#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsf n VAL 2 N 0.00 1.18 -2.55 2.41 0.31 -1.26 -4.83 118.33 113.58 1xsf n VAL 2 Ca 0.00 0.16 -0.43 0.00 -0.01 0.00 0.00 64.34 64.06 1xsf n VAL 2 Cb 0.00 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.07 1xsf n VAL 2 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1xsf n VAL 3 N -3.84 4.03 -4.79 2.52 0.31 -1.26 -4.91 118.33 110.40 1xsf n VAL 3 Ca -0.12 -4.20 -0.25 0.00 -0.01 0.00 0.00 64.34 59.76 1xsf n VAL 3 Cb 0.36 -2.43 -0.15 0.00 -0.91 0.00 0.00 33.84 30.72 1xsf n VAL 3 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1xsf s VAL 4 N 2.71 1.54 -0.29 2.52 1.01 -1.26 -5.12 120.40 121.51 1xsf s VAL 4 Ca 0.47 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1xsf s VAL 4 Cb 0.04 -1.31 0.09 0.00 0.00 0.00 0.00 36.38 35.20 1xsf s VAL 4 CO 0.02 0.32 0.05 0.42 0.00 0.00 0.00 175.10 175.91 1xsf s THR 5 N -0.60 1.29 0.17 3.92 -4.23 -1.26 -5.10 115.64 109.82 1xsf s THR 5 Ca 0.07 -1.51 -0.30 0.00 -1.18 0.00 0.00 61.69 58.77 1xsf s THR 5 Cb -0.08 -1.87 -0.07 0.00 1.34 0.00 0.00 72.50 71.82 1xsf s THR 5 CO 0.00 -0.51 1.00 -2.84 -0.54 0.00 0.00 174.62 171.74 1xsf s PRO 6 N 1.43 4.70 -1.48 3.99 0.02 -1.26 -3.23 135.00 139.17 1xsf s PRO 6 Ca 0.06 1.55 -0.11 0.00 0.02 0.00 0.00 61.00 62.53 1xsf s PRO 6 Cb -0.18 -3.32 0.06 0.00 0.02 0.00 0.00 34.50 31.09 1xsf s PRO 6 CO -0.16 0.24 0.95 0.00 -0.33 0.00 0.00 177.00 177.69 1xsf n ALA 7 N 2.32 -1.43 0.38 -1.55 0.00 -1.26 -4.84 120.51 114.13 1xsf n ALA 7 Ca 0.01 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.71 1xsf n ALA 7 Cb 0.48 -4.08 0.50 0.00 0.00 0.00 0.00 19.45 16.35 1xsf n ALA 7 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1xsf n HIS 8 N -4.63 0.82 -3.46 0.00 -0.00 -1.20 -4.55 115.22 102.19 1xsf n HIS 8 Ca -0.03 0.33 -0.37 0.00 0.46 0.00 0.00 57.72 58.11 1xsf n HIS 8 Cb 0.56 -1.03 -0.07 0.00 -0.12 0.00 0.00 29.99 29.33 1xsf n HIS 8 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 1xsf s GLU 9 N -3.34 4.23 -0.52 1.57 -1.05 -1.26 -5.01 118.70 113.33 1xsf s GLU 9 Ca 0.04 0.16 0.07 0.00 -0.15 0.00 0.00 54.97 55.09 1xsf s GLU 9 Cb 0.09 -3.47 0.28 0.00 -0.44 0.00 0.00 34.13 30.58 1xsf s GLU 9 CO 0.38 0.12 0.71 0.00 0.95 0.00 0.00 175.26 177.41 1xsf n ALA 10 N 3.96 3.41 -0.19 -0.84 0.00 -1.26 -4.88 120.51 120.71 1xsf n ALA 10 Ca -0.10 -4.17 -0.05 0.00 0.00 0.00 0.00 53.44 49.11 1xsf n ALA 10 Cb 0.52 -0.85 0.12 0.00 0.00 0.00 0.00 19.45 19.24 1xsf n ALA 10 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1xsf h VAL 11 N 2.52 1.25 -1.15 0.00 3.04 -1.97 -3.46 116.25 116.48 1xsf h VAL 11 Ca 0.14 -0.91 0.00 0.00 -1.01 0.00 0.00 66.70 64.91 1xsf h VAL 11 Cb 0.74 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1xsf h VAL 11 CO 0.68 0.34 0.00 0.52 -1.01 0.00 0.00 177.57 178.10 1xsf n VAL 12 N -4.25 0.00 -3.63 1.51 0.31 -1.26 -4.86 118.33 106.15 1xsf n VAL 12 Ca 0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.27 1xsf n VAL 12 Cb 0.25 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.11 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 -0.41 0.77 0.49 5.55 0.52 -1.26 -5.15 118.95 119.46 1xsf s ARG 13 Ca 0.00 1.08 -0.21 0.00 -0.52 0.00 0.00 55.73 56.08 1xsf s ARG 13 Cb 0.00 0.29 -0.07 0.00 0.52 0.00 0.00 34.95 35.69 1xsf s ARG 13 CO 0.00 -0.12 1.10 0.08 0.02 0.00 0.00 175.30 176.38 1xsf s VAL 14 N 0.90 3.40 -0.67 3.52 1.01 -1.26 -4.96 120.40 122.34 1xsf s VAL 14 Ca -0.04 0.93 0.03 0.00 0.00 0.00 0.00 61.98 62.90 1xsf s VAL 14 Cb -0.05 -3.41 0.35 0.00 0.00 0.00 0.00 36.38 33.27 1xsf s VAL 14 CO -0.08 -0.13 1.24 0.61 0.00 0.00 0.00 175.10 176.74 1xsf n GLY 15 N 0.12 5.79 0.20 4.51 0.00 -1.26 -4.69 105.19 109.87 1xsf n GLY 15 Ca 0.09 -2.72 -0.09 0.00 0.00 0.00 0.00 46.02 43.30 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 2.68 1.35 -2.57 2.61 2.02 -2.05 -3.43 112.91 113.52 1xsf h THR 16 Ca 0.28 -1.91 -0.55 0.00 0.77 0.00 0.00 66.41 65.00 1xsf h THR 16 Cb 0.50 1.90 -0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1xsf h THR 16 CO 0.94 0.58 1.12 -1.59 0.37 0.00 0.00 175.52 176.94 1xsf s LYS 17 N -3.86 4.16 0.69 6.66 0.00 -1.26 -5.01 119.74 121.12 1xsf s LYS 17 Ca -0.06 2.25 -0.12 0.00 0.00 0.00 0.00 55.97 58.04 1xsf s LYS 17 Cb 0.11 -4.02 0.17 0.00 0.00 0.00 0.00 37.83 34.09 1xsf s LYS 17 CO 0.83 -0.89 0.62 -2.30 0.00 0.00 0.00 175.35 173.62 1xsf n PRO 18 N 7.23 -2.18 0.26 1.78 -0.02 -1.26 -4.82 135.00 135.98 1xsf n PRO 18 Ca 0.18 -1.00 0.10 0.00 -2.02 0.00 0.00 63.50 60.76 1xsf n PRO 18 Cb 0.43 -0.92 0.68 0.00 -0.02 0.00 0.00 33.50 33.66 1xsf n PRO 18 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1xsf h GLY 19 N -1.74 0.00 0.85 -1.23 0.00 -1.99 -1.37 103.07 97.58 1xsf h GLY 19 Ca -0.23 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.14 1xsf h GLY 19 CO 0.15 0.00 0.60 -0.84 0.00 0.00 0.00 176.54 176.46 1xsf h THR 20 N 0.00 1.14 -6.07 4.70 2.02 -2.01 -3.47 112.91 109.21 1xsf h THR 20 Ca -0.00 -0.40 -0.36 0.00 0.77 0.00 0.00 66.41 66.42 1xsf h THR 20 Cb 0.15 -0.12 0.01 0.00 -1.74 0.00 0.00 68.15 66.46 1xsf h THR 20 CO 0.01 0.21 -1.04 -0.62 0.37 0.00 0.00 175.52 174.45 1xsf n GLU 21 N -4.51 -1.60 -3.23 6.66 1.02 -0.52 -4.95 120.64 113.51 1xsf n GLU 21 Ca 0.12 1.10 -0.39 0.00 -0.02 0.00 0.00 57.16 57.98 1xsf n GLU 21 Cb 0.11 -1.76 -0.06 0.00 -0.02 0.00 0.00 31.44 29.71 1xsf n GLU 21 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1xsf s VAL 22 N -1.59 5.10 0.15 2.62 0.11 -1.26 -5.05 120.40 120.48 1xsf s VAL 22 Ca 0.27 1.01 -0.34 0.00 -2.93 0.00 0.00 61.98 59.98 1xsf s VAL 22 Cb -0.03 -3.86 -0.14 0.00 -1.53 0.00 0.00 36.38 30.82 1xsf s VAL 22 CO 0.76 0.19 1.58 -2.65 -3.33 0.00 0.00 175.10 171.65 1xsf n PRO 23 N 4.63 2.10 -1.68 1.54 -0.02 -1.26 -4.89 135.00 135.42 1xsf n PRO 23 Ca -0.04 0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 1xsf n PRO 23 Cb 0.50 -2.52 -0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 3.51 1.98 -4.32 0.52 -0.04 -1.26 -5.02 135.00 130.38 1xsf n PRO 24 Ca 0.17 0.70 -0.28 0.00 -0.04 0.00 0.00 63.50 64.05 1xsf n PRO 24 Cb 0.28 -2.27 -0.11 0.00 -0.04 0.00 0.00 33.50 31.36 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 2.82 0.23 0.52 1.01 -1.26 -5.04 120.40 117.57 1xsf s VAL 25 Ca 0.57 -1.63 -0.06 0.00 0.00 0.00 0.00 61.98 60.86 1xsf s VAL 25 Cb -0.57 -2.33 0.20 0.00 0.00 0.00 0.00 36.38 33.68 1xsf s VAL 25 CO 0.61 0.02 1.82 0.40 0.00 0.00 0.00 175.10 177.95 1xsf h ILE 26 N 3.32 0.95 0.00 2.22 5.03 -2.00 -2.66 117.51 124.36 1xsf h ILE 26 Ca -0.49 -0.27 0.00 0.00 -0.12 0.00 0.00 64.86 63.98 1xsf h ILE 26 Cb 1.18 0.08 0.00 0.00 -3.03 0.00 0.00 36.82 35.05 1xsf h ILE 26 CO 0.48 0.15 -0.00 0.47 -0.68 0.00 0.00 178.15 178.56 1xsf n ASP 27 N -4.73 1.72 0.14 1.72 8.00 -1.26 -4.67 116.55 117.47 1xsf n ASP 27 Ca 0.12 -1.92 0.09 0.00 0.71 0.00 0.00 54.79 53.80 1xsf n ASP 27 Cb 0.23 -0.02 0.50 0.00 -0.02 0.00 0.00 41.12 41.80 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 -0.47 -0.83 0.17 0.44 0.00 -1.00 -0.37 105.19 103.12 1xsf n GLY 28 Ca 0.01 0.17 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 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 0.74 -0.40 1.61 0.02 -1.83 -2.39 113.55 111.30 1xsf h SER 29 Ca 0.00 -0.78 -0.10 0.00 -0.84 0.00 0.00 61.79 60.06 1xsf h SER 29 Cb 0.02 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1xsf h SER 29 CO 0.00 1.43 -0.13 0.40 -1.14 0.00 0.00 176.83 177.39 1xsf h ILE 30 N 0.13 1.26 -0.36 3.27 1.08 -0.93 -1.74 117.51 120.21 1xsf h ILE 30 Ca -0.13 -1.23 -0.09 0.00 -0.39 0.00 0.00 64.86 63.02 1xsf h ILE 30 Cb 1.61 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 36.38 1xsf h ILE 30 CO 0.18 0.43 -0.14 -0.50 -0.69 0.00 0.00 178.15 177.43 1xsf h TRP 31 N 0.78 0.71 -0.26 1.37 -0.00 -1.34 0.28 115.95 117.48 1xsf h TRP 31 Ca 0.12 -0.13 -0.12 0.00 -0.00 0.00 0.00 58.89 58.77 1xsf h TRP 31 Cb 0.65 -0.18 -0.00 0.00 -0.00 0.00 0.00 29.16 29.62 1xsf h TRP 31 CO 0.04 0.75 -0.30 0.22 -0.00 0.00 0.00 178.44 179.15 1xsf h ASP 32 N 0.59 0.72 0.09 -3.49 3.58 -1.11 -0.54 116.42 116.25 1xsf h ASP 32 Ca 0.10 -0.49 -0.12 0.00 0.42 0.00 0.00 57.03 56.94 1xsf h ASP 32 Cb 0.57 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1xsf h ASP 32 CO 0.04 1.06 -0.41 0.00 -2.88 0.00 0.00 179.24 177.04 1xsf h ALA 33 N 0.68 0.96 -0.54 -0.78 0.00 -0.90 -0.37 119.26 118.32 1xsf h ALA 33 Ca 0.04 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1xsf h ALA 33 Cb 0.87 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1xsf h ALA 33 CO 0.07 0.62 0.25 0.82 0.00 0.00 0.00 179.25 181.01 1xsf h ILE 34 N 0.34 1.20 -0.44 0.00 2.04 -0.37 -1.26 117.51 119.03 1xsf h ILE 34 Ca 0.03 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 1xsf h ILE 34 Cb 0.87 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1xsf h ILE 34 CO 0.07 0.23 0.19 0.00 0.00 0.00 0.00 178.15 178.64 1xsf h ALA 35 N 1.09 1.50 0.00 1.87 0.00 -0.70 -0.93 119.26 122.08 1xsf h ALA 35 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xsf h ALA 35 Cb 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xsf h ALA 35 CO -0.02 0.39 0.00 0.78 0.00 0.00 0.00 179.25 180.40 1xsf h GLY 36 N 0.76 0.00 0.00 0.00 0.00 -0.40 0.13 103.07 103.56 1xsf h GLY 36 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1xsf h GLY 36 CO -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.46 1xsf h GLU 38 N -0.81 0.12 0.00 0.00 4.57 -1.59 -3.36 114.58 113.50 1xsf h GLU 38 Ca 0.00 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 1xsf h GLU 38 Cb 0.07 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1xsf h GLU 38 CO 0.00 0.82 -1.01 0.00 -1.18 0.00 0.00 179.01 177.64 1xsf n ALA 39 N -2.69 4.56 -1.09 2.92 0.00 -0.73 -4.93 120.51 118.56 1xsf n ALA 39 Ca -0.20 -0.57 -0.03 0.00 0.00 0.00 0.00 53.44 52.63 1xsf n ALA 39 Cb 1.04 -0.80 -0.01 0.00 0.00 0.00 0.00 19.45 19.68 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 1.49 0.61 1.57 0.00 0.00 -0.87 -3.36 105.19 104.63 1xsf n GLY 40 Ca 0.04 -0.49 -0.01 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.23 0.63 2.60 -0.02 0.00 0.36 -4.81 105.19 101.74 1xsf n GLY 41 Ca -0.03 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.85 2.58 0.00 1.61 3.04 -1.21 -4.95 114.94 113.15 1xsf s ASN 42 Ca 0.02 -1.47 0.28 0.00 0.04 0.00 0.00 52.86 51.73 1xsf s ASN 42 Cb -0.00 -0.02 1.55 0.00 -1.54 0.00 0.00 41.25 41.24 1xsf s ASN 42 CO 0.03 -0.36 2.01 0.79 -3.04 0.00 0.00 177.10 176.52 1xsf n TRP 43 N 4.76 0.00 -0.51 0.43 7.02 -1.26 -0.70 117.44 127.19 1xsf n TRP 43 Ca 0.03 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.57 1xsf n TRP 43 Cb 0.42 -0.16 0.17 0.00 -2.42 0.00 0.00 31.31 29.32 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 -1.16 2.45 -1.78 6.99 0.00 -1.26 -3.69 120.51 122.06 1xsf n ALA 44 Ca 0.17 -1.64 -0.37 0.00 0.00 0.00 0.00 53.44 51.60 1xsf n ALA 44 Cb 0.17 -0.48 -0.04 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.78 3.74 -0.39 0.00 2.07 -1.05 -4.80 121.20 118.99 1xsf s ILE 45 Ca 0.28 1.39 0.03 0.00 -1.41 0.00 0.00 60.65 60.94 1xsf s ILE 45 Cb 0.20 -3.75 0.16 0.00 0.13 0.00 0.00 42.46 39.20 1xsf s ILE 45 CO 0.11 0.07 0.38 0.21 -1.91 0.00 0.00 174.94 173.79 1xsf s ASN 46 N -1.48 1.17 0.39 4.50 3.84 -1.26 0.60 114.94 122.70 1xsf s ASN 46 Ca 0.55 -1.92 0.16 0.00 0.21 0.00 0.00 52.86 51.87 1xsf s ASN 46 Cb -0.23 0.41 0.80 0.00 -0.55 0.00 0.00 41.25 41.68 1xsf s ASN 46 CO 0.29 -0.23 1.83 0.71 -2.79 0.00 0.00 177.10 176.90 1xsf h THR 47 N 4.95 1.07 0.00 -5.21 1.35 -1.96 -3.46 112.91 109.65 1xsf h THR 47 Ca 0.09 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1xsf h THR 47 Cb 1.03 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1xsf h THR 47 CO 0.21 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 1xsf n GLY 48 N -0.27 1.00 0.92 5.82 0.00 -1.26 -4.98 105.19 106.42 1xsf n GLY 48 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 2.66 0.00 1.61 6.94 -1.26 -4.87 115.26 120.35 1xsf n ASN 49 Ca 0.00 -2.04 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 1xsf n ASN 49 Cb 0.00 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.08 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 1.21 1.73 3.69 4.83 0.00 -1.26 -5.01 105.19 110.38 1xsf n GLY 50 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.40 2.73 0.34 1.61 1.51 -1.26 -2.21 117.35 117.67 1xsf s TYR 51 Ca 0.00 -0.28 0.05 0.00 -1.01 0.00 0.00 57.07 55.83 1xsf s TYR 51 Cb 0.00 -1.39 -0.07 0.00 -0.11 0.00 0.00 41.96 40.39 1xsf s TYR 51 CO 0.00 0.50 0.04 0.71 -1.11 0.00 0.00 175.55 175.69 1xsf s TYR 52 N -2.35 2.11 0.91 2.71 1.51 -0.93 -4.56 117.35 116.75 1xsf s TYR 52 Ca 0.34 -0.87 -0.10 0.00 -1.01 0.00 0.00 57.07 55.43 1xsf s TYR 52 Cb -0.05 -1.40 0.15 0.00 -0.11 0.00 0.00 41.96 40.54 1xsf s TYR 52 CO 0.21 0.14 1.15 0.20 -1.11 0.00 0.00 175.55 176.14 1xsf s GLY 53 N -3.54 1.69 0.00 0.71 0.00 0.20 -2.40 107.32 103.97 1xsf s GLY 53 Ca 0.36 0.59 0.00 0.00 0.00 0.00 0.00 44.72 45.67 1xsf s GLY 53 CO 0.16 1.01 0.00 0.61 0.00 0.00 0.00 173.10 174.88 1xsf n GLY 54 N 0.19 1.22 0.66 0.20 0.00 0.12 -4.17 105.19 103.42 1xsf n GLY 54 Ca 0.12 -0.68 0.04 0.00 0.00 0.00 0.00 46.02 45.50 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 0.56 -3.05 1.61 0.31 -1.26 -3.68 118.33 112.82 1xsf n VAL 55 Ca 0.00 -0.40 -0.20 0.00 -0.01 0.00 0.00 64.34 63.73 1xsf n VAL 55 Cb 0.00 -0.01 -0.00 0.00 -0.91 0.00 0.00 33.84 32.92 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 0.26 -3.23 -4.14 5.55 0.00 -1.01 -4.94 117.38 109.88 1xsf n GLN 56 Ca 0.09 0.55 -0.24 0.00 0.00 0.00 0.00 57.00 57.40 1xsf n GLN 56 Cb 0.34 -5.24 -0.07 0.00 0.00 0.00 0.00 30.24 25.27 1xsf n GLN 56 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 1xsf s PHE 57 N -2.85 2.61 0.63 2.61 -0.71 -1.25 -4.63 117.98 114.39 1xsf s PHE 57 Ca 0.27 -0.55 -0.08 0.00 -1.04 0.00 0.00 56.93 55.53 1xsf s PHE 57 Cb -0.14 -1.88 0.01 0.00 -1.21 0.00 0.00 43.02 39.80 1xsf s PHE 57 CO 0.33 0.23 0.97 0.16 -1.34 0.00 0.00 175.22 175.57 1xsf s ASP 58 N -3.88 5.56 0.22 1.98 -4.77 -1.26 -2.20 116.67 112.31 1xsf s ASP 58 Ca 0.40 0.88 -0.07 0.00 -3.30 0.00 0.00 52.55 50.47 1xsf s ASP 58 Cb 0.03 -1.81 0.19 0.00 -1.09 0.00 0.00 42.92 40.24 1xsf s ASP 58 CO 0.22 -1.16 1.78 -0.61 0.70 0.00 0.00 175.17 176.11 1xsf h GLN 59 N -0.35 1.15 -0.13 2.11 5.75 -1.83 -0.93 115.11 120.88 1xsf h GLN 59 Ca -0.45 -0.22 -0.02 0.00 -0.15 0.00 0.00 58.65 57.81 1xsf h GLN 59 Cb 1.25 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 29.62 1xsf h GLN 59 CO 0.62 0.94 0.01 0.78 -2.65 0.00 0.00 178.83 178.54 1xsf h GLY 60 N 1.14 0.24 1.01 2.39 0.00 -1.94 0.46 103.07 106.36 1xsf h GLY 60 Ca 0.25 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.36 1xsf h GLY 60 CO -0.02 0.15 0.12 -0.84 0.00 0.00 0.00 176.54 175.95 1xsf h THR 61 N -0.02 1.25 -0.17 4.70 2.02 -1.95 0.21 112.91 118.95 1xsf h THR 61 Ca 0.04 -0.92 0.03 0.00 0.77 0.00 0.00 66.41 66.33 1xsf h THR 61 Cb 0.32 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 1xsf h THR 61 CO 0.00 0.34 -0.02 -0.25 0.37 0.00 0.00 175.52 175.96 1xsf h TRP 62 N 0.80 -0.05 -0.18 3.16 2.91 -0.95 -0.59 115.95 121.05 1xsf h TRP 62 Ca 0.17 0.01 -0.10 0.00 1.13 0.00 0.00 58.89 60.11 1xsf h TRP 62 Cb 0.37 0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.06 1xsf h TRP 62 CO 0.03 -0.05 -0.31 1.49 -1.03 0.00 0.00 178.44 178.57 1xsf h GLU 63 N 0.03 0.36 -0.53 2.65 4.22 0.11 0.44 114.58 121.86 1xsf h GLU 63 Ca 0.08 -0.14 -0.10 0.00 0.08 0.00 0.00 59.36 59.28 1xsf h GLU 63 Cb 0.12 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1xsf h GLU 63 CO -0.16 0.63 -0.07 0.00 -2.18 0.00 0.00 179.01 177.24 1xsf h ALA 64 N 1.37 0.72 -0.00 2.92 0.00 0.02 -1.50 119.26 122.78 1xsf h ALA 64 Ca 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xsf h ALA 64 Cb 0.70 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1xsf h ALA 64 CO 0.05 0.60 -0.03 0.09 0.00 0.00 0.00 179.25 179.96 1xsf n ASN 65 N -4.22 0.39 -0.94 0.00 5.03 -0.28 -4.92 115.26 110.32 1xsf n ASN 65 Ca 0.01 -0.89 0.00 0.00 0.87 0.00 0.00 54.58 54.57 1xsf n ASN 65 Cb 0.37 -0.05 0.00 0.00 -1.02 0.00 0.00 39.78 39.08 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 1.13 0.50 0.19 7.41 0.00 -0.53 -4.92 105.19 108.96 1xsf n GLY 66 Ca 0.20 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.35 -3.33 103.07 101.37 1xsf h GLY 67 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1xsf h GLY 67 CO 0.00 0.00 -0.04 1.41 0.00 0.00 0.00 176.54 177.91 1xsf h LEU 68 N 0.00 0.00 -1.29 3.11 4.07 -1.78 0.41 115.31 119.83 1xsf h LEU 68 Ca 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 1xsf h LEU 68 Cb 0.94 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.67 1xsf h LEU 68 CO 0.00 0.04 -0.35 0.08 -1.08 0.00 0.00 178.44 177.13 1xsf h ARG 69 N 0.00 0.00 0.09 1.13 0.11 -1.98 -1.70 114.38 112.04 1xsf h ARG 69 Ca -0.00 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.82 1xsf h ARG 69 Cb 0.07 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.15 1xsf h ARG 69 CO 0.00 0.35 -1.16 1.88 0.10 0.00 0.00 179.97 181.14 1xsf h TYR 70 N 0.00 0.41 0.00 4.08 -1.99 -0.58 -3.48 116.97 115.41 1xsf h TYR 70 Ca -0.00 -0.29 0.00 0.00 2.00 0.00 0.00 58.73 60.44 1xsf h TYR 70 Cb 0.66 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.37 1xsf h TYR 70 CO 0.00 1.21 0.00 0.00 -0.00 0.00 0.00 178.16 179.37 1xsf n ALA 71 N -2.50 0.00 0.00 3.88 0.00 0.53 -4.56 120.51 117.86 1xsf n ALA 71 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1xsf n ALA 71 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.43 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 -1.03 -3.54 135.00 126.64 1xsf n PRO 72 Ca 0.00 0.24 -0.13 0.00 -2.02 0.00 0.00 63.50 61.59 1xsf n PRO 72 Cb 0.00 -1.57 -0.12 0.00 -0.02 0.00 0.00 33.50 31.80 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 -2.39 0.28 0.60 -0.52 1.70 -1.26 -4.77 118.95 112.58 1xsf s ARG 73 Ca 0.00 0.37 0.35 0.00 -0.47 0.00 0.00 55.73 55.98 1xsf s ARG 73 Cb 0.00 0.10 1.93 0.00 -0.57 0.00 0.00 34.95 36.41 1xsf s ARG 73 CO 0.00 -0.05 2.24 0.00 -1.08 0.00 0.00 175.30 176.41 1xsf h ALA 74 N 5.97 1.26 -0.00 7.88 0.00 -1.88 -0.47 119.26 132.02 1xsf h ALA 74 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.61 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 0.36 0.03 -0.19 -0.40 0.00 0.00 0.00 179.25 179.05 1xsf n ASP 75 N -3.49 0.36 -0.08 0.00 5.75 -1.24 -3.06 116.55 114.78 1xsf n ASP 75 Ca -0.03 -0.18 -0.11 0.00 -0.01 0.00 0.00 54.79 54.46 1xsf n ASP 75 Cb 0.13 -0.10 -0.15 0.00 -1.03 0.00 0.00 41.12 39.96 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 -1.25 0.60 -4.84 -2.12 7.94 -0.27 -4.42 117.00 112.65 1xsf n LEU 76 Ca 0.10 0.08 -0.32 0.00 -1.11 0.00 0.00 56.01 54.75 1xsf n LEU 76 Cb 0.31 0.22 -0.02 0.00 0.53 0.00 0.00 43.42 44.46 1xsf n LEU 76 CO 0.28 0.54 0.69 0.00 -1.11 0.00 0.00 177.39 177.79 1xsf s ALA 77 N -2.52 2.99 0.32 1.96 0.00 -0.71 -4.95 121.76 118.84 1xsf s ALA 77 Ca -0.12 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.07 1xsf s ALA 77 Cb 0.07 -3.14 0.04 0.00 0.00 0.00 0.00 23.12 20.09 1xsf s ALA 77 CO 0.80 -0.44 0.35 0.25 0.00 0.00 0.00 175.76 176.72 1xsf n THR 78 N -1.84 0.00 -0.04 0.00 -2.24 -1.26 -4.74 114.28 104.16 1xsf n THR 78 Ca 0.07 -0.74 -0.09 0.00 -2.27 0.00 0.00 64.05 61.02 1xsf n THR 78 Cb 0.54 -0.91 -0.02 0.00 -2.10 0.00 0.00 70.33 67.83 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 -0.27 -0.39 -0.78 3.08 -1.97 0.27 114.38 114.33 1xsf h ARG 79 Ca -0.12 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1xsf h ARG 79 Cb 0.50 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1xsf h ARG 79 CO 0.15 -0.18 0.18 1.05 -1.07 0.00 0.00 179.97 180.10 1xsf h GLU 80 N -0.28 0.56 0.22 0.04 9.09 -1.97 0.34 114.58 122.58 1xsf h GLU 80 Ca 0.13 -0.08 -0.01 0.00 0.05 0.00 0.00 59.36 59.44 1xsf h GLU 80 Cb 0.48 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 27.48 1xsf h GLU 80 CO -0.38 0.50 -0.11 0.93 0.05 0.00 0.00 179.01 180.00 1xsf h GLU 81 N 0.48 -0.29 -0.15 1.06 3.07 -1.82 -1.50 114.58 115.43 1xsf h GLU 81 Ca 0.13 0.02 -0.13 0.00 -0.50 0.00 0.00 59.36 58.89 1xsf h GLU 81 Cb 0.13 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1xsf h GLU 81 CO -0.02 -0.16 -0.45 0.37 -1.40 0.00 0.00 179.01 177.35 1xsf h GLN 82 N -0.34 0.37 -0.67 2.33 4.15 -0.31 -2.09 115.11 118.54 1xsf h GLN 82 Ca -0.03 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.19 1xsf h GLN 82 Cb 0.26 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 1xsf h GLN 82 CO 0.05 0.76 0.42 0.82 -1.93 0.00 0.00 178.83 178.94 1xsf h ILE 83 N 0.30 1.18 -0.67 2.39 2.04 -0.27 -1.35 117.51 121.13 1xsf h ILE 83 Ca 0.02 -0.38 -0.07 0.00 1.00 0.00 0.00 64.86 65.43 1xsf h ILE 83 Cb 0.92 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1xsf h ILE 83 CO 0.08 0.19 0.15 0.00 0.00 0.00 0.00 178.15 178.57 1xsf h ALA 84 N 1.22 1.00 -0.03 1.87 0.00 -0.59 0.56 119.26 123.29 1xsf h ALA 84 Ca 0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xsf h ALA 84 Cb -0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1xsf h ALA 84 CO -0.05 0.65 -0.02 0.28 0.00 0.00 0.00 179.25 180.11 1xsf h VAL 85 N 1.02 1.33 -0.13 0.00 2.07 -1.34 -2.69 116.25 116.50 1xsf h VAL 85 Ca 0.21 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.77 1xsf h VAL 85 Cb 0.37 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1xsf h VAL 85 CO 0.00 0.27 0.09 0.00 0.02 0.00 0.00 177.57 177.96 1xsf h ALA 86 N 0.61 2.11 -0.58 1.67 0.00 -0.94 -1.79 119.26 120.33 1xsf h ALA 86 Ca 0.01 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1xsf h ALA 86 Cb 0.44 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1xsf h ALA 86 CO 0.00 -0.16 0.37 0.93 0.00 0.00 0.00 179.25 180.39 1xsf h GLU 87 N 0.00 0.72 -0.33 0.00 4.39 0.45 0.13 114.58 119.93 1xsf h GLU 87 Ca 0.06 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1xsf h GLU 87 Cb 0.25 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1xsf h GLU 87 CO -0.00 0.47 0.17 0.28 -1.16 0.00 0.00 179.01 178.77 1xsf h VAL 88 N 0.74 1.15 -0.14 3.13 2.07 -1.09 -3.13 116.25 118.98 1xsf h VAL 88 Ca 0.22 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1xsf h VAL 88 Cb -0.04 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1xsf h VAL 88 CO -0.07 0.15 0.09 0.74 0.02 0.00 0.00 177.57 178.50 1xsf h THR 89 N 0.40 1.04 -0.33 2.57 2.02 -1.04 -2.87 112.91 114.70 1xsf h THR 89 Ca 0.11 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 1xsf h THR 89 Cb 0.09 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1xsf h THR 89 CO -0.02 0.04 0.20 0.08 0.37 0.00 0.00 175.52 176.19 1xsf h ARG 90 N 0.19 0.45 0.00 6.66 -0.00 -0.76 -1.15 114.38 119.76 1xsf h ARG 90 Ca 0.05 -0.03 -0.04 0.00 -0.00 0.00 0.00 59.98 59.95 1xsf h ARG 90 Cb -0.02 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.97 29.85 1xsf h ARG 90 CO -0.01 0.32 -0.20 -0.07 -0.00 0.00 0.00 179.97 180.00 1xsf h LEU 91 N 0.46 0.00 0.00 0.08 3.38 -1.45 0.11 115.31 117.89 1xsf h LEU 91 Ca 0.12 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.88 1xsf h LEU 91 Cb -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1xsf h LEU 91 CO -0.02 0.20 -1.17 0.03 0.09 0.00 0.00 178.44 177.57 1xsf h ARG 92 N 0.00 0.00 0.00 1.13 3.08 -1.27 -3.41 114.38 113.92 1xsf h ARG 92 Ca -0.00 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1xsf h ARG 92 Cb 0.48 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1xsf h ARG 92 CO 0.03 1.00 -2.03 0.00 -1.07 0.00 0.00 179.97 177.90 1xsf n GLN 93 N -4.44 0.66 -1.96 0.04 0.00 -0.97 -5.02 117.38 105.70 1xsf n GLN 93 Ca -0.31 -0.11 0.00 0.00 0.00 0.00 0.00 57.00 56.58 1xsf n GLN 93 Cb 0.67 -1.55 0.00 0.00 0.00 0.00 0.00 30.24 29.36 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 0.59 2.54 2.61 0.00 0.38 -3.33 105.19 109.37 1xsf n GLY 94 Ca -0.12 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.30 -0.15 0.32 1.61 7.02 -1.25 -4.82 117.44 118.87 1xsf n TRP 95 Ca 0.00 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.61 1xsf n TRP 95 Cb 0.46 -3.47 0.31 0.00 -2.42 0.00 0.00 31.31 26.19 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 1.70 6.99 0.00 -1.90 -3.15 103.07 106.70 1xsf h GLY 96 Ca -0.42 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.66 1xsf h GLY 96 CO 0.60 0.00 -1.21 0.00 0.00 0.00 0.00 176.54 175.94 1xsf h ALA 97 N 2.12 0.34 -2.68 3.60 0.00 -1.88 -3.41 119.26 117.36 1xsf h ALA 97 Ca 0.00 -1.00 -0.72 0.00 0.00 0.00 0.00 54.91 53.19 1xsf h ALA 97 Cb 0.84 0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.37 1xsf h ALA 97 CO 0.00 1.22 -0.43 -1.58 0.00 0.00 0.00 179.25 178.46 1xsf s TRP 98 N -2.67 3.34 0.00 0.00 0.51 -1.19 -5.03 118.94 113.89 1xsf s TRP 98 Ca -0.02 -1.51 0.00 0.00 -2.12 0.00 0.00 56.10 52.45 1xsf s TRP 98 Cb 0.09 -3.10 0.00 0.00 -0.81 0.00 0.00 33.47 29.64 1xsf s TRP 98 CO 0.84 -0.87 0.00 -2.30 -0.51 0.00 0.00 176.95 174.11 1xsf n PRO 99 N 4.96 0.00 0.17 4.98 -0.02 -1.26 -3.58 135.00 140.25 1xsf n PRO 99 Ca -0.10 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.40 1xsf n PRO 99 Cb 0.43 -0.06 0.30 0.00 -0.02 0.00 0.00 33.50 34.14 1xsf n PRO 99 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1xsf h VAL 100 N 0.00 1.27 -0.14 -1.45 3.04 -1.96 -2.87 116.25 114.14 1xsf h VAL 100 Ca 0.00 -1.60 -0.21 0.00 -1.01 0.00 0.00 66.70 63.88 1xsf h VAL 100 Cb 0.00 1.88 0.01 0.00 -2.01 0.00 0.00 31.29 31.16 1xsf h VAL 100 CO 0.00 0.45 -0.76 0.00 -1.01 0.00 0.00 177.57 176.25 1xsf h ALA 102 N 0.65 0.41 -0.48 0.00 0.00 -1.58 -0.90 119.26 117.35 1xsf h ALA 102 Ca -0.05 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.45 1xsf h ALA 102 Cb 1.38 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1xsf h ALA 102 CO 0.15 0.46 0.30 0.00 0.00 0.00 0.00 179.25 180.16 1xsf h ALA 103 N 0.68 0.61 0.00 0.00 0.00 -1.48 0.20 119.26 119.28 1xsf h ALA 103 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xsf h ALA 103 Cb 0.92 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1xsf h ALA 103 CO 0.08 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1xsf h ARG 104 N 0.60 0.00 0.00 0.00 -0.00 -1.21 -2.87 114.38 110.90 1xsf h ARG 104 Ca 0.18 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.62 1xsf h ARG 104 Cb -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 29.94 1xsf h ARG 104 CO -0.07 0.00 -1.30 0.00 0.00 0.00 0.00 179.97 178.60 1xsf n ALA 105 N -2.00 2.44 0.00 0.04 0.00 -0.35 -4.97 120.51 115.66 1xsf n ALA 105 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1xsf n ALA 105 Cb 0.32 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 0.65 3.75 0.00 0.00 0.51 -4.48 105.19 106.87 1xsf n GLY 106 Ca -0.03 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.95 2.60 0.00 4.61 0.00 -0.04 -4.91 121.76 123.07 1xsf s ALA 107 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1xsf s ALA 107 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1xsf s ALA 107 CO 0.00 -1.15 0.19 0.54 0.00 0.00 0.00 175.76 175.35