0.19 0.04 0.36 -3.43 -0.65 -1.64 115.29 107.76 1xuv s HIS 86 Ca -0.08 -0.13 -0.15 0.00 -0.80 0.00 0.00 55.06 53.89 1xuv s HIS 86 Cb -0.06 0.41 0.05 0.00 -1.43 0.00 0.00 32.58 31.55 1xuv s HIS 86 CO -0.02 -0.89 0.70 0.41 -2.00 0.00 0.00 174.74 172.94 1xuv n GLY 87 N -0.33 0.59 3.00 -1.38 0.00 -0.65 -0.56 105.19 105.86 1xuv n GLY 87 Ca -0.12 -1.00 -0.17 0.00 0.00 0.00 0.00 46.02 44.73 1xuv n GLY 87 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xuv s VAL 88 N -2.15 0.59 -0.23 1.61 -7.23 -1.25 -1.33 120.40 110.41 1xuv s VAL 88 Ca 0.16 -0.38 -0.23 0.00 -1.81 0.00 0.00 61.98 59.71 1xuv s VAL 88 Cb -0.01 -0.51 -0.01 0.00 0.56 0.00 0.00 36.38 36.41 1xuv s VAL 88 CO 0.01 0.13 0.77 0.20 -0.31 0.00 0.00 175.10 175.90 1xuv s ASN 89 N -0.29 6.78 -0.02 4.85 0.01 0.17 -1.04 114.94 125.40 1xuv s ASN 89 Ca 0.02 0.96 -0.20 0.00 -0.71 0.00 0.00 52.86 52.93 1xuv s ASN 89 Cb -0.03 -2.41 -0.29 0.00 0.41 0.00 0.00 41.25 38.93 1xuv s ASN 89 CO -0.00 -0.45 0.99 -0.74 -1.51 0.00 0.00 177.10 175.38 1xuv h HIS 90 N 7.68 0.64 -2.78 2.20 -0.00 0.86 0.96 115.15 124.71 1xuv h HIS 90 Ca -0.25 -0.42 -0.13 0.00 -0.00 0.00 0.00 60.37 59.56 1xuv h HIS 90 Cb 1.11 -0.04 -0.26 0.00 -0.00 0.00 0.00 27.41 28.22 1xuv h HIS 90 CO 0.75 1.29 -0.31 0.34 -0.00 0.00 0.00 177.93 180.00 1xuv s ASP 91 N -6.99 -0.43 -0.25 3.26 2.15 -0.52 -4.08 116.67 109.82 1xuv s ASP 91 Ca -0.13 0.78 -0.02 0.00 0.43 0.00 0.00 52.55 53.61 1xuv s ASP 91 Cb 0.02 0.73 0.08 0.00 -0.30 0.00 0.00 42.92 43.45 1xuv s ASP 91 CO 0.85 -0.16 0.07 -0.69 -0.17 0.00 0.00 175.17 175.07 1xuv s VAL 92 N 0.77 0.58 -0.27 1.11 1.01 -1.26 0.09 120.40 122.43 1xuv s VAL 92 Ca -0.05 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1xuv s VAL 92 Cb -0.06 -1.26 0.07 0.00 0.00 0.00 0.00 36.38 35.13 1xuv s VAL 92 CO -0.06 -0.45 -0.01 -0.89 0.00 0.00 0.00 175.10 173.70 1xuv s THR 93 N 1.80 1.59 0.06 3.92 2.01 -0.58 -4.56 115.64 119.88 1xuv s THR 93 Ca 0.04 -1.48 -0.30 0.00 0.31 0.00 0.00 61.69 60.26 1xuv s THR 93 Cb -0.17 -1.96 -0.05 0.00 0.01 0.00 0.00 72.50 70.32 1xuv s THR 93 CO -0.18 -0.29 1.14 -0.70 -0.69 0.00 0.00 174.62 173.90 1xuv s GLU 94 N 1.33 4.48 -0.37 4.92 -6.30 -1.26 0.16 118.70 121.65 1xuv s GLU 94 Ca -0.00 1.69 0.06 0.00 -2.50 0.00 0.00 54.97 54.21 1xuv s GLU 94 Cb -0.19 -3.36 0.48 0.00 0.00 0.00 0.00 34.13 31.06 1xuv s GLU 94 CO -0.10 -0.18 1.49 -0.35 0.02 0.00 0.00 175.26 176.15 1xuv n PRO 95 N 3.76 2.65 -0.07 4.30 -0.04 -1.26 -4.97 135.00 139.37 1xuv n PRO 95 Ca 0.08 -3.57 -0.11 0.00 -0.04 0.00 0.00 63.50 59.86 1xuv n PRO 95 Cb 0.47 -2.08 -0.10 0.00 -0.04 0.00 0.00 33.50 31.75 1xuv n PRO 95 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1xuv h GLU 96 N 1.63 0.00 -2.31 0.54 4.39 -0.54 -3.40 114.58 114.89 1xuv h GLU 96 Ca 0.36 0.00 0.16 0.00 0.34 0.00 0.00 59.36 60.22 1xuv h GLU 96 Cb 1.45 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 30.00 1xuv h GLU 96 CO 0.78 0.76 0.49 -0.98 -1.16 0.00 0.00 179.01 178.90 1xuv s ARG 97 N -2.08 1.08 -0.02 2.33 1.70 -0.59 -1.21 118.95 120.15 1xuv s ARG 97 Ca -0.15 -0.55 -0.00 0.00 -0.47 0.00 0.00 55.73 54.55 1xuv s ARG 97 Cb -0.02 0.40 0.03 0.00 -0.57 0.00 0.00 34.95 34.79 1xuv s ARG 97 CO 0.53 -0.49 0.03 0.42 -1.08 0.00 0.00 175.30 174.71 1xuv s ILE 98 N -3.23 -0.06 -0.10 4.99 1.01 -0.25 -1.52 121.20 122.05 1xuv s ILE 98 Ca 0.10 0.25 0.01 0.00 0.00 0.00 0.00 60.65 61.02 1xuv s ILE 98 Cb -0.01 -0.10 0.02 0.00 0.01 0.00 0.00 42.46 42.38 1xuv s ILE 98 CO -0.01 0.11 -0.13 -0.63 0.00 0.00 0.00 174.94 174.28 1xuv s ILE 99 N 1.26 1.28 0.21 2.92 1.01 0.11 -0.20 121.20 127.80 1xuv s ILE 99 Ca -0.07 -0.51 -0.20 0.00 0.00 0.00 0.00 60.65 59.86 1xuv s ILE 99 Cb -0.13 -1.20 0.04 0.00 0.01 0.00 0.00 42.46 41.18 1xuv s ILE 99 CO -0.03 0.40 0.61 -0.94 0.00 0.00 0.00 174.94 174.98 1xuv s SER 100 N 1.05 -0.36 0.57 3.58 1.04 -0.57 0.14 113.70 119.14 1xuv s SER 100 Ca -0.06 -0.37 -0.06 0.00 0.48 0.00 0.00 55.95 55.94 1xuv s SER 100 Cb -0.15 0.64 -0.00 0.00 0.10 0.00 0.00 66.02 66.61 1xuv s SER 100 CO -0.01 -1.12 0.89 0.42 0.98 0.00 0.00 173.24 174.39 1xuv s THR 101 N -3.85 3.96 -0.15 2.02 -4.23 -0.21 -0.54 115.64 112.64 1xuv s THR 101 Ca 0.07 0.10 -0.07 0.00 -1.18 0.00 0.00 61.69 60.60 1xuv s THR 101 Cb -0.03 -3.56 0.06 0.00 1.34 0.00 0.00 72.50 70.32 1xuv s THR 101 CO -0.03 -0.58 0.35 0.12 -0.54 0.00 0.00 174.62 173.94 1xuv s PHE 102 N -2.96 -0.54 -0.02 3.99 2.19 -0.12 -3.85 117.98 116.68 1xuv s PHE 102 Ca 0.53 1.16 0.01 0.00 0.33 0.00 0.00 56.93 58.95 1xuv s PHE 102 Cb -0.11 0.18 0.02 0.00 -1.31 0.00 0.00 43.02 41.81 1xuv s PHE 102 CO 0.46 -0.33 -0.01 -2.00 1.83 0.00 0.00 175.22 175.16 1xuv s GLU 103 N 1.62 0.30 -0.34 10.12 2.12 0.28 -1.37 118.70 131.43 1xuv s GLU 103 Ca -0.07 0.01 -0.16 0.00 0.36 0.00 0.00 54.97 55.10 1xuv s GLU 103 Cb -0.10 -0.41 -0.01 0.00 0.26 0.00 0.00 34.13 33.87 1xuv s GLU 103 CO -0.11 -0.06 0.42 0.12 -0.54 0.00 0.00 175.26 175.09 1xuv s PHE 104 N 0.64 3.20 -1.50 5.30 5.36 -1.26 -1.64 117.98 128.07 1xuv s PHE 104 Ca -0.06 0.07 0.20 0.00 -0.96 0.00 0.00 56.93 56.17 1xuv s PHE 104 Cb -0.09 -2.77 1.03 0.00 -0.34 0.00 0.00 43.02 40.84 1xuv s PHE 104 CO -0.01 -0.47 1.62 0.39 -1.46 0.00 0.00 175.22 175.29 1xuv n GLU 105 N 5.53 0.33 0.00 10.12 1.02 0.08 -3.28 120.64 134.44 1xuv n GLU 105 Ca -0.07 0.09 0.15 0.00 -0.02 0.00 0.00 57.16 57.30 1xuv n GLU 105 Cb 0.49 -1.50 0.71 0.00 -0.02 0.00 0.00 31.44 31.13 1xuv n GLU 105 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xuv n GLY 106 N 0.38 -0.51 3.80 0.62 0.00 -1.26 -4.89 105.19 103.34 1xuv n GLY 106 Ca 0.10 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1xuv n GLY 106 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xuv s LEU 107 N -2.04 3.97 0.15 0.99 1.43 -1.20 -4.98 118.68 117.00 1xuv s LEU 107 Ca 0.42 1.85 -0.11 0.00 -1.03 0.00 0.00 54.13 55.25 1xuv s LEU 107 Cb 0.21 -4.44 0.00 0.00 0.03 0.00 0.00 46.19 41.99 1xuv s LEU 107 CO 0.36 -0.52 1.56 1.55 0.23 0.00 0.00 176.35 179.53 1xuv h PRO 108 N 1.98 0.93 -5.69 1.29 0.13 -1.94 -3.43 132.00 125.28 1xuv h PRO 108 Ca -0.49 -0.36 -0.67 0.00 -0.87 0.00 0.00 66.00 63.61 1xuv h PRO 108 Cb 1.20 -0.05 -0.09 0.00 0.13 0.00 0.00 31.00 32.20 1xuv h PRO 108 CO 0.61 1.02 -0.51 -1.21 -0.23 0.00 0.00 178.00 177.68 1xuv s GLU 109 N -4.78 3.38 0.64 0.86 2.02 -1.26 -5.10 118.70 114.46 1xuv s GLU 109 Ca -0.12 -0.18 -0.07 0.00 0.02 0.00 0.00 54.97 54.62 1xuv s GLU 109 Cb 0.12 -3.13 0.03 0.00 0.10 0.00 0.00 34.13 31.25 1xuv s GLU 109 CO 0.85 0.75 0.96 0.15 0.02 0.00 0.00 175.26 177.99 1xuv s LYS 110 N -0.96 2.69 0.00 1.61 -0.14 -1.26 -4.44 119.74 117.23 1xuv s LYS 110 Ca 0.14 -0.04 0.00 0.00 -1.36 0.00 0.00 55.97 54.72 1xuv s LYS 110 Cb -0.12 -2.21 0.00 0.00 -1.68 0.00 0.00 37.83 33.82 1xuv s LYS 110 CO 0.04 -0.90 0.00 0.41 -0.76 0.00 0.00 175.35 174.13 1xuv n GLY 111 N -2.73 0.11 3.47 -3.33 0.00 -1.26 -5.02 105.19 96.43 1xuv n GLY 111 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1xuv n GLY 111 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xuv s HIS 112 N -2.04 2.66 0.01 1.61 3.76 -1.26 -4.98 115.29 115.05 1xuv s HIS 112 Ca 0.00 -0.57 0.08 0.00 -0.15 0.00 0.00 55.06 54.42 1xuv s HIS 112 Cb 0.00 -4.35 -0.02 0.00 1.11 0.00 0.00 32.58 29.32 1xuv s HIS 112 CO 0.00 -1.70 -0.24 0.08 -0.85 0.00 0.00 174.74 172.03 1xuv s VAL 113 N 4.19 1.94 0.08 -0.90 1.01 -1.26 -4.59 120.40 120.86 1xuv s VAL 113 Ca 0.25 -1.18 0.07 0.00 0.00 0.00 0.00 61.98 61.13 1xuv s VAL 113 Cb -0.14 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1xuv s VAL 113 CO 0.08 0.43 -0.14 -0.63 0.00 0.00 0.00 175.10 174.84 1xuv s ILE 114 N -0.68 3.12 -0.24 2.22 1.01 -0.47 -4.08 121.20 122.08 1xuv s ILE 114 Ca 0.10 -1.24 -0.06 0.00 0.00 0.00 0.00 60.65 59.44 1xuv s ILE 114 Cb -0.09 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 1xuv s ILE 114 CO 0.01 0.21 0.04 -0.22 0.00 0.00 0.00 174.94 174.97 1xuv s LEU 115 N -1.88 3.31 -0.09 2.97 2.96 -0.62 -0.95 118.68 124.38 1xuv s LEU 115 Ca 0.18 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.83 1xuv s LEU 115 Cb -0.11 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 1xuv s LEU 115 CO 0.10 -0.02 -0.01 -1.81 -1.32 0.00 0.00 176.35 173.29 1xuv s ASP 116 N 1.53 5.13 -0.16 3.68 1.01 0.30 -1.45 116.67 126.70 1xuv s ASP 116 Ca 0.06 0.10 -0.01 0.00 0.71 0.00 0.00 52.55 53.41 1xuv s ASP 116 Cb -0.15 -1.47 0.04 0.00 1.01 0.00 0.00 42.92 42.35 1xuv s ASP 116 CO 0.02 0.35 -0.05 -0.89 0.21 0.00 0.00 175.17 174.82 1xuv s THR 117 N -0.73 1.03 -0.20 -1.27 2.01 -0.16 -1.52 115.64 114.81 1xuv s THR 117 Ca 0.11 -0.56 -0.05 0.00 0.31 0.00 0.00 61.69 61.50 1xuv s THR 117 Cb -0.12 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.16 1xuv s THR 117 CO 0.02 0.13 -0.01 0.00 -0.69 0.00 0.00 174.62 174.08 1xuv s ALA 118 N 1.67 3.01 -0.11 7.40 0.00 0.72 -0.02 121.76 134.43 1xuv s ALA 118 Ca 0.01 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.99 1xuv s ALA 118 Cb -0.15 -1.74 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 1xuv s ALA 118 CO -0.08 -0.13 -0.13 0.50 0.00 0.00 0.00 175.76 175.92 1xuv s ARG 119 N 0.97 3.21 -0.24 0.00 3.52 -0.20 -1.09 118.95 125.12 1xuv s ARG 119 Ca 0.01 -0.68 -0.03 0.00 -0.13 0.00 0.00 55.73 54.90 1xuv s ARG 119 Cb -0.14 -2.58 0.01 0.00 -1.56 0.00 0.00 34.95 30.68 1xuv s ARG 119 CO 0.02 0.30 -0.05 -0.06 -0.81 0.00 0.00 175.30 174.70 1xuv s PHE 120 N 0.13 3.02 -0.05 5.12 0.40 -0.35 -1.20 117.98 125.04 1xuv s PHE 120 Ca -0.06 -1.30 0.06 0.00 -0.60 0.00 0.00 56.93 55.03 1xuv s PHE 120 Cb -0.15 -2.09 -0.01 0.00 0.51 0.00 0.00 43.02 41.29 1xuv s PHE 120 CO 0.05 -0.66 -0.24 -2.00 0.70 0.00 0.00 175.22 173.07 1xuv s GLU 121 N 1.39 2.39 0.42 0.44 2.56 -0.53 -4.59 118.70 120.78 1xuv s GLU 121 Ca 0.03 -0.87 -0.24 0.00 0.00 0.00 0.00 54.97 53.89 1xuv s GLU 121 Cb -0.16 -2.06 -0.08 0.00 2.00 0.00 0.00 34.13 33.83 1xuv s GLU 121 CO -0.04 0.38 1.14 0.00 -0.56 0.00 0.00 175.26 176.18 1xuv s ALA 122 N -0.18 3.06 0.26 6.30 0.00 -1.26 -0.95 121.76 128.98 1xuv s ALA 122 Ca -0.02 0.89 0.08 0.00 0.00 0.00 0.00 51.96 52.90 1xuv s ALA 122 Cb -0.13 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1xuv s ALA 122 CO 0.03 -0.50 -0.10 -0.51 0.00 0.00 0.00 175.76 174.68 1xuv s LEU 123 N -2.75 2.53 0.31 0.00 1.43 0.29 -4.85 118.68 115.64 1xuv s LEU 123 Ca 0.60 -1.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.28 1xuv s LEU 123 Cb -0.28 -0.70 -0.11 0.00 0.03 0.00 0.00 46.19 45.13 1xuv s LEU 123 CO 0.34 -0.24 1.58 -2.16 0.23 0.00 0.00 176.35 176.10 1xuv s PRO 124 N -3.68 4.12 0.00 1.29 0.04 -1.26 -2.48 135.00 133.03 1xuv s PRO 124 Ca 0.27 2.58 0.00 0.00 0.04 0.00 0.00 61.00 63.90 1xuv s PRO 124 Cb 0.01 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.54 1xuv s PRO 124 CO 0.11 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.93 1xuv n GLY 125 N 1.91 1.13 3.92 0.56 0.00 -1.26 -4.16 105.19 107.28 1xuv n GLY 125 Ca 0.07 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 1xuv n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xuv n ASP 126 N 1.06 -3.29 -4.90 1.61 8.00 -1.11 -4.92 116.55 113.00 1xuv n ASP 126 Ca 0.00 -0.85 -0.26 0.00 0.71 0.00 0.00 54.79 54.40 1xuv n ASP 126 Cb 0.27 -3.66 -0.01 0.00 -0.02 0.00 0.00 41.12 37.70 1xuv n ASP 126 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1xuv s ARG 127 N -6.52 2.27 0.01 -1.24 0.52 -1.03 -1.85 118.95 111.10 1xuv s ARG 127 Ca 0.46 -1.98 0.02 0.00 -0.52 0.00 0.00 55.73 53.71 1xuv s ARG 127 Cb -0.23 -2.13 -0.01 0.00 0.52 0.00 0.00 34.95 33.10 1xuv s ARG 127 CO 0.85 -0.59 -0.06 0.99 0.02 0.00 0.00 175.30 176.51 1xuv s THR 128 N -2.75 0.46 -0.19 0.02 2.01 -0.65 -0.55 115.64 113.99 1xuv s THR 128 Ca 0.36 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.81 1xuv s THR 128 Cb -0.02 -0.45 0.03 0.00 0.01 0.00 0.00 72.50 72.07 1xuv s THR 128 CO 0.22 -0.09 -0.18 -0.75 -0.69 0.00 0.00 174.62 173.13 1xuv s LYS 129 N -0.71 2.82 -0.22 4.92 2.20 -0.12 -0.29 119.74 128.34 1xuv s LYS 129 Ca -0.03 -0.91 -0.08 0.00 -0.36 0.00 0.00 55.97 54.59 1xuv s LYS 129 Cb -0.05 -2.60 -0.04 0.00 -1.51 0.00 0.00 37.83 33.62 1xuv s LYS 129 CO 0.00 -0.28 0.09 -1.17 -0.36 0.00 0.00 175.35 173.63 1xuv s LEU 130 N 1.27 3.78 -0.29 5.43 2.96 0.12 -1.46 118.68 130.49 1xuv s LEU 130 Ca 0.03 0.00 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1xuv s LEU 130 Cb -0.14 -1.99 0.07 0.00 0.50 0.00 0.00 46.19 44.63 1xuv s LEU 130 CO -0.11 0.09 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.07 1xuv s THR 131 N 0.91 2.49 -0.15 3.68 2.01 -0.34 -1.00 115.64 123.23 1xuv s THR 131 Ca 0.05 -1.70 -0.12 0.00 0.31 0.00 0.00 61.69 60.23 1xuv s THR 131 Cb -0.14 -2.52 -0.05 0.00 0.01 0.00 0.00 72.50 69.80 1xuv s THR 131 CO 0.03 -0.18 0.24 -0.44 -0.69 0.00 0.00 174.62 173.58 1xuv s SER 132 N 1.16 6.40 -0.23 3.53 0.01 0.71 -1.04 113.70 124.24 1xuv s SER 132 Ca -0.04 0.47 0.02 0.00 1.31 0.00 0.00 55.95 57.71 1xuv s SER 132 Cb -0.20 -2.15 0.05 0.00 0.21 0.00 0.00 66.02 63.93 1xuv s SER 132 CO -0.04 0.18 -0.12 -2.28 0.41 0.00 0.00 173.24 171.39 1xuv s HIS 133 N 0.13 2.91 -0.30 2.43 2.46 0.97 -0.81 115.29 123.09 1xuv s HIS 133 Ca 0.15 -2.00 -0.07 0.00 0.47 0.00 0.00 55.06 53.60 1xuv s HIS 133 Cb -0.13 -1.83 0.01 0.00 -0.13 0.00 0.00 32.58 30.51 1xuv s HIS 133 CO 0.03 -0.83 0.09 -1.12 -2.47 0.00 0.00 174.74 170.44 1xuv s SER 134 N 1.23 5.16 -0.25 9.88 0.01 0.28 -0.99 113.70 129.02 1xuv s SER 134 Ca -0.05 -0.73 -0.06 0.00 1.31 0.00 0.00 55.95 56.42 1xuv s SER 134 Cb -0.18 -1.89 -0.02 0.00 0.21 0.00 0.00 66.02 64.14 1xuv s SER 134 CO -0.07 -0.20 0.04 -0.69 0.41 0.00 0.00 173.24 172.73 1xuv s VAL 135 N 1.50 4.03 0.37 3.43 1.01 -0.53 -0.54 120.40 129.65 1xuv s VAL 135 Ca 0.02 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1xuv s VAL 135 Cb -0.17 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1xuv s VAL 135 CO 0.03 0.34 0.56 -0.36 0.00 0.00 0.00 175.10 175.66 1xuv s PHE 136 N 1.57 3.37 0.23 5.22 0.08 0.02 -1.59 117.98 126.87 1xuv s PHE 136 Ca 0.06 0.22 -0.07 0.00 0.12 0.00 0.00 56.93 57.26 1xuv s PHE 136 Cb -0.15 -2.00 0.20 0.00 -0.57 0.00 0.00 43.02 40.50 1xuv s PHE 136 CO 0.02 -0.01 1.82 0.37 -0.10 0.00 0.00 175.22 177.32 1xuv h GLN 137 N 0.70 1.21 -3.82 0.44 5.75 -1.85 -3.46 115.11 114.08 1xuv h GLN 137 Ca -0.48 -0.19 -0.09 0.00 -0.15 0.00 0.00 58.65 57.74 1xuv h GLN 137 Cb 1.23 -0.21 -0.13 0.00 1.07 0.00 0.00 27.48 29.44 1xuv h GLN 137 CO 0.59 0.94 -0.32 0.95 -2.65 0.00 0.00 178.83 178.34 1xuv s THR 138 N -5.66 0.09 0.25 2.39 -4.23 -1.26 -5.03 115.64 102.18 1xuv s THR 138 Ca -0.12 -1.26 -0.05 0.00 -1.18 0.00 0.00 61.69 59.08 1xuv s THR 138 Cb 0.16 -1.63 0.24 0.00 1.34 0.00 0.00 72.50 72.61 1xuv s THR 138 CO 0.83 -0.41 1.89 0.16 -0.54 0.00 0.00 174.62 176.55 1xuv h ILE 139 N 2.60 1.14 -0.84 2.99 3.07 -1.88 -1.87 117.51 122.72 1xuv h ILE 139 Ca -0.33 -0.40 -0.01 0.00 1.55 0.00 0.00 64.86 65.67 1xuv h ILE 139 Cb 1.22 -0.13 -0.04 0.00 -0.27 0.00 0.00 36.82 37.60 1xuv h ILE 139 CO 0.51 0.21 0.47 1.05 -1.05 0.00 0.00 178.15 179.34 1xuv h GLU 140 N 1.17 1.17 -0.72 0.16 9.09 -1.96 0.18 114.58 123.66 1xuv h GLU 140 Ca 0.38 -0.13 0.02 0.00 0.05 0.00 0.00 59.36 59.68 1xuv h GLU 140 Cb 0.03 -0.23 -0.04 0.00 -1.65 0.00 0.00 28.75 26.86 1xuv h GLU 140 CO -0.13 0.85 0.47 -0.44 0.05 0.00 0.00 179.01 179.81 1xuv h ASP 141 N 1.17 0.79 -0.20 3.06 3.45 -1.78 0.51 116.42 123.42 1xuv h ASP 141 Ca 0.30 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.74 1xuv h ASP 141 Cb 0.02 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.59 1xuv h ASP 141 CO -0.05 0.56 0.12 -0.09 -1.57 0.00 0.00 179.24 178.22 1xuv h ARG 142 N 0.94 0.28 -0.32 3.56 1.12 -0.55 -2.92 114.38 116.48 1xuv h ARG 142 Ca 0.27 -0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 59.12 1xuv h ARG 142 Cb -0.06 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 29.83 1xuv h ARG 142 CO -0.08 0.23 0.20 -0.44 -3.11 0.00 0.00 179.97 176.77 1xuv h ASP 143 N 0.24 0.38 0.00 -3.80 3.45 0.09 -2.90 116.42 113.88 1xuv h ASP 143 Ca 0.07 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.49 1xuv h ASP 143 Cb 0.02 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 38.70 1xuv h ASP 143 CO -0.01 0.31 0.00 0.61 -1.57 0.00 0.00 179.24 178.57 1xuv n GLY 144 N -1.09 0.00 0.87 2.75 0.00 0.17 -1.58 105.19 106.31 1xuv n GLY 144 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1xuv n GLY 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xuv n LEU 146 N 0.87 0.00 0.28 0.99 4.77 -1.10 -2.36 117.00 120.46 1xuv n LEU 146 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1xuv n LEU 146 Cb 0.00 0.00 0.80 0.00 -2.33 0.00 0.00 43.42 41.89 1xuv n LEU 146 CO 0.00 0.00 1.09 1.56 -1.33 0.00 0.00 177.39 178.71 1xuv h GLN 147 N 0.00 0.00 -0.91 3.23 4.20 -1.59 -2.04 115.11 118.00 1xuv h GLN 147 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xuv h GLN 147 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1xuv h GLN 147 CO 0.00 0.02 0.00 0.43 -0.67 0.00 0.00 178.83 178.61 1xuv n SER 148 N -4.06 1.08 -2.61 1.46 7.64 -1.00 -5.11 113.62 111.02 1xuv n SER 148 Ca -0.03 -1.78 -0.06 0.00 1.01 0.00 0.00 58.87 58.02 1xuv n SER 148 Cb 0.10 -0.44 -0.05 0.00 -1.01 0.00 0.00 64.21 62.81 1xuv n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xuv n GLY 149 N 0.11 -5.22 1.57 0.23 0.00 -0.77 -4.95 105.19 96.16 1xuv n GLY 149 Ca 0.00 1.79 0.00 0.00 0.00 0.00 0.00 46.02 47.81 1xuv n GLY 149 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xuv n GLU 151 N 1.75 0.00 -0.06 1.61 2.13 -1.26 -2.00 120.64 122.82 1xuv n GLU 151 Ca -0.42 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.23 1xuv n GLU 151 Cb 0.65 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.23 1xuv n GLU 151 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1xuv h GLU 152 N 0.00 0.05 -0.76 5.31 4.57 -1.94 -3.21 114.58 118.61 1xuv h GLU 152 Ca 0.00 -0.09 0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1xuv h GLU 152 Cb 0.00 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 1xuv h GLU 152 CO 0.00 1.04 0.49 0.78 -1.18 0.00 0.00 179.01 180.14 1xuv h GLY 153 N -0.83 1.09 0.92 1.92 0.00 -1.77 -1.77 103.07 102.63 1xuv h GLY 153 Ca -0.15 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 46.83 1xuv h GLY 153 CO -0.04 0.33 0.51 1.19 0.00 0.00 0.00 176.54 178.53 1xuv h ILE 154 N 0.96 1.15 -0.86 2.60 6.09 -1.84 -0.91 117.51 124.70 1xuv h ILE 154 Ca 0.29 -0.35 -0.02 0.00 -1.37 0.00 0.00 64.86 63.42 1xuv h ILE 154 Cb -0.03 0.05 -0.04 0.00 0.47 0.00 0.00 36.82 37.27 1xuv h ILE 154 CO -0.09 0.18 0.45 0.78 -3.07 0.00 0.00 178.15 176.40 1xuv h ASN 155 N 1.01 1.09 0.14 2.19 2.35 -1.40 -1.63 115.58 119.34 1xuv h ASN 155 Ca 0.31 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 1xuv h ASN 155 Cb -0.03 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.06 1xuv h ASN 155 CO -0.10 0.89 -0.07 0.44 -1.65 0.00 0.00 177.43 176.95 1xuv h ASP 156 N 1.21 -0.16 -0.48 5.81 3.32 -0.53 -2.09 116.42 123.50 1xuv h ASP 156 Ca 0.30 -0.19 0.07 0.00 0.02 0.00 0.00 57.03 57.23 1xuv h ASP 156 Cb 0.06 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.59 1xuv h ASP 156 CO -0.04 0.10 0.15 0.77 -1.72 0.00 0.00 179.24 178.50 1xuv h SER 157 N -0.43 0.12 -0.21 6.45 4.64 -1.05 0.18 113.55 123.24 1xuv h SER 157 Ca -0.02 0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1xuv h SER 157 Cb 0.34 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1xuv h SER 157 CO 0.03 0.10 0.10 1.88 -0.87 0.00 0.00 176.83 178.06 1xuv h TYR 158 N 0.31 0.36 -0.28 4.77 0.99 -1.27 0.31 116.97 122.16 1xuv h TYR 158 Ca 0.23 -0.01 -0.15 0.00 2.00 0.00 0.00 58.73 60.80 1xuv h TYR 158 Cb 0.27 -0.11 -0.00 0.00 1.00 0.00 0.00 36.73 37.88 1xuv h TYR 158 CO -0.18 0.30 -0.43 0.93 -0.00 0.00 0.00 178.16 178.77 1xuv h GLU 159 N 0.37 0.78 -0.59 4.88 5.08 -0.39 -0.78 114.58 123.92 1xuv h GLU 159 Ca 0.09 -0.47 -0.03 0.00 -1.00 0.00 0.00 59.36 57.96 1xuv h GLU 159 Cb 0.09 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1xuv h GLU 159 CO -0.01 1.10 0.27 0.00 -1.00 0.00 0.00 179.01 179.37 1xuv h ARG 160 N 0.53 0.85 -0.44 2.33 3.08 0.52 -2.06 114.38 119.19 1xuv h ARG 160 Ca 0.02 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.85 1xuv h ARG 160 Cb 1.03 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 1xuv h ARG 160 CO 0.10 0.67 -0.16 1.25 -1.07 0.00 0.00 179.97 180.76 1xuv h LEU 161 N 0.84 0.83 -0.18 3.04 5.85 -0.14 -1.76 115.31 123.80 1xuv h LEU 161 Ca 0.21 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.68 1xuv h LEU 161 Cb 0.12 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1xuv h LEU 161 CO -0.02 0.99 -0.05 0.44 -0.34 0.00 0.00 178.44 179.46 1xuv h ASP 162 N 0.74 -0.18 -0.73 1.25 3.45 -0.45 0.23 116.42 120.73 1xuv h ASP 162 Ca 0.11 0.06 -0.00 0.00 0.43 0.00 0.00 57.03 57.63 1xuv h ASP 162 Cb 0.67 0.12 -0.04 0.00 -0.56 0.00 0.00 39.33 39.53 1xuv h ASP 162 CO 0.05 -0.07 0.45 -0.33 -1.57 0.00 0.00 179.24 177.77 1xuv h GLU 163 N -0.01 0.97 -0.48 3.56 5.08 -1.22 -2.12 114.58 120.37 1xuv h GLU 163 Ca 0.09 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1xuv h GLU 163 Cb 0.14 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1xuv h GLU 163 CO -0.19 0.68 -0.02 1.25 -1.00 0.00 0.00 179.01 179.72 1xuv h LEU 164 N 0.99 0.86 -1.25 1.33 5.85 -0.88 -2.75 115.31 119.45 1xuv h LEU 164 Ca 0.26 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1xuv h LEU 164 Cb -0.06 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.70 1xuv h LEU 164 CO -0.05 0.97 0.51 -0.07 -0.34 0.00 0.00 178.44 179.46 1xuv h LEU 165 N 0.72 0.86 -0.71 2.25 3.38 -0.21 -1.85 115.31 119.75 1xuv h LEU 165 Ca 0.13 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1xuv h LEU 165 Cb 0.54 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1xuv h LEU 165 CO 0.03 0.61 0.31 -0.33 0.09 0.00 0.00 178.44 179.15 1xuv h GLU 166 N 1.01 1.05 -1.13 1.13 4.39 -1.14 0.13 114.58 120.03 1xuv h GLU 166 Ca 0.29 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1xuv h GLU 166 Cb -0.06 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.41 1xuv h GLU 166 CO -0.07 0.85 0.00 1.63 -1.16 0.00 0.00 179.01 180.26 1xuv n LYS 167 N -4.39 0.20 0.00 2.33 5.02 -0.70 -0.70 118.16 119.93 1xuv n LYS 167 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1xuv n LYS 167 Cb 0.16 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1xuv n LYS 167 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xuv n LYS 169 N 0.69 0.00 -0.19 1.97 5.02 0.45 -1.26 118.16 124.84 1xuv n LYS 169 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 1xuv n LYS 169 Cb 0.08 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.12 1xuv n LYS 169 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1xuv h LYS 170 N 0.00 0.72 0.00 1.97 1.79 -1.16 -1.31 116.57 118.59 1xuv h LYS 170 Ca 0.00 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.37 1xuv h LYS 170 Cb 0.00 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.48 1xuv h LYS 170 CO 0.00 0.50 -0.24 1.25 -1.08 0.00 0.00 179.45 179.88 1xuv h LEU 171 N 0.73 0.00 0.00 2.94 7.12 -1.43 -3.30 115.31 121.37 1xuv h LEU 171 Ca 0.20 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.21 1xuv h LEU 171 Cb -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.08 1xuv h LEU 171 CO -0.04 0.24 0.00 1.21 -0.13 0.00 0.00 178.44 179.72 1xuv n GLU 172 N -4.21 0.00 0.00 1.25 4.07 -0.50 -5.23 120.64 116.03 1xuv n GLU 172 Ca -0.02 0.21 0.00 0.00 -0.06 0.00 0.00 57.16 57.28 1xuv n GLU 172 Cb 0.30 -1.03 0.00 0.00 -0.06 0.00 0.00 31.44 30.65 1xuv n GLU 172 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68