#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn1 s SER 12 N 0.00 4.51 0.05 8.00 0.15 -1.26 -5.15 113.70 120.00 1xn1 s SER 12 Ca 0.00 -0.59 0.04 0.00 0.70 0.00 0.00 55.95 56.10 1xn1 s SER 12 Cb 0.00 -0.84 -0.02 0.00 -1.71 0.00 0.00 66.02 63.44 1xn1 s SER 12 CO 0.00 0.04 -0.12 0.72 1.20 0.00 0.00 173.24 175.08 1xn1 s PHE 13 N -2.10 1.02 0.21 3.44 -0.12 -1.25 -5.09 117.98 114.09 1xn1 s PHE 13 Ca 0.29 -0.41 0.11 0.00 -0.05 0.00 0.00 56.93 56.87 1xn1 s PHE 13 Cb -0.07 -0.59 -0.05 0.00 -0.63 0.00 0.00 43.02 41.68 1xn1 s PHE 13 CO 0.19 0.01 -0.21 0.15 -0.05 0.00 0.00 175.22 175.30 1xn1 s LYS 14 N -1.40 1.62 -0.06 1.99 1.02 -1.26 -1.61 119.74 120.04 1xn1 s LYS 14 Ca -0.03 -1.54 0.04 0.00 0.02 0.00 0.00 55.97 54.46 1xn1 s LYS 14 Cb -0.09 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 1xn1 s LYS 14 CO 0.01 0.39 -0.18 0.42 -0.92 0.00 0.00 175.35 175.07 1xn1 s ILE 15 N -1.85 1.57 -0.37 2.17 1.01 0.11 -1.76 121.20 122.08 1xn1 s ILE 15 Ca 0.23 -0.77 -0.20 0.00 0.00 0.00 0.00 60.65 59.92 1xn1 s ILE 15 Cb -0.07 -1.36 0.01 0.00 0.01 0.00 0.00 42.46 41.04 1xn1 s ILE 15 CO 0.12 0.45 0.59 0.00 0.00 0.00 0.00 174.94 176.09 1xn1 s ALA 16 N 0.23 3.44 -0.49 9.38 0.00 -0.38 -0.86 121.76 133.08 1xn1 s ALA 16 Ca -0.10 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 50.76 1xn1 s ALA 16 Cb -0.14 -3.14 0.12 0.00 0.00 0.00 0.00 23.12 19.96 1xn1 s ALA 16 CO 0.04 -1.40 0.37 0.12 0.00 0.00 0.00 175.76 174.89 1xn1 s PHE 17 N 2.60 3.43 -0.60 0.00 5.36 -0.06 0.91 117.98 129.62 1xn1 s PHE 17 Ca 0.22 -1.88 -0.20 0.00 -0.96 0.00 0.00 56.93 54.10 1xn1 s PHE 17 Cb -0.15 -3.51 0.09 0.00 -0.34 0.00 0.00 43.02 39.11 1xn1 s PHE 17 CO 0.15 -0.99 0.77 0.42 -1.46 0.00 0.00 175.22 174.11 1xn1 s ILE 18 N 1.29 4.68 -0.20 3.12 1.01 0.49 -0.92 121.20 130.67 1xn1 s ILE 18 Ca 0.06 -0.75 -0.09 0.00 0.00 0.00 0.00 60.65 59.88 1xn1 s ILE 18 Cb -0.26 -4.53 -0.04 0.00 0.01 0.00 0.00 42.46 37.64 1xn1 s ILE 18 CO -0.01 -1.19 0.10 -1.58 0.00 0.00 0.00 174.94 172.26 1xn1 s GLN 19 N 3.09 4.05 0.32 2.79 0.74 0.34 -1.15 119.66 129.83 1xn1 s GLN 19 Ca 0.15 -0.30 -0.27 0.00 0.05 0.00 0.00 55.36 54.99 1xn1 s GLN 19 Cb -0.21 -3.32 -0.09 0.00 1.10 0.00 0.00 33.01 30.48 1xn1 s GLN 19 CO 0.08 0.25 1.03 0.00 -0.55 0.00 0.00 175.29 176.10 1xn1 s ALA 20 N 0.47 3.26 0.24 1.58 0.00 -0.45 -1.45 121.76 125.42 1xn1 s ALA 20 Ca 0.05 0.72 -0.05 0.00 0.00 0.00 0.00 51.96 52.68 1xn1 s ALA 20 Cb -0.12 -3.26 0.33 0.00 0.00 0.00 0.00 23.12 20.07 1xn1 s ALA 20 CO -0.00 -0.05 1.87 0.00 0.00 0.00 0.00 175.76 177.58 1xn1 h ARG 21 N 3.37 1.01 -6.95 0.00 2.47 0.18 -3.44 114.38 111.02 1xn1 h ARG 21 Ca -0.47 -0.06 -0.54 0.00 -1.26 0.00 0.00 59.98 57.65 1xn1 h ARG 21 Cb 1.21 -0.23 0.11 0.00 -1.65 0.00 0.00 29.97 29.41 1xn1 h ARG 21 CO 0.65 0.67 0.79 -1.58 0.56 0.00 0.00 179.97 181.07 1xn1 s TRP 22 N -6.07 2.55 -1.37 3.04 0.52 -1.20 -3.08 118.94 113.34 1xn1 s TRP 22 Ca -0.13 1.15 -0.08 0.00 0.02 0.00 0.00 56.10 57.06 1xn1 s TRP 22 Cb 0.18 -4.05 0.02 0.00 -1.15 0.00 0.00 33.47 28.48 1xn1 s TRP 22 CO 0.80 -3.08 1.11 0.72 0.02 0.00 0.00 176.95 176.51 1xn1 n HIS 23 N 0.45 -2.66 -0.11 -1.98 8.25 -1.26 -4.54 115.22 113.37 1xn1 n HIS 23 Ca 0.01 0.98 -0.05 0.00 -0.26 0.00 0.00 57.72 58.40 1xn1 n HIS 23 Cb 0.39 -4.83 0.01 0.00 1.12 0.00 0.00 29.99 26.67 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 0.99 0.22 -1.00 -1.41 0.00 -1.82 0.27 119.26 116.51 1xn1 h ALA 24 Ca -0.58 0.14 0.39 0.00 0.00 0.00 0.00 54.91 54.86 1xn1 h ALA 24 Cb 1.37 0.31 -0.17 0.00 0.00 0.00 0.00 17.79 19.30 1xn1 h ALA 24 CO 0.57 -0.47 0.51 0.22 0.00 0.00 0.00 179.25 180.08 1xn1 h ASP 25 N -0.03 0.31 0.00 0.00 1.82 -1.91 0.29 116.42 116.90 1xn1 h ASP 25 Ca 0.18 0.25 -0.09 0.00 -0.39 0.00 0.00 57.03 56.98 1xn1 h ASP 25 Cb 0.30 0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.55 1xn1 h ASP 25 CO -0.40 -0.36 -0.85 -0.38 -1.61 0.00 0.00 179.24 175.64 1xn1 n ILE 26 N -5.23 1.46 -0.34 2.25 5.41 -0.48 -4.24 119.36 118.20 1xn1 n ILE 26 Ca 0.35 0.12 0.12 0.00 1.00 0.00 0.00 62.75 64.34 1xn1 n ILE 26 Cb 1.18 -2.26 0.32 0.00 -0.71 0.00 0.00 39.64 38.17 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 -1.00 0.79 -1.00 1.39 2.07 -0.62 -0.23 116.25 117.65 1xn1 h VAL 27 Ca -0.14 -0.27 0.23 0.00 0.82 0.00 0.00 66.70 67.34 1xn1 h VAL 27 Cb 0.83 -0.08 -0.09 0.00 -1.52 0.00 0.00 31.29 30.42 1xn1 h VAL 27 CO -0.08 0.15 0.63 0.44 0.02 0.00 0.00 177.57 178.73 1xn1 h ASP 28 N 0.80 0.54 -0.52 0.57 3.45 -0.63 -0.13 116.42 120.50 1xn1 h ASP 28 Ca 0.53 0.08 -0.02 0.00 0.43 0.00 0.00 57.03 58.05 1xn1 h ASP 28 Cb 0.77 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.51 1xn1 h ASP 28 CO -0.30 0.16 0.25 -0.08 -1.57 0.00 0.00 179.24 177.70 1xn1 h GLU 29 N 0.51 0.75 -0.45 3.56 4.57 -1.21 0.38 114.58 122.69 1xn1 h GLU 29 Ca 0.57 -0.11 0.03 0.00 -1.18 0.00 0.00 59.36 58.66 1xn1 h GLU 29 Cb 1.25 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.67 1xn1 h GLU 29 CO -0.30 0.61 0.26 0.00 -1.18 0.00 0.00 179.01 178.40 1xn1 h ALA 30 N 1.09 0.58 0.28 2.92 0.00 -0.91 -1.05 119.26 122.17 1xn1 h ALA 30 Ca 0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1xn1 h ALA 30 Cb 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xn1 h ALA 30 CO -0.02 -0.07 -0.13 -0.09 0.00 0.00 0.00 179.25 178.93 1xn1 h ARG 31 N 0.52 -0.36 -0.37 0.00 2.43 -0.90 0.36 114.38 116.05 1xn1 h ARG 31 Ca 0.19 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.44 1xn1 h ARG 31 Cb 0.04 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 1xn1 h ARG 31 CO -0.10 -0.11 0.04 0.87 -1.51 0.00 0.00 179.97 179.16 1xn1 h LYS 32 N -0.58 0.15 0.00 0.20 1.57 -0.11 0.24 116.57 118.04 1xn1 h LYS 32 Ca -0.04 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 1xn1 h LYS 32 Cb 0.42 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1xn1 h LYS 32 CO 0.06 0.10 -0.39 0.66 -0.57 0.00 0.00 179.45 179.31 1xn1 h SER 33 N 0.15 0.00 0.10 0.86 4.64 -1.18 0.95 113.55 119.07 1xn1 h SER 33 Ca 0.18 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1xn1 h SER 33 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1xn1 h SER 33 CO -0.27 0.39 -0.05 0.15 -0.87 0.00 0.00 176.83 176.19 1xn1 h PHE 34 N 0.00 -0.13 -0.73 4.77 3.57 0.99 -0.06 116.94 125.35 1xn1 h PHE 34 Ca -0.00 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 1xn1 h PHE 34 Cb 1.01 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.76 1xn1 h PHE 34 CO 0.00 0.15 0.26 0.28 -2.23 0.00 0.00 178.31 176.77 1xn1 h VAL 35 N -0.40 1.26 0.14 1.41 2.07 -0.46 -2.26 116.25 118.00 1xn1 h VAL 35 Ca -0.01 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.67 1xn1 h VAL 35 Cb 0.34 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1xn1 h VAL 35 CO 0.02 0.34 -0.26 0.00 0.02 0.00 0.00 177.57 177.69 1xn1 h ALA 36 N 1.13 -0.46 0.52 1.67 0.00 -0.61 0.20 119.26 121.71 1xn1 h ALA 36 Ca 0.24 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1xn1 h ALA 36 Cb 0.27 0.41 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1xn1 h ALA 36 CO -0.01 -0.80 -0.25 0.93 0.00 0.00 0.00 179.25 179.12 1xn1 h GLU 37 N -0.48 -0.67 -0.73 0.00 4.39 -0.88 -1.54 114.58 114.67 1xn1 h GLU 37 Ca 0.02 0.05 0.12 0.00 0.34 0.00 0.00 59.36 59.89 1xn1 h GLU 37 Cb 0.50 0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 29.21 1xn1 h GLU 37 CO -0.13 -0.43 0.31 -0.07 -1.16 0.00 0.00 179.01 177.53 1xn1 h LEU 38 N -0.73 0.33 -0.60 1.33 3.38 -1.37 0.33 115.31 117.99 1xn1 h LEU 38 Ca -0.07 0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.11 1xn1 h LEU 38 Cb 0.55 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.26 1xn1 h LEU 38 CO 0.12 0.15 0.03 0.00 0.09 0.00 0.00 178.44 178.83 1xn1 h ALA 39 N 1.50 0.62 -0.19 1.53 0.00 -0.64 0.80 119.26 122.87 1xn1 h ALA 39 Ca 0.39 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1xn1 h ALA 39 Cb 0.53 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1xn1 h ALA 39 CO -0.36 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 178.52 1xn1 n ALA 40 N -2.73 -0.34 0.05 0.00 0.00 0.64 -0.85 120.51 117.29 1xn1 n ALA 40 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.54 1xn1 n ALA 40 Cb 0.34 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.86 1xn1 n ALA 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xn1 n LYS 41 N -1.91 0.02 -0.57 0.00 4.76 0.83 -1.08 118.16 120.21 1xn1 n LYS 41 Ca 0.00 0.30 0.06 0.00 -2.87 0.00 0.00 58.31 55.80 1xn1 n LYS 41 Cb 0.00 -1.90 0.10 0.00 -1.84 0.00 0.00 35.03 31.39 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 -1.43 1.18 -3.38 -0.18 -2.24 0.25 -4.96 114.28 103.53 1xn1 n THR 42 Ca -0.00 -1.75 -0.22 0.00 -2.27 0.00 0.00 64.05 59.80 1xn1 n THR 42 Cb 0.34 0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.66 -0.48 2.42 3.38 0.00 -0.24 0.48 105.19 110.08 1xn1 n GLY 43 Ca 0.11 0.07 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 1.49 0.01 -0.02 0.00 -0.03 -4.88 105.19 100.71 1xn1 n GLY 44 Ca 0.00 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 45.81 1xn1 n GLY 44 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xn1 n SER 45 N -0.33 0.28 -4.80 1.61 3.41 0.18 -4.79 113.62 109.18 1xn1 n SER 45 Ca -0.14 0.25 -0.38 0.00 -0.26 0.00 0.00 58.87 58.34 1xn1 n SER 45 Cb 0.47 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 1xn1 n SER 45 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1xn1 s VAL 46 N -3.02 5.13 -0.34 -3.33 1.01 -1.26 -3.91 120.40 114.68 1xn1 s VAL 46 Ca 0.12 0.78 -0.07 0.00 0.00 0.00 0.00 61.98 62.81 1xn1 s VAL 46 Cb 0.17 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.90 1xn1 s VAL 46 CO 0.60 0.51 0.11 -1.61 0.00 0.00 0.00 175.10 174.71 1xn1 s GLU 47 N -0.54 2.63 -0.70 2.72 2.02 -0.64 -4.89 118.70 119.31 1xn1 s GLU 47 Ca 0.22 -1.17 -0.18 0.00 0.02 0.00 0.00 54.97 53.86 1xn1 s GLU 47 Cb -0.16 -3.47 0.12 0.00 0.10 0.00 0.00 34.13 30.73 1xn1 s GLU 47 CO 0.11 -0.66 0.82 0.08 0.02 0.00 0.00 175.26 175.62 1xn1 s VAL 48 N 1.41 4.89 -0.04 2.63 1.01 -1.26 -0.71 120.40 128.32 1xn1 s VAL 48 Ca -0.02 -1.29 -0.30 0.00 0.00 0.00 0.00 61.98 60.38 1xn1 s VAL 48 Cb -0.19 -4.56 -0.03 0.00 0.00 0.00 0.00 36.38 31.59 1xn1 s VAL 48 CO 0.03 -1.21 1.14 -1.61 0.00 0.00 0.00 175.10 173.45 1xn1 s GLU 49 N 2.40 4.40 -0.07 2.72 2.02 -0.04 -4.88 118.70 125.26 1xn1 s GLU 49 Ca 0.17 1.61 -0.17 0.00 0.02 0.00 0.00 54.97 56.61 1xn1 s GLU 49 Cb -0.18 -3.51 -0.05 0.00 0.10 0.00 0.00 34.13 30.49 1xn1 s GLU 49 CO 0.01 -0.36 0.45 0.42 0.02 0.00 0.00 175.26 175.80 1xn1 s ILE 50 N 1.88 5.11 -0.12 -1.63 1.09 -1.26 -0.88 121.20 125.39 1xn1 s ILE 50 Ca 0.55 0.90 -0.01 0.00 -1.10 0.00 0.00 60.65 60.99 1xn1 s ILE 50 Cb -0.24 -3.77 0.03 0.00 -1.06 0.00 0.00 42.46 37.42 1xn1 s ILE 50 CO 0.23 0.43 -0.05 -0.36 -0.10 0.00 0.00 174.94 175.09 1xn1 s PHE 51 N -0.07 1.35 0.24 3.97 0.40 -0.10 -4.96 117.98 118.82 1xn1 s PHE 51 Ca 0.25 -0.70 -0.11 0.00 -0.60 0.00 0.00 56.93 55.77 1xn1 s PHE 51 Cb -0.16 -1.16 -0.07 0.00 0.51 0.00 0.00 43.02 42.14 1xn1 s PHE 51 CO 0.11 -0.50 0.58 -0.51 0.70 0.00 0.00 175.22 175.60 1xn1 s ASP 52 N 1.75 6.66 -0.04 1.36 1.01 -1.26 -0.51 116.67 125.64 1xn1 s ASP 52 Ca 0.04 0.98 -0.06 0.00 0.71 0.00 0.00 52.55 54.22 1xn1 s ASP 52 Cb -0.13 -2.25 0.01 0.00 1.01 0.00 0.00 42.92 41.56 1xn1 s ASP 52 CO -0.08 -0.09 0.15 -0.69 0.21 0.00 0.00 175.17 174.68 1xn1 s VAL 53 N -1.83 0.03 0.00 -1.27 1.01 -0.53 -4.91 120.40 112.90 1xn1 s VAL 53 Ca 0.48 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1xn1 s VAL 53 Cb -0.11 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1xn1 s VAL 53 CO 0.20 -0.13 0.91 -2.65 0.00 0.00 0.00 175.10 173.43 1xn1 n PRO 54 N 2.46 0.00 -4.56 2.72 -0.02 -1.26 0.13 135.00 134.47 1xn1 n PRO 54 Ca -0.16 0.75 -0.26 0.00 -2.02 0.00 0.00 63.50 61.81 1xn1 n PRO 54 Cb 0.58 -1.41 -0.09 0.00 -0.02 0.00 0.00 33.50 32.55 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 -0.82 2.49 0.60 -1.23 0.00 -1.26 -1.99 107.32 105.12 1xn1 s GLY 55 Ca 0.00 -1.54 0.31 0.00 0.00 0.00 0.00 44.72 43.49 1xn1 s GLY 55 CO 0.00 -1.94 2.20 0.00 0.00 0.00 0.00 173.10 173.36 1xn1 h ALA 56 N 1.81 1.55 -0.21 3.20 0.00 -1.92 -1.32 119.26 122.38 1xn1 h ALA 56 Ca -0.40 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1xn1 h ALA 56 Cb 1.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1xn1 h ALA 56 CO 0.69 -0.12 -0.10 -0.92 0.00 0.00 0.00 179.25 178.80 1xn1 h TYR 57 N 0.00 0.35 -0.05 0.00 3.20 -1.95 -1.84 116.97 116.69 1xn1 h TYR 57 Ca 0.03 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1xn1 h TYR 57 Cb 0.20 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1xn1 h TYR 57 CO 0.00 0.44 0.00 0.39 -1.64 0.00 0.00 178.16 177.35 1xn1 n GLU 58 N -4.27 1.30 0.07 1.82 4.71 -0.50 -4.13 120.64 119.64 1xn1 n GLU 58 Ca -0.00 -0.44 -0.10 0.00 -0.01 0.00 0.00 57.16 56.60 1xn1 n GLU 58 Cb 0.27 -1.39 -0.07 0.00 -1.01 0.00 0.00 31.44 29.24 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 0.96 0.74 -0.60 -3.67 2.04 -1.40 -3.14 117.51 112.44 1xn1 h ILE 59 Ca 0.00 -1.05 0.06 0.00 1.00 0.00 0.00 64.86 64.87 1xn1 h ILE 59 Cb 0.21 1.24 -0.09 0.00 -0.74 0.00 0.00 36.82 37.43 1xn1 h ILE 59 CO 0.00 0.19 -0.56 -0.65 0.00 0.00 0.00 178.15 177.13 1xn1 h PRO 60 N -0.89 -0.25 -0.58 2.37 0.11 -1.73 0.37 132.00 131.40 1xn1 h PRO 60 Ca -0.03 0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.17 1xn1 h PRO 60 Cb 0.51 0.06 -0.06 0.00 0.11 0.00 0.00 31.00 31.62 1xn1 h PRO 60 CO 0.04 -0.17 0.27 1.25 -0.21 0.00 0.00 178.00 179.18 1xn1 h LEU 61 N -0.26 0.35 -0.32 2.35 5.85 -1.82 0.10 115.31 121.56 1xn1 h LEU 61 Ca 0.10 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1xn1 h LEU 61 Cb 0.53 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1xn1 h LEU 61 CO -0.70 0.23 0.12 -0.74 -0.34 0.00 0.00 178.44 177.01 1xn1 h HIS 62 N 0.50 0.23 -0.61 1.25 2.76 -1.23 0.15 115.15 118.20 1xn1 h HIS 62 Ca 0.27 0.02 0.11 0.00 -2.20 0.00 0.00 60.37 58.56 1xn1 h HIS 62 Cb 0.24 -0.06 -0.08 0.00 1.55 0.00 0.00 27.41 29.06 1xn1 h HIS 62 CO -0.12 0.11 0.17 0.00 -1.30 0.00 0.00 177.93 176.79 1xn1 h ALA 63 N 1.19 0.75 0.34 5.26 0.00 0.16 0.13 119.26 127.09 1xn1 h ALA 63 Ca 0.14 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1xn1 h ALA 63 Cb 0.09 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1xn1 h ALA 63 CO -0.13 -0.27 -0.16 -0.22 0.00 0.00 0.00 179.25 178.47 1xn1 h LYS 64 N 0.31 -0.44 -0.73 0.00 3.64 -0.07 0.48 116.57 119.77 1xn1 h LYS 64 Ca 0.32 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.89 1xn1 h LYS 64 Cb 0.45 0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 32.26 1xn1 h LYS 64 CO -0.37 -0.16 0.14 1.15 -2.27 0.00 0.00 179.45 177.94 1xn1 h THR 65 N -0.70 0.47 -0.20 1.00 2.02 -0.18 0.69 112.91 116.01 1xn1 h THR 65 Ca -0.05 -0.08 -0.12 0.00 0.77 0.00 0.00 66.41 66.94 1xn1 h THR 65 Cb 0.49 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1xn1 h THR 65 CO 0.08 0.04 -0.33 -0.07 0.37 0.00 0.00 175.52 175.60 1xn1 h LEU 66 N 0.22 0.65 -0.75 2.58 3.38 -0.64 -3.19 115.31 117.57 1xn1 h LEU 66 Ca 0.41 -0.53 0.05 0.00 0.09 0.00 0.00 57.88 57.91 1xn1 h LEU 66 Cb 0.71 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1xn1 h LEU 66 CO -0.54 1.05 0.45 0.00 0.09 0.00 0.00 178.44 179.49 1xn1 h ALA 67 N 0.61 1.01 -0.90 1.53 0.00 0.13 -2.44 119.26 119.20 1xn1 h ALA 67 Ca 0.02 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1xn1 h ALA 67 Cb 0.92 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 1xn1 h ALA 67 CO 0.08 0.18 0.59 0.00 0.00 0.00 0.00 179.25 180.10 1xn1 h ARG 68 N 0.84 1.05 -0.20 0.00 3.08 -0.91 -1.32 114.38 116.92 1xn1 h ARG 68 Ca 0.32 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.37 1xn1 h ARG 68 Cb 0.14 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1xn1 h ARG 68 CO -0.16 0.69 0.51 1.79 -1.07 0.00 0.00 179.97 181.73 1xn1 h THR 69 N 1.08 0.12 0.00 2.04 1.35 -1.44 -3.44 112.91 112.62 1xn1 h THR 69 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.23 1xn1 h THR 69 Cb 0.10 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.06 1xn1 h THR 69 CO -0.13 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.75 1xn1 n GLY 70 N -1.37 0.52 0.18 5.82 0.00 -0.50 -4.85 105.19 104.99 1xn1 n GLY 70 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.07 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 1.54 0.00 -6.09 1.61 3.08 -1.81 -3.44 114.38 109.26 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 0.06 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 29.95 1xn1 h ARG 71 CO 0.00 0.43 -0.66 0.71 -1.07 0.00 0.00 179.97 179.38 1xn1 s TYR 72 N -3.95 3.05 -1.14 3.04 1.51 -1.26 -4.15 117.35 114.44 1xn1 s TYR 72 Ca -0.02 0.10 0.26 0.00 -1.01 0.00 0.00 57.07 56.40 1xn1 s TYR 72 Cb 0.13 -1.72 0.78 0.00 -0.11 0.00 0.00 41.96 41.04 1xn1 s TYR 72 CO 0.72 0.42 1.60 0.00 -1.11 0.00 0.00 175.55 177.18 1xn1 n ALA 73 N 1.96 3.13 -3.58 3.71 0.00 -0.72 -4.89 120.51 120.13 1xn1 n ALA 73 Ca -0.17 -0.29 -0.10 0.00 0.00 0.00 0.00 53.44 52.88 1xn1 n ALA 73 Cb 0.53 -1.23 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.89 -1.94 0.04 0.00 0.00 -1.26 -4.37 121.76 111.34 1xn1 s ALA 74 Ca 0.15 1.57 0.05 0.00 0.00 0.00 0.00 51.96 53.73 1xn1 s ALA 74 Cb 0.18 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1xn1 s ALA 74 CO 0.62 -0.33 -0.14 0.42 0.00 0.00 0.00 175.76 176.33 1xn1 s ILE 75 N -1.24 1.12 -0.06 0.00 1.01 0.35 -1.25 121.20 121.12 1xn1 s ILE 75 Ca -0.01 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.70 1xn1 s ILE 75 Cb -0.01 -1.01 0.00 0.00 0.01 0.00 0.00 42.46 41.46 1xn1 s ILE 75 CO 0.01 0.03 -0.17 -0.69 0.00 0.00 0.00 174.94 174.12 1xn1 s VAL 76 N -0.81 1.44 -0.17 2.92 1.01 0.26 0.88 120.40 125.91 1xn1 s VAL 76 Ca 0.02 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 1xn1 s VAL 76 Cb -0.08 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1xn1 s VAL 76 CO 0.01 0.42 0.03 -0.83 0.00 0.00 0.00 175.10 174.73 1xn1 s GLY 77 N 0.32 1.85 -0.04 4.51 0.00 0.81 -0.38 107.32 114.40 1xn1 s GLY 77 Ca -0.11 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 43.87 1xn1 s GLY 77 CO 0.04 0.02 -0.09 0.00 0.00 0.00 0.00 173.10 173.07 1xn1 s ALA 78 N 0.36 0.92 -0.11 3.20 0.00 -0.30 0.17 121.76 126.00 1xn1 s ALA 78 Ca 0.01 -0.28 -0.31 0.00 0.00 0.00 0.00 51.96 51.37 1xn1 s ALA 78 Cb -0.13 -0.41 0.12 0.00 0.00 0.00 0.00 23.12 22.71 1xn1 s ALA 78 CO 0.01 0.10 1.04 0.00 0.00 0.00 0.00 175.76 176.91 1xn1 s ALA 79 N 0.48 -1.94 -0.78 0.00 0.00 -0.64 -1.34 121.76 117.54 1xn1 s ALA 79 Ca -0.08 1.35 0.01 0.00 0.00 0.00 0.00 51.96 53.24 1xn1 s ALA 79 Cb -0.12 -0.02 0.19 0.00 0.00 0.00 0.00 23.12 23.17 1xn1 s ALA 79 CO 0.01 -0.58 0.62 0.12 0.00 0.00 0.00 175.76 175.93 1xn1 s PHE 80 N -2.49 3.70 -0.29 0.00 5.99 -1.26 -2.37 117.98 121.25 1xn1 s PHE 80 Ca 0.06 -3.11 -0.29 0.00 0.00 0.00 0.00 56.93 53.59 1xn1 s PHE 80 Cb -0.01 -3.04 0.01 0.00 0.00 0.00 0.00 43.02 39.99 1xn1 s PHE 80 CO -0.06 -0.68 1.07 0.08 -0.00 0.00 0.00 175.22 175.63 1xn1 s VAL 81 N -1.19 4.55 0.26 3.12 1.01 -0.56 -4.93 120.40 122.65 1xn1 s VAL 81 Ca 0.25 1.81 0.05 0.00 0.00 0.00 0.00 61.98 64.09 1xn1 s VAL 81 Cb -0.09 -4.38 -0.06 0.00 0.00 0.00 0.00 36.38 31.86 1xn1 s VAL 81 CO -0.12 -0.39 -0.02 0.27 0.00 0.00 0.00 175.10 174.83 1xn1 s ILE 82 N 3.54 1.31 -1.04 2.22 -4.36 -1.26 -3.80 121.20 117.81 1xn1 s ILE 82 Ca 0.45 -2.07 -0.23 0.00 -0.26 0.00 0.00 60.65 58.55 1xn1 s ILE 82 Cb -0.13 -2.42 0.04 0.00 1.25 0.00 0.00 42.46 41.20 1xn1 s ILE 82 CO 0.13 -0.29 1.56 -0.62 0.24 0.00 0.00 174.94 175.95 1xn1 s ASP 83 N -3.38 6.35 0.00 4.36 -1.08 -1.26 -4.58 116.67 117.08 1xn1 s ASP 83 Ca 0.29 -1.48 0.00 0.00 -0.52 0.00 0.00 52.55 50.84 1xn1 s ASP 83 Cb 0.05 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 1xn1 s ASP 83 CO 0.10 -1.65 0.24 0.61 0.52 0.00 0.00 175.17 175.00 1xn1 n GLY 84 N 6.68 0.00 4.36 2.66 0.00 -1.26 -4.76 105.19 112.87 1xn1 n GLY 84 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.72 1.92 0.19 -0.02 0.00 -1.26 -4.67 105.19 100.63 1xn1 n GLY 85 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.64 1.47 -4.08 -0.61 5.41 -1.26 -5.03 119.36 113.62 1xn1 n ILE 86 Ca 0.00 0.15 -0.23 0.00 1.00 0.00 0.00 62.75 63.67 1xn1 n ILE 86 Cb 0.00 -2.26 -0.06 0.00 -0.71 0.00 0.00 39.64 36.61 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 -2.81 2.73 0.23 1.39 1.51 -1.26 -5.10 117.35 114.03 1xn1 s TYR 87 Ca -0.26 -0.37 -0.30 0.00 -1.01 0.00 0.00 57.07 55.13 1xn1 s TYR 87 Cb 0.04 -1.64 -0.09 0.00 -0.11 0.00 0.00 41.96 40.16 1xn1 s TYR 87 CO 0.39 0.33 0.97 1.03 -1.11 0.00 0.00 175.55 177.16 1xn1 s ARG 88 N -3.85 4.81 -0.22 -0.62 0.52 -1.26 -4.22 118.95 114.11 1xn1 s ARG 88 Ca 0.38 1.53 0.07 0.00 -0.52 0.00 0.00 55.73 57.19 1xn1 s ARG 88 Cb -0.03 -3.28 -0.21 0.00 0.52 0.00 0.00 34.95 31.95 1xn1 s ARG 88 CO 0.23 0.43 -0.03 -2.39 0.02 0.00 0.00 175.30 173.56 1xn1 n HIS 89 N 1.65 0.17 -0.32 -0.53 1.44 -1.26 -4.61 115.22 111.76 1xn1 n HIS 89 Ca -0.01 0.04 0.16 0.00 -2.01 0.00 0.00 57.72 55.90 1xn1 n HIS 89 Cb 0.47 -1.02 0.35 0.00 0.12 0.00 0.00 29.99 29.91 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 0.01 0.44 0.52 4.39 3.04 -1.93 0.22 116.42 123.11 1xn1 h ASP 90 Ca -0.54 0.16 -0.02 0.00 -3.24 0.00 0.00 57.03 53.39 1xn1 h ASP 90 Cb 2.04 0.11 -0.01 0.00 -1.04 0.00 0.00 39.33 40.43 1xn1 h ASP 90 CO -0.02 -0.00 -0.41 -0.26 -2.04 0.00 0.00 179.24 176.50 1xn1 h PHE 91 N 0.43 -1.12 0.04 4.15 -1.00 -2.00 0.22 116.94 117.67 1xn1 h PHE 91 Ca 0.61 -0.00 0.03 0.00 2.81 0.00 0.00 57.97 61.42 1xn1 h PHE 91 Cb 1.20 0.42 -0.05 0.00 3.61 0.00 0.00 35.95 41.14 1xn1 h PHE 91 CO -0.09 -0.57 -0.35 0.28 -1.61 0.00 0.00 178.31 175.97 1xn1 h VAL 92 N -0.90 0.27 -0.82 -0.55 2.07 -1.63 -1.29 116.25 113.40 1xn1 h VAL 92 Ca -0.07 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.62 1xn1 h VAL 92 Cb 0.75 0.27 -0.16 0.00 -1.52 0.00 0.00 31.29 30.63 1xn1 h VAL 92 CO 0.01 0.00 -0.21 0.00 0.02 0.00 0.00 177.57 177.39 1xn1 h ALA 93 N 0.13 0.53 0.31 1.67 0.00 -0.40 0.51 119.26 122.00 1xn1 h ALA 93 Ca 0.05 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1xn1 h ALA 93 Cb 0.59 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1xn1 h ALA 93 CO -0.25 -0.41 -0.24 1.15 0.00 0.00 0.00 179.25 179.50 1xn1 h THR 94 N -0.00 0.00 -1.30 0.00 2.02 0.22 0.86 112.91 114.71 1xn1 h THR 94 Ca 0.39 0.00 0.41 0.00 0.77 0.00 0.00 66.41 67.98 1xn1 h THR 94 Cb 0.60 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.89 1xn1 h THR 94 CO -0.84 0.00 0.84 0.00 0.37 0.00 0.00 175.52 175.89 1xn1 h ALA 95 N -1.44 2.71 0.30 6.16 0.00 -0.37 0.44 119.26 127.07 1xn1 h ALA 95 Ca -0.04 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xn1 h ALA 95 Cb 0.44 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1xn1 h ALA 95 CO 0.01 -1.30 -0.15 0.28 0.00 0.00 0.00 179.25 178.09 1xn1 h VAL 96 N 0.12 0.00 -0.98 0.00 2.07 -0.39 0.31 116.25 117.39 1xn1 h VAL 96 Ca 0.79 -0.53 0.18 0.00 0.82 0.00 0.00 66.70 67.95 1xn1 h VAL 96 Cb 2.45 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 32.13 1xn1 h VAL 96 CO -0.38 0.00 0.61 0.40 0.02 0.00 0.00 177.57 178.22 1xn1 h ILE 97 N -0.94 0.75 -0.08 4.57 5.03 0.61 0.42 117.51 127.87 1xn1 h ILE 97 Ca -0.04 -0.26 -0.03 0.00 -0.12 0.00 0.00 64.86 64.41 1xn1 h ILE 97 Cb 0.31 -0.06 -0.00 0.00 -3.03 0.00 0.00 36.82 34.04 1xn1 h ILE 97 CO 0.07 0.14 -0.08 0.78 -0.68 0.00 0.00 178.15 178.38 1xn1 h ASN 98 N 0.75 0.20 -0.19 1.72 -0.26 -0.25 -3.01 115.58 114.53 1xn1 h ASN 98 Ca 0.53 -0.48 0.03 0.00 -0.56 0.00 0.00 56.30 55.82 1xn1 h ASN 98 Cb 0.85 -0.06 -0.06 0.00 -1.06 0.00 0.00 38.32 38.00 1xn1 h ASN 98 CO -0.31 0.64 -0.43 1.23 -1.06 0.00 0.00 177.43 177.51 1xn1 h GLY 99 N -0.23 -1.21 -0.24 2.83 0.00 0.17 0.68 103.07 105.06 1xn1 h GLY 99 Ca 0.01 0.71 0.21 0.00 0.00 0.00 0.00 47.33 48.26 1xn1 h GLY 99 CO 0.02 -0.28 0.32 -0.33 0.00 0.00 0.00 176.54 176.28 1xn1 h MET 100 N -0.39 0.32 -0.59 4.80 2.86 -1.22 0.57 114.93 121.28 1xn1 h MET 100 Ca 0.04 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1xn1 h MET 100 Cb 0.50 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 1xn1 h MET 100 CO -0.39 0.21 0.23 1.98 1.06 0.00 0.00 176.91 180.00 1xn1 h MET 101 N 0.33 0.88 -0.52 1.72 -1.53 -0.85 -0.26 114.93 114.71 1xn1 h MET 101 Ca 0.54 -0.16 -0.00 0.00 -3.44 0.00 0.00 59.70 56.63 1xn1 h MET 101 Cb 1.02 -0.14 -0.03 0.00 -0.55 0.00 0.00 31.60 31.90 1xn1 h MET 101 CO -0.55 0.76 0.31 0.37 0.14 0.00 0.00 176.91 177.94 1xn1 h GLN 102 N 0.81 0.70 0.43 0.39 4.15 0.50 -1.92 115.11 120.17 1xn1 h GLN 102 Ca 0.19 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 1xn1 h GLN 102 Cb 0.22 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1xn1 h GLN 102 CO -0.01 0.51 -0.20 0.28 -1.93 0.00 0.00 178.83 177.47 1xn1 h VAL 103 N 0.70 0.54 -0.29 2.39 2.07 0.15 -1.59 116.25 120.22 1xn1 h VAL 103 Ca 0.19 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1xn1 h VAL 103 Cb -0.01 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1xn1 h VAL 103 CO -0.04 0.06 0.19 0.06 0.02 0.00 0.00 177.57 177.87 1xn1 h GLN 104 N -0.80 0.35 -0.04 1.57 3.07 -1.05 0.39 115.11 118.61 1xn1 h GLN 104 Ca -0.06 -0.02 -0.11 0.00 0.09 0.00 0.00 58.65 58.55 1xn1 h GLN 104 Cb 0.54 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.01 1xn1 h GLN 104 CO 0.10 0.23 -0.48 -0.07 0.09 0.00 0.00 178.83 178.70 1xn1 h LEU 105 N 0.36 0.10 0.28 0.06 3.38 -1.24 0.58 115.31 118.84 1xn1 h LEU 105 Ca 0.11 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1xn1 h LEU 105 Cb 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1xn1 h LEU 105 CO -0.02 0.56 -0.14 -0.08 0.09 0.00 0.00 178.44 178.85 1xn1 h GLU 106 N 0.07 -0.37 0.00 1.13 4.81 0.49 -3.34 114.58 117.37 1xn1 h GLU 106 Ca 0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1xn1 h GLU 106 Cb 0.88 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.34 1xn1 h GLU 106 CO 0.07 -0.18 -0.03 1.79 -0.73 0.00 0.00 179.01 179.93 1xn1 h THR 107 N -1.07 0.06 -5.60 0.32 1.35 -0.47 -3.47 112.91 104.02 1xn1 h THR 107 Ca -0.04 -0.91 -0.36 0.00 -0.55 0.00 0.00 66.41 64.55 1xn1 h THR 107 Cb 0.36 1.87 0.14 0.00 -1.73 0.00 0.00 68.15 68.79 1xn1 h THR 107 CO 0.06 0.03 -0.68 -0.62 -0.25 0.00 0.00 175.52 174.06 1xn1 n GLU 108 N -3.11 -7.22 -3.97 4.72 1.02 0.20 -4.98 120.64 107.29 1xn1 n GLU 108 Ca 0.03 0.80 -0.29 0.00 -0.02 0.00 0.00 57.16 57.68 1xn1 n GLU 108 Cb 0.47 -5.74 -0.16 0.00 -0.02 0.00 0.00 31.44 25.98 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 -3.32 1.41 0.14 2.62 1.01 -1.15 -5.05 120.40 116.06 1xn1 s VAL 109 Ca 0.37 -0.65 -0.35 0.00 0.00 0.00 0.00 61.98 61.35 1xn1 s VAL 109 Cb -0.16 -1.42 -0.15 0.00 0.00 0.00 0.00 36.38 34.65 1xn1 s VAL 109 CO 0.70 0.32 1.45 -2.65 0.00 0.00 0.00 175.10 174.92 1xn1 n PRO 110 N 4.80 1.71 -3.96 2.72 -0.02 -1.26 -4.25 135.00 134.74 1xn1 n PRO 110 Ca -0.15 0.61 -0.30 0.00 -2.02 0.00 0.00 63.50 61.64 1xn1 n PRO 110 Cb 0.49 -2.31 -0.16 0.00 -0.02 0.00 0.00 33.50 31.50 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 0.59 1.54 0.10 -1.45 1.01 -1.25 -0.50 120.40 120.43 1xn1 s VAL 111 Ca 0.79 -1.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 1xn1 s VAL 111 Cb -0.79 -1.72 -0.06 0.00 0.00 0.00 0.00 36.38 33.81 1xn1 s VAL 111 CO 0.43 0.02 0.45 -0.76 0.00 0.00 0.00 175.10 175.24 1xn1 s LEU 112 N 1.41 4.36 -0.28 3.92 1.02 0.25 -4.87 118.68 124.49 1xn1 s LEU 112 Ca -0.04 0.90 -0.08 0.00 0.02 0.00 0.00 54.13 54.94 1xn1 s LEU 112 Cb -0.18 -3.05 -0.01 0.00 0.02 0.00 0.00 46.19 42.98 1xn1 s LEU 112 CO -0.07 0.16 0.10 -0.55 0.02 0.00 0.00 176.35 176.01 1xn1 s SER 113 N -1.69 5.25 -0.28 2.29 0.15 -1.26 -0.14 113.70 118.02 1xn1 s SER 113 Ca 0.34 -0.48 0.08 0.00 0.70 0.00 0.00 55.95 56.59 1xn1 s SER 113 Cb -0.14 -1.93 0.45 0.00 -1.71 0.00 0.00 66.02 62.68 1xn1 s SER 113 CO 0.18 -0.14 1.27 0.52 1.20 0.00 0.00 173.24 176.27 1xn1 n VAL 114 N 4.92 2.47 -3.05 4.45 0.31 0.45 -4.81 118.33 123.08 1xn1 n VAL 114 Ca -0.15 -3.69 -0.44 0.00 -0.01 0.00 0.00 64.34 60.06 1xn1 n VAL 114 Cb 0.50 -0.75 0.01 0.00 -0.91 0.00 0.00 33.84 32.68 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 -0.90 5.01 -2.92 2.52 0.31 -1.15 -1.62 118.33 119.58 1xn1 n VAL 115 Ca 0.35 -5.63 -0.40 0.00 -0.01 0.00 0.00 64.34 58.66 1xn1 n VAL 115 Cb 0.87 -2.26 -0.06 0.00 -0.91 0.00 0.00 33.84 31.48 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 -2.01 4.61 -0.23 7.52 1.02 -1.00 -4.81 118.68 123.78 1xn1 s LEU 116 Ca 0.32 1.73 0.02 0.00 0.02 0.00 0.00 54.13 56.21 1xn1 s LEU 116 Cb 0.01 -3.38 0.05 0.00 0.02 0.00 0.00 46.19 42.88 1xn1 s LEU 116 CO 0.04 0.20 -0.11 -0.89 0.02 0.00 0.00 176.35 175.61 1xn1 s THR 117 N -1.16 1.87 0.60 5.49 2.01 -1.25 -1.50 115.64 121.71 1xn1 s THR 117 Ca 0.37 -1.28 -0.08 0.00 0.31 0.00 0.00 61.69 61.01 1xn1 s THR 117 Cb -0.24 -1.96 -0.01 0.00 0.01 0.00 0.00 72.50 70.30 1xn1 s THR 117 CO 0.28 0.09 0.96 -2.16 -0.69 0.00 0.00 174.62 173.09 1xn1 s PRO 118 N 1.27 3.21 0.01 4.92 0.04 -1.25 -4.99 135.00 138.21 1xn1 s PRO 118 Ca -0.04 0.35 -0.25 0.00 0.04 0.00 0.00 61.00 61.10 1xn1 s PRO 118 Cb -0.18 -2.18 -0.17 0.00 0.04 0.00 0.00 34.50 32.01 1xn1 s PRO 118 CO -0.07 -0.64 1.32 0.45 0.04 0.00 0.00 177.00 178.09 1xn1 h HIS 119 N -0.25 -0.28 -4.00 0.56 3.86 -1.99 -3.44 115.15 109.60 1xn1 h HIS 119 Ca -0.45 -0.01 -0.48 0.00 -1.16 0.00 0.00 60.37 58.27 1xn1 h HIS 119 Cb 1.23 0.09 -0.30 0.00 1.06 0.00 0.00 27.41 29.49 1xn1 h HIS 119 CO 0.55 0.04 -0.81 -1.01 0.86 0.00 0.00 177.93 177.56 1xn1 s HIS 120 N -4.82 1.23 -0.50 2.45 3.76 -1.26 -4.91 115.29 111.22 1xn1 s HIS 120 Ca -0.15 -0.28 0.07 0.00 -0.15 0.00 0.00 55.06 54.55 1xn1 s HIS 120 Cb 0.03 -0.82 0.20 0.00 1.11 0.00 0.00 32.58 33.10 1xn1 s HIS 120 CO 0.59 -0.08 0.75 0.34 -0.85 0.00 0.00 174.74 175.49 1xn1 n PHE 121 N 3.01 -3.53 -2.94 1.40 7.35 -1.26 -5.09 117.46 116.40 1xn1 n PHE 121 Ca -0.16 -1.59 -0.43 0.00 -0.76 0.00 0.00 57.45 54.51 1xn1 n PHE 121 Cb 0.54 1.42 -0.05 0.00 0.35 0.00 0.00 39.48 41.74 1xn1 n PHE 121 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1xn1 s HIS 121 N 0.75 2.94 -0.55 -5.13 3.76 -1.26 -4.89 115.29 110.92 1xn1 s HIS 121 Ca 0.31 0.08 -0.05 0.00 -0.15 0.00 0.00 55.06 55.25 1xn1 s HIS 121 Cb 0.06 -3.77 -0.19 0.00 1.11 0.00 0.00 32.58 29.79 1xn1 s HIS 121 CO -0.11 -1.09 1.55 -1.91 -0.85 0.00 0.00 174.74 172.33 1xn1 n GLU 121 N 6.89 0.00 -4.54 1.40 4.07 -1.26 -4.78 120.64 122.41 1xn1 n GLU 121 Ca 0.02 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.83 1xn1 n GLU 121 Cb 0.48 -0.92 -0.07 0.00 -0.06 0.00 0.00 31.44 30.87 1xn1 n GLU 121 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1xn1 n SER 121 N 4.68 2.09 0.10 4.31 3.41 -1.26 -5.01 113.62 121.94 1xn1 n SER 121 Ca 0.37 -3.22 -0.07 0.00 -0.26 0.00 0.00 58.87 55.69 1xn1 n SER 121 Cb 0.26 0.78 -0.04 0.00 -0.26 0.00 0.00 64.21 64.95 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 -0.33 -1.00 4.33 -0.00 -1.99 -1.74 116.57 115.83 1xn1 h LYS 122 Ca -0.36 0.02 0.23 0.00 -0.00 0.00 0.00 60.65 60.54 1xn1 h LYS 122 Cb 1.25 0.08 -0.10 0.00 -0.00 0.00 0.00 32.23 33.46 1xn1 h LYS 122 CO 0.59 -0.14 0.63 0.93 -0.00 0.00 0.00 179.45 181.46 1xn1 h GLU 123 N -1.06 0.52 0.52 0.07 3.07 -1.98 -0.24 114.58 115.49 1xn1 h GLU 123 Ca -0.04 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.77 1xn1 h GLU 123 Cb 0.35 -0.12 0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1xn1 h GLU 123 CO 0.06 0.34 -0.25 0.45 -1.40 0.00 0.00 179.01 178.21 1xn1 h HIS 124 N 0.54 -0.65 -0.91 4.33 3.86 -1.87 -1.91 115.15 118.54 1xn1 h HIS 124 Ca 0.58 -0.02 0.17 0.00 -1.16 0.00 0.00 60.37 59.94 1xn1 h HIS 124 Cb 1.23 0.22 -0.10 0.00 1.06 0.00 0.00 27.41 29.81 1xn1 h HIS 124 CO -0.00 -0.40 0.50 1.25 0.86 0.00 0.00 177.93 180.13 1xn1 h HIS 125 N -1.02 0.87 -0.26 2.45 6.17 -0.77 -1.67 115.15 120.92 1xn1 h HIS 125 Ca -0.07 0.04 -0.10 0.00 0.71 0.00 0.00 60.37 60.95 1xn1 h HIS 125 Cb 0.54 -0.25 -0.00 0.00 2.52 0.00 0.00 27.41 30.22 1xn1 h HIS 125 CO 0.02 0.18 -0.21 -0.44 0.71 0.00 0.00 177.93 178.19 1xn1 h ASP 126 N 0.65 0.63 -0.10 3.26 3.32 -1.11 -2.18 116.42 120.89 1xn1 h ASP 126 Ca 0.52 -0.45 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1xn1 h ASP 126 Cb 0.79 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 40.10 1xn1 h ASP 126 CO -0.39 0.95 -0.53 0.15 -1.72 0.00 0.00 179.24 177.71 1xn1 h PHE 127 N 0.32 -1.57 0.00 4.55 3.57 -0.46 -0.02 116.94 123.33 1xn1 h PHE 127 Ca 0.05 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1xn1 h PHE 127 Cb 0.76 0.70 -0.00 0.00 2.79 0.00 0.00 35.95 40.19 1xn1 h PHE 127 CO 0.07 -0.54 -0.15 0.74 -2.23 0.00 0.00 178.31 176.20 1xn1 h PHE 128 N -0.59 0.00 -0.31 0.41 -1.00 -1.52 0.42 116.94 114.35 1xn1 h PHE 128 Ca 0.03 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.64 1xn1 h PHE 128 Cb 0.67 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.23 1xn1 h PHE 128 CO -0.57 0.15 -0.44 1.25 -1.61 0.00 0.00 178.31 177.09 1xn1 h HIS 129 N 0.00 0.99 -0.01 -0.55 -0.00 -0.68 0.20 115.15 115.09 1xn1 h HIS 129 Ca -0.00 -0.31 -0.21 0.00 -0.00 0.00 0.00 60.37 59.85 1xn1 h HIS 129 Cb 0.52 -0.20 -0.00 0.00 -0.00 0.00 0.00 27.41 27.72 1xn1 h HIS 129 CO 0.00 1.11 -0.87 0.00 -0.00 0.00 0.00 177.93 178.16 1xn1 h ALA 130 N 0.84 0.47 -0.14 5.26 0.00 -0.36 -3.30 119.26 122.03 1xn1 h ALA 130 Ca 0.04 -0.69 -0.13 0.00 0.00 0.00 0.00 54.91 54.12 1xn1 h ALA 130 Cb 1.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1xn1 h ALA 130 CO 0.10 0.84 -0.44 1.25 0.00 0.00 0.00 179.25 181.00 1xn1 h HIS 131 N 0.19 0.72 -0.07 0.00 6.17 0.09 -2.93 115.15 119.31 1xn1 h HIS 131 Ca -0.06 -0.29 0.02 0.00 0.71 0.00 0.00 60.37 60.76 1xn1 h HIS 131 Cb 1.49 -0.12 -0.00 0.00 2.52 0.00 0.00 27.41 31.30 1xn1 h HIS 131 CO 0.04 1.05 0.16 0.74 0.71 0.00 0.00 177.93 180.64 1xn1 h PHE 132 N 0.18 0.00 -0.03 5.26 -1.00 -0.71 0.39 116.94 121.03 1xn1 h PHE 132 Ca -0.01 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.76 1xn1 h PHE 132 Cb 1.06 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.62 1xn1 h PHE 132 CO 0.10 0.00 0.01 -0.22 -1.61 0.00 0.00 178.31 176.59 1xn1 h LYS 133 N 0.00 0.05 0.59 1.51 1.63 -1.59 0.33 116.57 119.09 1xn1 h LYS 133 Ca 0.04 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.80 1xn1 h LYS 133 Cb 0.36 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1xn1 h LYS 133 CO -0.00 0.22 -0.36 0.28 -3.45 0.00 0.00 179.45 176.13 1xn1 h VAL 134 N -0.13 0.26 -0.77 2.00 2.07 -0.35 -1.81 116.25 117.52 1xn1 h VAL 134 Ca 0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.63 1xn1 h VAL 134 Cb 0.19 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 1xn1 h VAL 134 CO -0.00 0.00 0.50 0.11 0.02 0.00 0.00 177.57 178.20 1xn1 h LYS 135 N -0.90 0.64 -0.88 1.57 1.79 -1.06 0.17 116.57 117.91 1xn1 h LYS 135 Ca -0.07 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 1xn1 h LYS 135 Cb 0.73 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 31.20 1xn1 h LYS 135 CO 0.07 0.42 0.52 0.78 -1.08 0.00 0.00 179.45 180.16 1xn1 h GLY 136 N 0.66 1.28 0.96 3.86 0.00 0.10 0.23 103.07 110.15 1xn1 h GLY 136 Ca 0.36 -0.54 -0.14 0.00 0.00 0.00 0.00 47.33 47.01 1xn1 h GLY 136 CO -0.13 0.52 -0.42 -2.08 0.00 0.00 0.00 176.54 174.43 1xn1 h VAL 137 N 1.21 1.32 -0.37 4.60 2.07 -0.00 -2.37 116.25 122.71 1xn1 h VAL 137 Ca 0.31 -1.65 0.04 0.00 0.82 0.00 0.00 66.70 66.22 1xn1 h VAL 137 Cb -0.03 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 1xn1 h VAL 137 CO -0.06 0.51 0.13 -0.33 0.02 0.00 0.00 177.57 177.85 1xn1 h GLU 138 N 0.33 0.28 -0.55 1.57 5.08 -0.17 -0.11 114.58 121.01 1xn1 h GLU 138 Ca 0.00 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1xn1 h GLU 138 Cb 1.03 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 1xn1 h GLU 138 CO 0.09 0.18 0.36 0.00 -1.00 0.00 0.00 179.01 178.65 1xn1 h ALA 139 N 1.23 1.66 -0.03 3.43 0.00 -0.51 0.57 119.26 125.62 1xn1 h ALA 139 Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1xn1 h ALA 139 Cb 0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1xn1 h ALA 139 CO -0.17 0.30 -0.01 0.00 0.00 0.00 0.00 179.25 179.37 1xn1 h ALA 140 N 1.67 0.04 0.00 0.00 0.00 -0.70 0.36 119.26 120.62 1xn1 h ALA 140 Ca 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1xn1 h ALA 140 Cb -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1xn1 h ALA 140 CO -0.05 -0.24 -0.09 0.45 0.00 0.00 0.00 179.25 179.31 1xn1 h HIS 141 N -0.34 0.00 0.01 0.00 -0.00 -0.59 -1.23 115.15 113.00 1xn1 h HIS 141 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1xn1 h HIS 141 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.84 1xn1 h HIS 141 CO 0.07 0.09 -0.01 0.00 -0.00 0.00 0.00 177.93 178.08 1xn1 h ALA 142 N 1.91 -0.02 -0.24 2.45 0.00 -0.65 -2.09 119.26 120.62 1xn1 h ALA 142 Ca -0.00 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 54.58 1xn1 h ALA 142 Cb 0.19 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1xn1 h ALA 142 CO 0.01 -0.07 -0.27 0.00 0.00 0.00 0.00 179.25 178.92 1xn1 h ALA 143 N -0.00 -0.19 -0.72 0.00 0.00 0.04 0.19 119.26 118.58 1xn1 h ALA 143 Ca -0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1xn1 h ALA 143 Cb 0.80 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1xn1 h ALA 143 CO 0.00 -0.71 0.29 1.25 0.00 0.00 0.00 179.25 180.09 1xn1 h LEU 144 N -0.28 0.97 -0.49 0.00 6.46 -1.34 -1.30 115.31 119.33 1xn1 h LEU 144 Ca 0.13 -0.14 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 1xn1 h LEU 144 Cb 0.49 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.15 1xn1 h LEU 144 CO -0.41 0.86 0.14 -0.61 -0.62 0.00 0.00 178.44 177.80 1xn1 h GLN 145 N 1.04 0.76 0.06 1.25 4.15 -0.50 -0.56 115.11 121.32 1xn1 h GLN 145 Ca 0.24 -0.17 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 1xn1 h GLN 145 Cb 0.19 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1xn1 h GLN 145 CO -0.02 0.73 -0.03 0.97 -1.93 0.00 0.00 178.83 178.54 1xn1 h ILE 146 N 0.66 1.23 -0.90 2.39 6.09 -0.41 0.11 117.51 126.68 1xn1 h ILE 146 Ca 0.16 -1.15 0.19 0.00 -1.37 0.00 0.00 64.86 62.68 1xn1 h ILE 146 Cb 0.29 1.97 -0.11 0.00 0.47 0.00 0.00 36.82 39.44 1xn1 h ILE 146 CO -0.00 0.28 0.46 0.58 -3.07 0.00 0.00 178.15 176.39 1xn1 h VAL 147 N -0.62 0.62 0.87 2.19 2.07 -1.23 0.36 116.25 120.51 1xn1 h VAL 147 Ca -0.01 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1xn1 h VAL 147 Cb 0.53 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1xn1 h VAL 147 CO 0.01 0.10 -0.42 -1.28 0.02 0.00 0.00 177.57 176.01 1xn1 h SER 148 N 0.55 -0.99 -0.54 0.57 0.87 -0.98 -0.85 113.55 112.19 1xn1 h SER 148 Ca 0.53 0.03 0.10 0.00 -1.23 0.00 0.00 61.79 61.22 1xn1 h SER 148 Cb 0.88 0.26 -0.11 0.00 -0.44 0.00 0.00 62.40 62.99 1xn1 h SER 148 CO -0.44 -0.64 -0.31 -0.08 -0.53 0.00 0.00 176.83 174.84 1xn1 h GLU 149 N -1.30 -0.16 -0.67 2.24 4.57 0.13 0.17 114.58 119.55 1xn1 h GLU 149 Ca -0.12 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.11 1xn1 h GLU 149 Cb 0.90 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.48 1xn1 h GLU 149 CO 0.20 -0.11 0.41 0.00 -1.18 0.00 0.00 179.01 178.33 1xn1 h ARG 150 N -0.16 0.77 -0.24 1.92 3.08 -0.37 0.73 114.38 120.11 1xn1 h ARG 150 Ca 0.23 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.30 1xn1 h ARG 150 Cb 0.54 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1xn1 h ARG 150 CO -0.64 0.51 0.31 0.66 -1.07 0.00 0.00 179.97 179.74 1xn1 h SER 151 N 0.80 0.00 0.88 7.04 4.64 0.79 0.11 113.55 127.80 1xn1 h SER 151 Ca 0.28 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.37 1xn1 h SER 151 Cb 0.05 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.11 1xn1 h SER 151 CO -0.12 0.00 -1.16 -0.09 -0.87 0.00 0.00 176.83 174.59 1xn1 h ARG 152 N 0.00 0.01 0.60 4.77 2.43 0.39 -3.39 114.38 119.19 1xn1 h ARG 152 Ca 0.12 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1xn1 h ARG 152 Cb 0.72 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1xn1 h ARG 152 CO -0.00 0.90 -0.29 0.82 -1.51 0.00 0.00 179.97 179.89 1xn1 h ILE 153 N 0.00 0.00 -2.04 1.20 2.04 -0.29 -3.40 117.51 115.02 1xn1 h ILE 153 Ca -0.07 -0.11 -0.53 0.00 1.00 0.00 0.00 64.86 65.14 1xn1 h ILE 153 Cb 1.83 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1xn1 h ILE 153 CO 0.12 0.00 1.46 0.00 0.00 0.00 0.00 178.15 179.73 1xn1 s ALA 154 N -4.72 2.34 -2.00 1.87 0.00 -1.22 -5.14 121.76 112.89 1xn1 s ALA 154 Ca -0.12 0.19 0.24 0.00 0.00 0.00 0.00 51.96 52.27 1xn1 s ALA 154 Cb 0.01 -4.18 1.41 0.00 0.00 0.00 0.00 23.12 20.36 1xn1 s ALA 154 CO 0.36 -3.44 1.78 0.00 0.00 0.00 0.00 175.76 174.45