#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 1.26 -1.83 3.53 3.04 -2.13 -3.37 116.25 116.74 1xsf h VAL 2 Ca 0.00 -1.23 -0.60 0.00 -1.01 0.00 0.00 66.70 63.86 1xsf h VAL 2 Cb 0.00 1.55 -0.11 0.00 -2.01 0.00 0.00 31.29 30.72 1xsf h VAL 2 CO 0.00 0.36 1.17 -0.69 -1.01 0.00 0.00 177.57 177.40 1xsf s VAL 3 N -4.32 4.03 0.34 1.51 1.01 -1.26 -5.00 120.40 116.71 1xsf s VAL 3 Ca -0.04 -0.50 -0.22 0.00 0.00 0.00 0.00 61.98 61.22 1xsf s VAL 3 Cb 0.14 -4.94 -0.10 0.00 0.00 0.00 0.00 36.38 31.49 1xsf s VAL 3 CO 0.75 -1.80 0.89 -0.69 0.00 0.00 0.00 175.10 174.24 1xsf s VAL 4 N 4.76 4.38 -0.30 2.92 1.01 -1.26 -5.05 120.40 126.85 1xsf s VAL 4 Ca 0.38 1.54 0.02 0.00 0.00 0.00 0.00 61.98 63.92 1xsf s VAL 4 Cb -0.05 -3.82 0.09 0.00 0.00 0.00 0.00 36.38 32.60 1xsf s VAL 4 CO -0.00 -0.02 0.03 0.42 0.00 0.00 0.00 175.10 175.52 1xsf s THR 5 N -1.81 1.70 0.70 3.92 -4.23 -1.26 -5.12 115.64 109.54 1xsf s THR 5 Ca 0.53 -1.76 -0.11 0.00 -1.18 0.00 0.00 61.69 59.16 1xsf s THR 5 Cb -0.14 -2.16 0.01 0.00 1.34 0.00 0.00 72.50 71.55 1xsf s THR 5 CO 0.19 -0.46 1.09 -2.84 -0.54 0.00 0.00 174.62 172.06 1xsf s PRO 6 N 1.23 2.89 -0.76 3.99 0.02 -1.26 -5.02 135.00 136.10 1xsf s PRO 6 Ca 0.05 0.47 -0.12 0.00 0.02 0.00 0.00 61.00 61.43 1xsf s PRO 6 Cb -0.19 -2.02 0.20 0.00 0.02 0.00 0.00 34.50 32.51 1xsf s PRO 6 CO -0.12 -1.01 0.68 0.00 -0.33 0.00 0.00 177.00 176.22 1xsf s ALA 7 N -3.35 3.95 -0.96 -1.55 0.00 -1.26 -4.76 121.76 113.83 1xsf s ALA 7 Ca 0.58 -3.24 0.26 0.00 0.00 0.00 0.00 51.96 49.56 1xsf s ALA 7 Cb -0.11 -3.33 0.75 0.00 0.00 0.00 0.00 23.12 20.43 1xsf s ALA 7 CO 0.52 -2.22 1.59 0.72 0.00 0.00 0.00 175.76 176.37 1xsf n HIS 8 N 3.98 0.09 -2.00 0.00 8.25 -1.26 -4.91 115.22 119.37 1xsf n HIS 8 Ca 0.10 0.03 -0.29 0.00 -0.26 0.00 0.00 57.72 57.30 1xsf n HIS 8 Cb 0.45 -0.40 0.18 0.00 1.12 0.00 0.00 29.99 31.34 1xsf n HIS 8 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1xsf s GLU 9 N -3.02 0.73 -0.84 -0.41 2.02 -1.26 -4.46 118.70 111.46 1xsf s GLU 9 Ca 0.12 -0.49 -0.00 0.00 0.02 0.00 0.00 54.97 54.61 1xsf s GLU 9 Cb 0.17 -1.89 -0.01 0.00 0.10 0.00 0.00 34.13 32.50 1xsf s GLU 9 CO 0.64 -2.33 0.71 0.00 0.02 0.00 0.00 175.26 174.30 1xsf n ALA 10 N -3.68 -1.49 0.22 5.21 0.00 -1.26 -4.93 120.51 114.59 1xsf n ALA 10 Ca 0.15 -0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.63 1xsf n ALA 10 Cb 0.60 -2.11 0.50 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.29 0.96 -5.54 0.00 2.07 -1.99 -3.48 116.25 106.99 1xsf h VAL 11 Ca -0.42 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.10 1xsf h VAL 11 Cb 1.24 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1xsf h VAL 11 CO 0.35 0.25 -0.87 0.52 0.02 0.00 0.00 177.57 177.84 1xsf n VAL 12 N -3.92 -1.95 -3.35 2.57 0.31 -1.26 -4.92 118.33 105.81 1xsf n VAL 12 Ca -0.02 0.35 -0.42 0.00 -0.01 0.00 0.00 64.34 64.25 1xsf n VAL 12 Cb 0.33 -2.58 -0.09 0.00 -0.91 0.00 0.00 33.84 30.60 1xsf n VAL 12 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1xsf s ARG 13 N -1.06 3.35 0.26 5.55 0.52 -1.26 -5.06 118.95 121.26 1xsf s ARG 13 Ca 0.06 -0.56 0.10 0.00 -0.52 0.00 0.00 55.73 54.81 1xsf s ARG 13 Cb -0.01 -3.88 -0.04 0.00 0.52 0.00 0.00 34.95 31.54 1xsf s ARG 13 CO 0.13 -0.68 -0.03 0.08 0.02 0.00 0.00 175.30 174.83 1xsf s VAL 14 N 2.09 3.36 0.00 3.52 1.01 -1.26 -4.93 120.40 124.19 1xsf s VAL 14 Ca 0.12 -1.94 0.00 0.00 0.00 0.00 0.00 61.98 60.16 1xsf s VAL 14 Cb -0.17 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1xsf s VAL 14 CO 0.13 -0.36 0.00 0.61 0.00 0.00 0.00 175.10 175.47 1xsf n GLY 15 N -0.82 -0.56 0.16 4.51 0.00 -1.26 -4.97 105.19 102.24 1xsf n GLY 15 Ca -0.06 -0.42 -0.01 0.00 0.00 0.00 0.00 46.02 45.52 1xsf n GLY 15 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xsf h THR 16 N 0.00 1.37 -3.44 2.61 2.02 -2.06 -3.36 112.91 110.05 1xsf h THR 16 Ca 0.00 -1.78 -0.71 0.00 0.77 0.00 0.00 66.41 64.68 1xsf h THR 16 Cb 0.00 1.94 -0.32 0.00 -1.74 0.00 0.00 68.15 68.03 1xsf h THR 16 CO 0.00 0.51 -0.40 -1.59 0.37 0.00 0.00 175.52 174.41 1xsf s LYS 17 N -3.86 2.43 -0.32 6.66 0.00 -1.26 -5.06 119.74 118.32 1xsf s LYS 17 Ca -0.02 -2.00 -0.29 0.00 0.00 0.00 0.00 55.97 53.66 1xsf s LYS 17 Cb 0.13 -3.82 0.00 0.00 0.00 0.00 0.00 37.83 34.15 1xsf s LYS 17 CO 0.76 -1.16 1.34 -1.25 0.00 0.00 0.00 175.35 175.04 1xsf s PRO 18 N 0.91 3.82 -0.01 1.78 0.04 -1.26 -4.84 135.00 135.44 1xsf s PRO 18 Ca 0.10 1.19 0.20 0.00 0.04 0.00 0.00 61.00 62.52 1xsf s PRO 18 Cb -0.23 -3.92 -0.26 0.00 0.04 0.00 0.00 34.50 30.13 1xsf s PRO 18 CO -0.03 -1.24 0.66 0.41 0.04 0.00 0.00 177.00 176.84 1xsf n GLY 19 N 4.53 -0.89 0.21 0.56 0.00 -1.26 -4.47 105.19 103.86 1xsf n GLY 19 Ca 0.15 -0.52 -0.03 0.00 0.00 0.00 0.00 46.02 45.62 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 0.89 -3.84 2.61 2.02 -2.02 -3.43 112.91 109.14 1xsf h THR 20 Ca 0.00 -0.15 -0.26 0.00 0.77 0.00 0.00 66.41 66.77 1xsf h THR 20 Cb 0.68 0.41 -0.27 0.00 -1.74 0.00 0.00 68.15 67.23 1xsf h THR 20 CO 0.00 0.08 -0.73 -1.61 0.37 0.00 0.00 175.52 173.63 1xsf s GLU 21 N -6.12 0.23 -0.49 6.66 2.02 -1.26 -5.11 118.70 114.63 1xsf s GLU 21 Ca -0.13 -0.21 -0.23 0.00 0.02 0.00 0.00 54.97 54.42 1xsf s GLU 21 Cb 0.14 -0.16 0.03 0.00 0.10 0.00 0.00 34.13 34.25 1xsf s GLU 21 CO 0.73 0.04 0.84 0.08 0.02 0.00 0.00 175.26 176.97 1xsf s VAL 22 N -0.34 4.56 0.17 2.63 1.01 -1.26 -4.95 120.40 122.22 1xsf s VAL 22 Ca -0.02 0.30 -0.32 0.00 0.00 0.00 0.00 61.98 61.95 1xsf s VAL 22 Cb -0.03 -4.41 -0.10 0.00 0.00 0.00 0.00 36.38 31.84 1xsf s VAL 22 CO -0.00 -0.88 1.63 -2.84 0.00 0.00 0.00 175.10 173.01 1xsf s PRO 23 N 3.49 4.18 0.35 2.72 0.02 -1.26 -4.96 135.00 139.55 1xsf s PRO 23 Ca 0.29 2.44 -0.28 0.00 0.02 0.00 0.00 61.00 63.47 1xsf s PRO 23 Cb -0.13 -3.19 -0.12 0.00 0.02 0.00 0.00 34.50 31.08 1xsf s PRO 23 CO 0.21 -0.67 1.33 -0.35 -0.33 0.00 0.00 177.00 177.18 1xsf n PRO 24 N 4.21 2.22 -2.76 5.54 -0.04 -1.26 -4.92 135.00 137.99 1xsf n PRO 24 Ca 0.15 0.78 -0.42 0.00 -0.04 0.00 0.00 63.50 63.97 1xsf n PRO 24 Cb 0.38 -2.40 -0.03 0.00 -0.04 0.00 0.00 33.50 31.41 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 -1.11 4.84 0.18 0.52 1.01 -1.26 -4.94 120.40 119.64 1xsf s VAL 25 Ca 0.55 1.91 0.03 0.00 0.00 0.00 0.00 61.98 64.47 1xsf s VAL 25 Cb -0.55 -4.25 -0.13 0.00 0.00 0.00 0.00 36.38 31.45 1xsf s VAL 25 CO 0.62 0.05 1.40 0.40 0.00 0.00 0.00 175.10 177.58 1xsf h ILE 26 N 5.05 1.48 -0.19 2.22 5.03 -2.01 -2.97 117.51 126.13 1xsf h ILE 26 Ca -0.33 -2.52 0.00 0.00 -0.12 0.00 0.00 64.86 61.89 1xsf h ILE 26 Cb 1.16 2.39 0.00 0.00 -3.03 0.00 0.00 36.82 37.34 1xsf h ILE 26 CO 0.83 0.74 0.00 0.47 -0.68 0.00 0.00 178.15 179.50 1xsf n ASP 27 N -3.69 1.11 0.00 1.72 8.00 -1.26 -3.32 116.55 119.11 1xsf n ASP 27 Ca -0.03 -1.89 0.02 0.00 0.71 0.00 0.00 54.79 53.60 1xsf n ASP 27 Cb 0.78 -0.12 0.11 0.00 -0.02 0.00 0.00 41.12 41.87 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 0.88 -0.63 0.17 0.44 0.00 -1.12 -0.93 105.19 104.00 1xsf n GLY 28 Ca 0.09 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 0.57 -0.38 1.61 0.02 -1.82 0.18 113.55 113.72 1xsf h SER 29 Ca 0.00 -0.55 -0.15 0.00 -0.84 0.00 0.00 61.79 60.25 1xsf h SER 29 Cb 0.08 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1xsf h SER 29 CO 0.00 1.01 -0.33 0.40 -1.14 0.00 0.00 176.83 176.78 1xsf h ILE 30 N 0.15 1.27 -0.30 3.27 1.08 -1.24 -1.19 117.51 120.55 1xsf h ILE 30 Ca 0.01 -1.49 -0.11 0.00 -0.39 0.00 0.00 64.86 62.87 1xsf h ILE 30 Cb 0.91 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.95 1xsf h ILE 30 CO 0.07 0.50 -0.27 -0.50 -0.69 0.00 0.00 178.15 177.26 1xsf h TRP 31 N 0.77 0.69 -0.23 1.37 -0.00 -1.28 0.16 115.95 117.43 1xsf h TRP 31 Ca 0.08 -0.16 -0.14 0.00 -0.00 0.00 0.00 58.89 58.66 1xsf h TRP 31 Cb 0.91 -0.16 0.00 0.00 -0.00 0.00 0.00 29.16 29.90 1xsf h TRP 31 CO 0.06 0.82 -0.42 0.22 -0.00 0.00 0.00 178.44 179.11 1xsf h ASP 32 N 0.53 0.77 0.02 -3.49 3.58 -0.50 -0.51 116.42 116.81 1xsf h ASP 32 Ca 0.07 -0.54 -0.09 0.00 0.42 0.00 0.00 57.03 56.89 1xsf h ASP 32 Cb 0.74 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 1xsf h ASP 32 CO 0.06 1.16 -0.27 0.00 -2.88 0.00 0.00 179.24 177.30 1xsf h ALA 33 N 0.63 1.15 -0.28 -0.78 0.00 -0.88 0.44 119.26 119.54 1xsf h ALA 33 Ca 0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1xsf h ALA 33 Cb 1.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1xsf h ALA 33 CO 0.09 0.54 0.07 0.82 0.00 0.00 0.00 179.25 180.78 1xsf h ILE 34 N 0.35 1.21 -0.92 0.00 2.04 -0.62 -1.57 117.51 118.00 1xsf h ILE 34 Ca 0.05 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.27 1xsf h ILE 34 Cb 0.67 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 1xsf h ILE 34 CO 0.05 0.23 0.60 0.00 0.00 0.00 0.00 178.15 179.02 1xsf h ALA 35 N 0.90 1.46 0.00 1.87 0.00 -0.37 -0.74 119.26 122.38 1xsf h ALA 35 Ca 0.09 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1xsf h ALA 35 Cb 0.27 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xsf h ALA 35 CO -0.00 0.42 -0.24 0.78 0.00 0.00 0.00 179.25 180.21 1xsf h GLY 36 N 1.09 0.00 0.11 0.00 0.00 0.19 0.22 103.07 104.67 1xsf h GLY 36 Ca 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 1xsf h GLY 36 CO -0.13 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.36 1xsf h GLU 38 N -0.59 0.06 -0.00 0.00 4.57 -1.40 -3.33 114.58 113.89 1xsf h GLU 38 Ca -0.01 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1xsf h GLU 38 Cb 0.11 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1xsf h GLU 38 CO 0.02 0.71 -0.77 0.00 -1.18 0.00 0.00 179.01 177.79 1xsf n ALA 39 N -2.59 4.23 -1.03 2.92 0.00 -0.16 -4.92 120.51 118.96 1xsf n ALA 39 Ca -0.16 -0.53 -0.01 0.00 0.00 0.00 0.00 53.44 52.74 1xsf n ALA 39 Cb 1.04 -0.88 -0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 1.48 0.49 2.44 0.00 0.00 -0.68 -3.61 105.19 105.31 1xsf n GLY 40 Ca 0.05 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.78 -0.20 3.03 -0.02 0.00 0.58 -4.84 105.19 100.96 1xsf n GLY 41 Ca -0.01 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.23 0.19 0.00 1.61 2.47 -1.24 -4.91 114.94 109.84 1xsf s ASN 42 Ca 0.24 0.60 0.23 0.00 0.42 0.00 0.00 52.86 54.36 1xsf s ASN 42 Cb -0.03 0.67 0.12 0.00 -1.45 0.00 0.00 41.25 40.56 1xsf s ASN 42 CO 0.40 -0.22 1.16 0.79 -3.72 0.00 0.00 177.10 175.51 1xsf n TRP 43 N 5.11 0.00 -0.18 0.43 7.02 -1.26 0.21 117.44 128.77 1xsf n TRP 43 Ca -0.10 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.43 1xsf n TRP 43 Cb 0.50 -0.04 0.16 0.00 -2.42 0.00 0.00 31.31 29.51 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 -0.54 2.18 -1.77 6.99 0.00 -1.26 -3.68 120.51 122.43 1xsf n ALA 44 Ca 0.08 -1.14 -0.39 0.00 0.00 0.00 0.00 53.44 52.00 1xsf n ALA 44 Cb 0.41 -0.45 -0.03 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.00 3.20 -0.33 0.00 2.07 -1.25 -4.82 121.20 119.07 1xsf s ILE 45 Ca 0.24 1.05 0.01 0.00 -1.41 0.00 0.00 60.65 60.54 1xsf s ILE 45 Cb 0.12 -3.61 0.19 0.00 0.13 0.00 0.00 42.46 39.30 1xsf s ILE 45 CO 0.16 0.13 0.76 0.21 -1.91 0.00 0.00 174.94 174.29 1xsf s ASN 46 N -1.07 -1.18 0.08 4.50 3.84 -1.26 0.36 114.94 120.21 1xsf s ASN 46 Ca 0.54 -0.14 0.27 0.00 0.21 0.00 0.00 52.86 53.74 1xsf s ASN 46 Cb -0.31 1.65 0.90 0.00 -0.55 0.00 0.00 41.25 42.94 1xsf s ASN 46 CO 0.39 -0.18 1.74 0.35 -2.79 0.00 0.00 177.10 176.61 1xsf n THR 47 N 4.87 0.23 -0.65 -5.21 -2.24 -1.26 -4.91 114.28 105.10 1xsf n THR 47 Ca 0.08 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1xsf n THR 47 Cb 0.57 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1xsf n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xsf n GLY 48 N 1.42 0.77 0.50 3.38 0.00 -1.26 -4.95 105.19 105.05 1xsf n GLY 48 Ca 0.06 -0.56 0.09 0.00 0.00 0.00 0.00 46.02 45.60 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 1.07 1.50 0.00 1.61 0.23 -1.26 -4.86 115.26 113.55 1xsf n ASN 49 Ca 0.00 -1.76 0.00 0.00 -0.53 0.00 0.00 54.58 52.29 1xsf n ASN 49 Cb 0.06 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 37.64 1xsf n ASN 49 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xsf n GLY 50 N 1.06 1.25 3.66 4.83 0.00 -1.26 -5.04 105.19 109.68 1xsf n GLY 50 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.29 2.69 0.35 1.61 1.51 -1.26 -0.91 117.35 119.04 1xsf s TYR 51 Ca 0.00 -0.27 0.05 0.00 -1.01 0.00 0.00 57.07 55.84 1xsf s TYR 51 Cb 0.00 -1.30 -0.07 0.00 -0.11 0.00 0.00 41.96 40.49 1xsf s TYR 51 CO 0.00 0.56 0.04 0.71 -1.11 0.00 0.00 175.55 175.75 1xsf s TYR 52 N -2.36 2.13 0.32 2.71 1.51 0.25 -4.53 117.35 117.38 1xsf s TYR 52 Ca 0.33 -0.88 -0.05 0.00 -1.01 0.00 0.00 57.07 55.46 1xsf s TYR 52 Cb -0.05 -1.43 0.08 0.00 -0.11 0.00 0.00 41.96 40.44 1xsf s TYR 52 CO 0.20 0.14 0.29 0.41 -1.11 0.00 0.00 175.55 175.48 1xsf n GLY 53 N -0.78 -2.47 6.33 0.71 0.00 0.16 -2.85 105.19 106.28 1xsf n GLY 53 Ca -0.03 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 0.66 1.66 1.32 -0.02 0.00 0.13 -3.44 105.19 105.50 1xsf n GLY 54 Ca 0.04 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.74 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 1.63 -3.45 1.61 0.31 -1.26 -4.20 118.33 112.97 1xsf n VAL 55 Ca 0.00 -0.82 -0.17 0.00 -0.01 0.00 0.00 64.34 63.33 1xsf n VAL 55 Cb 0.00 -0.37 0.08 0.00 -0.91 0.00 0.00 33.84 32.65 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 0.37 -6.36 -2.82 5.55 3.00 -1.22 -4.96 117.38 110.94 1xsf n GLN 56 Ca 0.16 0.83 -0.40 0.00 -0.01 0.00 0.00 57.00 57.58 1xsf n GLN 56 Cb 0.81 -5.81 -0.05 0.00 0.00 0.00 0.00 30.24 25.18 1xsf n GLN 56 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1xsf s PHE 57 N -3.39 3.90 0.55 1.08 0.08 -1.13 -4.79 117.98 114.28 1xsf s PHE 57 Ca 0.01 1.78 -0.15 0.00 0.12 0.00 0.00 56.93 58.69 1xsf s PHE 57 Cb -0.00 -2.93 -0.06 0.00 -0.57 0.00 0.00 43.02 39.45 1xsf s PHE 57 CO 0.74 0.39 1.00 0.16 -0.10 0.00 0.00 175.22 177.41 1xsf s ASP 58 N -0.76 6.43 0.37 1.36 -4.77 -1.26 0.86 116.67 118.91 1xsf s ASP 58 Ca 0.41 1.55 0.10 0.00 -3.30 0.00 0.00 52.55 51.31 1xsf s ASP 58 Cb -0.24 -2.50 0.85 0.00 -1.09 0.00 0.00 42.92 39.94 1xsf s ASP 58 CO 0.29 -0.72 1.89 -0.61 0.70 0.00 0.00 175.17 176.72 1xsf h GLN 59 N 0.54 0.63 0.03 2.11 5.75 -1.39 -1.81 115.11 120.97 1xsf h GLN 59 Ca -0.46 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1xsf h GLN 59 Cb 1.19 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.60 1xsf h GLN 59 CO 0.61 0.42 -0.01 0.78 -2.65 0.00 0.00 178.83 177.97 1xsf h GLY 60 N 0.65 -0.04 1.09 2.39 0.00 -1.92 0.79 103.07 106.03 1xsf h GLY 60 Ca 0.41 0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.64 1xsf h GLY 60 CO -0.17 -0.01 -0.14 -0.84 0.00 0.00 0.00 176.54 175.38 1xsf h THR 61 N -0.46 1.27 -0.22 4.70 2.02 -1.91 0.42 112.91 118.72 1xsf h THR 61 Ca -0.00 -1.29 0.03 0.00 0.77 0.00 0.00 66.41 65.91 1xsf h THR 61 Cb 0.43 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 1xsf h THR 61 CO 0.01 0.45 0.06 -0.25 0.37 0.00 0.00 175.52 176.16 1xsf h TRP 62 N 0.87 0.11 -0.20 3.16 2.91 -1.31 -0.96 115.95 120.53 1xsf h TRP 62 Ca 0.13 0.01 -0.10 0.00 1.13 0.00 0.00 58.89 60.06 1xsf h TRP 62 Cb 0.71 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.33 1xsf h TRP 62 CO 0.05 0.04 -0.31 1.49 -1.03 0.00 0.00 178.44 178.68 1xsf h GLU 63 N 0.16 0.41 -0.69 2.65 4.81 -0.53 0.34 114.58 121.72 1xsf h GLU 63 Ca 0.10 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1xsf h GLU 63 Cb 0.08 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1xsf h GLU 63 CO -0.12 0.68 0.29 0.00 -0.73 0.00 0.00 179.01 179.13 1xsf h ALA 64 N 1.32 0.90 0.00 2.92 0.00 0.60 -0.35 119.26 124.64 1xsf h ALA 64 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xsf h ALA 64 Cb 0.73 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1xsf h ALA 64 CO 0.06 0.51 0.00 -0.91 0.00 0.00 0.00 179.25 178.91 1xsf h ASN 65 N 0.98 0.00 -0.78 0.00 -0.26 -1.06 -3.47 115.58 110.99 1xsf h ASN 65 Ca 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 1xsf h ASN 65 Cb 0.19 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.45 1xsf h ASN 65 CO -0.02 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.96 1xsf n GLY 66 N 0.44 0.69 0.13 2.83 0.00 -0.14 -4.99 105.19 104.15 1xsf n GLY 66 Ca 0.02 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.54 -3.26 103.07 101.25 1xsf h GLY 67 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xsf h GLY 67 CO 0.00 0.00 -0.01 1.41 0.00 0.00 0.00 176.54 177.94 1xsf h LEU 68 N 0.00 0.00 -1.28 3.11 4.07 -1.77 0.26 115.31 119.69 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 0.73 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.46 1xsf h LEU 68 CO 0.00 0.01 -0.17 0.08 -1.08 0.00 0.00 178.44 177.28 1xsf h ARG 69 N 0.00 0.27 0.05 1.13 0.11 -1.97 -1.78 114.38 112.20 1xsf h ARG 69 Ca -0.00 -0.07 -0.24 0.00 0.10 0.00 0.00 59.98 59.77 1xsf h ARG 69 Cb 0.02 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.07 1xsf h ARG 69 CO 0.00 0.45 -1.05 1.88 0.10 0.00 0.00 179.97 181.35 1xsf h TYR 70 N 0.26 0.47 0.00 4.08 0.05 -0.86 -3.47 116.97 117.49 1xsf h TYR 70 Ca 0.05 -0.29 0.00 0.00 0.05 0.00 0.00 58.73 58.53 1xsf h TYR 70 Cb 0.46 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.16 1xsf h TYR 70 CO 0.01 1.16 0.00 0.00 -1.05 0.00 0.00 178.16 178.28 1xsf n ALA 71 N -2.51 0.00 0.00 3.88 0.00 0.31 -4.51 120.51 117.67 1xsf n ALA 71 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1xsf n ALA 71 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.36 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 -3.78 0.00 -0.02 -1.05 -3.42 135.00 126.73 1xsf n PRO 72 Ca 0.00 0.19 -0.13 0.00 -2.02 0.00 0.00 63.50 61.54 1xsf n PRO 72 Cb 0.00 -1.52 -0.13 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 -2.32 0.20 0.51 -0.52 1.70 -1.26 -4.79 118.95 112.47 1xsf s ARG 73 Ca 0.00 0.34 0.22 0.00 -0.47 0.00 0.00 55.73 55.81 1xsf s ARG 73 Cb 0.00 0.01 1.31 0.00 -0.57 0.00 0.00 34.95 35.70 1xsf s ARG 73 CO 0.00 -0.08 2.02 0.00 -1.08 0.00 0.00 175.30 176.16 1xsf h ALA 74 N 6.36 2.33 -0.30 7.88 0.00 -1.89 -0.59 119.26 133.05 1xsf h ALA 74 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1xsf h ALA 74 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xsf h ALA 74 CO 0.39 -0.45 0.00 -0.40 0.00 0.00 0.00 179.25 178.79 1xsf n ASP 75 N -4.42 1.64 -0.05 0.00 5.75 -1.25 -2.90 116.55 115.31 1xsf n ASP 75 Ca 0.08 -1.97 -0.06 0.00 -0.01 0.00 0.00 54.79 52.82 1xsf n ASP 75 Cb 0.48 -0.20 -0.07 0.00 -1.03 0.00 0.00 41.12 40.30 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 0.39 0.94 -4.88 -2.12 7.94 -0.27 -4.70 117.00 114.29 1xsf n LEU 76 Ca 0.11 -0.02 -0.30 0.00 -1.11 0.00 0.00 56.01 54.68 1xsf n LEU 76 Cb 0.26 0.03 0.04 0.00 0.53 0.00 0.00 43.42 44.28 1xsf n LEU 76 CO 0.07 0.40 0.74 0.00 -1.11 0.00 0.00 177.39 177.49 1xsf s ALA 77 N -2.25 2.94 0.26 1.96 0.00 -0.94 -4.97 121.76 118.76 1xsf s ALA 77 Ca -0.09 -0.26 0.04 0.00 0.00 0.00 0.00 51.96 51.64 1xsf s ALA 77 Cb 0.03 -3.04 0.04 0.00 0.00 0.00 0.00 23.12 20.15 1xsf s ALA 77 CO 0.38 -1.02 0.33 0.25 0.00 0.00 0.00 175.76 175.70 1xsf n THR 78 N -2.94 0.00 -0.03 0.00 -2.24 -1.26 -4.85 114.28 102.95 1xsf n THR 78 Ca 0.07 -0.77 -0.09 0.00 -2.27 0.00 0.00 64.05 60.98 1xsf n THR 78 Cb 0.56 -0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 67.93 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 -0.32 -0.79 -0.78 3.08 -1.96 -0.65 114.38 112.96 1xsf h ARG 79 Ca -0.11 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1xsf h ARG 79 Cb 0.50 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.59 1xsf h ARG 79 CO 0.16 -0.21 0.44 1.05 -1.07 0.00 0.00 179.97 180.34 1xsf h GLU 80 N -0.33 1.09 0.14 0.04 4.11 -1.95 0.44 114.58 118.12 1xsf h GLU 80 Ca 0.12 -0.12 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xsf h GLU 80 Cb 0.52 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1xsf h GLU 80 CO -0.39 0.80 -0.10 0.93 0.07 0.00 0.00 179.01 180.32 1xsf h GLU 81 N 1.09 -0.23 -0.92 1.06 3.07 -1.86 -0.06 114.58 116.74 1xsf h GLU 81 Ca 0.28 0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.17 1xsf h GLU 81 Cb 0.01 0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 27.93 1xsf h GLU 81 CO -0.05 -0.15 0.61 1.96 -1.40 0.00 0.00 179.01 179.98 1xsf h GLN 82 N -0.23 1.19 -0.53 2.33 4.20 -0.21 -1.59 115.11 120.26 1xsf h GLN 82 Ca -0.01 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1xsf h GLN 82 Cb 0.20 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 1xsf h GLN 82 CO 0.00 0.79 0.32 0.82 -0.67 0.00 0.00 178.83 180.09 1xsf h ILE 83 N 1.22 1.16 -0.35 2.54 2.04 0.06 0.17 117.51 124.35 1xsf h ILE 83 Ca 0.34 -0.36 -0.09 0.00 1.00 0.00 0.00 64.86 65.76 1xsf h ILE 83 Cb -0.10 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 1xsf h ILE 83 CO -0.08 0.16 -0.14 0.00 0.00 0.00 0.00 178.15 178.09 1xsf h ALA 84 N 1.16 1.10 -0.11 1.87 0.00 -0.14 0.68 119.26 123.82 1xsf h ALA 84 Ca 0.19 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1xsf h ALA 84 Cb -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1xsf h ALA 84 CO -0.04 0.56 0.00 0.28 0.00 0.00 0.00 179.25 180.05 1xsf h VAL 85 N 0.57 1.25 -0.18 0.00 2.07 -0.97 -2.42 116.25 116.56 1xsf h VAL 85 Ca 0.10 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.85 1xsf h VAL 85 Cb 0.57 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1xsf h VAL 85 CO 0.04 0.23 0.13 0.00 0.02 0.00 0.00 177.57 177.98 1xsf h ALA 86 N 0.75 2.07 -0.69 1.67 0.00 -0.18 -2.02 119.26 120.85 1xsf h ALA 86 Ca 0.03 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1xsf h ALA 86 Cb 0.35 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1xsf h ALA 86 CO 0.01 -0.11 0.44 0.93 0.00 0.00 0.00 179.25 180.52 1xsf h GLU 87 N 0.08 0.85 -0.04 0.00 4.39 0.85 0.57 114.58 121.28 1xsf h GLU 87 Ca 0.08 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1xsf h GLU 87 Cb 0.22 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1xsf h GLU 87 CO -0.01 0.56 0.02 0.28 -1.16 0.00 0.00 179.01 178.70 1xsf h VAL 88 N 0.87 1.12 -0.48 3.13 2.07 -1.11 0.10 116.25 121.95 1xsf h VAL 88 Ca 0.27 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 1xsf h VAL 88 Cb -0.02 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1xsf h VAL 88 CO -0.09 0.10 0.00 0.74 0.02 0.00 0.00 177.57 178.34 1xsf h THR 89 N -0.08 1.26 -0.12 2.57 2.02 -1.28 -2.69 112.91 114.59 1xsf h THR 89 Ca 0.01 -1.06 -0.11 0.00 0.77 0.00 0.00 66.41 66.02 1xsf h THR 89 Cb 0.15 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1xsf h THR 89 CO -0.00 0.37 -0.42 0.08 0.37 0.00 0.00 175.52 175.92 1xsf h ARG 90 N 0.71 0.27 -0.21 6.66 0.11 0.16 -2.43 114.38 119.64 1xsf h ARG 90 Ca 0.14 -0.13 0.06 0.00 0.10 0.00 0.00 59.98 60.15 1xsf h ARG 90 Cb 0.51 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.58 1xsf h ARG 90 CO 0.02 0.65 0.19 1.25 0.10 0.00 0.00 179.97 182.18 1xsf h LEU 91 N 0.22 0.00 0.00 0.08 5.85 -0.63 0.77 115.31 121.61 1xsf h LEU 91 Ca 0.02 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.48 1xsf h LEU 91 Cb 0.84 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 1xsf h LEU 91 CO 0.07 0.00 -1.46 0.54 -0.34 0.00 0.00 178.44 177.24 1xsf n ARG 92 N -4.08 0.56 -0.00 1.25 1.74 -0.95 -4.66 116.66 110.52 1xsf n ARG 92 Ca 0.02 0.50 0.08 0.00 -0.77 0.00 0.00 57.85 57.68 1xsf n ARG 92 Cb 0.33 -1.69 -0.11 0.00 -1.02 0.00 0.00 32.46 29.97 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 -4.41 1.10 0.00 5.56 0.00 -1.00 -5.05 117.38 113.58 1xsf n GLN 93 Ca -0.35 -0.08 0.00 0.00 0.00 0.00 0.00 57.00 56.58 1xsf n GLN 93 Cb 0.69 -1.32 0.00 0.00 0.00 0.00 0.00 30.24 29.60 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 1.47 0.85 0.47 2.61 0.00 0.27 -3.46 105.19 107.40 1xsf n GLY 94 Ca -0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 0.24 1.61 7.02 -1.26 -4.48 117.44 120.56 1xsf n TRP 95 Ca 0.00 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.57 1xsf n TRP 95 Cb 0.00 0.04 0.58 0.00 -2.42 0.00 0.00 31.31 29.51 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 1.86 6.99 0.00 -1.94 -0.40 103.07 109.59 1xsf h GLY 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xsf h GLY 96 CO 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 176.44 1xsf h ALA 97 N 1.80 0.93 -2.89 3.60 0.00 -1.91 -3.41 119.26 117.39 1xsf h ALA 97 Ca -0.00 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.20 1xsf h ALA 97 Cb 0.45 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.97 1xsf h ALA 97 CO 0.03 0.00 -0.52 -1.58 0.00 0.00 0.00 179.25 177.18 1xsf s TRP 98 N -3.12 3.29 0.00 0.00 0.51 -0.16 -5.08 118.94 114.37 1xsf s TRP 98 Ca 0.10 -1.32 0.00 0.00 -2.12 0.00 0.00 56.10 52.76 1xsf s TRP 98 Cb 0.12 -2.60 0.00 0.00 -0.81 0.00 0.00 33.47 30.18 1xsf s TRP 98 CO 0.62 -0.75 0.00 -2.30 -0.51 0.00 0.00 176.95 174.01 1xsf n PRO 99 N 4.92 2.53 0.13 4.98 -0.02 -1.26 -3.91 135.00 142.36 1xsf n PRO 99 Ca -0.11 0.00 0.19 0.00 -2.02 0.00 0.00 63.50 61.56 1xsf n PRO 99 Cb 0.44 0.00 0.77 0.00 -0.02 0.00 0.00 33.50 34.69 1xsf n PRO 99 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1xsf h VAL 100 N 0.00 0.49 -0.70 -1.45 -1.51 -1.98 0.14 116.25 111.23 1xsf h VAL 100 Ca 0.00 0.00 0.09 0.00 -1.23 0.00 0.00 66.70 65.56 1xsf h VAL 100 Cb 0.00 0.75 -0.05 0.00 -2.13 0.00 0.00 31.29 29.86 1xsf h VAL 100 CO 0.00 0.00 0.47 0.00 -1.23 0.00 0.00 177.57 176.81 1xsf h ALA 102 N 1.64 0.20 -0.75 0.00 0.00 -0.83 -1.70 119.26 117.83 1xsf h ALA 102 Ca 0.32 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1xsf h ALA 102 Cb 0.47 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1xsf h ALA 102 CO -0.11 0.15 0.49 0.00 0.00 0.00 0.00 179.25 179.78 1xsf h ALA 103 N 0.56 0.96 0.00 0.00 0.00 -1.44 0.82 119.26 120.16 1xsf h ALA 103 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xsf h ALA 103 Cb 0.78 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xsf h ALA 103 CO 0.05 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.62 1xsf h ARG 104 N 0.97 0.00 0.00 0.00 3.08 -0.69 -2.82 114.38 114.92 1xsf h ARG 104 Ca 0.28 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 1xsf h ARG 104 Cb -0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1xsf h ARG 104 CO -0.08 0.00 -1.66 0.00 -1.07 0.00 0.00 179.97 177.16 1xsf n ALA 105 N -2.06 2.66 0.00 0.04 0.00 -0.28 -4.93 120.51 115.94 1xsf n ALA 105 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1xsf n ALA 105 Cb 0.23 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 1.25 0.71 3.67 0.00 0.00 0.10 -4.40 105.19 106.53 1xsf n GLY 106 Ca -0.04 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 1xsf n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsf n ALA 107 N 0.00 0.69 -0.75 4.61 0.00 -0.17 -4.93 120.51 119.95 1xsf n ALA 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xsf n ALA 107 Cb 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.23 1xsf n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04