#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 1.40 -1.73 2.41 2.07 -2.13 -3.39 116.25 114.89 1xsf h VAL 2 Ca 0.00 -2.12 -0.53 0.00 0.82 0.00 0.00 66.70 64.86 1xsf h VAL 2 Cb 0.00 2.57 -0.08 0.00 -1.52 0.00 0.00 31.29 32.27 1xsf h VAL 2 CO 0.00 0.63 1.22 -0.69 0.02 0.00 0.00 177.57 178.74 1xsf s VAL 3 N -3.21 3.72 0.37 2.57 1.01 -1.26 -4.99 120.40 118.62 1xsf s VAL 3 Ca -0.13 -0.09 -0.25 0.00 0.00 0.00 0.00 61.98 61.51 1xsf s VAL 3 Cb 0.04 -4.76 -0.09 0.00 0.00 0.00 0.00 36.38 31.57 1xsf s VAL 3 CO 0.84 -1.68 1.05 -0.69 0.00 0.00 0.00 175.10 174.61 1xsf s VAL 4 N 6.30 3.73 -0.41 2.92 1.01 -1.26 -5.01 120.40 127.68 1xsf s VAL 4 Ca 0.46 1.41 -0.12 0.00 0.00 0.00 0.00 61.98 63.73 1xsf s VAL 4 Cb -0.06 -3.77 0.05 0.00 0.00 0.00 0.00 36.38 32.60 1xsf s VAL 4 CO 0.06 0.09 0.26 0.42 0.00 0.00 0.00 175.10 175.93 1xsf s THR 5 N -1.56 4.65 0.69 3.92 -4.23 -1.26 -5.08 115.64 112.78 1xsf s THR 5 Ca 0.54 -1.04 -0.06 0.00 -1.18 0.00 0.00 61.69 59.96 1xsf s THR 5 Cb -0.24 -3.70 0.06 0.00 1.34 0.00 0.00 72.50 69.97 1xsf s THR 5 CO 0.30 -0.38 1.00 -2.16 -0.54 0.00 0.00 174.62 172.83 1xsf s PRO 6 N 1.54 2.21 -1.22 3.99 0.05 -1.26 -4.98 135.00 135.33 1xsf s PRO 6 Ca 0.03 -0.31 -0.18 0.00 0.05 0.00 0.00 61.00 60.59 1xsf s PRO 6 Cb -0.21 -2.20 0.09 0.00 0.05 0.00 0.00 34.50 32.24 1xsf s PRO 6 CO 0.06 -1.21 1.60 0.00 0.05 0.00 0.00 177.00 177.50 1xsf s ALA 7 N -3.21 3.39 -0.29 8.56 0.00 -1.26 -4.61 121.76 124.35 1xsf s ALA 7 Ca 0.60 -2.92 0.28 0.00 0.00 0.00 0.00 51.96 49.91 1xsf s ALA 7 Cb -0.11 -4.48 0.89 0.00 0.00 0.00 0.00 23.12 19.42 1xsf s ALA 7 CO 0.44 -3.21 1.79 0.45 0.00 0.00 0.00 175.76 175.23 1xsf h HIS 8 N 7.85 0.00 -3.50 0.00 3.86 -2.03 -3.42 115.15 117.92 1xsf h HIS 8 Ca 0.37 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.91 1xsf h HIS 8 Cb 0.90 0.00 -0.27 0.00 1.06 0.00 0.00 27.41 29.10 1xsf h HIS 8 CO 1.32 0.00 -0.79 -1.83 0.86 0.00 0.00 177.93 177.49 1xsf s GLU 9 N -3.38 3.14 -0.44 2.45 -1.05 -1.26 -5.05 118.70 113.11 1xsf s GLU 9 Ca 0.05 -0.72 0.07 0.00 -0.15 0.00 0.00 54.97 54.21 1xsf s GLU 9 Cb 0.08 -2.52 0.22 0.00 -0.44 0.00 0.00 34.13 31.47 1xsf s GLU 9 CO 0.57 0.30 0.60 0.00 0.95 0.00 0.00 175.26 177.67 1xsf n ALA 10 N 3.26 1.04 0.04 -0.84 0.00 -1.26 -4.99 120.51 117.77 1xsf n ALA 10 Ca -0.18 -2.55 -0.08 0.00 0.00 0.00 0.00 53.44 50.63 1xsf n ALA 10 Cb 0.53 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.91 1xsf n ALA 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xsf h VAL 11 N 3.21 0.58 -1.94 0.00 2.07 -2.00 -3.48 116.25 114.70 1xsf h VAL 11 Ca 0.06 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1xsf h VAL 11 Cb 0.95 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1xsf h VAL 11 CO 0.35 0.17 -0.09 0.52 0.02 0.00 0.00 177.57 178.54 1xsf n VAL 12 N -4.90 -0.23 -2.13 2.57 0.31 -1.26 -4.73 118.33 107.96 1xsf n VAL 12 Ca -0.06 0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 63.86 1xsf n VAL 12 Cb 0.22 -0.25 -0.02 0.00 -0.91 0.00 0.00 33.84 32.87 1xsf n VAL 12 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xsf s ARG 13 N -0.14 3.61 0.80 5.55 1.70 -1.26 -4.97 118.95 124.24 1xsf s ARG 13 Ca 0.02 1.45 -0.11 0.00 -0.47 0.00 0.00 55.73 56.61 1xsf s ARG 13 Cb -0.00 -4.08 0.07 0.00 -0.57 0.00 0.00 34.95 30.37 1xsf s ARG 13 CO 0.04 -1.52 1.09 0.54 -1.08 0.00 0.00 175.30 174.37 1xsf s VAL 14 N 5.75 3.18 0.00 4.99 0.11 -1.26 -4.93 120.40 128.23 1xsf s VAL 14 Ca 0.72 0.38 0.00 0.00 -2.93 0.00 0.00 61.98 60.15 1xsf s VAL 14 Cb -0.22 -3.00 0.00 0.00 -1.53 0.00 0.00 36.38 31.63 1xsf s VAL 14 CO 0.31 -0.50 0.00 0.61 -3.33 0.00 0.00 175.10 172.19 1xsf n GLY 15 N -1.63 0.12 4.80 6.54 0.00 -1.26 -4.90 105.19 108.85 1xsf n GLY 15 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.57 0.00 -3.51 2.61 -1.04 -1.26 -4.78 114.28 104.73 1xsf n THR 16 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 1xsf n THR 16 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 1xsf n THR 16 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1xsf n LYS 17 N -0.96 2.74 -1.96 -2.82 -0.00 -1.26 -5.05 118.16 108.85 1xsf n LYS 17 Ca 0.00 -4.57 -0.43 0.00 -0.00 0.00 0.00 58.31 53.32 1xsf n LYS 17 Cb 0.00 -2.35 -0.03 0.00 -0.00 0.00 0.00 35.03 32.65 1xsf n LYS 17 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 1xsf s PRO 18 N -2.02 3.75 -0.07 -1.58 0.02 -1.26 -4.82 135.00 129.01 1xsf s PRO 18 Ca 0.32 1.89 -0.06 0.00 0.02 0.00 0.00 61.00 63.17 1xsf s PRO 18 Cb 0.03 -4.11 -0.04 0.00 0.02 0.00 0.00 34.50 30.40 1xsf s PRO 18 CO -0.06 -1.36 -0.13 0.41 -0.33 0.00 0.00 177.00 175.52 1xsf n GLY 19 N 4.81 -0.19 0.21 0.52 0.00 -1.26 -4.73 105.19 104.55 1xsf n GLY 19 Ca 0.21 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.38 1.30 -5.98 2.61 2.02 -2.07 -3.49 112.91 106.93 1xsf h THR 20 Ca -0.18 -1.42 -0.05 0.00 0.77 0.00 0.00 66.41 65.52 1xsf h THR 20 Cb 0.96 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1xsf h THR 20 CO -0.11 0.45 -0.99 -0.62 0.37 0.00 0.00 175.52 174.62 1xsf n GLU 21 N -4.29 -1.55 -3.27 6.66 1.02 -1.26 -4.94 120.64 113.01 1xsf n GLU 21 Ca -0.04 1.52 -0.39 0.00 -0.02 0.00 0.00 57.16 58.23 1xsf n GLU 21 Cb 0.45 -2.69 -0.07 0.00 -0.02 0.00 0.00 31.44 29.12 1xsf n GLU 21 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xsf s VAL 22 N -1.35 5.12 0.12 2.62 1.01 -1.26 -5.02 120.40 121.64 1xsf s VAL 22 Ca 0.07 0.91 -0.33 0.00 0.00 0.00 0.00 61.98 62.63 1xsf s VAL 22 Cb -0.01 -3.82 -0.12 0.00 0.00 0.00 0.00 36.38 32.43 1xsf s VAL 22 CO 0.39 0.18 1.73 -2.65 0.00 0.00 0.00 175.10 174.76 1xsf n PRO 23 N 4.77 2.48 -2.17 2.72 -0.02 -1.26 -4.89 135.00 136.63 1xsf n PRO 23 Ca -0.05 0.90 -0.39 0.00 -2.02 0.00 0.00 63.50 61.93 1xsf n PRO 23 Cb 0.50 -2.73 -0.01 0.00 -0.02 0.00 0.00 33.50 31.24 1xsf n PRO 23 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1xsf s PRO 24 N 1.98 4.06 0.21 0.52 0.02 -1.26 -4.47 135.00 136.06 1xsf s PRO 24 Ca 0.81 2.02 0.05 0.00 0.02 0.00 0.00 61.00 63.90 1xsf s PRO 24 Cb -0.59 -2.76 -0.03 0.00 0.02 0.00 0.00 34.50 31.14 1xsf s PRO 24 CO 0.38 -0.37 0.27 0.08 -0.33 0.00 0.00 177.00 177.03 1xsf s VAL 25 N -1.31 4.95 0.31 3.83 1.01 -1.26 -4.97 120.40 122.96 1xsf s VAL 25 Ca 0.56 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1xsf s VAL 25 Cb -0.35 -3.64 0.30 0.00 0.00 0.00 0.00 36.38 32.69 1xsf s VAL 25 CO 0.45 -0.25 1.85 0.40 0.00 0.00 0.00 175.10 177.54 1xsf h ILE 26 N 1.47 0.90 -0.26 2.22 1.08 -2.04 0.23 117.51 121.11 1xsf h ILE 26 Ca -0.50 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 63.67 1xsf h ILE 26 Cb 1.22 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 1xsf h ILE 26 CO 0.63 0.16 0.00 0.47 -0.69 0.00 0.00 178.15 178.72 1xsf n ASP 27 N -4.59 3.01 0.00 1.72 8.00 -1.26 -4.02 116.55 119.40 1xsf n ASP 27 Ca 0.18 -1.88 0.08 0.00 0.71 0.00 0.00 54.79 53.87 1xsf n ASP 27 Cb 0.39 -0.16 0.38 0.00 -0.02 0.00 0.00 41.12 41.70 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 1.16 -0.83 0.18 0.44 0.00 0.80 -1.15 105.19 105.80 1xsf n GLY 28 Ca 0.15 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 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 0.85 -0.23 1.61 0.02 -1.69 0.12 113.55 114.22 1xsf h SER 29 Ca 0.00 -0.74 -0.15 0.00 -0.84 0.00 0.00 61.79 60.06 1xsf h SER 29 Cb 0.16 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1xsf h SER 29 CO 0.00 1.54 -0.39 0.40 -1.14 0.00 0.00 176.83 177.24 1xsf h ILE 30 N 0.32 1.28 -0.17 3.27 1.08 -1.33 -0.38 117.51 121.58 1xsf h ILE 30 Ca -0.15 -1.57 -0.16 0.00 -0.39 0.00 0.00 64.86 62.59 1xsf h ILE 30 Cb 1.81 1.46 -0.01 0.00 -3.07 0.00 0.00 36.82 37.00 1xsf h ILE 30 CO 0.22 0.51 -0.57 -0.50 -0.69 0.00 0.00 178.15 177.12 1xsf h TRP 31 N 0.63 0.66 -0.05 1.37 -0.00 -1.33 -0.15 115.95 117.08 1xsf h TRP 31 Ca 0.05 -0.24 -0.19 0.00 -0.00 0.00 0.00 58.89 58.51 1xsf h TRP 31 Cb 0.95 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 29.98 1xsf h TRP 31 CO 0.05 0.97 -0.79 0.22 -0.00 0.00 0.00 178.44 178.89 1xsf h ASP 32 N 0.40 0.43 0.10 -3.49 3.58 -0.64 -0.17 116.42 116.63 1xsf h ASP 32 Ca 0.00 -0.30 -0.13 0.00 0.42 0.00 0.00 57.03 57.02 1xsf h ASP 32 Cb 1.11 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 1xsf h ASP 32 CO 0.10 1.06 -0.45 0.00 -2.88 0.00 0.00 179.24 177.07 1xsf h ALA 33 N 0.93 0.91 -0.14 -0.78 0.00 -0.84 0.22 119.26 119.55 1xsf h ALA 33 Ca -0.04 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1xsf h ALA 33 Cb 1.38 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xsf h ALA 33 CO 0.13 0.65 -0.03 0.82 0.00 0.00 0.00 179.25 180.82 1xsf h ILE 34 N 0.34 1.29 -0.93 0.00 2.04 -0.91 -1.55 117.51 117.79 1xsf h ILE 34 Ca 0.02 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 64.95 1xsf h ILE 34 Cb 0.93 1.65 -0.05 0.00 -0.74 0.00 0.00 36.82 38.60 1xsf h ILE 34 CO 0.08 0.28 0.61 0.00 0.00 0.00 0.00 178.15 179.13 1xsf h ALA 35 N 0.71 1.40 0.00 1.87 0.00 -0.84 0.12 119.26 122.52 1xsf h ALA 35 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xsf h ALA 35 Cb 0.45 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xsf h ALA 35 CO 0.01 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1xsf n GLY 36 N -1.39 -1.25 0.09 0.00 0.00 0.76 -0.45 105.19 102.95 1xsf n GLY 36 Ca 0.12 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1xsf n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsf h GLU 38 N -1.00 0.10 0.00 0.00 4.57 -0.98 -3.31 114.58 113.95 1xsf h GLU 38 Ca -0.12 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1xsf h GLU 38 Cb 1.00 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 1xsf h GLU 38 CO -0.08 0.80 -1.03 0.00 -1.18 0.00 0.00 179.01 177.53 1xsf n ALA 39 N -2.64 3.77 -0.87 2.92 0.00 -0.78 -4.93 120.51 117.99 1xsf n ALA 39 Ca -0.18 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1xsf n ALA 39 Cb 1.04 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 1.42 0.89 0.41 0.00 0.00 -0.87 -3.67 105.19 103.35 1xsf n GLY 40 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.12 0.72 2.60 -0.02 0.00 0.40 -4.70 105.19 102.08 1xsf n GLY 41 Ca 0.00 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.02 2.52 0.03 1.61 3.04 -1.24 -4.94 114.94 113.94 1xsf s ASN 42 Ca 0.00 -1.56 0.24 0.00 0.04 0.00 0.00 52.86 51.58 1xsf s ASN 42 Cb 0.00 -0.02 1.01 0.00 -1.54 0.00 0.00 41.25 40.69 1xsf s ASN 42 CO 0.00 -0.35 1.77 0.79 -3.04 0.00 0.00 177.10 176.27 1xsf n TRP 43 N 4.64 0.13 -0.63 0.43 7.02 -1.26 -1.05 117.44 126.73 1xsf n TRP 43 Ca 0.04 0.04 0.08 0.00 -1.02 0.00 0.00 57.50 56.65 1xsf n TRP 43 Cb 0.42 -0.57 0.26 0.00 -2.42 0.00 0.00 31.31 28.99 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 -1.54 2.79 -1.95 6.99 0.00 -1.26 -3.32 120.51 122.22 1xsf n ALA 44 Ca 0.06 -1.73 -0.38 0.00 0.00 0.00 0.00 53.44 51.38 1xsf n ALA 44 Cb 0.30 -0.72 -0.06 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.98 4.36 -0.42 0.00 2.07 -1.07 -4.82 121.20 119.34 1xsf s ILE 45 Ca 0.39 1.64 0.02 0.00 -1.41 0.00 0.00 60.65 61.29 1xsf s ILE 45 Cb 0.27 -4.04 0.14 0.00 0.13 0.00 0.00 42.46 38.96 1xsf s ILE 45 CO 0.16 0.33 0.26 0.20 -1.91 0.00 0.00 174.94 173.98 1xsf s ASN 46 N -1.42 3.24 0.47 4.50 0.02 -1.26 0.17 114.94 120.66 1xsf s ASN 46 Ca 0.42 -2.61 0.25 0.00 -1.02 0.00 0.00 52.86 49.90 1xsf s ASN 46 Cb -0.20 -0.80 1.11 0.00 0.02 0.00 0.00 41.25 41.37 1xsf s ASN 46 CO 0.25 -0.26 1.91 0.71 0.02 0.00 0.00 177.10 179.73 1xsf h THR 47 N 5.06 0.55 0.00 1.60 1.35 -1.96 -3.46 112.91 116.04 1xsf h THR 47 Ca 0.05 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1xsf h THR 47 Cb 0.93 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1xsf h THR 47 CO 0.41 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 1xsf n GLY 48 N -0.12 0.83 1.10 5.82 0.00 -1.26 -4.96 105.19 106.60 1xsf n GLY 48 Ca -0.01 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.83 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 0.49 3.20 0.00 1.61 6.94 -1.26 -4.85 115.26 121.38 1xsf n ASN 49 Ca 0.00 -2.11 0.00 0.00 -0.02 0.00 0.00 54.58 52.45 1xsf n ASN 49 Cb 0.00 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.01 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 1.23 1.79 3.67 4.83 0.00 -1.26 -5.02 105.19 110.43 1xsf n GLY 50 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.42 2.91 0.42 1.61 2.02 -1.26 -2.17 117.35 118.45 1xsf s TYR 51 Ca 0.00 -0.08 0.07 0.00 -0.37 0.00 0.00 57.07 56.69 1xsf s TYR 51 Cb 0.00 -1.47 -0.06 0.00 -0.40 0.00 0.00 41.96 40.03 1xsf s TYR 51 CO 0.00 0.48 0.14 0.71 -1.57 0.00 0.00 175.55 175.32 1xsf s TYR 52 N -1.44 2.55 1.10 2.71 1.51 -0.87 -4.48 117.35 118.42 1xsf s TYR 52 Ca 0.26 -0.62 -0.14 0.00 -1.01 0.00 0.00 57.07 55.56 1xsf s TYR 52 Cb -0.11 -1.91 0.19 0.00 -0.11 0.00 0.00 41.96 40.02 1xsf s TYR 52 CO 0.18 0.23 0.69 0.41 -1.11 0.00 0.00 175.55 175.95 1xsf n GLY 53 N -1.19 -1.90 4.13 0.71 0.00 0.13 -2.32 105.19 104.75 1xsf n GLY 53 Ca -0.02 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 1.23 1.52 0.11 -0.02 0.00 -0.21 -3.65 105.19 104.18 1xsf n GLY 54 Ca 0.04 -0.44 0.15 0.00 0.00 0.00 0.00 46.02 45.77 1xsf n GLY 54 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xsf n VAL 55 N 0.00 0.00 -3.75 1.61 0.31 -1.26 -3.91 118.33 111.33 1xsf n VAL 55 Ca 0.00 -0.06 -0.26 0.00 -0.01 0.00 0.00 64.34 64.01 1xsf n VAL 55 Cb 0.00 -0.20 0.05 0.00 -0.91 0.00 0.00 33.84 32.78 1xsf n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xsf n GLN 56 N -0.87 -6.27 -4.27 5.55 1.13 -0.98 -4.90 117.38 106.77 1xsf n GLN 56 Ca 0.18 0.69 -0.24 0.00 -1.94 0.00 0.00 57.00 55.69 1xsf n GLN 56 Cb 0.23 -5.59 -0.08 0.00 0.11 0.00 0.00 30.24 24.91 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 -3.37 2.59 0.59 1.08 -0.71 -1.24 -4.66 117.98 112.26 1xsf s PHE 57 Ca 0.49 -0.45 -0.15 0.00 -1.04 0.00 0.00 56.93 55.78 1xsf s PHE 57 Cb -0.24 -1.59 -0.04 0.00 -1.21 0.00 0.00 43.02 39.95 1xsf s PHE 57 CO 0.79 0.41 1.04 0.16 -1.34 0.00 0.00 175.22 176.28 1xsf s ASP 58 N -3.77 5.96 0.44 1.98 -4.77 -1.26 -2.05 116.67 113.20 1xsf s ASP 58 Ca 0.36 1.71 0.11 0.00 -3.30 0.00 0.00 52.55 51.43 1xsf s ASP 58 Cb 0.00 -2.52 0.96 0.00 -1.09 0.00 0.00 42.92 40.28 1xsf s ASP 58 CO 0.20 -1.04 2.04 -0.61 0.70 0.00 0.00 175.17 176.46 1xsf h GLN 59 N 0.37 0.27 -0.03 2.11 5.75 -1.81 0.92 115.11 122.69 1xsf h GLN 59 Ca -0.46 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1xsf h GLN 59 Cb 1.21 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.70 1xsf h GLN 59 CO 0.59 0.25 0.00 0.78 -2.65 0.00 0.00 178.83 177.80 1xsf h GLY 60 N 0.44 0.06 1.06 2.39 0.00 -1.92 0.32 103.07 105.42 1xsf h GLY 60 Ca 0.07 -0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 1xsf h GLY 60 CO -0.00 0.04 -0.05 -0.84 0.00 0.00 0.00 176.54 175.69 1xsf h THR 61 N -0.23 1.27 -0.22 4.70 2.02 -1.88 0.31 112.91 118.88 1xsf h THR 61 Ca 0.01 -1.18 0.04 0.00 0.77 0.00 0.00 66.41 66.05 1xsf h THR 61 Cb 0.31 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 1xsf h THR 61 CO 0.00 0.42 -0.01 -0.25 0.37 0.00 0.00 175.52 176.05 1xsf h TRP 62 N 0.87 -0.04 -0.11 3.16 2.91 -0.72 -0.44 115.95 121.58 1xsf h TRP 62 Ca 0.15 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 60.09 1xsf h TRP 62 Cb 0.60 0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.28 1xsf h TRP 62 CO 0.04 -0.05 -0.36 1.49 -1.03 0.00 0.00 178.44 178.54 1xsf h GLU 63 N 0.05 0.23 -0.67 2.65 4.81 -0.18 0.37 114.58 121.85 1xsf h GLU 63 Ca 0.10 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1xsf h GLU 63 Cb 0.14 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1xsf h GLU 63 CO -0.19 0.57 0.17 0.00 -0.73 0.00 0.00 179.01 178.83 1xsf h ALA 64 N 1.43 1.04 0.00 2.92 0.00 0.60 0.22 119.26 125.47 1xsf h ALA 64 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1xsf h ALA 64 Cb 0.73 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1xsf h ALA 64 CO 0.06 0.63 0.00 0.09 0.00 0.00 0.00 179.25 180.03 1xsf n ASN 65 N -4.24 0.68 -0.83 0.00 5.03 -0.27 -4.93 115.26 110.70 1xsf n ASN 65 Ca 0.05 0.57 0.00 0.00 0.87 0.00 0.00 54.58 56.08 1xsf n ASN 65 Cb 0.25 -0.75 0.00 0.00 -1.02 0.00 0.00 39.78 38.25 1xsf n ASN 65 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xsf n GLY 66 N 1.17 0.49 0.12 7.41 0.00 0.07 -4.97 105.19 109.48 1xsf n GLY 66 Ca 0.05 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 1.86 -0.02 0.00 -0.48 -3.28 103.07 101.15 1xsf h GLY 67 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1xsf h GLY 67 CO 0.00 0.00 0.05 1.41 0.00 0.00 0.00 176.54 178.00 1xsf h LEU 68 N 0.00 0.00 -1.46 3.11 4.07 -1.78 0.32 115.31 119.57 1xsf h LEU 68 Ca 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 1xsf h LEU 68 Cb 0.72 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 1xsf h LEU 68 CO 0.00 0.00 -0.26 0.08 -1.08 0.00 0.00 178.44 177.18 1xsf h ARG 69 N 0.00 0.01 0.10 1.13 0.11 -1.97 -1.22 114.38 112.55 1xsf h ARG 69 Ca 0.03 -0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.83 1xsf h ARG 69 Cb 0.13 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.21 1xsf h ARG 69 CO -0.00 0.28 -1.30 1.88 0.10 0.00 0.00 179.97 180.92 1xsf h TYR 70 N 0.01 0.40 0.00 4.08 0.05 -0.73 -3.48 116.97 117.30 1xsf h TYR 70 Ca -0.00 -0.29 0.00 0.00 0.05 0.00 0.00 58.73 58.49 1xsf h TYR 70 Cb 0.47 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.20 1xsf h TYR 70 CO 0.00 1.26 0.00 0.00 -1.05 0.00 0.00 178.16 178.37 1xsf n ALA 71 N -2.54 0.00 0.00 3.88 0.00 0.10 -4.58 120.51 117.37 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 -1.06 -3.40 135.00 126.75 1xsf n PRO 72 Ca 0.00 0.21 -0.13 0.00 -2.02 0.00 0.00 63.50 61.57 1xsf n PRO 72 Cb 0.00 -1.53 -0.11 0.00 -0.02 0.00 0.00 33.50 31.83 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 -2.36 0.32 0.53 -0.52 1.70 -1.26 -4.78 118.95 112.58 1xsf s ARG 73 Ca 0.00 0.41 0.23 0.00 -0.47 0.00 0.00 55.73 55.91 1xsf s ARG 73 Cb 0.00 0.14 1.38 0.00 -0.57 0.00 0.00 34.95 35.89 1xsf s ARG 73 CO 0.00 -0.05 2.03 0.00 -1.08 0.00 0.00 175.30 176.20 1xsf h ALA 74 N 5.84 2.37 -0.00 7.88 0.00 -1.86 -0.14 119.26 133.34 1xsf h ALA 74 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xsf h ALA 74 Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1xsf h ALA 74 CO 0.33 -0.50 -0.09 -0.40 0.00 0.00 0.00 179.25 178.59 1xsf n ASP 75 N -4.39 0.41 -0.10 0.00 5.75 -1.24 -2.54 116.55 114.43 1xsf n ASP 75 Ca 0.07 -0.54 -0.09 0.00 -0.01 0.00 0.00 54.79 54.21 1xsf n ASP 75 Cb 0.48 -0.09 -0.16 0.00 -1.03 0.00 0.00 41.12 40.32 1xsf n ASP 75 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1xsf n LEU 76 N -0.99 0.00 -4.86 -2.12 7.94 -0.15 -4.56 117.00 112.26 1xsf n LEU 76 Ca 0.15 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.74 1xsf n LEU 76 Cb 0.27 0.49 0.01 0.00 0.53 0.00 0.00 43.42 44.71 1xsf n LEU 76 CO 0.23 0.49 0.71 0.00 -1.11 0.00 0.00 177.39 177.71 1xsf s ALA 77 N -2.52 3.04 0.31 1.96 0.00 -0.67 -4.94 121.76 118.94 1xsf s ALA 77 Ca -0.10 -0.02 0.05 0.00 0.00 0.00 0.00 51.96 51.89 1xsf s ALA 77 Cb 0.06 -3.10 0.05 0.00 0.00 0.00 0.00 23.12 20.13 1xsf s ALA 77 CO 0.83 -0.70 0.42 0.25 0.00 0.00 0.00 175.76 176.57 1xsf n THR 78 N -2.63 0.00 -0.10 0.00 -2.24 -1.26 -4.85 114.28 103.21 1xsf n THR 78 Ca 0.06 -1.04 -0.07 0.00 -2.27 0.00 0.00 64.05 60.73 1xsf n THR 78 Cb 0.54 -0.72 -0.00 0.00 -2.10 0.00 0.00 70.33 68.04 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 -0.19 -0.69 -0.78 3.08 -1.93 -0.57 114.38 113.30 1xsf h ARG 79 Ca -0.15 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1xsf h ARG 79 Cb 0.67 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 1xsf h ARG 79 CO 0.21 -0.13 0.41 1.05 -1.07 0.00 0.00 179.97 180.44 1xsf h GLU 80 N -0.20 0.94 0.02 0.04 4.11 -1.90 0.12 114.58 117.70 1xsf h GLU 80 Ca 0.17 -0.08 -0.00 0.00 0.07 0.00 0.00 59.36 59.52 1xsf h GLU 80 Cb 0.47 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1xsf h GLU 80 CO -0.47 0.66 -0.01 0.93 0.07 0.00 0.00 179.01 180.20 1xsf h GLU 81 N 0.96 -0.02 -0.45 1.06 4.39 -1.77 -2.05 114.58 116.69 1xsf h GLU 81 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1xsf h GLU 81 Cb -0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1xsf h GLU 81 CO -0.05 0.48 0.30 1.96 -1.16 0.00 0.00 179.01 180.54 1xsf h GLN 82 N -0.53 0.59 -0.09 2.33 4.20 -0.74 -0.38 115.11 120.49 1xsf h GLN 82 Ca -0.00 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1xsf h GLN 82 Cb 0.51 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 1xsf h GLN 82 CO 0.00 0.39 0.05 0.82 -0.67 0.00 0.00 178.83 179.43 1xsf h ILE 83 N 0.61 1.05 -0.52 2.54 2.04 -0.69 -0.12 117.51 122.42 1xsf h ILE 83 Ca 0.16 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 1xsf h ILE 83 Cb -0.07 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1xsf h ILE 83 CO -0.04 0.05 0.26 0.00 0.00 0.00 0.00 178.15 178.42 1xsf h ALA 84 N 0.99 0.67 -0.04 1.87 0.00 -0.38 0.58 119.26 122.95 1xsf h ALA 84 Ca 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1xsf h ALA 84 Cb 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1xsf h ALA 84 CO -0.01 0.21 -0.00 0.28 0.00 0.00 0.00 179.25 179.74 1xsf h VAL 85 N 0.69 1.25 -0.08 0.00 2.07 -1.11 -2.22 116.25 116.85 1xsf h VAL 85 Ca 0.18 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1xsf h VAL 85 Cb 0.09 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1xsf h VAL 85 CO -0.02 0.21 0.06 0.00 0.02 0.00 0.00 177.57 177.83 1xsf h ALA 86 N 0.71 2.04 -0.59 1.67 0.00 -0.79 -2.44 119.26 119.86 1xsf h ALA 86 Ca 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xsf h ALA 86 Cb 0.33 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1xsf h ALA 86 CO 0.00 -0.11 0.38 0.93 0.00 0.00 0.00 179.25 180.45 1xsf h GLU 87 N 0.00 0.74 -0.07 0.00 4.39 0.79 0.46 114.58 120.89 1xsf h GLU 87 Ca 0.04 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xsf h GLU 87 Cb 0.17 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1xsf h GLU 87 CO -0.00 0.49 0.04 0.28 -1.16 0.00 0.00 179.01 178.66 1xsf h VAL 88 N 0.76 1.04 -0.38 3.13 2.07 -1.20 -2.33 116.25 119.34 1xsf h VAL 88 Ca 0.22 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.59 1xsf h VAL 88 Cb -0.05 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1xsf h VAL 88 CO -0.07 0.03 -0.00 0.74 0.02 0.00 0.00 177.57 178.29 1xsf h THR 89 N 0.07 1.26 -0.41 2.57 2.02 -1.44 -3.08 112.91 113.90 1xsf h THR 89 Ca 0.02 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 1xsf h THR 89 Cb 0.02 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1xsf h THR 89 CO -0.00 0.34 0.22 0.08 0.37 0.00 0.00 175.52 176.52 1xsf h ARG 90 N 0.50 0.56 -0.27 6.66 -0.00 0.06 -1.76 114.38 120.13 1xsf h ARG 90 Ca 0.11 -0.05 -0.03 0.00 -0.00 0.00 0.00 59.98 60.00 1xsf h ARG 90 Cb 0.47 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.97 30.31 1xsf h ARG 90 CO 0.02 0.42 0.02 -0.07 -0.00 0.00 0.00 179.97 180.36 1xsf h LEU 91 N 0.57 0.36 0.00 0.08 3.38 -1.33 0.85 115.31 119.22 1xsf h LEU 91 Ca 0.15 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1xsf h LEU 91 Cb 0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1xsf h LEU 91 CO -0.02 0.41 -0.19 0.03 0.09 0.00 0.00 178.44 178.75 1xsf h ARG 92 N 0.39 0.00 0.00 1.13 3.08 -1.38 -3.38 114.38 114.21 1xsf h ARG 92 Ca 0.09 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 1xsf h ARG 92 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1xsf h ARG 92 CO 0.00 0.94 -1.79 0.00 -1.07 0.00 0.00 179.97 178.05 1xsf n GLN 93 N -4.59 0.65 -1.43 0.04 0.00 -1.02 -5.00 117.38 106.03 1xsf n GLN 93 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 57.00 56.86 1xsf n GLN 93 Cb 0.49 -1.64 0.00 0.00 0.00 0.00 0.00 30.24 29.09 1xsf n GLN 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xsf n GLY 94 N 1.39 0.96 2.73 2.61 0.00 0.29 -3.59 105.19 109.57 1xsf n GLY 94 Ca -0.11 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.40 0.00 0.22 1.61 7.02 -1.23 -4.75 117.44 118.91 1xsf n TRP 95 Ca 0.00 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.58 1xsf n TRP 95 Cb 0.29 -1.25 0.45 0.00 -2.42 0.00 0.00 31.31 28.38 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 0.00 0.00 2.00 6.99 0.00 -1.90 -2.66 103.07 107.50 1xsf h GLY 96 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1xsf h GLY 96 CO 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 176.54 176.03 1xsf h ALA 97 N 1.79 0.96 -2.34 3.60 0.00 -1.88 -3.38 119.26 118.01 1xsf h ALA 97 Ca -0.00 -0.47 -0.74 0.00 0.00 0.00 0.00 54.91 53.70 1xsf h ALA 97 Cb 0.76 -0.08 -0.24 0.00 0.00 0.00 0.00 17.79 18.23 1xsf h ALA 97 CO 0.03 0.64 -0.33 -1.58 0.00 0.00 0.00 179.25 178.01 1xsf s TRP 98 N -3.57 3.26 0.00 0.00 0.51 -1.00 -5.02 118.94 113.12 1xsf s TRP 98 Ca -0.00 -1.09 0.00 0.00 -2.12 0.00 0.00 56.10 52.89 1xsf s TRP 98 Cb 0.12 -3.26 0.00 0.00 -0.81 0.00 0.00 33.47 29.52 1xsf s TRP 98 CO 0.73 -0.85 0.02 -2.30 -0.51 0.00 0.00 176.95 174.05 1xsf n PRO 99 N 5.17 0.00 0.16 4.98 -0.02 -1.26 -3.53 135.00 140.50 1xsf n PRO 99 Ca -0.12 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.37 1xsf n PRO 99 Cb 0.43 -0.23 0.28 0.00 -0.02 0.00 0.00 33.50 33.95 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 1.34 0.19 -1.45 2.07 -1.95 -3.22 116.25 113.23 1xsf h VAL 100 Ca 0.00 -1.62 -0.31 0.00 0.82 0.00 0.00 66.70 65.59 1xsf h VAL 100 Cb 0.00 1.87 0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1xsf h VAL 100 CO 0.00 0.46 -1.35 0.00 0.02 0.00 0.00 177.57 176.70 1xsf h ALA 102 N 0.36 0.56 -0.78 0.00 0.00 -1.60 0.51 119.26 118.31 1xsf h ALA 102 Ca -0.20 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 1xsf h ALA 102 Cb 2.06 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.69 1xsf h ALA 102 CO 0.24 0.65 0.43 0.00 0.00 0.00 0.00 179.25 180.57 1xsf h ALA 103 N 0.77 1.27 0.00 0.00 0.00 -1.62 0.29 119.26 119.98 1xsf h ALA 103 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xsf h ALA 103 Cb 0.95 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1xsf h ALA 103 CO 0.09 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.93 1xsf h ARG 104 N 1.09 0.00 0.00 0.00 -0.00 -1.22 -3.29 114.38 110.96 1xsf h ARG 104 Ca 0.28 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.66 1xsf h ARG 104 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 29.98 1xsf h ARG 104 CO -0.04 0.00 -1.79 0.00 0.00 0.00 0.00 179.97 178.14 1xsf n ALA 105 N -2.00 2.37 0.00 0.04 0.00 0.15 -4.98 120.51 116.09 1xsf n ALA 105 Ca 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1xsf n ALA 105 Cb 0.38 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1xsf n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xsf n GLY 106 N 1.36 0.75 3.78 0.00 0.00 -0.06 -4.33 105.19 106.69 1xsf n GLY 106 Ca -0.09 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.39 2.84 0.00 4.61 0.00 -0.95 -4.91 121.76 121.96 1xsf s ALA 107 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1xsf s ALA 107 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1xsf s ALA 107 CO 0.00 -0.53 0.00 2.89 0.00 0.00 0.00 175.76 178.12