#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn1 s LYS 10 N 0.00 1.34 0.15 1.20 2.47 -1.26 -5.14 119.74 118.51 1xn1 s LYS 10 Ca 0.00 -0.39 0.06 0.00 -1.56 0.00 0.00 55.97 54.08 1xn1 s LYS 10 Cb 0.00 -1.18 -0.04 0.00 -1.46 0.00 0.00 37.83 35.15 1xn1 s LYS 10 CO 0.00 0.11 0.01 -0.08 0.16 0.00 0.00 175.35 175.55 1xn1 s THR 11 N 0.32 3.86 0.14 3.43 -1.32 -1.26 -5.14 115.64 115.68 1xn1 s THR 11 Ca -0.07 -1.27 0.02 0.00 -1.21 0.00 0.00 61.69 59.17 1xn1 s THR 11 Cb -0.12 -2.91 -0.04 0.00 -1.51 0.00 0.00 72.50 67.92 1xn1 s THR 11 CO 0.02 -0.04 -0.05 -0.94 -2.21 0.00 0.00 174.62 171.40 1xn1 s SER 12 N -2.76 1.35 0.22 8.08 1.04 -1.26 -4.76 113.70 115.61 1xn1 s SER 12 Ca 0.27 -1.08 -0.22 0.00 0.48 0.00 0.00 55.95 55.40 1xn1 s SER 12 Cb -0.10 0.07 0.06 0.00 0.10 0.00 0.00 66.02 66.15 1xn1 s SER 12 CO 0.19 -0.47 0.91 0.72 0.98 0.00 0.00 173.24 175.57 1xn1 s PHE 13 N -3.56 -0.06 -0.12 5.02 -0.12 -1.19 -4.99 117.98 112.96 1xn1 s PHE 13 Ca 0.18 -0.35 0.01 0.00 -0.05 0.00 0.00 56.93 56.72 1xn1 s PHE 13 Cb 0.05 0.70 -0.01 0.00 -0.63 0.00 0.00 43.02 43.12 1xn1 s PHE 13 CO 0.00 -1.03 -0.17 0.15 -0.05 0.00 0.00 175.22 174.12 1xn1 s LYS 14 N -3.01 3.25 -0.10 1.99 1.02 -1.26 -1.17 119.74 120.46 1xn1 s LYS 14 Ca 0.15 -0.75 -0.00 0.00 0.02 0.00 0.00 55.97 55.38 1xn1 s LYS 14 Cb -0.03 -2.52 -0.02 0.00 -0.52 0.00 0.00 37.83 34.74 1xn1 s LYS 14 CO 0.05 0.22 -0.09 0.42 -0.92 0.00 0.00 175.35 175.03 1xn1 s ILE 15 N 0.32 3.50 -0.36 2.17 1.01 0.95 -1.51 121.20 127.27 1xn1 s ILE 15 Ca -0.13 -0.53 -0.11 0.00 0.00 0.00 0.00 60.65 59.88 1xn1 s ILE 15 Cb -0.16 -2.46 0.02 0.00 0.01 0.00 0.00 42.46 39.86 1xn1 s ILE 15 CO 0.07 0.55 0.21 0.00 0.00 0.00 0.00 174.94 175.77 1xn1 s ALA 16 N -0.21 3.31 -0.41 9.38 0.00 -0.66 0.27 121.76 133.44 1xn1 s ALA 16 Ca 0.02 -1.64 -0.17 0.00 0.00 0.00 0.00 51.96 50.17 1xn1 s ALA 16 Cb -0.13 -2.59 0.02 0.00 0.00 0.00 0.00 23.12 20.42 1xn1 s ALA 16 CO 0.03 -1.28 0.42 0.12 0.00 0.00 0.00 175.76 175.05 1xn1 s PHE 17 N 1.59 3.18 -0.22 0.00 5.36 0.15 0.30 117.98 128.34 1xn1 s PHE 17 Ca 0.03 -0.31 -0.10 0.00 -0.96 0.00 0.00 56.93 55.59 1xn1 s PHE 17 Cb -0.19 -2.85 -0.05 0.00 -0.34 0.00 0.00 43.02 39.60 1xn1 s PHE 17 CO 0.07 -0.65 0.13 0.42 -1.46 0.00 0.00 175.22 173.73 1xn1 s ILE 18 N 2.11 5.17 -0.02 3.12 1.01 0.42 0.28 121.20 133.29 1xn1 s ILE 18 Ca 0.12 0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.90 1xn1 s ILE 18 Cb -0.17 -3.39 0.01 0.00 0.01 0.00 0.00 42.46 38.92 1xn1 s ILE 18 CO 0.13 0.38 -0.05 0.00 0.00 0.00 0.00 174.94 175.40 1xn1 s GLN 19 N 0.84 0.64 0.26 2.79 -2.07 -0.34 0.41 119.66 122.19 1xn1 s GLN 19 Ca 0.07 -0.17 -0.30 0.00 -1.82 0.00 0.00 55.36 53.14 1xn1 s GLN 19 Cb -0.13 -0.64 -0.09 0.00 -1.09 0.00 0.00 33.01 31.06 1xn1 s GLN 19 CO 0.03 0.04 1.13 0.00 -1.32 0.00 0.00 175.29 175.17 1xn1 s ALA 20 N 0.32 3.42 0.46 2.60 0.00 -0.95 -1.30 121.76 126.31 1xn1 s ALA 20 Ca -0.04 0.93 0.37 0.00 0.00 0.00 0.00 51.96 53.22 1xn1 s ALA 20 Cb -0.08 -3.36 1.89 0.00 0.00 0.00 0.00 23.12 21.58 1xn1 s ALA 20 CO -0.00 -0.24 2.20 0.00 0.00 0.00 0.00 175.76 177.72 1xn1 h ARG 21 N 4.14 0.00 -6.61 0.00 2.47 0.86 -3.41 114.38 111.83 1xn1 h ARG 21 Ca -0.46 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 57.73 1xn1 h ARG 21 Cb 1.21 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.55 1xn1 h ARG 21 CO 0.69 0.03 0.58 -1.58 0.56 0.00 0.00 179.97 180.25 1xn1 s TRP 22 N -4.08 3.40 -1.63 3.04 0.23 -1.24 -2.84 118.94 115.82 1xn1 s TRP 22 Ca -0.03 1.33 0.00 0.00 -2.03 0.00 0.00 56.10 55.38 1xn1 s TRP 22 Cb 0.12 -3.46 0.00 0.00 0.03 0.00 0.00 33.47 30.16 1xn1 s TRP 22 CO 0.50 -1.38 0.00 0.72 0.96 0.00 0.00 176.95 177.74 1xn1 n HIS 23 N 2.99 -0.71 -0.33 -1.98 8.25 -1.26 -4.55 115.22 117.63 1xn1 n HIS 23 Ca 0.06 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.71 1xn1 n HIS 23 Cb 0.45 -3.51 0.39 0.00 1.12 0.00 0.00 29.99 28.44 1xn1 n HIS 23 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xn1 h ALA 24 N 0.71 1.74 -0.98 -1.41 0.00 -1.75 0.72 119.26 118.28 1xn1 h ALA 24 Ca -0.42 0.16 0.19 0.00 0.00 0.00 0.00 54.91 54.84 1xn1 h ALA 24 Cb 1.30 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.11 1xn1 h ALA 24 CO 0.52 -0.41 0.61 0.22 0.00 0.00 0.00 179.25 180.19 1xn1 h ASP 25 N 0.42 0.70 0.00 0.00 1.82 -1.89 0.74 116.42 118.21 1xn1 h ASP 25 Ca 0.65 0.08 -0.08 0.00 -0.39 0.00 0.00 57.03 57.29 1xn1 h ASP 25 Cb 1.35 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 41.29 1xn1 h ASP 25 CO -0.55 0.27 -0.52 0.40 -1.61 0.00 0.00 179.24 177.23 1xn1 h ILE 26 N 0.69 0.99 -0.19 2.25 2.04 -0.16 -3.35 117.51 119.77 1xn1 h ILE 26 Ca 0.55 -1.92 0.05 0.00 1.00 0.00 0.00 64.86 64.54 1xn1 h ILE 26 Cb 0.94 2.04 -0.06 0.00 -0.74 0.00 0.00 36.82 39.00 1xn1 h ILE 26 CO -0.32 0.33 -0.20 0.58 0.00 0.00 0.00 178.15 178.54 1xn1 h VAL 27 N -1.00 0.47 -1.15 1.67 2.07 0.24 -0.61 116.25 117.95 1xn1 h VAL 27 Ca -0.13 0.00 0.41 0.00 0.82 0.00 0.00 66.70 67.80 1xn1 h VAL 27 Cb 0.90 0.47 -0.15 0.00 -1.52 0.00 0.00 31.29 30.99 1xn1 h VAL 27 CO -0.08 0.00 0.69 0.44 0.02 0.00 0.00 177.57 178.64 1xn1 h ASP 28 N -0.23 0.33 -0.89 0.57 3.45 0.29 0.44 116.42 120.38 1xn1 h ASP 28 Ca 0.12 0.19 0.11 0.00 0.43 0.00 0.00 57.03 57.88 1xn1 h ASP 28 Cb 0.41 0.18 -0.07 0.00 -0.56 0.00 0.00 39.33 39.29 1xn1 h ASP 28 CO -0.33 -0.26 0.58 -0.33 -1.57 0.00 0.00 179.24 177.33 1xn1 h GLU 29 N 0.11 0.82 -0.04 3.56 4.39 -1.24 0.51 114.58 122.69 1xn1 h GLU 29 Ca 0.81 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 60.44 1xn1 h GLU 29 Cb 2.28 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.75 1xn1 h GLU 29 CO -0.58 0.54 -0.08 0.00 -1.16 0.00 0.00 179.01 177.74 1xn1 h ALA 30 N 1.57 0.06 0.41 3.43 0.00 -0.17 -1.90 119.26 122.65 1xn1 h ALA 30 Ca 0.42 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1xn1 h ALA 30 Cb 0.48 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1xn1 h ALA 30 CO -0.19 -0.09 -0.51 -0.09 0.00 0.00 0.00 179.25 178.37 1xn1 h ARG 31 N -0.42 -0.91 -0.73 0.00 2.43 -0.95 1.25 114.38 115.05 1xn1 h ARG 31 Ca 0.00 0.06 0.13 0.00 -0.81 0.00 0.00 59.98 59.36 1xn1 h ARG 31 Cb 0.66 0.21 -0.09 0.00 -0.42 0.00 0.00 29.97 30.33 1xn1 h ARG 31 CO 0.02 -0.61 0.30 0.87 -1.51 0.00 0.00 179.97 179.04 1xn1 h LYS 32 N -0.95 0.46 -0.19 0.20 1.57 -0.11 0.14 116.57 117.69 1xn1 h LYS 32 Ca -0.05 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1xn1 h LYS 32 Cb 0.85 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1xn1 h LYS 32 CO -0.11 0.30 -0.03 1.03 -0.57 0.00 0.00 179.45 180.07 1xn1 h SER 33 N 0.47 0.36 0.01 0.86 0.87 -0.81 -0.86 113.55 114.45 1xn1 h SER 33 Ca 0.39 -0.35 0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1xn1 h SER 33 Cb 0.54 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.36 1xn1 h SER 33 CO -0.36 0.62 -0.24 0.15 -0.53 0.00 0.00 176.83 176.47 1xn1 h PHE 34 N 0.08 -0.64 -0.57 2.24 3.57 0.24 -2.33 116.94 119.53 1xn1 h PHE 34 Ca 0.05 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.62 1xn1 h PHE 34 Cb 0.46 0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.43 1xn1 h PHE 34 CO 0.05 -0.33 0.31 0.28 -2.23 0.00 0.00 178.31 176.39 1xn1 h VAL 35 N -0.38 0.98 -0.59 1.41 2.07 -0.68 -2.91 116.25 116.15 1xn1 h VAL 35 Ca 0.06 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.43 1xn1 h VAL 35 Cb 0.46 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 1xn1 h VAL 35 CO -0.21 0.11 0.29 0.00 0.02 0.00 0.00 177.57 177.79 1xn1 h ALA 36 N 1.29 0.77 -0.33 1.67 0.00 -0.74 -1.97 119.26 119.96 1xn1 h ALA 36 Ca 0.25 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1xn1 h ALA 36 Cb 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xn1 h ALA 36 CO -0.15 -0.07 0.07 0.93 0.00 0.00 0.00 179.25 180.03 1xn1 h GLU 37 N 0.54 0.53 0.00 0.00 4.39 -1.26 -0.36 114.58 118.42 1xn1 h GLU 37 Ca 0.27 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 1xn1 h GLU 37 Cb 0.21 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1xn1 h GLU 37 CO -0.20 0.61 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.17 1xn1 h LEU 38 N 0.37 0.00 0.07 1.33 3.38 -1.31 0.74 115.31 119.90 1xn1 h LEU 38 Ca 0.10 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1xn1 h LEU 38 Cb 0.32 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.09 1xn1 h LEU 38 CO 0.00 0.01 -0.48 0.00 0.09 0.00 0.00 178.44 178.07 1xn1 h ALA 39 N 1.99 -0.04 0.11 1.53 0.00 -0.63 0.11 119.26 122.32 1xn1 h ALA 39 Ca -0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1xn1 h ALA 39 Cb 0.14 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xn1 h ALA 39 CO 0.00 0.22 -0.05 0.00 0.00 0.00 0.00 179.25 179.42 1xn1 h ALA 40 N 0.09 -0.14 0.00 0.00 0.00 0.64 0.74 119.26 120.58 1xn1 h ALA 40 Ca -0.08 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 1xn1 h ALA 40 Cb 1.35 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1xn1 h ALA 40 CO 0.09 -0.55 -0.86 0.87 0.00 0.00 0.00 179.25 178.80 1xn1 h LYS 41 N -0.20 0.01 0.00 0.00 1.79 0.30 -3.37 116.57 115.10 1xn1 h LYS 41 Ca -0.01 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1xn1 h LYS 41 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1xn1 h LYS 41 CO 0.02 0.86 -0.44 0.25 -1.08 0.00 0.00 179.45 179.07 1xn1 n THR 42 N -3.52 0.00 -3.64 -0.16 -2.24 0.34 -5.04 114.28 100.01 1xn1 n THR 42 Ca -0.01 -0.31 -0.28 0.00 -2.27 0.00 0.00 64.05 61.18 1xn1 n THR 42 Cb 0.82 0.81 0.04 0.00 -2.10 0.00 0.00 70.33 69.90 1xn1 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xn1 n GLY 43 N 1.51 -0.91 3.94 3.38 0.00 0.26 -0.98 105.19 112.40 1xn1 n GLY 43 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1xn1 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xn1 n GLY 44 N -1.63 2.68 0.27 -0.02 0.00 -1.26 -4.80 105.19 100.44 1xn1 n GLY 44 Ca -0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.95 1xn1 n GLY 44 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1xn1 h SER 45 N 0.00 0.01 -3.71 1.61 0.87 -1.35 -3.34 113.55 107.64 1xn1 h SER 45 Ca 0.00 0.15 -0.63 0.00 -1.23 0.00 0.00 61.79 60.08 1xn1 h SER 45 Cb 0.00 0.20 -0.15 0.00 -0.44 0.00 0.00 62.40 62.00 1xn1 h SER 45 CO 0.00 -0.04 -0.47 -0.69 -0.53 0.00 0.00 176.83 175.10 1xn1 s VAL 46 N -6.05 5.32 -0.20 2.23 1.01 -1.26 -3.20 120.40 118.25 1xn1 s VAL 46 Ca -0.13 0.24 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 1xn1 s VAL 46 Cb 0.21 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 1xn1 s VAL 46 CO 0.76 0.29 0.21 -1.61 0.00 0.00 0.00 175.10 174.75 1xn1 s GLU 47 N 1.41 4.19 -0.26 2.72 2.02 -0.32 -4.86 118.70 123.60 1xn1 s GLU 47 Ca 0.09 -0.10 -0.07 0.00 0.02 0.00 0.00 54.97 54.91 1xn1 s GLU 47 Cb -0.15 -3.46 -0.02 0.00 0.10 0.00 0.00 34.13 30.60 1xn1 s GLU 47 CO 0.08 0.20 0.07 0.08 0.02 0.00 0.00 175.26 175.71 1xn1 s VAL 48 N 0.62 4.25 -0.23 2.63 1.01 -1.26 -0.03 120.40 127.39 1xn1 s VAL 48 Ca 0.11 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.76 1xn1 s VAL 48 Cb -0.12 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 1xn1 s VAL 48 CO 0.02 0.30 0.10 -1.61 0.00 0.00 0.00 175.10 173.91 1xn1 s GLU 49 N 1.60 3.88 -0.09 2.72 2.02 0.14 -4.94 118.70 124.03 1xn1 s GLU 49 Ca 0.06 -0.37 -0.16 0.00 0.02 0.00 0.00 54.97 54.52 1xn1 s GLU 49 Cb -0.15 -3.37 -0.05 0.00 0.10 0.00 0.00 34.13 30.66 1xn1 s GLU 49 CO 0.03 0.02 0.41 0.42 0.02 0.00 0.00 175.26 176.17 1xn1 s ILE 50 N 1.09 5.17 -0.11 -1.63 1.09 -1.26 0.35 121.20 125.89 1xn1 s ILE 50 Ca 0.05 0.82 0.01 0.00 -1.10 0.00 0.00 60.65 60.44 1xn1 s ILE 50 Cb -0.14 -3.74 0.02 0.00 -1.06 0.00 0.00 42.46 37.54 1xn1 s ILE 50 CO 0.04 0.42 -0.14 -0.36 -0.10 0.00 0.00 174.94 174.80 1xn1 s PHE 51 N 0.04 1.90 -0.16 3.97 0.40 0.14 -4.93 117.98 119.34 1xn1 s PHE 51 Ca 0.23 -0.90 -0.21 0.00 -0.60 0.00 0.00 56.93 55.45 1xn1 s PHE 51 Cb -0.15 -1.39 -0.03 0.00 0.51 0.00 0.00 43.02 41.96 1xn1 s PHE 51 CO 0.10 -0.48 0.62 -0.51 0.70 0.00 0.00 175.22 175.65 1xn1 s ASP 52 N 1.09 6.75 0.03 1.36 1.01 -1.26 -1.20 116.67 124.44 1xn1 s ASP 52 Ca -0.05 0.91 0.07 0.00 0.71 0.00 0.00 52.55 54.18 1xn1 s ASP 52 Cb -0.14 -2.35 -0.02 0.00 1.01 0.00 0.00 42.92 41.41 1xn1 s ASP 52 CO -0.03 -0.21 -0.20 0.54 0.21 0.00 0.00 175.17 175.49 1xn1 s VAL 53 N 1.51 1.60 0.00 -1.27 0.11 -0.42 -4.94 120.40 117.00 1xn1 s VAL 53 Ca 0.30 -1.10 0.00 0.00 -2.93 0.00 0.00 61.98 58.25 1xn1 s VAL 53 Cb -0.16 -1.38 0.00 0.00 -1.53 0.00 0.00 36.38 33.31 1xn1 s VAL 53 CO 0.12 0.25 0.42 -2.65 -3.33 0.00 0.00 175.10 169.91 1xn1 n PRO 54 N 2.03 0.00 -3.88 1.54 -0.02 -1.26 -1.08 135.00 132.33 1xn1 n PRO 54 Ca -0.17 0.25 -0.25 0.00 -2.02 0.00 0.00 63.50 61.31 1xn1 n PRO 54 Cb 0.53 -0.92 -0.02 0.00 -0.02 0.00 0.00 33.50 33.08 1xn1 n PRO 54 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1xn1 s GLY 55 N 0.00 2.34 0.51 -1.23 0.00 -1.26 -0.50 107.32 107.18 1xn1 s GLY 55 Ca 0.00 -1.45 0.22 0.00 0.00 0.00 0.00 44.72 43.49 1xn1 s GLY 55 CO 0.00 -1.90 2.10 0.00 0.00 0.00 0.00 173.10 173.29 1xn1 h ALA 56 N 0.89 1.56 0.00 3.20 0.00 -1.94 -0.75 119.26 122.21 1xn1 h ALA 56 Ca -0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1xn1 h ALA 56 Cb 1.29 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xn1 h ALA 56 CO 0.59 0.12 -0.05 -0.92 0.00 0.00 0.00 179.25 179.00 1xn1 h TYR 57 N 0.00 0.00 -0.31 0.00 3.20 -1.94 -1.91 116.97 116.01 1xn1 h TYR 57 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1xn1 h TYR 57 Cb 0.21 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1xn1 h TYR 57 CO 0.00 0.05 0.00 0.39 -1.64 0.00 0.00 178.16 176.96 1xn1 n GLU 58 N -3.26 1.87 -0.06 1.82 4.71 -0.29 -4.45 120.64 120.99 1xn1 n GLU 58 Ca -0.01 -1.34 -0.03 0.00 -0.01 0.00 0.00 57.16 55.77 1xn1 n GLU 58 Cb 0.23 -1.35 -0.02 0.00 -1.01 0.00 0.00 31.44 29.30 1xn1 n GLU 58 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1xn1 h ILE 59 N 2.36 0.17 -0.96 -3.67 2.04 -1.44 -3.26 117.51 112.76 1xn1 h ILE 59 Ca 0.00 -1.15 0.15 0.00 1.00 0.00 0.00 64.86 64.86 1xn1 h ILE 59 Cb 0.53 0.34 -0.15 0.00 -0.74 0.00 0.00 36.82 36.80 1xn1 h ILE 59 CO 0.00 0.06 -0.38 -2.65 0.00 0.00 0.00 178.15 175.18 1xn1 n PRO 60 N -4.72 -0.23 0.12 2.37 -0.02 -1.26 -0.48 135.00 130.78 1xn1 n PRO 60 Ca -0.04 1.47 -0.14 0.00 -2.02 0.00 0.00 63.50 62.78 1xn1 n PRO 60 Cb 0.12 -2.19 -0.08 0.00 -0.02 0.00 0.00 33.50 31.34 1xn1 n PRO 60 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1xn1 h LEU 61 N 0.00 -0.20 -0.44 2.45 5.85 -1.85 0.10 115.31 121.21 1xn1 h LEU 61 Ca 0.33 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 59.07 1xn1 h LEU 61 Cb 0.57 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 1xn1 h LEU 61 CO -0.95 -0.06 -0.02 -0.74 -0.34 0.00 0.00 178.44 176.33 1xn1 h HIS 62 N -0.33 -0.06 -0.29 1.25 2.76 -1.34 0.31 115.15 117.45 1xn1 h HIS 62 Ca -0.02 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.23 1xn1 h HIS 62 Cb 0.26 0.10 -0.05 0.00 1.55 0.00 0.00 27.41 29.26 1xn1 h HIS 62 CO -0.04 -0.11 -0.03 0.00 -1.30 0.00 0.00 177.93 176.45 1xn1 h ALA 63 N 1.40 0.23 -0.19 5.26 0.00 -0.51 0.26 119.26 125.70 1xn1 h ALA 63 Ca 0.22 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1xn1 h ALA 63 Cb 0.32 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1xn1 h ALA 63 CO -0.38 -0.43 0.12 -0.22 0.00 0.00 0.00 179.25 178.33 1xn1 h LYS 64 N 0.05 0.23 -0.59 0.00 3.64 0.13 0.62 116.57 120.66 1xn1 h LYS 64 Ca 0.14 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.57 1xn1 h LYS 64 Cb 0.19 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.90 1xn1 h LYS 64 CO -0.26 0.15 0.27 1.15 -2.27 0.00 0.00 179.45 178.50 1xn1 h THR 65 N 0.24 0.87 -0.17 1.00 2.02 0.32 -1.20 112.91 115.99 1xn1 h THR 65 Ca 0.07 -0.17 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 1xn1 h THR 65 Cb -0.02 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1xn1 h THR 65 CO -0.02 0.09 -0.16 -0.07 0.37 0.00 0.00 175.52 175.73 1xn1 h LEU 66 N 0.49 0.44 -1.55 2.58 3.38 0.01 -3.16 115.31 117.50 1xn1 h LEU 66 Ca 0.28 -0.47 0.07 0.00 0.09 0.00 0.00 57.88 57.85 1xn1 h LEU 66 Cb 0.26 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1xn1 h LEU 66 CO -0.23 0.82 0.40 0.00 0.09 0.00 0.00 178.44 179.51 1xn1 h ALA 67 N 0.64 1.86 0.00 1.53 0.00 0.62 -0.74 119.26 123.17 1xn1 h ALA 67 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xn1 h ALA 67 Cb 0.69 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xn1 h ALA 67 CO 0.04 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.32 1xn1 h ARG 68 N 0.54 0.00 0.00 0.00 3.08 -1.19 -0.75 114.38 116.05 1xn1 h ARG 68 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1xn1 h ARG 68 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1xn1 h ARG 68 CO -0.08 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.07 1xn1 n THR 69 N -2.35 0.50 -0.65 2.04 -2.24 -0.28 -4.86 114.28 106.44 1xn1 n THR 69 Ca 0.03 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1xn1 n THR 69 Cb 0.29 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 1xn1 n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xn1 n GLY 70 N 0.83 0.11 0.19 3.38 0.00 -0.29 -4.78 105.19 104.62 1xn1 n GLY 70 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 1xn1 n GLY 70 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xn1 h ARG 71 N 0.31 0.01 -5.77 1.61 3.08 -1.81 -3.44 114.38 108.36 1xn1 h ARG 71 Ca 0.00 -0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 1xn1 h ARG 71 Cb 0.17 -0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.13 1xn1 h ARG 71 CO 0.00 0.34 -0.53 0.71 -1.07 0.00 0.00 179.97 179.42 1xn1 s TYR 72 N -4.29 3.44 -1.11 3.04 1.51 -1.26 -4.30 117.35 114.39 1xn1 s TYR 72 Ca -0.03 0.40 0.24 0.00 -1.01 0.00 0.00 57.07 56.67 1xn1 s TYR 72 Cb 0.15 -1.88 0.35 0.00 -0.11 0.00 0.00 41.96 40.46 1xn1 s TYR 72 CO 0.72 0.64 1.30 0.00 -1.11 0.00 0.00 175.55 177.10 1xn1 n ALA 73 N 1.97 3.78 -3.64 3.71 0.00 -0.57 -4.88 120.51 120.88 1xn1 n ALA 73 Ca -0.19 -0.42 -0.09 0.00 0.00 0.00 0.00 53.44 52.74 1xn1 n ALA 73 Cb 0.54 -1.03 -0.07 0.00 0.00 0.00 0.00 19.45 18.89 1xn1 n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xn1 s ALA 74 N -2.93 -1.97 -0.01 0.00 0.00 -1.25 -4.19 121.76 111.40 1xn1 s ALA 74 Ca 0.12 2.02 0.02 0.00 0.00 0.00 0.00 51.96 54.12 1xn1 s ALA 74 Cb 0.17 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 1xn1 s ALA 74 CO 0.72 -0.29 -0.03 0.42 0.00 0.00 0.00 175.76 176.57 1xn1 s ILE 75 N 0.59 3.93 -0.11 0.00 -1.09 0.15 -1.66 121.20 123.01 1xn1 s ILE 75 Ca -0.01 -0.64 0.01 0.00 -2.23 0.00 0.00 60.65 57.78 1xn1 s ILE 75 Cb -0.05 -2.72 0.02 0.00 -1.58 0.00 0.00 42.46 38.13 1xn1 s ILE 75 CO -0.08 0.41 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.22 1xn1 s VAL 76 N -1.02 1.35 -0.30 2.92 1.01 0.15 -0.20 120.40 124.32 1xn1 s VAL 76 Ca 0.18 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 1xn1 s VAL 76 Cb -0.11 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.01 1xn1 s VAL 76 CO 0.08 0.41 0.10 -0.83 0.00 0.00 0.00 175.10 174.86 1xn1 s GLY 77 N 1.13 1.81 -0.17 4.51 0.00 -0.78 0.16 107.32 113.98 1xn1 s GLY 77 Ca -0.04 -1.44 -0.02 0.00 0.00 0.00 0.00 44.72 43.22 1xn1 s GLY 77 CO -0.03 0.66 -0.09 0.00 0.00 0.00 0.00 173.10 173.64 1xn1 s ALA 78 N 1.53 2.74 -0.08 3.20 0.00 0.17 -0.25 121.76 129.06 1xn1 s ALA 78 Ca 0.03 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 1xn1 s ALA 78 Cb -0.17 -1.45 0.07 0.00 0.00 0.00 0.00 23.12 21.57 1xn1 s ALA 78 CO 0.03 -0.05 0.70 0.00 0.00 0.00 0.00 175.76 176.44 1xn1 s ALA 79 N 0.83 -1.78 -0.64 0.00 0.00 -0.83 -2.24 121.76 117.11 1xn1 s ALA 79 Ca -0.03 1.42 -0.06 0.00 0.00 0.00 0.00 51.96 53.29 1xn1 s ALA 79 Cb -0.15 -0.17 0.17 0.00 0.00 0.00 0.00 23.12 22.96 1xn1 s ALA 79 CO 0.01 -0.36 0.49 0.12 0.00 0.00 0.00 175.76 176.01 1xn1 s PHE 80 N -1.00 3.50 -0.43 0.00 5.99 -1.26 -0.63 117.98 124.15 1xn1 s PHE 80 Ca -0.09 -2.44 -0.24 0.00 0.00 0.00 0.00 56.93 54.16 1xn1 s PHE 80 Cb -0.01 -3.37 0.02 0.00 0.00 0.00 0.00 43.02 39.66 1xn1 s PHE 80 CO 0.09 -0.90 0.82 0.08 -0.00 0.00 0.00 175.22 175.30 1xn1 s VAL 81 N 0.22 4.63 0.27 3.12 1.01 0.19 -4.90 120.40 124.93 1xn1 s VAL 81 Ca 0.15 0.62 0.09 0.00 0.00 0.00 0.00 61.98 62.84 1xn1 s VAL 81 Cb -0.19 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 1xn1 s VAL 81 CO -0.04 -0.68 0.08 -0.63 0.00 0.00 0.00 175.10 173.83 1xn1 s ILE 82 N 3.36 3.71 -0.66 2.22 1.01 -1.26 -3.99 121.20 125.59 1xn1 s ILE 82 Ca 0.32 -1.73 -0.18 0.00 0.00 0.00 0.00 60.65 59.06 1xn1 s ILE 82 Cb -0.12 -3.04 0.12 0.00 0.01 0.00 0.00 42.46 39.44 1xn1 s ILE 82 CO 0.22 -0.34 0.77 -0.62 0.00 0.00 0.00 174.94 174.96 1xn1 s ASP 83 N -3.75 6.31 0.00 3.58 3.68 -1.26 -4.56 116.67 120.67 1xn1 s ASP 83 Ca 0.33 -1.65 0.03 0.00 2.13 0.00 0.00 52.55 53.38 1xn1 s ASP 83 Cb -0.06 -2.30 0.18 0.00 -1.45 0.00 0.00 42.92 39.28 1xn1 s ASP 83 CO 0.22 -1.05 0.62 0.61 0.13 0.00 0.00 175.17 175.69 1xn1 n GLY 84 N 5.16 -0.44 4.25 2.66 0.00 -1.26 -4.82 105.19 110.74 1xn1 n GLY 84 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1xn1 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xn1 n GLY 85 N -0.07 2.15 0.01 -0.02 0.00 -1.26 -4.67 105.19 101.33 1xn1 n GLY 85 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 1xn1 n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xn1 n ILE 86 N -1.29 0.17 -4.14 -0.61 5.41 -1.26 -5.02 119.36 112.61 1xn1 n ILE 86 Ca 0.00 0.46 -0.23 0.00 1.00 0.00 0.00 62.75 63.99 1xn1 n ILE 86 Cb 0.00 -1.60 -0.05 0.00 -0.71 0.00 0.00 39.64 37.28 1xn1 n ILE 86 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1xn1 s TYR 87 N -1.18 3.06 0.14 1.39 1.51 -1.26 -5.08 117.35 115.92 1xn1 s TYR 87 Ca -0.02 -0.11 -0.30 0.00 -1.01 0.00 0.00 57.07 55.62 1xn1 s TYR 87 Cb 0.00 -1.39 -0.07 0.00 -0.11 0.00 0.00 41.96 40.39 1xn1 s TYR 87 CO 0.04 0.53 1.18 1.03 -1.11 0.00 0.00 175.55 177.22 1xn1 s ARG 88 N -3.68 4.49 -0.19 -0.62 0.52 -1.26 -4.12 118.95 114.09 1xn1 s ARG 88 Ca 0.32 1.82 -0.10 0.00 -0.52 0.00 0.00 55.73 57.24 1xn1 s ARG 88 Cb -0.08 -3.28 -0.21 0.00 0.52 0.00 0.00 34.95 31.90 1xn1 s ARG 88 CO 0.24 -0.11 0.12 -2.39 0.02 0.00 0.00 175.30 173.18 1xn1 n HIS 89 N 2.94 0.81 -0.29 -0.53 1.44 -1.26 -4.52 115.22 113.80 1xn1 n HIS 89 Ca 0.06 0.24 0.25 0.00 -2.01 0.00 0.00 57.72 56.25 1xn1 n HIS 89 Cb 0.45 -1.10 0.46 0.00 0.12 0.00 0.00 29.99 29.93 1xn1 n HIS 89 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1xn1 n ASP 90 N -3.82 0.22 -0.22 4.39 3.85 -1.26 -0.47 116.55 119.24 1xn1 n ASP 90 Ca -0.38 1.48 0.01 0.00 -0.71 0.00 0.00 54.79 55.19 1xn1 n ASP 90 Cb 0.91 -0.68 0.12 0.00 -1.35 0.00 0.00 41.12 40.13 1xn1 n ASP 90 CO 0.00 0.00 0.00 -0.26 -1.01 0.00 0.00 177.20 175.93 1xn1 h PHE 91 N 0.00 0.43 -0.00 2.11 0.05 -2.00 0.39 116.94 117.93 1xn1 h PHE 91 Ca 0.70 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 62.50 1xn1 h PHE 91 Cb 1.79 -0.09 0.00 0.00 2.00 0.00 0.00 35.95 39.65 1xn1 h PHE 91 CO -0.11 0.10 -0.12 0.28 -0.18 0.00 0.00 178.31 178.28 1xn1 h VAL 92 N 0.43 1.59 -0.35 -0.55 2.07 -1.07 -2.33 116.25 116.04 1xn1 h VAL 92 Ca 0.33 -1.90 0.07 0.00 0.82 0.00 0.00 66.70 66.01 1xn1 h VAL 92 Cb 0.42 2.83 -0.09 0.00 -1.52 0.00 0.00 31.29 32.94 1xn1 h VAL 92 CO -0.32 0.51 -0.41 0.00 0.02 0.00 0.00 177.57 177.37 1xn1 h ALA 93 N 0.23 -0.42 -0.09 1.67 0.00 -0.97 0.53 119.26 120.22 1xn1 h ALA 93 Ca -0.01 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1xn1 h ALA 93 Cb 0.89 0.83 -0.04 0.00 0.00 0.00 0.00 17.79 19.48 1xn1 h ALA 93 CO 0.02 -0.85 -0.33 1.15 0.00 0.00 0.00 179.25 179.24 1xn1 h THR 94 N -0.35 0.00 -1.10 0.00 2.02 -0.29 0.62 112.91 113.81 1xn1 h THR 94 Ca 0.13 0.00 0.34 0.00 0.77 0.00 0.00 66.41 67.65 1xn1 h THR 94 Cb 0.58 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.86 1xn1 h THR 94 CO -0.53 0.00 0.67 0.00 0.37 0.00 0.00 175.52 176.03 1xn1 h ALA 95 N -0.74 2.24 0.13 6.16 0.00 -0.62 0.34 119.26 126.78 1xn1 h ALA 95 Ca 0.02 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xn1 h ALA 95 Cb 0.41 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xn1 h ALA 95 CO -0.27 -0.81 -0.06 0.28 0.00 0.00 0.00 179.25 178.39 1xn1 h VAL 96 N 0.28 0.23 -0.99 0.00 2.07 0.23 0.53 116.25 118.60 1xn1 h VAL 96 Ca 0.73 -1.00 0.16 0.00 0.82 0.00 0.00 66.70 67.40 1xn1 h VAL 96 Cb 1.89 0.41 -0.10 0.00 -1.52 0.00 0.00 31.29 31.97 1xn1 h VAL 96 CO -0.48 0.07 0.60 0.40 0.02 0.00 0.00 177.57 178.18 1xn1 h ILE 97 N -1.03 0.78 -0.02 4.57 5.03 0.80 0.19 117.51 127.84 1xn1 h ILE 97 Ca -0.02 -0.28 -0.01 0.00 -0.12 0.00 0.00 64.86 64.43 1xn1 h ILE 97 Cb 0.25 -0.12 -0.00 0.00 -3.03 0.00 0.00 36.82 33.92 1xn1 h ILE 97 CO 0.03 0.15 -0.02 0.78 -0.68 0.00 0.00 178.15 178.42 1xn1 h ASN 98 N 0.83 0.05 -0.70 1.72 -0.26 -0.42 -2.80 115.58 114.00 1xn1 h ASN 98 Ca 0.54 -0.47 0.15 0.00 -0.56 0.00 0.00 56.30 55.95 1xn1 h ASN 98 Cb 0.73 -0.01 -0.13 0.00 -1.06 0.00 0.00 38.32 37.85 1xn1 h ASN 98 CO -0.34 0.51 -0.08 1.23 -1.06 0.00 0.00 177.43 177.69 1xn1 h GLY 99 N -0.42 0.64 0.93 2.83 0.00 0.24 0.28 103.07 107.57 1xn1 h GLY 99 Ca 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 1xn1 h GLY 99 CO 0.00 -0.26 0.12 -0.33 0.00 0.00 0.00 176.54 176.07 1xn1 h MET 100 N 0.05 0.57 -0.29 4.80 2.86 -0.76 0.45 114.93 122.61 1xn1 h MET 100 Ca 0.36 -0.12 0.07 0.00 -2.06 0.00 0.00 59.70 57.94 1xn1 h MET 100 Cb 0.59 -0.08 -0.07 0.00 0.06 0.00 0.00 31.60 32.09 1xn1 h MET 100 CO -0.66 0.58 -0.19 1.98 1.06 0.00 0.00 176.91 179.68 1xn1 h MET 101 N 0.44 -0.16 -0.20 1.72 -1.53 -0.71 0.16 114.93 114.65 1xn1 h MET 101 Ca 0.12 0.01 0.05 0.00 -3.44 0.00 0.00 59.70 56.44 1xn1 h MET 101 Cb 0.25 0.04 -0.06 0.00 -0.55 0.00 0.00 31.60 31.28 1xn1 h MET 101 CO -0.00 -0.11 -0.15 0.37 0.14 0.00 0.00 176.91 177.15 1xn1 h GLN 102 N -0.17 -0.15 -0.12 0.39 4.15 -0.10 -1.43 115.11 117.68 1xn1 h GLN 102 Ca 0.15 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.62 1xn1 h GLN 102 Cb 0.40 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.08 1xn1 h GLN 102 CO -0.39 -0.10 -0.16 0.28 -1.93 0.00 0.00 178.83 176.53 1xn1 h VAL 103 N -0.16 0.57 -0.53 2.39 2.07 0.34 -0.29 116.25 120.65 1xn1 h VAL 103 Ca 0.12 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.65 1xn1 h VAL 103 Cb 0.34 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1xn1 h VAL 103 CO -0.30 0.00 0.35 0.06 0.02 0.00 0.00 177.57 177.70 1xn1 h GLN 104 N -0.21 0.67 0.00 1.57 3.07 -0.17 0.27 115.11 120.31 1xn1 h GLN 104 Ca 0.09 -0.04 -0.12 0.00 0.09 0.00 0.00 58.65 58.67 1xn1 h GLN 104 Cb 0.34 -0.15 -0.02 0.00 0.08 0.00 0.00 27.48 27.74 1xn1 h GLN 104 CO -0.25 0.44 -0.57 -0.07 0.09 0.00 0.00 178.83 178.48 1xn1 h LEU 105 N 0.69 0.00 -0.10 0.06 3.38 -0.66 0.64 115.31 119.33 1xn1 h LEU 105 Ca 0.20 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.99 1xn1 h LEU 105 Cb -0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.71 1xn1 h LEU 105 CO -0.04 0.57 -0.65 -0.08 0.09 0.00 0.00 178.44 178.33 1xn1 h GLU 106 N 0.00 0.61 -0.09 1.13 4.81 0.73 -3.32 114.58 118.46 1xn1 h GLU 106 Ca -0.01 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1xn1 h GLU 106 Cb 1.11 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1xn1 h GLU 106 CO 0.07 1.15 0.00 0.25 -0.73 0.00 0.00 179.01 179.75 1xn1 n THR 107 N -4.10 0.12 -3.49 0.32 -2.24 0.76 -4.96 114.28 100.68 1xn1 n THR 107 Ca -0.08 -0.56 -0.23 0.00 -2.27 0.00 0.00 64.05 60.90 1xn1 n THR 107 Cb 0.68 1.27 -0.02 0.00 -2.10 0.00 0.00 70.33 70.15 1xn1 n THR 107 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xn1 n GLU 108 N 1.03 -2.58 -4.04 -0.78 1.02 0.22 -4.91 120.64 110.61 1xn1 n GLU 108 Ca 0.12 0.28 -0.31 0.00 -0.02 0.00 0.00 57.16 57.22 1xn1 n GLU 108 Cb 0.46 -4.91 -0.16 0.00 -0.02 0.00 0.00 31.44 26.81 1xn1 n GLU 108 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xn1 s VAL 109 N -2.81 1.86 -0.00 2.62 1.01 -1.18 -5.05 120.40 116.85 1xn1 s VAL 109 Ca 0.43 -1.17 -0.37 0.00 0.00 0.00 0.00 61.98 60.87 1xn1 s VAL 109 Cb -0.24 -1.90 -0.16 0.00 0.00 0.00 0.00 36.38 34.08 1xn1 s VAL 109 CO 0.53 0.18 1.52 -2.65 0.00 0.00 0.00 175.10 174.67 1xn1 n PRO 110 N 4.60 1.39 -4.05 2.72 -0.02 -1.26 -4.38 135.00 134.00 1xn1 n PRO 110 Ca -0.16 0.50 -0.32 0.00 -2.02 0.00 0.00 63.50 61.51 1xn1 n PRO 110 Cb 0.46 -2.19 -0.15 0.00 -0.02 0.00 0.00 33.50 31.59 1xn1 n PRO 110 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xn1 s VAL 111 N 1.58 2.20 0.34 -1.45 1.01 -1.25 0.30 120.40 123.13 1xn1 s VAL 111 Ca 0.88 -1.85 -0.20 0.00 0.00 0.00 0.00 61.98 60.80 1xn1 s VAL 111 Cb -0.92 -2.40 -0.10 0.00 0.00 0.00 0.00 36.38 32.97 1xn1 s VAL 111 CO 0.50 -0.20 0.85 -0.76 0.00 0.00 0.00 175.10 175.49 1xn1 s LEU 112 N 1.04 4.13 -0.26 3.92 1.02 0.72 -4.89 118.68 124.36 1xn1 s LEU 112 Ca -0.03 1.56 -0.07 0.00 0.02 0.00 0.00 54.13 55.61 1xn1 s LEU 112 Cb -0.20 -4.14 -0.02 0.00 0.02 0.00 0.00 46.19 41.85 1xn1 s LEU 112 CO -0.06 -0.19 0.06 -0.55 0.02 0.00 0.00 176.35 175.63 1xn1 s SER 113 N -2.00 5.06 -0.16 2.29 0.15 -1.26 -1.86 113.70 115.92 1xn1 s SER 113 Ca 0.54 -0.33 0.14 0.00 0.70 0.00 0.00 55.95 57.00 1xn1 s SER 113 Cb -0.13 -1.90 0.39 0.00 -1.71 0.00 0.00 66.02 62.68 1xn1 s SER 113 CO 0.18 -0.07 1.20 0.52 1.20 0.00 0.00 173.24 176.27 1xn1 n VAL 114 N 4.90 1.78 -3.06 4.45 0.31 0.65 -4.89 118.33 122.48 1xn1 n VAL 114 Ca -0.16 -2.70 -0.45 0.00 -0.01 0.00 0.00 64.34 61.02 1xn1 n VAL 114 Cb 0.51 -0.04 -0.03 0.00 -0.91 0.00 0.00 33.84 33.37 1xn1 n VAL 114 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1xn1 s VAL 115 N -2.62 4.95 0.00 2.52 1.01 -1.02 -1.96 120.40 123.28 1xn1 s VAL 115 Ca 0.36 -1.65 -0.02 0.00 0.00 0.00 0.00 61.98 60.67 1xn1 s VAL 115 Cb 0.35 -4.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1xn1 s VAL 115 CO -0.07 -1.32 0.19 -0.76 0.00 0.00 0.00 175.10 173.14 1xn1 s LEU 116 N 2.11 4.37 -0.28 3.92 2.01 0.20 -4.87 118.68 126.14 1xn1 s LEU 116 Ca 0.25 0.34 0.01 0.00 0.01 0.00 0.00 54.13 54.73 1xn1 s LEU 116 Cb -0.10 -2.67 0.08 0.00 0.01 0.00 0.00 46.19 43.51 1xn1 s LEU 116 CO -0.06 0.25 0.03 -0.89 1.01 0.00 0.00 176.35 176.69 1xn1 s THR 117 N -1.35 1.38 0.75 5.49 2.01 -1.26 -0.63 115.64 122.02 1xn1 s THR 117 Ca 0.29 -1.48 -0.11 0.00 0.31 0.00 0.00 61.69 60.69 1xn1 s THR 117 Cb -0.13 -1.89 0.04 0.00 0.01 0.00 0.00 72.50 70.54 1xn1 s THR 117 CO 0.20 -0.43 1.09 -2.16 -0.69 0.00 0.00 174.62 172.63 1xn1 s PRO 118 N 1.40 2.38 0.03 4.92 0.04 -1.26 -4.95 135.00 137.57 1xn1 s PRO 118 Ca 0.04 1.19 -0.21 0.00 0.04 0.00 0.00 61.00 62.05 1xn1 s PRO 118 Cb -0.18 -1.91 -0.15 0.00 0.04 0.00 0.00 34.50 32.30 1xn1 s PRO 118 CO -0.14 -1.55 1.38 0.45 0.04 0.00 0.00 177.00 177.18 1xn1 h HIS 119 N -0.92 0.31 -3.90 0.56 3.86 -2.00 -3.45 115.15 109.61 1xn1 h HIS 119 Ca -0.44 -0.08 -0.37 0.00 -1.16 0.00 0.00 60.37 58.32 1xn1 h HIS 119 Cb 1.23 -0.07 -0.21 0.00 1.06 0.00 0.00 27.41 29.43 1xn1 h HIS 119 CO 0.58 0.62 -0.76 -1.01 0.86 0.00 0.00 177.93 178.22 1xn1 s HIS 120 N -4.50 1.07 -0.30 2.45 3.76 -1.26 -4.98 115.29 111.54 1xn1 s HIS 120 Ca -0.14 -0.51 -0.14 0.00 -0.15 0.00 0.00 55.06 54.12 1xn1 s HIS 120 Cb 0.05 -0.60 0.18 0.00 1.11 0.00 0.00 32.58 33.31 1xn1 s HIS 120 CO 0.73 0.02 1.11 0.12 -0.85 0.00 0.00 174.74 175.87 1xn1 s PHE 121 N -1.54 -0.34 -0.04 1.40 5.36 -1.26 -5.09 117.98 116.47 1xn1 s PHE 121 Ca -0.02 0.28 0.02 0.00 -0.96 0.00 0.00 56.93 56.25 1xn1 s PHE 121 Cb -0.09 0.09 -0.03 0.00 -0.34 0.00 0.00 43.02 42.65 1xn1 s PHE 121 CO 0.01 -0.19 -0.08 -1.01 -1.46 0.00 0.00 175.22 172.50 1xn1 s HIS 121 N 2.97 2.90 0.11 10.12 3.76 -1.26 -4.81 115.29 129.08 1xn1 s HIS 121 Ca 0.10 -0.02 -0.34 0.00 -0.15 0.00 0.00 55.06 54.65 1xn1 s HIS 121 Cb -0.06 -1.66 -0.14 0.00 1.11 0.00 0.00 32.58 31.83 1xn1 s HIS 121 CO -0.15 0.33 1.61 -0.85 -0.85 0.00 0.00 174.74 174.84 1xn1 n GLU 121 N 1.98 2.09 0.00 1.40 0.00 -1.26 -4.62 120.64 120.24 1xn1 n GLU 121 Ca -0.17 0.76 0.00 0.00 0.00 0.00 0.00 57.16 57.75 1xn1 n GLU 121 Cb 0.53 -2.53 0.00 0.00 0.00 0.00 0.00 31.44 29.44 1xn1 n GLU 121 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1xn1 n SER 121 N 3.89 0.00 -0.34 -1.84 3.41 -1.26 -4.98 113.62 112.50 1xn1 n SER 121 Ca 0.18 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.95 1xn1 n SER 121 Cb 0.28 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.59 1xn1 n SER 121 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1xn1 h LYS 122 N 0.00 0.54 0.32 4.33 5.09 -1.98 0.19 116.57 125.07 1xn1 h LYS 122 Ca 0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 60.65 60.69 1xn1 h LYS 122 Cb 0.00 -0.12 0.00 0.00 0.10 0.00 0.00 32.23 32.21 1xn1 h LYS 122 CO 0.00 0.36 -0.15 0.93 -2.09 0.00 0.00 179.45 178.50 1xn1 h GLU 123 N 0.56 -0.41 0.97 0.07 3.07 -1.95 -0.90 114.58 115.99 1xn1 h GLU 123 Ca 0.61 0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.46 1xn1 h GLU 123 Cb 1.14 0.09 0.01 0.00 -0.84 0.00 0.00 28.75 29.15 1xn1 h GLU 123 CO -0.47 -0.12 -0.47 0.45 -1.40 0.00 0.00 179.01 177.00 1xn1 h HIS 124 N -0.70 -1.21 -0.46 4.33 3.86 -1.60 -1.98 115.15 117.39 1xn1 h HIS 124 Ca -0.04 -0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.21 1xn1 h HIS 124 Cb 0.48 0.40 -0.09 0.00 1.06 0.00 0.00 27.41 29.26 1xn1 h HIS 124 CO 0.01 -0.75 -0.43 1.25 0.86 0.00 0.00 177.93 178.87 1xn1 h HIS 125 N -1.32 -1.26 -0.59 2.45 6.17 -0.74 0.32 115.15 120.18 1xn1 h HIS 125 Ca -0.13 0.07 0.12 0.00 0.71 0.00 0.00 60.37 61.14 1xn1 h HIS 125 Cb 1.00 0.61 -0.10 0.00 2.52 0.00 0.00 27.41 31.44 1xn1 h HIS 125 CO 0.01 -0.43 -0.00 -0.44 0.71 0.00 0.00 177.93 177.77 1xn1 h ASP 126 N -0.30 -0.27 0.06 3.26 3.45 -1.15 0.40 116.42 121.88 1xn1 h ASP 126 Ca 0.15 0.15 0.03 0.00 0.43 0.00 0.00 57.03 57.78 1xn1 h ASP 126 Cb 0.58 0.26 -0.04 0.00 -0.56 0.00 0.00 39.33 39.56 1xn1 h ASP 126 CO -0.61 -0.11 -0.31 0.15 -1.57 0.00 0.00 179.24 176.80 1xn1 h PHE 127 N 0.11 -0.84 -0.18 4.55 3.57 -0.17 -0.05 116.94 123.94 1xn1 h PHE 127 Ca 0.30 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.64 1xn1 h PHE 127 Cb 0.48 0.36 -0.00 0.00 2.79 0.00 0.00 35.95 39.58 1xn1 h PHE 127 CO -0.36 -0.41 -0.64 0.74 -2.23 0.00 0.00 178.31 175.42 1xn1 h PHE 128 N -0.49 0.82 -0.85 0.41 -1.00 -0.95 0.60 116.94 115.48 1xn1 h PHE 128 Ca 0.05 -0.32 0.19 0.00 2.81 0.00 0.00 57.97 60.69 1xn1 h PHE 128 Cb 0.55 -0.14 -0.11 0.00 3.61 0.00 0.00 35.95 39.86 1xn1 h PHE 128 CO -0.31 1.10 0.37 1.25 -1.61 0.00 0.00 178.31 179.11 1xn1 h HIS 129 N 0.47 0.61 0.12 -0.55 2.76 0.13 0.69 115.15 119.38 1xn1 h HIS 129 Ca -0.01 0.04 -0.17 0.00 -2.20 0.00 0.00 60.37 58.02 1xn1 h HIS 129 Cb 1.22 -0.14 0.02 0.00 1.55 0.00 0.00 27.41 30.06 1xn1 h HIS 129 CO 0.06 0.01 -0.75 0.00 -1.30 0.00 0.00 177.93 175.94 1xn1 h ALA 130 N 1.65 -0.07 -0.42 5.26 0.00 -0.76 -3.36 119.26 121.57 1xn1 h ALA 130 Ca 0.51 -0.67 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1xn1 h ALA 130 Cb 0.89 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1xn1 h ALA 130 CO -0.48 0.35 0.05 1.25 0.00 0.00 0.00 179.25 180.43 1xn1 h HIS 131 N -0.37 0.66 -0.00 0.00 6.17 0.15 -1.76 115.15 119.99 1xn1 h HIS 131 Ca -0.13 -0.06 0.00 0.00 0.71 0.00 0.00 60.37 60.89 1xn1 h HIS 131 Cb 1.58 -0.19 -0.00 0.00 2.52 0.00 0.00 27.41 31.32 1xn1 h HIS 131 CO 0.20 0.60 0.01 0.74 0.71 0.00 0.00 177.93 180.19 1xn1 h PHE 132 N 0.62 0.00 -0.19 5.26 -1.00 0.19 0.24 116.94 122.07 1xn1 h PHE 132 Ca 0.14 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.79 1xn1 h PHE 132 Cb 0.31 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 1xn1 h PHE 132 CO 0.01 0.00 -0.40 -0.22 -1.61 0.00 0.00 178.31 176.09 1xn1 h LYS 133 N 0.00 0.43 0.31 1.51 3.64 -1.47 -1.00 116.57 119.99 1xn1 h LYS 133 Ca 0.00 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.15 1xn1 h LYS 133 Cb 0.03 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1xn1 h LYS 133 CO -0.00 0.76 -0.15 0.28 -2.27 0.00 0.00 179.45 178.07 1xn1 h VAL 134 N 0.36 0.00 0.00 2.00 2.07 -0.62 -2.98 116.25 117.09 1xn1 h VAL 134 Ca 0.03 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1xn1 h VAL 134 Cb 0.86 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1xn1 h VAL 134 CO 0.07 0.00 0.56 0.11 0.02 0.00 0.00 177.57 178.34 1xn1 h LYS 135 N -0.68 0.00 0.11 1.57 1.79 -1.34 0.35 116.57 118.36 1xn1 h LYS 135 Ca -0.04 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.23 1xn1 h LYS 135 Cb 0.32 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1xn1 h LYS 135 CO 0.07 0.00 -0.96 0.78 -1.08 0.00 0.00 179.45 178.26 1xn1 h GLY 136 N 0.00 0.26 0.95 3.86 0.00 -1.09 -2.86 103.07 104.19 1xn1 h GLY 136 Ca 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 47.33 46.67 1xn1 h GLY 136 CO 0.00 0.59 0.11 -2.08 0.00 0.00 0.00 176.54 175.16 1xn1 h VAL 137 N -0.46 1.02 -0.19 4.60 2.07 -0.19 -1.72 116.25 121.39 1xn1 h VAL 137 Ca -0.20 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1xn1 h VAL 137 Cb 1.59 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 1xn1 h VAL 137 CO 0.08 0.04 -0.15 -0.33 0.02 0.00 0.00 177.57 177.24 1xn1 h GLU 138 N 0.24 -0.15 -1.00 1.57 5.08 -1.47 -0.17 114.58 118.68 1xn1 h GLU 138 Ca 0.08 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.67 1xn1 h GLU 138 Cb -0.00 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.18 1xn1 h GLU 138 CO -0.04 -0.10 0.62 0.00 -1.00 0.00 0.00 179.01 178.49 1xn1 h ALA 139 N 0.97 1.88 0.57 3.43 0.00 -1.19 0.21 119.26 125.12 1xn1 h ALA 139 Ca 0.11 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1xn1 h ALA 139 Cb 0.32 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1xn1 h ALA 139 CO -0.28 -0.28 -0.27 0.00 0.00 0.00 0.00 179.25 178.41 1xn1 h ALA 140 N 1.66 -1.19 -0.84 0.00 0.00 -0.16 0.77 119.26 119.51 1xn1 h ALA 140 Ca 0.59 -0.17 0.24 0.00 0.00 0.00 0.00 54.91 55.58 1xn1 h ALA 140 Cb 1.15 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1xn1 h ALA 140 CO -0.37 -1.13 0.62 0.45 0.00 0.00 0.00 179.25 178.82 1xn1 h HIS 141 N -0.77 0.00 0.06 0.00 3.86 -0.41 0.64 115.15 118.53 1xn1 h HIS 141 Ca -0.08 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.88 1xn1 h HIS 141 Cb 0.58 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.08 1xn1 h HIS 141 CO 0.10 0.00 -1.02 0.00 0.86 0.00 0.00 177.93 177.87 1xn1 h ALA 142 N 1.54 0.04 0.49 2.45 0.00 -0.17 -0.60 119.26 123.01 1xn1 h ALA 142 Ca 0.40 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1xn1 h ALA 142 Cb 1.64 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1xn1 h ALA 142 CO -0.00 0.59 -0.36 0.00 0.00 0.00 0.00 179.25 179.48 1xn1 h ALA 143 N 0.31 -0.85 -0.06 0.00 0.00 0.61 0.39 119.26 119.65 1xn1 h ALA 143 Ca -0.15 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1xn1 h ALA 143 Cb 1.71 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 19.93 1xn1 h ALA 143 CO 0.20 -1.00 -0.12 -0.07 0.00 0.00 0.00 179.25 178.25 1xn1 h LEU 144 N -0.83 -0.37 -0.18 0.00 3.38 -0.87 -0.37 115.31 116.08 1xn1 h LEU 144 Ca -0.05 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1xn1 h LEU 144 Cb 0.70 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.56 1xn1 h LEU 144 CO 0.02 -0.17 -0.22 -0.61 0.09 0.00 0.00 178.44 177.55 1xn1 h GLN 145 N -0.18 -0.25 -0.08 1.13 4.15 -0.89 -0.70 115.11 118.29 1xn1 h GLN 145 Ca 0.07 0.02 -0.18 0.00 0.77 0.00 0.00 58.65 59.32 1xn1 h GLN 145 Cb 0.27 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1xn1 h GLN 145 CO -0.17 -0.16 -0.72 0.97 -1.93 0.00 0.00 178.83 176.82 1xn1 h ILE 146 N -0.26 1.38 -0.48 2.39 6.09 -0.77 -2.03 117.51 123.83 1xn1 h ILE 146 Ca 0.12 -2.12 -0.04 0.00 -1.37 0.00 0.00 64.86 61.45 1xn1 h ILE 146 Cb 0.43 2.09 -0.02 0.00 0.47 0.00 0.00 36.82 39.79 1xn1 h ILE 146 CO -0.33 0.64 0.13 0.58 -3.07 0.00 0.00 178.15 176.09 1xn1 h VAL 147 N 0.28 1.23 -0.22 2.19 2.07 -0.83 -0.15 116.25 120.81 1xn1 h VAL 147 Ca -0.03 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1xn1 h VAL 147 Cb 1.29 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1xn1 h VAL 147 CO 0.12 0.29 0.05 0.77 0.02 0.00 0.00 177.57 178.82 1xn1 h SER 148 N 0.64 0.34 -0.90 0.57 4.64 -1.12 -2.52 113.55 115.22 1xn1 h SER 148 Ca 0.15 -0.24 0.04 0.00 -0.47 0.00 0.00 61.79 61.27 1xn1 h SER 148 Cb 0.31 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.26 1xn1 h SER 148 CO -0.00 0.50 0.58 -0.08 -0.87 0.00 0.00 176.83 176.96 1xn1 h GLU 149 N 0.17 1.07 -0.01 4.77 4.57 -1.21 -0.94 114.58 123.01 1xn1 h GLU 149 Ca 0.07 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 1xn1 h GLU 149 Cb 0.30 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1xn1 h GLU 149 CO 0.00 0.71 -0.27 0.00 -1.18 0.00 0.00 179.01 178.27 1xn1 h ARG 150 N 1.11 0.01 0.03 1.92 3.08 -0.86 -2.89 114.38 116.78 1xn1 h ARG 150 Ca 0.36 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.41 1xn1 h ARG 150 Cb 0.04 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1xn1 h ARG 150 CO -0.13 0.28 -0.01 0.77 -1.07 0.00 0.00 179.97 179.81 1xn1 h SER 151 N 0.01 -0.03 -1.47 7.04 0.02 -0.77 -2.85 113.55 115.49 1xn1 h SER 151 Ca -0.00 -0.39 0.45 0.00 -0.84 0.00 0.00 61.79 61.00 1xn1 h SER 151 Cb 0.49 0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.94 1xn1 h SER 151 CO 0.04 0.38 1.00 0.08 -1.14 0.00 0.00 176.83 177.19 1xn1 h ARG 152 N -0.46 0.07 0.00 3.45 -0.00 -1.09 -3.52 114.38 112.84 1xn1 h ARG 152 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 1xn1 h ARG 152 Cb 0.43 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.38 1xn1 h ARG 152 CO 0.01 0.04 0.00 -0.89 -0.00 0.00 0.00 179.97 179.13