#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn1 h SER 12 N 0.00 0.08 -5.03 1.09 4.64 -0.10 -3.47 113.55 110.76 1xn1 h SER 12 Ca 0.00 -0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 1xn1 h SER 12 Cb 0.00 -0.02 -0.13 0.00 -0.31 0.00 0.00 62.40 61.94 1xn1 h SER 12 CO 0.00 0.19 0.09 0.72 -0.87 0.00 0.00 176.83 176.96 1xn1 s PHE 13 N -5.68 -0.42 0.12 4.77 -0.12 -1.24 -5.03 117.98 110.38 1xn1 s PHE 13 Ca -0.14 0.25 0.03 0.00 -0.05 0.00 0.00 56.93 57.03 1xn1 s PHE 13 Cb 0.06 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 1xn1 s PHE 13 CO 0.68 -0.76 0.14 0.15 -0.05 0.00 0.00 175.22 175.38 1xn1 s LYS 14 N -3.45 3.04 -0.06 1.99 1.02 -1.26 -1.89 119.74 119.12 1xn1 s LYS 14 Ca 0.00 -0.71 0.00 0.00 0.02 0.00 0.00 55.97 55.28 1xn1 s LYS 14 Cb -0.00 -2.77 0.02 0.00 -0.52 0.00 0.00 37.83 34.56 1xn1 s LYS 14 CO -0.10 0.54 -0.03 0.42 -0.92 0.00 0.00 175.35 175.25 1xn1 s ILE 15 N -1.58 0.56 -0.19 2.17 1.01 -0.92 -1.31 121.20 120.94 1xn1 s ILE 15 Ca 0.31 -0.07 -0.21 0.00 0.00 0.00 0.00 60.65 60.69 1xn1 s ILE 15 Cb -0.11 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 1xn1 s ILE 15 CO 0.24 0.26 0.63 0.00 0.00 0.00 0.00 174.94 176.07 1xn1 s ALA 16 N 1.38 3.53 -0.45 9.38 0.00 -0.92 -0.59 121.76 134.10 1xn1 s ALA 16 Ca -0.04 -0.24 -0.07 0.00 0.00 0.00 0.00 51.96 51.61 1xn1 s ALA 16 Cb -0.13 -2.97 0.11 0.00 0.00 0.00 0.00 23.12 20.13 1xn1 s ALA 16 CO -0.03 -0.52 0.30 0.12 0.00 0.00 0.00 175.76 175.63 1xn1 s PHE 17 N 1.83 3.46 -0.51 0.00 5.36 0.36 0.02 117.98 128.49 1xn1 s PHE 17 Ca 0.29 -1.99 -0.20 0.00 -0.96 0.00 0.00 56.93 54.08 1xn1 s PHE 17 Cb -0.16 -3.37 0.06 0.00 -0.34 0.00 0.00 43.02 39.21 1xn1 s PHE 17 CO 0.11 -0.98 0.66 0.42 -1.46 0.00 0.00 175.22 173.97 1xn1 s ILE 18 N 1.31 4.83 -0.07 3.12 1.01 0.80 -1.22 121.20 130.97 1xn1 s ILE 18 Ca 0.06 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1xn1 s ILE 18 Cb -0.25 -4.33 -0.02 0.00 0.01 0.00 0.00 42.46 37.87 1xn1 s ILE 18 CO -0.01 -0.85 -0.12 0.00 0.00 0.00 0.00 174.94 173.96 1xn1 s GLN 19 N 2.75 2.79 0.82 2.79 -2.07 -0.93 -0.20 119.66 125.60 1xn1 s GLN 19 Ca 0.16 -0.65 -0.11 0.00 -1.82 0.00 0.00 55.36 52.94 1xn1 s GLN 19 Cb -0.19 -2.50 0.08 0.00 -1.09 0.00 0.00 33.01 29.31 1xn1 s GLN 19 CO 0.12 0.54 1.09 0.00 -1.32 0.00 0.00 175.29 175.72 1xn1 s ALA 20 N -0.49 2.02 -0.07 2.60 0.00 0.14 -2.04 121.76 123.92 1xn1 s ALA 20 Ca 0.07 -0.04 -0.26 0.00 0.00 0.00 0.00 51.96 51.73 1xn1 s ALA 20 Cb -0.12 -3.18 -0.24 0.00 0.00 0.00 0.00 23.12 19.59 1xn1 s ALA 20 CO 0.02 -1.93 0.99 0.00 0.00 0.00 0.00 175.76 174.84 1xn1 h ARG 21 N -1.24 0.10 -6.45 0.00 2.47 0.36 -3.43 114.38 106.18 1xn1 h ARG 21 Ca -0.47 -0.11 -0.62 0.00 -1.26 0.00 0.00 59.98 57.52 1xn1 h ARG 21 Cb 1.26 0.03 0.08 0.00 -1.65 0.00 0.00 29.97 29.69 1xn1 h ARG 21 CO 0.56 0.88 0.46 0.91 0.56 0.00 0.00 179.97 183.34 1xn1 n TRP 22 N -4.58 1.75 -2.34 3.04 5.03 -1.20 -1.89 117.44 117.25 1xn1 n TRP 22 Ca -0.10 0.54 -0.21 0.00 3.03 0.00 0.00 57.50 60.77 1xn1 n TRP 22 Cb 0.46 -2.38 -0.02 0.00 -1.03 0.00 0.00 31.31 28.35 1xn1 n TRP 22 CO 0.00 0.00 0.00 0.72 -0.03 0.00 0.00 177.69 178.38 1xn1 n HIS 23 N 1.82 -0.94 -0.35 -5.99 8.25 -1.26 -4.44 115.22 112.32 1xn1 n HIS 23 Ca 0.14 0.00 0.28 0.00 -0.26 0.00 0.00 57.72 57.88 1xn1 n HIS 23 Cb 0.28 -3.92 0.58 0.00 1.12 0.00 0.00 29.99 28.05 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 0.92 2.51 -0.97 -1.41 0.00 -1.64 0.69 119.26 119.36 1xn1 h ALA 24 Ca -0.49 0.05 0.25 0.00 0.00 0.00 0.00 54.91 54.73 1xn1 h ALA 24 Cb 1.36 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 19.10 1xn1 h ALA 24 CO 0.58 -0.94 0.52 0.22 0.00 0.00 0.00 179.25 179.63 1xn1 h ASP 25 N 0.26 0.53 0.01 0.00 1.82 -1.88 0.52 116.42 117.66 1xn1 h ASP 25 Ca 0.63 0.15 -0.40 0.00 -0.39 0.00 0.00 57.03 57.02 1xn1 h ASP 25 Cb 1.86 0.09 -0.06 0.00 0.68 0.00 0.00 39.33 41.90 1xn1 h ASP 25 CO -0.26 0.02 -2.22 -0.38 -1.61 0.00 0.00 179.24 174.79 1xn1 n ILE 26 N -4.98 1.54 -0.14 2.25 5.41 0.21 -4.19 119.36 119.46 1xn1 n ILE 26 Ca 0.26 -0.33 -0.04 0.00 1.00 0.00 0.00 62.75 63.64 1xn1 n ILE 26 Cb 0.77 -1.87 0.03 0.00 -0.71 0.00 0.00 39.64 37.86 1xn1 n ILE 26 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1xn1 h VAL 27 N -0.86 0.47 -1.09 1.39 2.07 -0.32 0.92 116.25 118.83 1xn1 h VAL 27 Ca -0.60 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.22 1xn1 h VAL 27 Cb 1.59 0.47 -0.11 0.00 -1.52 0.00 0.00 31.29 31.73 1xn1 h VAL 27 CO -0.32 0.00 0.69 0.44 0.02 0.00 0.00 177.57 178.40 1xn1 h ASP 28 N -0.04 0.42 -0.52 0.57 3.45 -0.17 0.38 116.42 120.51 1xn1 h ASP 28 Ca 0.22 0.10 0.02 0.00 0.43 0.00 0.00 57.03 57.81 1xn1 h ASP 28 Cb 0.38 0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 39.17 1xn1 h ASP 28 CO -0.50 0.02 0.34 -0.08 -1.57 0.00 0.00 179.24 177.46 1xn1 h GLU 29 N 0.34 0.62 0.17 3.56 4.57 -0.98 0.19 114.58 123.05 1xn1 h GLU 29 Ca 0.65 -0.04 -0.31 0.00 -1.18 0.00 0.00 59.36 58.48 1xn1 h GLU 29 Cb 1.71 -0.14 0.03 0.00 -0.16 0.00 0.00 28.75 30.20 1xn1 h GLU 29 CO -0.35 0.41 -1.32 0.00 -1.18 0.00 0.00 179.01 176.57 1xn1 h ALA 30 N 1.69 -0.07 -0.79 2.92 0.00 -0.24 -2.69 119.26 120.09 1xn1 h ALA 30 Ca 0.20 -0.80 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 1xn1 h ALA 30 Cb 0.02 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1xn1 h ALA 30 CO -0.05 0.68 0.32 -0.09 0.00 0.00 0.00 179.25 180.10 1xn1 h ARG 31 N 0.21 1.17 -0.18 0.00 2.43 -0.86 0.84 114.38 117.99 1xn1 h ARG 31 Ca -0.21 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 58.73 1xn1 h ARG 31 Cb 2.00 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 31.36 1xn1 h ARG 31 CO 0.25 0.94 0.02 0.87 -1.51 0.00 0.00 179.97 180.55 1xn1 h LYS 32 N 1.14 0.29 0.00 0.20 1.57 -0.69 -1.63 116.57 117.46 1xn1 h LYS 32 Ca 0.26 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1xn1 h LYS 32 Cb 0.21 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1xn1 h LYS 32 CO -0.02 0.47 -0.31 0.66 -0.57 0.00 0.00 179.45 179.68 1xn1 h SER 33 N 0.07 0.00 0.20 0.86 4.64 -1.33 -1.24 113.55 116.76 1xn1 h SER 33 Ca 0.05 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1xn1 h SER 33 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1xn1 h SER 33 CO 0.00 0.31 -0.10 0.15 -0.87 0.00 0.00 176.83 176.33 1xn1 h PHE 34 N 0.00 -0.25 -0.87 4.77 3.57 -0.68 -1.23 116.94 122.25 1xn1 h PHE 34 Ca -0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1xn1 h PHE 34 Cb 0.80 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 1xn1 h PHE 34 CO 0.00 0.14 0.57 0.28 -2.23 0.00 0.00 178.31 177.07 1xn1 h VAL 35 N -0.72 1.17 0.11 1.41 2.07 -1.20 -2.10 116.25 116.98 1xn1 h VAL 35 Ca -0.03 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1xn1 h VAL 35 Cb 0.50 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1xn1 h VAL 35 CO 0.04 0.21 -0.05 0.00 0.02 0.00 0.00 177.57 177.79 1xn1 h ALA 36 N 1.35 -0.15 -0.26 1.67 0.00 -1.22 -2.77 119.26 117.88 1xn1 h ALA 36 Ca 0.34 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1xn1 h ALA 36 Cb -0.05 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1xn1 h ALA 36 CO -0.10 -0.56 0.14 0.93 0.00 0.00 0.00 179.25 179.66 1xn1 h GLU 37 N -0.19 0.29 -0.63 0.00 4.39 -1.02 0.81 114.58 118.23 1xn1 h GLU 37 Ca -0.02 -0.02 0.13 0.00 0.34 0.00 0.00 59.36 59.80 1xn1 h GLU 37 Cb 0.15 -0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 28.63 1xn1 h GLU 37 CO 0.03 0.19 -0.07 -0.07 -1.16 0.00 0.00 179.01 177.93 1xn1 h LEU 38 N 0.30 -0.42 -0.09 1.33 -0.00 -1.34 0.67 115.31 115.76 1xn1 h LEU 38 Ca 0.10 0.17 -0.00 0.00 -0.00 0.00 0.00 57.88 58.15 1xn1 h LEU 38 Cb 0.01 0.33 -0.00 0.00 -0.00 0.00 0.00 40.66 40.99 1xn1 h LEU 38 CO -0.06 -0.16 0.04 0.00 -0.00 0.00 0.00 178.44 178.26 1xn1 h ALA 39 N 1.60 0.11 -0.38 1.53 0.00 -1.12 2.49 119.26 123.50 1xn1 h ALA 39 Ca 0.32 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.22 1xn1 h ALA 39 Cb 0.51 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1xn1 h ALA 39 CO -0.59 -0.33 0.26 0.00 0.00 0.00 0.00 179.25 178.59 1xn1 h ALA 40 N 0.92 2.06 0.00 0.00 0.00 0.94 1.69 119.26 124.86 1xn1 h ALA 40 Ca 0.03 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.61 1xn1 h ALA 40 Cb 0.12 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1xn1 h ALA 40 CO -0.00 -0.14 -2.01 1.63 0.00 0.00 0.00 179.25 178.72 1xn1 n LYS 41 N -4.47 0.66 -0.00 0.00 4.76 0.22 -4.60 118.16 114.72 1xn1 n LYS 41 Ca 0.05 0.15 0.02 0.00 -2.87 0.00 0.00 58.31 55.66 1xn1 n LYS 41 Cb 0.29 -1.67 -0.03 0.00 -1.84 0.00 0.00 35.03 31.78 1xn1 n LYS 41 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1xn1 n THR 42 N -2.90 0.00 -2.36 -0.18 -2.24 0.83 -5.03 114.28 102.40 1xn1 n THR 42 Ca -0.24 -0.27 -0.12 0.00 -2.27 0.00 0.00 64.05 61.14 1xn1 n THR 42 Cb 1.09 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 70.07 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 1.60 -0.10 2.02 3.38 0.00 0.57 -2.19 105.19 110.46 1xn1 n GLY 43 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.06 0.97 0.12 -0.02 0.00 -1.26 -4.90 105.19 99.04 1xn1 n GLY 44 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.06 -3.38 1.61 0.87 -1.78 -3.37 113.55 107.44 1xn1 h SER 45 Ca 0.00 0.05 -0.59 0.00 -1.23 0.00 0.00 61.79 60.02 1xn1 h SER 45 Cb 0.00 0.08 -0.11 0.00 -0.44 0.00 0.00 62.40 61.94 1xn1 h SER 45 CO 0.00 0.00 -0.29 -0.69 -0.53 0.00 0.00 176.83 175.33 1xn1 s VAL 46 N -6.19 5.27 -0.16 2.23 1.01 -1.26 0.65 120.40 121.95 1xn1 s VAL 46 Ca -0.13 0.60 -0.04 0.00 0.00 0.00 0.00 61.98 62.41 1xn1 s VAL 46 Cb 0.11 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1xn1 s VAL 46 CO 0.69 0.34 -0.02 -1.61 0.00 0.00 0.00 175.10 174.50 1xn1 s GLU 47 N 0.80 3.71 -0.16 2.72 2.02 -0.79 -4.79 118.70 122.20 1xn1 s GLU 47 Ca 0.17 -0.48 -0.12 0.00 0.02 0.00 0.00 54.97 54.57 1xn1 s GLU 47 Cb -0.14 -2.97 -0.05 0.00 0.10 0.00 0.00 34.13 31.07 1xn1 s GLU 47 CO 0.06 0.27 0.22 0.08 0.02 0.00 0.00 175.26 175.90 1xn1 s VAL 48 N 0.30 5.36 -0.20 2.63 1.01 -1.26 -2.17 120.40 126.06 1xn1 s VAL 48 Ca -0.02 0.38 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 1xn1 s VAL 48 Cb -0.14 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1xn1 s VAL 48 CO 0.02 0.44 -0.04 -0.70 0.00 0.00 0.00 175.10 174.82 1xn1 s GLU 49 N 0.18 3.43 -0.17 2.72 2.12 0.24 -4.95 118.70 122.27 1xn1 s GLU 49 Ca 0.13 -0.61 -0.17 0.00 0.36 0.00 0.00 54.97 54.69 1xn1 s GLU 49 Cb -0.12 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.25 1xn1 s GLU 49 CO 0.02 -0.10 0.43 0.42 -0.54 0.00 0.00 175.26 175.49 1xn1 s ILE 50 N 1.23 5.19 -0.20 -3.70 1.01 -1.26 -0.49 121.20 122.99 1xn1 s ILE 50 Ca 0.03 0.81 0.01 0.00 0.00 0.00 0.00 60.65 61.50 1xn1 s ILE 50 Cb -0.14 -3.77 0.03 0.00 0.01 0.00 0.00 42.46 38.59 1xn1 s ILE 50 CO -0.01 0.28 -0.17 -0.36 0.00 0.00 0.00 174.94 174.67 1xn1 s PHE 51 N 1.04 2.89 0.29 3.97 0.40 -0.36 -4.95 117.98 121.26 1xn1 s PHE 51 Ca 0.22 -1.75 -0.16 0.00 -0.60 0.00 0.00 56.93 54.63 1xn1 s PHE 51 Cb -0.15 -1.93 -0.09 0.00 0.51 0.00 0.00 43.02 41.36 1xn1 s PHE 51 CO 0.08 -0.81 0.73 -0.51 0.70 0.00 0.00 175.22 175.42 1xn1 s ASP 52 N 1.26 6.86 -0.01 1.36 1.01 -1.26 -2.20 116.67 123.68 1xn1 s ASP 52 Ca 0.02 1.32 -0.08 0.00 0.71 0.00 0.00 52.55 54.53 1xn1 s ASP 52 Cb -0.14 -2.39 0.01 0.00 1.01 0.00 0.00 42.92 41.40 1xn1 s ASP 52 CO -0.11 -0.14 0.16 -0.69 0.21 0.00 0.00 175.17 174.60 1xn1 s VAL 53 N -1.85 0.06 0.00 -1.27 1.01 -0.87 -4.93 120.40 112.55 1xn1 s VAL 53 Ca 0.51 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1xn1 s VAL 53 Cb -0.12 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.85 1xn1 s VAL 53 CO 0.18 -0.29 0.84 -2.65 0.00 0.00 0.00 175.10 173.19 1xn1 n PRO 54 N 1.78 0.00 -4.60 2.72 -0.02 -1.26 0.34 135.00 133.96 1xn1 n PRO 54 Ca -0.20 0.62 -0.28 0.00 -2.02 0.00 0.00 63.50 61.62 1xn1 n PRO 54 Cb 0.56 -1.34 -0.08 0.00 -0.02 0.00 0.00 33.50 32.62 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 -0.68 2.76 0.50 -1.23 0.00 -1.26 -0.05 107.32 107.36 1xn1 s GLY 55 Ca 0.00 -0.94 0.17 0.00 0.00 0.00 0.00 44.72 43.94 1xn1 s GLY 55 CO 0.00 -1.96 2.08 0.00 0.00 0.00 0.00 173.10 173.23 1xn1 h ALA 56 N 1.63 2.07 -0.01 3.20 0.00 -1.92 -1.33 119.26 122.91 1xn1 h ALA 56 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xn1 h ALA 56 Cb 1.29 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xn1 h ALA 56 CO 0.62 -0.12 0.02 -0.92 0.00 0.00 0.00 179.25 178.85 1xn1 h TYR 57 N 0.12 0.00 -0.22 0.00 3.20 -1.95 -0.65 116.97 117.47 1xn1 h TYR 57 Ca 0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1xn1 h TYR 57 Cb 0.28 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.55 1xn1 h TYR 57 CO -0.00 0.00 0.00 0.39 -1.64 0.00 0.00 178.16 176.91 1xn1 n GLU 58 N -3.36 2.03 -0.03 1.82 4.71 -0.50 -4.33 120.64 120.98 1xn1 n GLU 58 Ca -0.03 -1.54 -0.13 0.00 -0.01 0.00 0.00 57.16 55.45 1xn1 n GLU 58 Cb 0.10 -1.44 -0.11 0.00 -1.01 0.00 0.00 31.44 28.98 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 3.15 1.49 -0.21 -3.67 2.04 -1.23 -2.99 117.51 116.09 1xn1 h ILE 59 Ca 0.00 -1.46 0.03 0.00 1.00 0.00 0.00 64.86 64.42 1xn1 h ILE 59 Cb 0.69 2.46 -0.04 0.00 -0.74 0.00 0.00 36.82 39.19 1xn1 h ILE 59 CO 0.00 0.38 -0.28 -0.65 0.00 0.00 0.00 178.15 177.60 1xn1 h PRO 60 N -0.58 -0.19 -0.69 2.37 0.11 -1.75 0.59 132.00 131.86 1xn1 h PRO 60 Ca -0.00 0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.18 1xn1 h PRO 60 Cb 0.64 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 31.73 1xn1 h PRO 60 CO 0.00 -0.12 0.40 1.25 -0.21 0.00 0.00 178.00 179.32 1xn1 h LEU 61 N -0.19 0.60 -1.15 2.35 5.85 -1.84 0.29 115.31 121.21 1xn1 h LEU 61 Ca 0.04 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1xn1 h LEU 61 Cb 0.29 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1xn1 h LEU 61 CO -0.30 0.39 0.28 -0.74 -0.34 0.00 0.00 178.44 177.73 1xn1 h HIS 62 N 0.74 0.87 -0.02 1.25 2.76 -1.27 0.11 115.15 119.59 1xn1 h HIS 62 Ca 0.31 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.44 1xn1 h HIS 62 Cb 0.17 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 28.86 1xn1 h HIS 62 CO -0.07 0.65 0.01 0.00 -1.30 0.00 0.00 177.93 177.22 1xn1 h ALA 63 N 1.44 0.02 0.07 5.26 0.00 0.18 -1.15 119.26 125.08 1xn1 h ALA 63 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xn1 h ALA 63 Cb 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xn1 h ALA 63 CO -0.03 -0.39 -0.13 -0.22 0.00 0.00 0.00 179.25 178.48 1xn1 h LYS 64 N -0.14 -0.21 -0.94 0.00 3.11 0.17 0.47 116.57 119.03 1xn1 h LYS 64 Ca 0.01 0.01 0.11 0.00 -2.81 0.00 0.00 60.65 57.97 1xn1 h LYS 64 Cb 0.18 0.05 -0.13 0.00 -1.00 0.00 0.00 32.23 31.32 1xn1 h LYS 64 CO -0.00 -0.14 -0.50 1.15 -2.81 0.00 0.00 179.45 177.15 1xn1 h THR 65 N -0.22 0.01 -0.04 1.00 2.02 -0.81 -0.51 112.91 114.36 1xn1 h THR 65 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1xn1 h THR 65 Cb 0.21 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1xn1 h THR 65 CO -0.05 0.00 0.02 -0.07 0.37 0.00 0.00 175.52 175.79 1xn1 h LEU 66 N -0.04 0.06 -0.34 2.58 3.38 -1.06 -3.08 115.31 116.80 1xn1 h LEU 66 Ca 0.23 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.17 1xn1 h LEU 66 Cb 0.50 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.15 1xn1 h LEU 66 CO -0.92 0.14 -0.39 0.00 0.09 0.00 0.00 178.44 177.36 1xn1 h ALA 67 N 0.92 -0.37 -0.03 1.53 0.00 0.13 -1.30 119.26 120.12 1xn1 h ALA 67 Ca 0.02 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1xn1 h ALA 67 Cb 0.10 0.80 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1xn1 h ALA 67 CO -0.00 -0.83 0.40 0.00 0.00 0.00 0.00 179.25 178.82 1xn1 h ARG 68 N -0.33 0.00 0.00 0.00 3.08 -1.06 0.17 114.38 116.24 1xn1 h ARG 68 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1xn1 h ARG 68 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1xn1 h ARG 68 CO -0.52 0.00 0.00 1.79 -1.07 0.00 0.00 179.97 180.17 1xn1 h THR 69 N 0.00 0.00 0.00 2.04 1.35 -1.20 -3.45 112.91 111.65 1xn1 h THR 69 Ca 0.01 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1xn1 h THR 69 Cb 0.81 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1xn1 h THR 69 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1xn1 n GLY 70 N 0.11 0.68 0.19 5.82 0.00 0.61 -4.85 105.19 107.74 1xn1 n GLY 70 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 2.02 0.00 -6.32 1.61 3.08 -1.79 -3.45 114.38 109.54 1xn1 h ARG 71 Ca 0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.37 1xn1 h ARG 71 Cb 0.01 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 29.87 1xn1 h ARG 71 CO 0.00 0.38 -0.73 0.71 -1.07 0.00 0.00 179.97 179.27 1xn1 s TYR 72 N -3.88 2.82 -1.91 3.04 1.51 -1.26 -4.41 117.35 113.26 1xn1 s TYR 72 Ca -0.02 -0.08 0.28 0.00 -1.01 0.00 0.00 57.07 56.24 1xn1 s TYR 72 Cb 0.13 -1.60 1.02 0.00 -0.11 0.00 0.00 41.96 41.40 1xn1 s TYR 72 CO 0.70 0.33 1.73 0.00 -1.11 0.00 0.00 175.55 177.20 1xn1 n ALA 73 N 1.72 2.85 -3.59 3.71 0.00 -0.43 -4.90 120.51 119.87 1xn1 n ALA 73 Ca -0.16 -0.36 -0.06 0.00 0.00 0.00 0.00 53.44 52.86 1xn1 n ALA 73 Cb 0.52 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 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 -2.35 -2.01 -0.03 0.00 0.00 -1.24 -4.51 121.76 111.62 1xn1 s ALA 74 Ca 0.30 1.60 0.01 0.00 0.00 0.00 0.00 51.96 53.87 1xn1 s ALA 74 Cb 0.20 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1xn1 s ALA 74 CO 0.46 -0.43 -0.04 0.42 0.00 0.00 0.00 175.76 176.16 1xn1 s ILE 75 N -1.75 0.48 -0.08 0.00 1.01 0.93 -2.16 121.20 119.63 1xn1 s ILE 75 Ca 0.05 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.58 1xn1 s ILE 75 Cb -0.01 -0.49 -0.03 0.00 0.01 0.00 0.00 42.46 41.95 1xn1 s ILE 75 CO -0.04 0.19 -0.08 -0.69 0.00 0.00 0.00 174.94 174.32 1xn1 s VAL 76 N 0.68 3.56 -0.16 2.92 1.01 0.10 0.69 120.40 129.20 1xn1 s VAL 76 Ca -0.09 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1xn1 s VAL 76 Cb -0.12 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.80 1xn1 s VAL 76 CO -0.00 0.58 -0.17 -0.83 0.00 0.00 0.00 175.10 174.68 1xn1 s GLY 77 N -0.52 1.45 -0.05 4.51 0.00 -0.35 -0.14 107.32 112.22 1xn1 s GLY 77 Ca 0.07 -1.11 0.03 0.00 0.00 0.00 0.00 44.72 43.72 1xn1 s GLY 77 CO 0.02 0.12 -0.14 0.00 0.00 0.00 0.00 173.10 173.10 1xn1 s ALA 78 N 0.99 1.30 -0.22 3.20 0.00 0.72 0.81 121.76 128.57 1xn1 s ALA 78 Ca -0.02 -0.53 -0.28 0.00 0.00 0.00 0.00 51.96 51.12 1xn1 s ALA 78 Cb -0.15 -0.48 0.14 0.00 0.00 0.00 0.00 23.12 22.63 1xn1 s ALA 78 CO -0.04 0.20 1.09 0.00 0.00 0.00 0.00 175.76 177.01 1xn1 s ALA 79 N 0.25 -1.99 -0.69 0.00 0.00 -0.99 -0.68 121.76 117.66 1xn1 s ALA 79 Ca -0.07 1.70 -0.14 0.00 0.00 0.00 0.00 51.96 53.45 1xn1 s ALA 79 Cb -0.12 -1.07 0.18 0.00 0.00 0.00 0.00 23.12 22.11 1xn1 s ALA 79 CO 0.02 -0.27 0.63 0.12 0.00 0.00 0.00 175.76 176.27 1xn1 s PHE 80 N -0.69 3.54 -0.47 0.00 5.99 -1.26 -2.06 117.98 123.03 1xn1 s PHE 80 Ca 0.01 -1.76 -0.19 0.00 0.00 0.00 0.00 56.93 55.00 1xn1 s PHE 80 Cb -0.02 -3.76 0.05 0.00 0.00 0.00 0.00 43.02 39.28 1xn1 s PHE 80 CO -0.03 -0.99 0.56 0.08 -0.00 0.00 0.00 175.22 174.84 1xn1 s VAL 81 N 0.75 4.96 0.36 3.12 1.01 -0.46 -4.88 120.40 125.26 1xn1 s VAL 81 Ca 0.12 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 61.74 1xn1 s VAL 81 Cb -0.19 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 31.93 1xn1 s VAL 81 CO -0.04 -0.66 0.02 0.27 0.00 0.00 0.00 175.10 174.69 1xn1 s ILE 82 N 2.44 2.45 -0.79 2.22 -4.36 -1.26 -3.88 121.20 118.02 1xn1 s ILE 82 Ca 0.14 -1.97 -0.25 0.00 -0.26 0.00 0.00 60.65 58.31 1xn1 s ILE 82 Cb -0.19 -2.83 -0.02 0.00 1.25 0.00 0.00 42.46 40.68 1xn1 s ILE 82 CO 0.13 -0.15 1.77 -0.62 0.24 0.00 0.00 174.94 176.31 1xn1 s ASP 83 N -3.73 5.49 -0.27 4.36 -1.08 -1.26 -4.62 116.67 115.55 1xn1 s ASP 83 Ca 0.35 -0.36 -0.03 0.00 -0.52 0.00 0.00 52.55 51.99 1xn1 s ASP 83 Cb 0.02 -2.55 -0.09 0.00 -1.46 0.00 0.00 42.92 38.84 1xn1 s ASP 83 CO 0.19 -2.34 1.87 0.61 0.52 0.00 0.00 175.17 176.02 1xn1 n GLY 84 N 6.23 2.23 4.19 2.66 0.00 -1.25 -4.80 105.19 114.45 1xn1 n GLY 84 Ca 0.27 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 3.18 0.00 0.05 -0.02 0.00 -1.26 -3.56 105.19 103.57 1xn1 n GLY 85 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.24 1xn1 n GLY 85 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xn1 h ILE 86 N 0.00 0.00 -1.89 -0.61 5.03 -2.00 -3.49 117.51 114.54 1xn1 h ILE 86 Ca 0.00 -0.70 -0.50 0.00 -0.12 0.00 0.00 64.86 63.54 1xn1 h ILE 86 Cb 0.00 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 33.75 1xn1 h ILE 86 CO 0.00 0.00 -0.47 -0.31 -0.68 0.00 0.00 178.15 176.69 1xn1 s TYR 87 N -1.83 2.90 0.40 1.37 1.51 -1.23 -5.09 117.35 115.38 1xn1 s TYR 87 Ca -0.09 -0.29 -0.25 0.00 -1.01 0.00 0.00 57.07 55.43 1xn1 s TYR 87 Cb 0.01 -1.73 -0.08 0.00 -0.11 0.00 0.00 41.96 40.05 1xn1 s TYR 87 CO 0.14 0.24 1.14 1.03 -1.11 0.00 0.00 175.55 176.99 1xn1 s ARG 88 N -3.96 4.09 -0.13 -0.62 0.52 -1.26 -3.94 118.95 113.65 1xn1 s ARG 88 Ca 0.40 1.75 0.18 0.00 -0.52 0.00 0.00 55.73 57.53 1xn1 s ARG 88 Cb -0.06 -2.65 -0.26 0.00 0.52 0.00 0.00 34.95 32.51 1xn1 s ARG 88 CO 0.26 -0.27 0.19 -2.39 0.02 0.00 0.00 175.30 173.11 1xn1 n HIS 89 N 0.05 0.00 -0.01 -0.53 1.44 -1.26 -4.71 115.22 110.19 1xn1 n HIS 89 Ca 0.04 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.75 1xn1 n HIS 89 Cb 0.47 -0.77 -0.01 0.00 0.12 0.00 0.00 29.99 29.81 1xn1 n HIS 89 CO 0.00 0.00 0.00 0.38 -2.81 0.00 0.00 176.34 173.91 1xn1 h ASP 90 N 0.00 -0.13 -0.59 4.39 -0.00 -1.92 -0.74 116.42 117.42 1xn1 h ASP 90 Ca -0.34 0.02 0.10 0.00 -0.00 0.00 0.00 57.03 56.81 1xn1 h ASP 90 Cb 1.74 0.05 -0.10 0.00 -0.00 0.00 0.00 39.33 41.02 1xn1 h ASP 90 CO 0.02 -0.02 -0.22 0.49 -0.00 0.00 0.00 179.24 179.51 1xn1 n PHE 91 N -2.95 0.05 0.29 4.15 3.01 -1.26 0.85 117.46 121.61 1xn1 n PHE 91 Ca -0.00 0.73 -0.14 0.00 1.01 0.00 0.00 57.45 59.04 1xn1 n PHE 91 Cb 0.02 -0.74 -0.07 0.00 -0.01 0.00 0.00 39.48 38.68 1xn1 n PHE 91 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1xn1 h VAL 92 N 0.00 0.24 -0.44 -4.37 2.07 -1.76 -1.28 116.25 110.71 1xn1 h VAL 92 Ca 0.22 -0.38 0.09 0.00 0.82 0.00 0.00 66.70 67.44 1xn1 h VAL 92 Cb 0.37 0.34 -0.10 0.00 -1.52 0.00 0.00 31.29 30.38 1xn1 h VAL 92 CO -0.59 0.04 -0.31 0.00 0.02 0.00 0.00 177.57 176.73 1xn1 h ALA 93 N -0.88 -0.11 -0.18 1.67 0.00 0.11 0.28 119.26 120.16 1xn1 h ALA 93 Ca -0.08 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1xn1 h ALA 93 Cb 0.65 0.69 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 1xn1 h ALA 93 CO 0.13 -0.69 -0.08 1.15 0.00 0.00 0.00 179.25 179.76 1xn1 h THR 94 N -0.22 0.73 -0.25 0.00 2.02 0.42 0.47 112.91 116.08 1xn1 h THR 94 Ca 0.19 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.44 1xn1 h THR 94 Cb 0.53 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1xn1 h THR 94 CO -0.56 0.00 0.21 0.00 0.37 0.00 0.00 175.52 175.54 1xn1 h ALA 95 N 1.11 2.07 0.00 6.16 0.00 0.18 0.21 119.26 128.99 1xn1 h ALA 95 Ca 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xn1 h ALA 95 Cb 0.21 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1xn1 h ALA 95 CO -0.22 -0.34 -0.16 0.28 0.00 0.00 0.00 179.25 178.81 1xn1 h VAL 96 N 0.00 0.27 -0.87 0.00 2.07 0.20 -0.86 116.25 117.07 1xn1 h VAL 96 Ca 0.12 -1.22 0.06 0.00 0.82 0.00 0.00 66.70 66.48 1xn1 h VAL 96 Cb 0.54 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 1xn1 h VAL 96 CO -0.00 0.09 0.54 0.40 0.02 0.00 0.00 177.57 178.62 1xn1 h ILE 97 N -1.00 1.04 -0.02 4.57 5.03 -0.03 0.38 117.51 127.48 1xn1 h ILE 97 Ca -0.02 -0.33 -0.00 0.00 -0.12 0.00 0.00 64.86 64.39 1xn1 h ILE 97 Cb 0.29 -0.02 -0.00 0.00 -3.03 0.00 0.00 36.82 34.05 1xn1 h ILE 97 CO -0.01 0.18 0.00 0.78 -0.68 0.00 0.00 178.15 178.42 1xn1 h ASN 98 N 0.97 0.04 -0.69 1.72 -0.26 -0.73 -2.53 115.58 114.11 1xn1 h ASN 98 Ca 0.38 -0.29 0.14 0.00 -0.56 0.00 0.00 56.30 55.97 1xn1 h ASN 98 Cb 0.18 -0.01 -0.10 0.00 -1.06 0.00 0.00 38.32 37.33 1xn1 h ASN 98 CO -0.18 0.32 0.16 1.23 -1.06 0.00 0.00 177.43 177.90 1xn1 h GLY 99 N -0.25 0.92 0.91 2.83 0.00 -0.23 0.41 103.07 107.67 1xn1 h GLY 99 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1xn1 h GLY 99 CO 0.00 -0.16 0.12 -0.33 0.00 0.00 0.00 176.54 176.16 1xn1 h MET 100 N 0.27 0.45 -0.93 4.80 2.86 -0.95 0.26 114.93 121.69 1xn1 h MET 100 Ca 0.38 -0.08 0.15 0.00 -2.06 0.00 0.00 59.70 58.08 1xn1 h MET 100 Cb 0.61 -0.07 -0.09 0.00 0.06 0.00 0.00 31.60 32.10 1xn1 h MET 100 CO -0.47 0.47 0.53 1.98 1.06 0.00 0.00 176.91 180.48 1xn1 h MET 101 N 0.33 0.73 0.02 1.72 -1.53 -0.49 0.18 114.93 115.90 1xn1 h MET 101 Ca 0.10 -0.04 -0.00 0.00 -3.44 0.00 0.00 59.70 56.31 1xn1 h MET 101 Cb 0.19 -0.17 0.00 0.00 -0.55 0.00 0.00 31.60 31.08 1xn1 h MET 101 CO -0.01 0.48 -0.01 0.37 0.14 0.00 0.00 176.91 177.89 1xn1 h GLN 102 N 0.75 -0.03 -0.92 0.39 4.15 0.66 -2.61 115.11 117.51 1xn1 h GLN 102 Ca 0.50 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.94 1xn1 h GLN 102 Cb 0.67 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.32 1xn1 h GLN 102 CO -0.34 0.21 0.61 0.28 -1.93 0.00 0.00 178.83 177.66 1xn1 h VAL 103 N -0.27 1.20 -0.02 2.39 2.07 0.83 -1.14 116.25 121.32 1xn1 h VAL 103 Ca -0.00 -0.41 -0.20 0.00 0.82 0.00 0.00 66.70 66.90 1xn1 h VAL 103 Cb 0.25 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1xn1 h VAL 103 CO 0.00 0.22 -0.85 0.06 0.02 0.00 0.00 177.57 177.02 1xn1 h GLN 104 N 1.20 0.30 0.00 1.57 3.07 -0.67 -2.19 115.11 118.40 1xn1 h GLN 104 Ca 0.35 -0.30 -0.06 0.00 0.09 0.00 0.00 58.65 58.73 1xn1 h GLN 104 Cb -0.07 0.08 -0.01 0.00 0.08 0.00 0.00 27.48 27.56 1xn1 h GLN 104 CO -0.09 0.99 -0.28 -0.07 0.09 0.00 0.00 178.83 179.47 1xn1 h LEU 105 N 0.18 0.00 0.00 0.06 3.38 -1.18 0.60 115.31 118.35 1xn1 h LEU 105 Ca -0.05 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.72 1xn1 h LEU 105 Cb 1.46 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.18 1xn1 h LEU 105 CO 0.14 0.28 -1.13 -0.08 0.09 0.00 0.00 178.44 177.74 1xn1 h GLU 106 N 0.00 0.00 -0.00 1.13 4.81 -1.07 -3.37 114.58 116.09 1xn1 h GLU 106 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xn1 h GLU 106 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1xn1 h GLU 106 CO 0.04 0.66 -0.09 0.25 -0.73 0.00 0.00 179.01 179.13 1xn1 n THR 107 N -3.18 0.00 -3.77 0.32 -2.24 -0.84 -5.00 114.28 99.58 1xn1 n THR 107 Ca -0.05 -0.45 -0.27 0.00 -2.27 0.00 0.00 64.05 61.00 1xn1 n THR 107 Cb 0.91 1.02 0.05 0.00 -2.10 0.00 0.00 70.33 70.21 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 -0.65 -6.68 -3.95 -0.78 1.02 0.21 -4.97 120.64 104.85 1xn1 n GLU 108 Ca 0.01 0.71 -0.30 0.00 -0.02 0.00 0.00 57.16 57.55 1xn1 n GLU 108 Cb 0.06 -5.68 -0.16 0.00 -0.02 0.00 0.00 31.44 25.65 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 -3.31 1.55 0.08 2.62 1.01 -1.14 -5.05 120.40 116.16 1xn1 s VAL 109 Ca 0.63 -1.16 -0.37 0.00 0.00 0.00 0.00 61.98 61.08 1xn1 s VAL 109 Cb -0.30 -1.77 -0.17 0.00 0.00 0.00 0.00 36.38 34.14 1xn1 s VAL 109 CO 0.78 -0.03 1.22 -2.65 0.00 0.00 0.00 175.10 174.42 1xn1 n PRO 110 N 4.68 0.84 -3.99 2.72 -0.02 -1.26 -4.44 135.00 133.52 1xn1 n PRO 110 Ca -0.13 0.30 -0.32 0.00 -2.02 0.00 0.00 63.50 61.34 1xn1 n PRO 110 Cb 0.45 -1.87 -0.15 0.00 -0.02 0.00 0.00 33.50 31.92 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 0.20 2.42 0.31 -1.45 1.01 -1.25 -0.05 120.40 121.59 1xn1 s VAL 111 Ca 0.83 -2.19 -0.24 0.00 0.00 0.00 0.00 61.98 60.39 1xn1 s VAL 111 Cb -1.01 -2.71 -0.10 0.00 0.00 0.00 0.00 36.38 32.56 1xn1 s VAL 111 CO 0.50 -0.52 0.89 -0.76 0.00 0.00 0.00 175.10 175.21 1xn1 s LEU 112 N 0.97 4.28 -0.20 3.92 1.02 0.22 -4.89 118.68 123.99 1xn1 s LEU 112 Ca 0.08 1.70 -0.05 0.00 0.02 0.00 0.00 54.13 55.87 1xn1 s LEU 112 Cb -0.20 -3.99 -0.03 0.00 0.02 0.00 0.00 46.19 42.00 1xn1 s LEU 112 CO -0.07 -0.09 0.01 -0.55 0.02 0.00 0.00 176.35 175.68 1xn1 s SER 113 N -1.72 4.94 -0.21 2.29 0.15 -1.26 -1.21 113.70 116.68 1xn1 s SER 113 Ca 0.50 -0.17 0.14 0.00 0.70 0.00 0.00 55.95 57.12 1xn1 s SER 113 Cb -0.17 -1.85 0.45 0.00 -1.71 0.00 0.00 66.02 62.75 1xn1 s SER 113 CO 0.22 0.07 1.18 0.52 1.20 0.00 0.00 173.24 176.42 1xn1 n VAL 114 N 4.23 1.82 -3.11 4.45 0.31 0.24 -4.88 118.33 121.39 1xn1 n VAL 114 Ca -0.17 -3.19 -0.44 0.00 -0.01 0.00 0.00 64.34 60.53 1xn1 n VAL 114 Cb 0.52 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 1xn1 n VAL 114 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1xn1 n VAL 115 N -0.64 4.78 -2.97 2.52 0.31 -1.11 -2.36 118.33 118.86 1xn1 n VAL 115 Ca 0.24 -5.42 -0.35 0.00 -0.01 0.00 0.00 64.34 58.80 1xn1 n VAL 115 Cb 0.88 -2.39 -0.06 0.00 -0.91 0.00 0.00 33.84 31.35 1xn1 n VAL 115 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1xn1 s LEU 116 N -1.38 4.19 -0.25 7.52 1.02 -0.87 -4.84 118.68 124.07 1xn1 s LEU 116 Ca 0.33 1.55 -0.01 0.00 0.02 0.00 0.00 54.13 56.02 1xn1 s LEU 116 Cb -0.03 -4.00 0.07 0.00 0.02 0.00 0.00 46.19 42.25 1xn1 s LEU 116 CO -0.00 -0.13 0.03 -0.89 0.02 0.00 0.00 176.35 175.38 1xn1 s THR 117 N -1.79 1.02 0.51 5.49 2.01 -1.25 -1.35 115.64 120.28 1xn1 s THR 117 Ca 0.51 -1.10 -0.20 0.00 0.31 0.00 0.00 61.69 61.22 1xn1 s THR 117 Cb -0.14 -1.54 -0.07 0.00 0.01 0.00 0.00 72.50 70.76 1xn1 s THR 117 CO 0.19 -0.33 1.07 -2.16 -0.69 0.00 0.00 174.62 172.70 1xn1 s PRO 118 N 1.60 3.62 0.21 4.92 0.04 -1.26 -4.94 135.00 139.19 1xn1 s PRO 118 Ca 0.01 1.45 -0.09 0.00 0.04 0.00 0.00 61.00 62.41 1xn1 s PRO 118 Cb -0.18 -2.06 0.15 0.00 0.04 0.00 0.00 34.50 32.46 1xn1 s PRO 118 CO -0.13 -0.60 1.81 0.45 0.04 0.00 0.00 177.00 178.58 1xn1 h HIS 119 N 1.38 1.09 -3.89 0.56 3.86 -2.00 -3.43 115.15 112.73 1xn1 h HIS 119 Ca -0.50 -0.04 -0.29 0.00 -1.16 0.00 0.00 60.37 58.39 1xn1 h HIS 119 Cb 1.24 -0.34 -0.27 0.00 1.06 0.00 0.00 27.41 29.10 1xn1 h HIS 119 CO 0.55 0.79 -0.74 -1.01 0.86 0.00 0.00 177.93 178.37 1xn1 s HIS 120 N -5.76 0.39 -0.30 2.45 3.76 -1.26 -4.93 115.29 109.65 1xn1 s HIS 120 Ca -0.13 -0.17 -0.08 0.00 -0.15 0.00 0.00 55.06 54.53 1xn1 s HIS 120 Cb 0.15 -0.25 0.18 0.00 1.11 0.00 0.00 32.58 33.78 1xn1 s HIS 120 CO 0.81 -0.03 0.89 0.12 -0.85 0.00 0.00 174.74 175.68 1xn1 s PHE 121 N -0.41 -0.93 -0.30 1.40 5.36 -1.26 -5.08 117.98 116.76 1xn1 s PHE 121 Ca -0.02 0.89 -0.02 0.00 -0.96 0.00 0.00 56.93 56.82 1xn1 s PHE 121 Cb -0.04 0.29 0.05 0.00 -0.34 0.00 0.00 43.02 42.98 1xn1 s PHE 121 CO -0.00 -0.52 -0.01 -1.01 -1.46 0.00 0.00 175.22 172.23 1xn1 s HIS 121 N 2.92 3.25 -0.39 10.12 3.76 -1.26 -4.84 115.29 128.84 1xn1 s HIS 121 Ca 0.09 -1.86 -0.04 0.00 -0.15 0.00 0.00 55.06 53.11 1xn1 s HIS 121 Cb -0.11 -2.10 -0.13 0.00 1.11 0.00 0.00 32.58 31.35 1xn1 s HIS 121 CO -0.16 -0.80 1.28 0.39 -0.85 0.00 0.00 174.74 174.60 1xn1 n GLU 121 N 4.62 0.00 -4.15 1.40 -0.58 -1.26 -4.72 120.64 115.96 1xn1 n GLU 121 Ca -0.13 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.51 1xn1 n GLU 121 Cb 0.44 -0.83 -0.10 0.00 -0.57 0.00 0.00 31.44 30.38 1xn1 n GLU 121 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1xn1 s SER 121 N 0.00 0.81 0.10 1.62 1.04 -1.26 -5.03 113.70 110.97 1xn1 s SER 121 Ca 0.52 -1.05 -0.35 0.00 0.48 0.00 0.00 55.95 55.55 1xn1 s SER 121 Cb -0.34 0.16 -0.15 0.00 0.10 0.00 0.00 66.02 65.79 1xn1 s SER 121 CO 0.22 -0.56 1.57 0.50 0.98 0.00 0.00 173.24 175.95 1xn1 h LYS 122 N 2.99 -0.84 -0.13 4.02 1.63 -2.00 -0.91 116.57 121.33 1xn1 h LYS 122 Ca -0.35 0.06 0.03 0.00 -0.85 0.00 0.00 60.65 59.54 1xn1 h LYS 122 Cb 1.16 0.19 -0.06 0.00 -0.60 0.00 0.00 32.23 32.93 1xn1 h LYS 122 CO 0.64 -0.56 -0.47 0.93 -3.45 0.00 0.00 179.45 176.54 1xn1 h GLU 123 N -0.88 -0.47 -0.06 1.90 3.07 -1.98 -1.79 114.58 114.38 1xn1 h GLU 123 Ca -0.03 0.03 0.04 0.00 -0.50 0.00 0.00 59.36 58.90 1xn1 h GLU 123 Cb 0.81 0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.77 1xn1 h GLU 123 CO -0.16 -0.31 -0.30 0.45 -1.40 0.00 0.00 179.01 177.29 1xn1 h HIS 124 N -0.49 -0.82 -0.33 4.33 3.86 -1.83 -2.21 115.15 117.66 1xn1 h HIS 124 Ca 0.03 0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.34 1xn1 h HIS 124 Cb 0.58 0.37 -0.08 0.00 1.06 0.00 0.00 27.41 29.33 1xn1 h HIS 124 CO -0.58 -0.39 -0.39 1.25 0.86 0.00 0.00 177.93 178.69 1xn1 h HIS 125 N -0.42 -1.10 0.00 2.45 6.17 -0.93 0.10 115.15 121.43 1xn1 h HIS 125 Ca 0.08 0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.22 1xn1 h HIS 125 Cb 0.53 0.53 0.00 0.00 2.52 0.00 0.00 27.41 30.99 1xn1 h HIS 125 CO -0.35 -0.43 0.00 -0.44 0.71 0.00 0.00 177.93 177.42 1xn1 h ASP 126 N -0.34 0.00 0.01 3.26 3.32 -1.04 0.82 116.42 122.44 1xn1 h ASP 126 Ca 0.13 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1xn1 h ASP 126 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1xn1 h ASP 126 CO -0.51 0.00 -0.00 0.15 -1.72 0.00 0.00 179.24 177.15 1xn1 h PHE 127 N 0.00 -0.01 0.00 4.55 3.57 -0.19 -2.97 116.94 121.89 1xn1 h PHE 127 Ca 0.00 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1xn1 h PHE 127 Cb 0.09 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1xn1 h PHE 127 CO 0.00 0.80 -0.46 0.74 -2.23 0.00 0.00 178.31 177.16 1xn1 h PHE 128 N -0.96 0.00 -0.55 0.41 -1.00 -1.14 0.68 116.94 114.39 1xn1 h PHE 128 Ca -0.00 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.73 1xn1 h PHE 128 Cb 0.82 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.35 1xn1 h PHE 128 CO 0.22 0.46 0.15 1.25 -1.61 0.00 0.00 178.31 178.79 1xn1 h HIS 129 N 0.00 0.86 0.10 -0.55 2.76 -0.96 0.14 115.15 117.50 1xn1 h HIS 129 Ca -0.00 -0.07 -0.27 0.00 -2.20 0.00 0.00 60.37 57.83 1xn1 h HIS 129 Cb 1.00 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.70 1xn1 h HIS 129 CO 0.00 0.71 -1.25 0.00 -1.30 0.00 0.00 177.93 176.09 1xn1 h ALA 130 N 1.36 0.17 -0.04 5.26 0.00 -1.18 -3.36 119.26 121.47 1xn1 h ALA 130 Ca 0.18 -0.93 -0.19 0.00 0.00 0.00 0.00 54.91 53.97 1xn1 h ALA 130 Cb 0.27 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1xn1 h ALA 130 CO -0.01 1.05 -0.71 1.25 0.00 0.00 0.00 179.25 180.84 1xn1 h HIS 131 N 0.06 0.79 -0.67 0.00 6.17 0.87 -3.15 115.15 119.23 1xn1 h HIS 131 Ca -0.13 -0.40 0.19 0.00 0.71 0.00 0.00 60.37 60.74 1xn1 h HIS 131 Cb 1.94 -0.10 -0.03 0.00 2.52 0.00 0.00 27.41 31.75 1xn1 h HIS 131 CO 0.05 1.22 0.49 0.74 0.71 0.00 0.00 177.93 181.14 1xn1 h PHE 132 N 0.13 0.00 -0.24 5.26 -1.00 -0.90 0.73 116.94 120.93 1xn1 h PHE 132 Ca -0.08 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.74 1xn1 h PHE 132 Cb 1.39 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.91 1xn1 h PHE 132 CO 0.12 0.00 0.03 -0.22 -1.61 0.00 0.00 178.31 176.63 1xn1 h LYS 133 N 0.00 0.11 0.23 1.51 3.64 -1.69 0.47 116.57 120.85 1xn1 h LYS 133 Ca 0.32 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 1xn1 h LYS 133 Cb 1.29 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1xn1 h LYS 133 CO -0.00 0.07 -0.15 0.28 -2.27 0.00 0.00 179.45 177.38 1xn1 h VAL 134 N 0.11 0.69 -0.09 2.00 2.07 0.31 -1.90 116.25 119.44 1xn1 h VAL 134 Ca 0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.66 1xn1 h VAL 134 Cb 0.12 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1xn1 h VAL 134 CO -0.16 0.00 0.07 0.11 0.02 0.00 0.00 177.57 177.61 1xn1 h LYS 135 N -0.37 0.00 -0.21 1.57 1.79 -0.53 -1.18 116.57 117.65 1xn1 h LYS 135 Ca -0.02 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.25 1xn1 h LYS 135 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1xn1 h LYS 135 CO 0.02 0.00 -0.66 0.78 -1.08 0.00 0.00 179.45 178.52 1xn1 h GLY 136 N 0.00 0.85 1.54 3.86 0.00 0.51 -1.70 103.07 108.13 1xn1 h GLY 136 Ca 0.04 -1.09 -0.09 0.00 0.00 0.00 0.00 47.33 46.20 1xn1 h GLY 136 CO -0.00 0.97 -0.21 -2.08 0.00 0.00 0.00 176.54 175.22 1xn1 h VAL 137 N 0.56 1.26 -0.17 4.60 2.07 -0.49 -1.14 116.25 122.94 1xn1 h VAL 137 Ca -0.02 -1.22 -0.11 0.00 0.82 0.00 0.00 66.70 66.17 1xn1 h VAL 137 Cb 1.26 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1xn1 h VAL 137 CO 0.14 0.39 -0.33 -0.33 0.02 0.00 0.00 177.57 177.46 1xn1 h GLU 138 N 0.48 0.53 -0.87 1.57 5.08 -1.22 -2.17 114.58 117.98 1xn1 h GLU 138 Ca 0.08 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1xn1 h GLU 138 Cb 0.63 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 1xn1 h GLU 138 CO 0.05 0.95 0.56 0.00 -1.00 0.00 0.00 179.01 179.56 1xn1 h ALA 139 N 0.58 1.11 -0.01 3.43 0.00 -1.21 0.54 119.26 123.70 1xn1 h ALA 139 Ca 0.01 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1xn1 h ALA 139 Cb 0.93 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1xn1 h ALA 139 CO 0.07 0.53 -0.24 0.00 0.00 0.00 0.00 179.25 179.61 1xn1 h ALA 140 N 1.31 -0.31 -0.01 0.00 0.00 -1.11 0.31 119.26 119.45 1xn1 h ALA 140 Ca 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1xn1 h ALA 140 Cb -0.11 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1xn1 h ALA 140 CO -0.07 -0.74 0.00 0.45 0.00 0.00 0.00 179.25 178.90 1xn1 h HIS 141 N -0.37 0.01 -0.29 0.00 -0.00 -0.67 -2.10 115.15 111.73 1xn1 h HIS 141 Ca 0.06 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.50 1xn1 h HIS 141 Cb 0.46 -0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 27.79 1xn1 h HIS 141 CO -0.28 0.10 -0.31 0.00 -0.00 0.00 0.00 177.93 177.44 1xn1 h ALA 142 N 0.90 -0.23 0.00 2.45 0.00 0.43 -0.27 119.26 122.54 1xn1 h ALA 142 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1xn1 h ALA 142 Cb 0.10 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1xn1 h ALA 142 CO -0.00 -0.74 -0.29 0.00 0.00 0.00 0.00 179.25 178.23 1xn1 h ALA 143 N 0.66 -0.74 -1.00 0.00 0.00 -0.21 0.15 119.26 118.11 1xn1 h ALA 143 Ca 0.14 -0.05 0.37 0.00 0.00 0.00 0.00 54.91 55.37 1xn1 h ALA 143 Cb 0.53 0.74 -0.16 0.00 0.00 0.00 0.00 17.79 18.90 1xn1 h ALA 143 CO -0.45 -0.83 0.55 -0.07 0.00 0.00 0.00 179.25 178.45 1xn1 h LEU 144 N -0.36 0.42 0.37 0.00 3.38 -0.97 0.59 115.31 118.73 1xn1 h LEU 144 Ca 0.01 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1xn1 h LEU 144 Cb 0.39 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1xn1 h LEU 144 CO -0.19 -0.27 -0.18 -0.61 0.09 0.00 0.00 178.44 177.28 1xn1 h GLN 145 N 0.18 -0.48 -0.80 1.13 4.15 0.61 -2.24 115.11 117.65 1xn1 h GLN 145 Ca 0.78 0.03 0.12 0.00 0.77 0.00 0.00 58.65 60.36 1xn1 h GLN 145 Cb 1.93 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 29.67 1xn1 h GLN 145 CO -0.68 -0.32 0.52 0.97 -1.93 0.00 0.00 178.83 177.39 1xn1 h ILE 146 N -0.94 0.88 -0.40 2.39 6.09 -0.14 0.56 117.51 125.94 1xn1 h ILE 146 Ca -0.05 -0.22 -0.03 0.00 -1.37 0.00 0.00 64.86 63.19 1xn1 h ILE 146 Cb 0.38 0.19 -0.02 0.00 0.47 0.00 0.00 36.82 37.84 1xn1 h ILE 146 CO 0.08 0.12 0.12 0.58 -3.07 0.00 0.00 178.15 175.98 1xn1 h VAL 147 N 0.64 1.22 0.49 2.19 2.07 -0.98 -0.82 116.25 121.06 1xn1 h VAL 147 Ca 0.38 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1xn1 h VAL 147 Cb 0.61 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1xn1 h VAL 147 CO -0.15 0.25 -0.24 -1.28 0.02 0.00 0.00 177.57 176.18 1xn1 h SER 148 N 0.51 -0.56 -0.91 0.57 0.87 -0.24 -2.71 113.55 111.07 1xn1 h SER 148 Ca 0.13 0.02 0.27 0.00 -1.23 0.00 0.00 61.79 60.98 1xn1 h SER 148 Cb 0.26 0.15 -0.17 0.00 -0.44 0.00 0.00 62.40 62.20 1xn1 h SER 148 CO -0.00 -0.36 0.07 1.21 -0.53 0.00 0.00 176.83 177.22 1xn1 n GLU 149 N -4.03 -0.07 -0.23 2.24 4.07 0.17 -0.39 120.64 122.39 1xn1 n GLU 149 Ca -0.08 1.36 -0.08 0.00 -0.06 0.00 0.00 57.16 58.29 1xn1 n GLU 149 Cb 0.26 -2.19 0.03 0.00 -0.06 0.00 0.00 31.44 29.49 1xn1 n GLU 149 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xn1 h ARG 150 N 0.00 1.07 -0.61 5.31 3.08 -1.07 -2.64 114.38 119.51 1xn1 h ARG 150 Ca 0.58 -0.29 -0.07 0.00 0.07 0.00 0.00 59.98 60.27 1xn1 h ARG 150 Cb 1.25 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 1xn1 h ARG 150 CO -0.84 0.98 0.09 0.66 -1.07 0.00 0.00 179.97 179.79 1xn1 h SER 151 N 0.98 0.95 0.16 7.04 4.64 -0.39 -1.23 113.55 125.71 1xn1 h SER 151 Ca 0.20 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1xn1 h SER 151 Cb 0.44 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1xn1 h SER 151 CO 0.01 0.96 0.00 -0.09 -0.87 0.00 0.00 176.83 176.84 1xn1 h ARG 152 N 0.94 0.00 0.05 4.77 2.43 -0.95 -3.24 114.38 118.37 1xn1 h ARG 152 Ca 0.19 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1xn1 h ARG 152 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1xn1 h ARG 152 CO 0.01 0.00 -0.02 0.82 -1.51 0.00 0.00 179.97 179.27 1xn1 h ILE 153 N 0.00 0.00 0.00 1.20 2.04 -0.89 -3.51 117.51 116.35 1xn1 h ILE 153 Ca 0.00 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1xn1 h ILE 153 Cb 0.08 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.16 1xn1 h ILE 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15