#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsf h VAL 2 N 0.00 0.00 -1.99 2.41 3.04 -2.13 -3.42 116.25 114.16 1xsf h VAL 2 Ca 0.00 -0.29 -0.56 0.00 -1.01 0.00 0.00 66.70 64.84 1xsf h VAL 2 Cb 0.00 1.08 -0.00 0.00 -2.01 0.00 0.00 31.29 30.36 1xsf h VAL 2 CO 0.00 0.00 1.50 -0.69 -1.01 0.00 0.00 177.57 177.37 1xsf s VAL 3 N -3.44 3.07 0.31 1.51 1.01 -1.26 -4.93 120.40 116.66 1xsf s VAL 3 Ca 0.03 0.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.79 1xsf s VAL 3 Cb 0.09 -3.11 -0.09 0.00 0.00 0.00 0.00 36.38 33.27 1xsf s VAL 3 CO 0.42 -0.08 1.11 0.54 0.00 0.00 0.00 175.10 177.09 1xsf s VAL 4 N 9.04 3.46 -0.28 2.92 0.11 -1.26 -5.02 120.40 129.35 1xsf s VAL 4 Ca 0.97 1.40 -0.05 0.00 -2.93 0.00 0.00 61.98 61.37 1xsf s VAL 4 Cb -0.28 -3.87 0.02 0.00 -1.53 0.00 0.00 36.38 30.72 1xsf s VAL 4 CO 0.33 0.29 0.04 0.42 -3.33 0.00 0.00 175.10 172.84 1xsf s THR 5 N -1.24 3.62 0.62 5.04 -4.23 -1.26 -5.10 115.64 113.09 1xsf s THR 5 Ca 0.47 -0.83 -0.04 0.00 -1.18 0.00 0.00 61.69 60.12 1xsf s THR 5 Cb -0.31 -2.88 0.04 0.00 1.34 0.00 0.00 72.50 70.69 1xsf s THR 5 CO 0.40 0.09 0.90 -2.16 -0.54 0.00 0.00 174.62 173.31 1xsf s PRO 6 N 1.44 2.47 -1.02 3.99 0.05 -1.26 -4.99 135.00 135.68 1xsf s PRO 6 Ca 0.01 -0.40 -0.23 0.00 0.05 0.00 0.00 61.00 60.43 1xsf s PRO 6 Cb -0.17 -2.31 0.02 0.00 0.05 0.00 0.00 34.50 32.09 1xsf s PRO 6 CO 0.00 -0.92 1.63 0.00 0.05 0.00 0.00 177.00 177.76 1xsf s ALA 7 N -3.01 2.45 -0.91 8.56 0.00 -1.26 -4.66 121.76 122.94 1xsf s ALA 7 Ca 0.57 -2.12 0.27 0.00 0.00 0.00 0.00 51.96 50.68 1xsf s ALA 7 Cb -0.11 -4.55 0.91 0.00 0.00 0.00 0.00 23.12 19.37 1xsf s ALA 7 CO 0.42 -3.97 1.73 0.72 0.00 0.00 0.00 175.76 174.66 1xsf n HIS 8 N 10.42 0.25 -2.69 0.00 8.25 -1.26 -4.86 115.22 125.33 1xsf n HIS 8 Ca 0.37 0.07 -0.40 0.00 -0.26 0.00 0.00 57.72 57.50 1xsf n HIS 8 Cb 0.49 -0.56 -0.05 0.00 1.12 0.00 0.00 29.99 30.99 1xsf n HIS 8 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1xsf s GLU 9 N -3.04 4.79 -0.45 -0.41 -1.05 -1.26 -5.00 118.70 112.29 1xsf s GLU 9 Ca 0.12 1.55 0.06 0.00 -0.15 0.00 0.00 54.97 56.55 1xsf s GLU 9 Cb 0.17 -3.28 0.20 0.00 -0.44 0.00 0.00 34.13 30.78 1xsf s GLU 9 CO 0.60 0.41 0.55 0.00 0.95 0.00 0.00 175.26 177.76 1xsf n ALA 10 N 1.64 0.95 -0.17 -0.84 0.00 -1.26 -5.03 120.51 115.79 1xsf n ALA 10 Ca -0.01 -2.37 0.00 0.00 0.00 0.00 0.00 53.44 51.06 1xsf n ALA 10 Cb 0.47 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1xsf n ALA 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xsf n VAL 11 N 2.47 0.00 -1.98 0.00 0.31 -1.26 -4.92 118.33 112.96 1xsf n VAL 11 Ca 0.23 1.07 -0.11 0.00 -0.01 0.00 0.00 64.34 65.52 1xsf n VAL 11 Cb 0.53 -2.01 0.01 0.00 -0.91 0.00 0.00 33.84 31.46 1xsf n VAL 11 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1xsf n VAL 12 N -1.74 -1.06 -2.52 2.52 3.14 -1.26 -4.73 118.33 112.67 1xsf n VAL 12 Ca 0.00 0.01 -0.43 0.00 -2.96 0.00 0.00 64.34 60.97 1xsf n VAL 12 Cb 0.00 -0.96 -0.02 0.00 -1.06 0.00 0.00 33.84 31.80 1xsf n VAL 12 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1xsf s ARG 13 N -1.18 3.63 0.21 1.45 0.52 -1.26 -4.99 118.95 117.32 1xsf s ARG 13 Ca 0.09 0.60 -0.01 0.00 -0.52 0.00 0.00 55.73 55.88 1xsf s ARG 13 Cb -0.01 -3.97 -0.04 0.00 0.52 0.00 0.00 34.95 31.45 1xsf s ARG 13 CO 0.25 -1.51 0.41 0.08 0.02 0.00 0.00 175.30 174.55 1xsf s VAL 14 N 4.88 5.19 -0.09 3.52 1.01 -1.26 -5.05 120.40 128.60 1xsf s VAL 14 Ca 0.51 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 62.08 1xsf s VAL 14 Cb -0.09 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1xsf s VAL 14 CO 0.31 -0.18 -0.18 0.61 0.00 0.00 0.00 175.10 175.65 1xsf n GLY 15 N -0.67 -0.45 1.30 4.51 0.00 -1.26 -5.00 105.19 103.62 1xsf n GLY 15 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1xsf n GLY 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xsf n THR 16 N -3.62 0.00 -1.89 2.61 -1.04 -1.26 -5.06 114.28 104.02 1xsf n THR 16 Ca -0.07 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.51 1xsf n THR 16 Cb 0.27 -0.20 -0.03 0.00 -1.82 0.00 0.00 70.33 68.56 1xsf n THR 16 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1xsf s LYS 17 N -1.65 3.18 -0.47 -2.82 -0.14 -1.26 -4.90 119.74 111.68 1xsf s LYS 17 Ca 0.00 1.50 -0.28 0.00 -1.36 0.00 0.00 55.97 55.83 1xsf s LYS 17 Cb 0.00 -4.27 -0.01 0.00 -1.68 0.00 0.00 37.83 31.87 1xsf s LYS 17 CO 0.00 -2.05 1.64 -1.25 -0.76 0.00 0.00 175.35 172.94 1xsf s PRO 18 N 6.04 3.21 0.00 -1.68 0.04 -1.26 -2.32 135.00 139.03 1xsf s PRO 18 Ca 0.84 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1xsf s PRO 18 Cb -0.24 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.11 1xsf s PRO 18 CO 0.33 -2.02 0.00 0.41 0.04 0.00 0.00 177.00 175.75 1xsf n GLY 19 N 5.38 0.78 0.23 0.56 0.00 -1.26 -5.00 105.19 105.87 1xsf n GLY 19 Ca 0.18 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 1xsf n GLY 19 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xsf h THR 20 N 0.00 0.57 -2.46 2.61 2.02 -1.87 -3.40 112.91 110.38 1xsf h THR 20 Ca 0.00 0.00 -0.29 0.00 0.77 0.00 0.00 66.41 66.89 1xsf h THR 20 Cb 0.85 0.57 -0.35 0.00 -1.74 0.00 0.00 68.15 67.48 1xsf h THR 20 CO 0.00 0.00 -0.61 -1.61 0.37 0.00 0.00 175.52 173.67 1xsf s GLU 21 N -6.11 0.21 -0.31 6.66 2.02 -1.26 -5.12 118.70 114.79 1xsf s GLU 21 Ca -0.15 0.26 -0.06 0.00 0.02 0.00 0.00 54.97 55.04 1xsf s GLU 21 Cb 0.08 -1.08 0.02 0.00 0.10 0.00 0.00 34.13 33.25 1xsf s GLU 21 CO 0.66 -0.64 0.08 0.08 0.02 0.00 0.00 175.26 175.45 1xsf s VAL 22 N 2.36 3.81 0.13 2.63 1.01 -1.26 -5.08 120.40 124.00 1xsf s VAL 22 Ca 0.07 -0.89 -0.34 0.00 0.00 0.00 0.00 61.98 60.83 1xsf s VAL 22 Cb -0.16 -3.04 -0.13 0.00 0.00 0.00 0.00 36.38 33.05 1xsf s VAL 22 CO -0.12 -0.01 1.63 -2.65 0.00 0.00 0.00 175.10 173.94 1xsf n PRO 23 N 4.83 2.21 -1.70 2.72 -0.02 -1.26 -4.92 135.00 136.85 1xsf n PRO 23 Ca -0.14 0.80 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 1xsf n PRO 23 Cb 0.47 -2.59 -0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1xsf n PRO 23 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1xsf n PRO 24 N 3.91 2.12 -4.64 0.52 -0.04 -1.26 -5.00 135.00 130.61 1xsf n PRO 24 Ca 0.18 0.75 -0.33 0.00 -0.04 0.00 0.00 63.50 64.05 1xsf n PRO 24 Cb 0.29 -2.37 -0.15 0.00 -0.04 0.00 0.00 33.50 31.23 1xsf n PRO 24 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xsf s VAL 25 N -1.12 2.60 0.23 0.52 1.01 -1.26 -5.00 120.40 117.37 1xsf s VAL 25 Ca 0.57 -0.80 0.28 0.00 0.00 0.00 0.00 61.98 62.02 1xsf s VAL 25 Cb -0.55 -2.08 0.29 0.00 0.00 0.00 0.00 36.38 34.04 1xsf s VAL 25 CO 0.61 0.52 1.95 0.40 0.00 0.00 0.00 175.10 178.59 1xsf h ILE 26 N 5.65 0.42 -0.29 2.22 1.08 -2.05 -1.16 117.51 123.39 1xsf h ILE 26 Ca -0.30 -0.79 0.00 0.00 -0.39 0.00 0.00 64.86 63.37 1xsf h ILE 26 Cb 1.20 1.57 0.00 0.00 -3.07 0.00 0.00 36.82 36.51 1xsf h ILE 26 CO 0.56 0.14 0.00 0.47 -0.69 0.00 0.00 178.15 178.63 1xsf n ASP 27 N -3.38 2.13 0.02 1.72 8.00 -1.26 -3.54 116.55 120.23 1xsf n ASP 27 Ca -0.00 -1.85 0.04 0.00 0.71 0.00 0.00 54.79 53.68 1xsf n ASP 27 Cb 0.34 -0.19 0.18 0.00 -0.02 0.00 0.00 41.12 41.43 1xsf n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xsf n GLY 28 N 1.20 -0.75 0.17 0.44 0.00 -0.44 -0.75 105.19 105.05 1xsf n GLY 28 Ca 0.16 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 1xsf n GLY 28 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xsf h SER 29 N 0.00 0.68 -0.09 1.61 0.02 -1.78 0.17 113.55 114.16 1xsf h SER 29 Ca 0.00 -0.56 -0.13 0.00 -0.84 0.00 0.00 61.79 60.26 1xsf h SER 29 Cb 0.11 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1xsf h SER 29 CO 0.00 1.37 -0.38 0.40 -1.14 0.00 0.00 176.83 177.08 1xsf h ILE 30 N 0.28 1.29 -0.21 3.27 2.04 -1.13 0.11 117.51 123.16 1xsf h ILE 30 Ca -0.11 -1.53 -0.15 0.00 1.00 0.00 0.00 64.86 64.07 1xsf h ILE 30 Cb 1.67 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 39.24 1xsf h ILE 30 CO 0.19 0.49 -0.49 -0.50 0.00 0.00 0.00 178.15 177.83 1xsf h TRP 31 N 0.51 0.71 0.03 1.37 -0.00 -1.23 0.26 115.95 117.59 1xsf h TRP 31 Ca 0.05 -0.23 -0.25 0.00 -0.00 0.00 0.00 58.89 58.45 1xsf h TRP 31 Cb 0.88 -0.14 0.01 0.00 -0.00 0.00 0.00 29.16 29.91 1xsf h TRP 31 CO 0.04 0.96 -1.04 0.22 -0.00 0.00 0.00 178.44 178.61 1xsf h ASP 32 N 0.46 0.70 0.13 -3.49 3.58 -0.46 -1.42 116.42 115.91 1xsf h ASP 32 Ca 0.02 -0.58 -0.12 0.00 0.42 0.00 0.00 57.03 56.77 1xsf h ASP 32 Cb 1.02 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 1xsf h ASP 32 CO 0.09 1.39 -0.43 0.00 -2.88 0.00 0.00 179.24 177.41 1xsf h ALA 33 N 0.56 0.96 -0.19 -0.78 0.00 -0.67 0.31 119.26 119.45 1xsf h ALA 33 Ca -0.12 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1xsf h ALA 33 Cb 1.69 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1xsf h ALA 33 CO 0.19 0.63 0.05 0.82 0.00 0.00 0.00 179.25 180.94 1xsf h ILE 34 N 0.31 1.20 -0.99 0.00 2.04 -0.93 -1.44 117.51 117.69 1xsf h ILE 34 Ca 0.02 -0.62 0.05 0.00 1.00 0.00 0.00 64.86 65.32 1xsf h ILE 34 Cb 0.89 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 38.16 1xsf h ILE 34 CO 0.07 0.19 0.65 0.00 0.00 0.00 0.00 178.15 179.06 1xsf h ALA 35 N 0.87 1.39 0.00 1.87 0.00 -0.90 0.18 119.26 122.67 1xsf h ALA 35 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xsf h ALA 35 Cb 0.25 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1xsf h ALA 35 CO -0.00 0.48 0.00 0.78 0.00 0.00 0.00 179.25 180.51 1xsf h GLY 36 N 1.20 0.00 0.00 0.00 0.00 -0.18 0.29 103.07 104.38 1xsf h GLY 36 Ca 0.41 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.57 1xsf h GLY 36 CO -0.15 0.00 -1.14 0.00 0.00 0.00 0.00 176.54 175.25 1xsf h GLU 38 N -1.00 0.11 0.00 0.00 4.57 -0.79 -3.34 114.58 114.13 1xsf h GLU 38 Ca -0.27 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1xsf h GLU 38 Cb 1.10 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1xsf h GLU 38 CO -0.16 0.85 -0.79 0.00 -1.18 0.00 0.00 179.01 177.72 1xsf n ALA 39 N -2.63 3.92 -1.02 2.92 0.00 -0.23 -4.94 120.51 118.53 1xsf n ALA 39 Ca -0.17 -0.43 -0.01 0.00 0.00 0.00 0.00 53.44 52.83 1xsf n ALA 39 Cb 1.03 -0.56 -0.00 0.00 0.00 0.00 0.00 19.45 19.93 1xsf n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xsf n GLY 40 N 1.38 0.47 1.63 0.00 0.00 -0.69 -3.74 105.19 104.23 1xsf n GLY 40 Ca 0.03 -0.49 -0.01 0.00 0.00 0.00 0.00 46.02 45.55 1xsf n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsf n GLY 41 N -2.82 0.39 2.71 -0.02 0.00 0.87 -4.79 105.19 101.53 1xsf n GLY 41 Ca -0.01 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 1xsf n GLY 41 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xsf s ASN 42 N -2.72 1.89 0.00 1.61 3.04 -1.25 -4.93 114.94 112.59 1xsf s ASN 42 Ca 0.02 -1.14 0.29 0.00 0.04 0.00 0.00 52.86 52.07 1xsf s ASN 42 Cb -0.00 0.34 1.34 0.00 -1.54 0.00 0.00 41.25 41.39 1xsf s ASN 42 CO 0.06 -0.36 1.93 0.79 -3.04 0.00 0.00 177.10 176.47 1xsf n TRP 43 N 4.94 0.00 -0.57 0.43 7.02 -1.26 -0.56 117.44 127.43 1xsf n TRP 43 Ca 0.02 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.57 1xsf n TRP 43 Cb 0.45 -0.17 0.23 0.00 -2.42 0.00 0.00 31.31 29.40 1xsf n TRP 43 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1xsf n ALA 44 N -0.95 2.64 -1.83 6.99 0.00 -1.26 -3.75 120.51 122.35 1xsf n ALA 44 Ca 0.16 -1.67 -0.40 0.00 0.00 0.00 0.00 53.44 51.52 1xsf n ALA 44 Cb 0.26 -0.63 -0.05 0.00 0.00 0.00 0.00 19.45 19.02 1xsf n ALA 44 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1xsf s ILE 45 N -1.85 3.93 -0.41 0.00 2.07 -1.08 -4.86 121.20 119.00 1xsf s ILE 45 Ca 0.35 1.88 0.05 0.00 -1.41 0.00 0.00 60.65 61.52 1xsf s ILE 45 Cb 0.24 -4.20 0.20 0.00 0.13 0.00 0.00 42.46 38.83 1xsf s ILE 45 CO 0.14 0.42 0.40 -3.20 -1.91 0.00 0.00 174.94 170.80 1xsf n ASN 46 N 1.62 -0.25 0.16 4.50 2.85 -1.26 -0.81 115.26 122.07 1xsf n ASN 46 Ca -0.01 -2.49 0.14 0.00 -0.11 0.00 0.00 54.58 52.12 1xsf n ASN 46 Cb 0.47 -0.58 0.70 0.00 1.24 0.00 0.00 39.78 41.60 1xsf n ASN 46 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1xsf h THR 47 N 3.73 0.81 0.00 -0.44 1.35 -1.95 -3.45 112.91 112.96 1xsf h THR 47 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 1xsf h THR 47 Cb 0.90 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1xsf h THR 47 CO 0.40 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.28 1xsf n GLY 48 N -1.55 1.10 0.98 5.82 0.00 -1.26 -4.97 105.19 105.31 1xsf n GLY 48 Ca 0.02 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 45.94 1xsf n GLY 48 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xsf n ASN 49 N 0.39 3.14 0.00 1.61 6.94 -1.26 -4.92 115.26 121.16 1xsf n ASN 49 Ca 0.00 -1.92 0.00 0.00 -0.02 0.00 0.00 54.58 52.64 1xsf n ASN 49 Cb 0.03 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.27 1xsf n ASN 49 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xsf n GLY 50 N 1.26 0.75 3.44 4.83 0.00 -1.26 -5.03 105.19 109.18 1xsf n GLY 50 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1xsf n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xsf s TYR 51 N -2.31 2.85 0.44 1.61 2.02 -1.26 -0.68 117.35 120.02 1xsf s TYR 51 Ca 0.00 -0.41 0.08 0.00 -0.37 0.00 0.00 57.07 56.37 1xsf s TYR 51 Cb 0.00 -1.81 0.00 0.00 -0.40 0.00 0.00 41.96 39.75 1xsf s TYR 51 CO 0.00 -0.04 0.47 0.71 -1.57 0.00 0.00 175.55 175.12 1xsf s TYR 52 N 0.02 2.55 0.78 2.71 2.02 -0.89 -4.54 117.35 120.00 1xsf s TYR 52 Ca -0.03 -0.51 -0.16 0.00 -0.37 0.00 0.00 57.07 56.00 1xsf s TYR 52 Cb -0.14 -2.21 -0.05 0.00 -0.40 0.00 0.00 41.96 39.15 1xsf s TYR 52 CO 0.04 -0.32 0.23 0.41 -1.57 0.00 0.00 175.55 174.35 1xsf n GLY 53 N -1.70 -2.28 2.05 0.71 0.00 0.01 -2.35 105.19 101.63 1xsf n GLY 53 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1xsf n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsf n GLY 54 N 1.99 1.18 0.17 -0.02 0.00 0.27 -3.91 105.19 104.88 1xsf n GLY 54 Ca 0.07 -0.69 0.15 0.00 0.00 0.00 0.00 46.02 45.55 1xsf n GLY 54 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xsf n VAL 55 N 0.00 0.00 -3.46 1.61 0.24 -1.26 -4.05 118.33 111.41 1xsf n VAL 55 Ca 0.00 -0.09 -0.18 0.00 -2.04 0.00 0.00 64.34 62.03 1xsf n VAL 55 Cb 0.00 -0.09 0.08 0.00 -1.47 0.00 0.00 33.84 32.37 1xsf n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xsf n GLN 56 N -0.65 -6.24 -4.38 7.34 1.13 -0.99 -4.89 117.38 108.70 1xsf n GLN 56 Ca 0.20 0.82 -0.23 0.00 -1.94 0.00 0.00 57.00 55.84 1xsf n GLN 56 Cb 0.23 -5.78 -0.08 0.00 0.11 0.00 0.00 30.24 24.72 1xsf n GLN 56 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1xsf s PHE 57 N -3.40 2.51 0.77 1.08 -0.71 -1.25 -4.67 117.98 112.31 1xsf s PHE 57 Ca 0.02 -0.27 -0.11 0.00 -1.04 0.00 0.00 56.93 55.53 1xsf s PHE 57 Cb -0.00 -1.11 0.06 0.00 -1.21 0.00 0.00 43.02 40.76 1xsf s PHE 57 CO 0.74 0.66 1.08 0.16 -1.34 0.00 0.00 175.22 176.53 1xsf s ASP 58 N -3.60 4.57 0.28 1.98 -4.77 -1.26 -2.08 116.67 111.78 1xsf s ASP 58 Ca 0.31 1.72 0.00 0.00 -3.30 0.00 0.00 52.55 51.28 1xsf s ASP 58 Cb -0.06 -2.45 0.52 0.00 -1.09 0.00 0.00 42.92 39.83 1xsf s ASP 58 CO 0.18 -1.98 1.85 -0.61 0.70 0.00 0.00 175.17 175.31 1xsf h GLN 59 N -1.09 1.02 -0.07 2.11 5.75 -1.29 0.11 115.11 121.65 1xsf h GLN 59 Ca -0.44 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 57.98 1xsf h GLN 59 Cb 1.23 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 29.55 1xsf h GLN 59 CO 0.53 0.67 -0.02 0.78 -2.65 0.00 0.00 178.83 178.14 1xsf h GLY 60 N 1.05 0.15 1.06 2.39 0.00 -1.92 0.31 103.07 106.12 1xsf h GLY 60 Ca 0.48 -0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.59 1xsf h GLY 60 CO -0.24 0.12 -0.02 -0.84 0.00 0.00 0.00 176.54 175.56 1xsf h THR 61 N -0.21 1.27 -0.26 4.70 2.02 -1.89 0.38 112.91 118.92 1xsf h THR 61 Ca 0.02 -1.16 0.04 0.00 0.77 0.00 0.00 66.41 66.08 1xsf h THR 61 Cb 0.43 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 1xsf h THR 61 CO 0.01 0.41 0.03 -0.25 0.37 0.00 0.00 175.52 176.09 1xsf h TRP 62 N 0.90 0.04 -0.25 3.16 2.91 -0.66 -1.44 115.95 120.61 1xsf h TRP 62 Ca 0.16 0.02 -0.09 0.00 1.13 0.00 0.00 58.89 60.11 1xsf h TRP 62 Cb 0.57 0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.23 1xsf h TRP 62 CO 0.04 -0.01 -0.22 1.49 -1.03 0.00 0.00 178.44 178.71 1xsf h GLU 63 N 0.11 0.46 -0.62 2.65 4.81 -0.10 0.46 114.58 122.36 1xsf h GLU 63 Ca 0.12 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1xsf h GLU 63 Cb 0.14 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1xsf h GLU 63 CO -0.18 0.66 0.20 0.00 -0.73 0.00 0.00 179.01 178.95 1xsf h ALA 64 N 1.35 0.81 -0.00 2.92 0.00 0.54 -0.07 119.26 124.81 1xsf h ALA 64 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xsf h ALA 64 Cb 0.62 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xsf h ALA 64 CO 0.04 0.47 -0.06 0.09 0.00 0.00 0.00 179.25 179.80 1xsf n ASN 65 N -4.39 0.11 -0.77 0.00 3.02 -0.62 -4.93 115.26 107.69 1xsf n ASN 65 Ca 0.04 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1xsf n ASN 65 Cb 0.21 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1xsf n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xsf n GLY 66 N 1.40 0.54 0.13 7.41 0.00 -0.04 -4.91 105.19 109.71 1xsf n GLY 66 Ca 0.10 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.82 1xsf n GLY 66 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xsf h GLY 67 N 0.00 0.00 2.00 -0.02 0.00 -0.30 -3.30 103.07 101.45 1xsf h GLY 67 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1xsf h GLY 67 CO 0.00 0.00 -0.08 1.41 0.00 0.00 0.00 176.54 177.87 1xsf h LEU 68 N 0.00 0.00 -1.29 3.11 3.38 -1.76 0.14 115.31 118.89 1xsf h LEU 68 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1xsf h LEU 68 Cb 0.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1xsf h LEU 68 CO 0.00 0.08 -0.34 0.08 0.09 0.00 0.00 178.44 178.35 1xsf h ARG 69 N 0.00 0.00 0.11 1.13 0.11 -1.97 -1.65 114.38 112.11 1xsf h ARG 69 Ca -0.00 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.80 1xsf h ARG 69 Cb 0.14 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.22 1xsf h ARG 69 CO 0.01 0.34 -1.32 1.88 0.10 0.00 0.00 179.97 180.98 1xsf h TYR 70 N 0.00 0.43 0.00 4.08 0.05 -1.07 -3.42 116.97 117.05 1xsf h TYR 70 Ca -0.00 -0.32 0.00 0.00 0.05 0.00 0.00 58.73 58.46 1xsf h TYR 70 Cb 0.66 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.39 1xsf h TYR 70 CO 0.00 1.28 0.00 0.00 -1.05 0.00 0.00 178.16 178.39 1xsf n ALA 71 N -2.56 0.00 0.00 3.88 0.00 0.05 -4.60 120.51 117.28 1xsf n ALA 71 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1xsf n ALA 71 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.47 1xsf n ALA 71 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1xsf n PRO 72 N 0.00 0.00 -3.77 0.00 -0.02 -0.92 -3.47 135.00 126.82 1xsf n PRO 72 Ca 0.00 0.20 -0.13 0.00 -2.02 0.00 0.00 63.50 61.56 1xsf n PRO 72 Cb 0.00 -1.59 -0.11 0.00 -0.02 0.00 0.00 33.50 31.78 1xsf n PRO 72 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1xsf s ARG 73 N -2.28 0.38 0.55 -0.52 1.70 -1.26 -4.79 118.95 112.73 1xsf s ARG 73 Ca 0.00 0.35 0.24 0.00 -0.47 0.00 0.00 55.73 55.85 1xsf s ARG 73 Cb 0.00 0.18 1.56 0.00 -0.57 0.00 0.00 34.95 36.12 1xsf s ARG 73 CO 0.00 -0.05 2.19 0.00 -1.08 0.00 0.00 175.30 176.35 1xsf h ALA 74 N 5.50 1.66 -0.00 7.88 0.00 -1.87 -0.83 119.26 131.61 1xsf h ALA 74 Ca -0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xsf h ALA 74 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xsf h ALA 74 CO 0.33 0.03 -0.00 -0.40 0.00 0.00 0.00 179.25 179.21 1xsf n ASP 75 N -4.07 0.01 -0.09 0.00 5.68 -1.25 -2.58 116.55 114.25 1xsf n ASP 75 Ca -0.03 -0.11 -0.12 0.00 -0.50 0.00 0.00 54.79 54.03 1xsf n ASP 75 Cb 0.11 -0.29 -0.15 0.00 -1.14 0.00 0.00 41.12 39.65 1xsf n ASP 75 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1xsf n LEU 76 N -1.29 0.93 -4.88 -2.12 7.94 -0.35 -4.57 117.00 112.66 1xsf n LEU 76 Ca 0.14 0.05 -0.30 0.00 -1.11 0.00 0.00 56.01 54.79 1xsf n LEU 76 Cb 0.25 0.05 0.05 0.00 0.53 0.00 0.00 43.42 44.30 1xsf n LEU 76 CO 0.23 0.60 0.75 0.00 -1.11 0.00 0.00 177.39 177.86 1xsf s ALA 77 N -2.52 2.87 0.23 1.96 0.00 -0.97 -4.96 121.76 118.36 1xsf s ALA 77 Ca -0.15 -0.32 0.04 0.00 0.00 0.00 0.00 51.96 51.52 1xsf s ALA 77 Cb 0.07 -3.03 0.04 0.00 0.00 0.00 0.00 23.12 20.19 1xsf s ALA 77 CO 0.78 -1.15 0.30 0.25 0.00 0.00 0.00 175.76 175.94 1xsf n THR 78 N -3.02 0.00 -0.09 0.00 -2.24 -1.26 -4.88 114.28 102.79 1xsf n THR 78 Ca 0.07 -0.79 -0.07 0.00 -2.27 0.00 0.00 64.05 60.99 1xsf n THR 78 Cb 0.57 -0.75 -0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1xsf n THR 78 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1xsf h ARG 79 N 0.00 -0.18 0.00 -0.78 3.08 -1.95 -1.13 114.38 113.42 1xsf h ARG 79 Ca -0.11 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 1xsf h ARG 79 Cb 0.50 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1xsf h ARG 79 CO 0.16 -0.12 -0.23 1.05 -1.07 0.00 0.00 179.97 179.76 1xsf h GLU 80 N -0.18 0.00 -0.07 0.04 4.11 -1.98 0.13 114.58 116.63 1xsf h GLU 80 Ca 0.17 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.52 1xsf h GLU 80 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1xsf h GLU 80 CO -0.45 0.23 -0.27 0.93 0.07 0.00 0.00 179.01 179.52 1xsf h GLU 81 N 0.00 0.31 -0.53 1.06 3.07 -1.68 0.02 114.58 116.83 1xsf h GLU 81 Ca -0.00 -0.24 0.03 0.00 -0.50 0.00 0.00 59.36 58.65 1xsf h GLU 81 Cb 0.48 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.40 1xsf h GLU 81 CO 0.03 0.87 0.35 1.96 -1.40 0.00 0.00 179.01 180.82 1xsf h GLN 82 N -0.18 0.60 -0.12 2.33 7.50 -0.70 0.38 115.11 124.91 1xsf h GLN 82 Ca -0.01 -0.04 -0.00 0.00 0.50 0.00 0.00 58.65 59.10 1xsf h GLN 82 Cb 0.90 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 28.29 1xsf h GLN 82 CO 0.06 0.39 0.08 0.82 -1.50 0.00 0.00 178.83 178.68 1xsf h ILE 83 N 0.61 1.05 -0.37 2.54 2.04 -0.66 -0.90 117.51 121.83 1xsf h ILE 83 Ca 0.21 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 1xsf h ILE 83 Cb 0.09 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1xsf h ILE 83 CO -0.05 0.05 0.13 0.00 0.00 0.00 0.00 178.15 178.27 1xsf h ALA 84 N 1.01 0.48 -0.11 1.87 0.00 0.10 0.57 119.26 123.18 1xsf h ALA 84 Ca 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1xsf h ALA 84 Cb 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xsf h ALA 84 CO -0.01 0.10 -0.01 0.28 0.00 0.00 0.00 179.25 179.62 1xsf h VAL 85 N 0.45 1.26 0.00 0.00 2.07 -1.14 -2.11 116.25 116.78 1xsf h VAL 85 Ca 0.12 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1xsf h VAL 85 Cb 0.22 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1xsf h VAL 85 CO -0.01 0.24 -0.06 0.00 0.02 0.00 0.00 177.57 177.77 1xsf h ALA 86 N 0.73 1.71 -0.68 1.67 0.00 -1.02 -2.45 119.26 119.22 1xsf h ALA 86 Ca 0.03 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1xsf h ALA 86 Cb 0.38 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1xsf h ALA 86 CO 0.01 0.07 0.44 0.93 0.00 0.00 0.00 179.25 180.70 1xsf h GLU 87 N 0.00 0.84 -0.49 0.00 4.39 0.84 0.73 114.58 120.90 1xsf h GLU 87 Ca -0.00 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 1xsf h GLU 87 Cb 0.12 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1xsf h GLU 87 CO 0.01 0.56 0.07 0.28 -1.16 0.00 0.00 179.01 178.77 1xsf h VAL 88 N 0.87 1.25 -0.18 3.13 2.07 -1.23 -1.91 116.25 120.25 1xsf h VAL 88 Ca 0.27 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1xsf h VAL 88 Cb -0.02 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1xsf h VAL 88 CO -0.09 0.33 -0.02 0.74 0.02 0.00 0.00 177.57 178.55 1xsf h THR 89 N 0.68 1.27 -0.07 2.57 2.02 -1.11 -2.67 112.91 115.59 1xsf h THR 89 Ca 0.15 -0.93 -0.07 0.00 0.77 0.00 0.00 66.41 66.32 1xsf h THR 89 Cb 0.40 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1xsf h THR 89 CO 0.01 0.28 -0.27 0.08 0.37 0.00 0.00 175.52 175.99 1xsf h ARG 90 N 0.06 0.13 -0.05 6.66 0.11 0.40 -2.59 114.38 119.11 1xsf h ARG 90 Ca 0.05 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.07 1xsf h ARG 90 Cb 0.43 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.50 1xsf h ARG 90 CO 0.01 0.39 -0.06 1.25 0.10 0.00 0.00 179.97 181.66 1xsf h LEU 91 N 0.12 0.06 0.05 0.08 5.85 -0.99 0.85 115.31 121.33 1xsf h LEU 91 Ca 0.02 -0.01 -0.30 0.00 0.84 0.00 0.00 57.88 58.43 1xsf h LEU 91 Cb 0.54 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1xsf h LEU 91 CO 0.04 0.13 -1.64 0.54 -0.34 0.00 0.00 178.44 177.17 1xsf n ARG 92 N -4.42 0.65 -0.06 1.25 1.74 -1.01 -4.63 116.66 110.18 1xsf n ARG 92 Ca -0.02 0.43 -0.03 0.00 -0.77 0.00 0.00 57.85 57.45 1xsf n ARG 92 Cb 0.17 -1.72 -0.13 0.00 -1.02 0.00 0.00 32.46 29.76 1xsf n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xsf n GLN 93 N -4.02 1.13 0.00 5.56 10.64 -1.01 -5.07 117.38 124.62 1xsf n GLN 93 Ca -0.33 -0.05 0.00 0.00 -1.83 0.00 0.00 57.00 54.79 1xsf n GLN 93 Cb 0.85 -1.42 0.00 0.00 -0.86 0.00 0.00 30.24 28.81 1xsf n GLN 93 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1xsf n GLY 94 N 1.87 1.08 0.62 2.61 0.00 0.29 -3.94 105.19 107.72 1xsf n GLY 94 Ca -0.20 -0.94 0.01 0.00 0.00 0.00 0.00 46.02 44.89 1xsf n GLY 94 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xsf n TRP 95 N 0.00 0.00 -0.15 1.61 7.02 -1.26 -4.26 117.44 120.40 1xsf n TRP 95 Ca 0.00 -0.15 0.10 0.00 -1.02 0.00 0.00 57.50 56.43 1xsf n TRP 95 Cb 0.00 -0.07 0.43 0.00 -2.42 0.00 0.00 31.31 29.25 1xsf n TRP 95 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1xsf h GLY 96 N 0.16 0.81 2.00 6.99 0.00 -1.94 0.22 103.07 111.31 1xsf h GLY 96 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1xsf h GLY 96 CO 0.01 0.14 0.00 0.00 0.00 0.00 0.00 176.54 176.69 1xsf h ALA 97 N 1.65 1.00 -2.76 3.60 0.00 -1.89 -3.41 119.26 117.44 1xsf h ALA 97 Ca 0.32 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.52 1xsf h ALA 97 Cb 0.50 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.03 1xsf h ALA 97 CO -0.11 0.00 -0.48 -1.58 0.00 0.00 0.00 179.25 177.08 1xsf s TRP 98 N -3.13 3.28 0.00 0.00 0.51 0.77 -5.08 118.94 115.29 1xsf s TRP 98 Ca 0.10 -1.17 0.00 0.00 -2.12 0.00 0.00 56.10 52.91 1xsf s TRP 98 Cb 0.11 -2.68 0.00 0.00 -0.81 0.00 0.00 33.47 30.09 1xsf s TRP 98 CO 0.59 -0.74 0.00 -2.30 -0.51 0.00 0.00 176.95 173.99 1xsf n PRO 99 N 4.99 3.04 0.17 4.98 -0.02 -1.26 -4.03 135.00 142.87 1xsf n PRO 99 Ca -0.11 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.55 1xsf n PRO 99 Cb 0.45 0.00 0.80 0.00 -0.02 0.00 0.00 33.50 34.73 1xsf n PRO 99 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1xsf h VAL 100 N 0.00 0.46 -0.87 -1.45 2.07 -1.98 0.11 116.25 114.59 1xsf h VAL 100 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1xsf h VAL 100 Cb 0.00 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1xsf h VAL 100 CO 0.00 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.16 1xsf h ALA 102 N 1.44 0.46 -0.53 0.00 0.00 -0.93 -0.77 119.26 118.93 1xsf h ALA 102 Ca 0.32 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1xsf h ALA 102 Cb -0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1xsf h ALA 102 CO -0.07 0.57 0.34 0.00 0.00 0.00 0.00 179.25 180.10 1xsf h ALA 103 N 0.70 0.68 -0.60 0.00 0.00 -1.30 0.30 119.26 119.04 1xsf h ALA 103 Ca 0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1xsf h ALA 103 Cb 1.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1xsf h ALA 103 CO 0.10 0.09 0.24 0.00 0.00 0.00 0.00 179.25 179.68 1xsf h ARG 104 N 0.70 0.86 0.00 0.00 -0.00 -0.77 -2.77 114.38 112.40 1xsf h ARG 104 Ca 0.20 -0.13 -0.05 0.00 -0.50 0.00 0.00 59.98 59.50 1xsf h ARG 104 Cb -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 29.97 29.76 1xsf h ARG 104 CO -0.06 0.71 -0.23 0.00 0.00 0.00 0.00 179.97 180.39 1xsf h ALA 105 N 1.41 0.87 0.00 0.04 0.00 -0.15 -3.47 119.26 117.96 1xsf h ALA 105 Ca 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xsf h ALA 105 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xsf h ALA 105 CO -0.02 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.93 1xsf n GLY 106 N 1.02 0.54 3.78 0.00 0.00 0.86 -4.29 105.19 107.10 1xsf n GLY 106 Ca 0.03 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 1xsf n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsf s ALA 107 N -0.54 3.49 0.00 4.61 0.00 -0.02 -4.95 121.76 124.35 1xsf s ALA 107 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1xsf s ALA 107 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1xsf s ALA 107 CO 0.00 -1.02 0.00 2.89 0.00 0.00 0.00 175.76 177.63