#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 0.00 -1.69 2.41 3.14 -1.26 -4.91 118.33 116.02 1xsf n VAL 2 Ca 0.00 -0.31 -0.42 0.00 -2.96 0.00 0.00 64.34 60.65 1xsf n VAL 2 Cb 0.00 0.38 -0.03 0.00 -1.06 0.00 0.00 33.84 33.13 1xsf n VAL 2 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1xsf s VAL 3 N -3.32 3.08 0.33 1.55 1.01 -1.26 -4.95 120.40 116.85 1xsf s VAL 3 Ca -0.02 0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.77 1xsf s VAL 3 Cb 0.15 -3.08 -0.10 0.00 0.00 0.00 0.00 36.38 33.36 1xsf s VAL 3 CO 0.89 -0.03 1.20 -0.69 0.00 0.00 0.00 175.10 176.48 1xsf s VAL 4 N 5.85 3.08 -0.14 2.92 1.01 -1.26 -4.98 120.40 126.88 1xsf s VAL 4 Ca 0.91 1.04 -0.27 0.00 0.00 0.00 0.00 61.98 63.66 1xsf s VAL 4 Cb -0.38 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1xsf s VAL 4 CO 0.38 0.21 0.88 0.42 0.00 0.00 0.00 175.10 176.99 1xsf s THR 5 N -1.22 4.86 0.19 3.92 -4.23 -1.26 -4.99 115.64 112.90 1xsf s THR 5 Ca 0.50 1.76 -0.31 0.00 -1.18 0.00 0.00 61.69 62.46 1xsf s THR 5 Cb -0.35 -4.19 -0.10 0.00 1.34 0.00 0.00 72.50 69.20 1xsf s THR 5 CO 0.45 0.03 1.58 -2.16 -0.54 0.00 0.00 174.62 173.98 1xsf s PRO 6 N 2.04 4.20 0.02 3.99 0.04 -1.26 -4.99 135.00 139.04 1xsf s PRO 6 Ca 0.42 2.41 0.00 0.00 0.04 0.00 0.00 61.00 63.87 1xsf s PRO 6 Cb -0.17 -3.12 -0.00 0.00 0.04 0.00 0.00 34.50 31.24 1xsf s PRO 6 CO 0.14 -0.61 0.02 0.00 0.04 0.00 0.00 177.00 176.59 1xsf n ALA 7 N 3.64 0.04 0.00 8.56 0.00 -1.26 -4.82 120.51 126.67 1xsf n ALA 7 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1xsf n ALA 7 Cb 0.38 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.04 0.00 -3.29 0.00 -0.00 -1.26 -4.96 115.22 105.66 1xsf n HIS 8 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.34 1xsf n HIS 8 Cb 0.04 -0.40 -0.06 0.00 -0.00 0.00 0.00 29.99 29.57 1xsf n HIS 8 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 1xsf s GLU 9 N 0.00 4.27 -0.44 1.57 -1.05 -1.26 -4.98 118.70 116.80 1xsf s GLU 9 Ca 0.00 0.57 0.07 0.00 -0.15 0.00 0.00 54.97 55.46 1xsf s GLU 9 Cb 0.00 -3.37 0.26 0.00 -0.44 0.00 0.00 34.13 30.58 1xsf s GLU 9 CO 0.00 0.32 0.76 0.00 0.95 0.00 0.00 175.26 177.29 1xsf n ALA 10 N 3.01 0.33 0.37 -0.84 0.00 -1.26 -5.01 120.51 117.10 1xsf n ALA 10 Ca -0.08 -2.30 -0.15 0.00 0.00 0.00 0.00 53.44 50.91 1xsf n ALA 10 Cb 0.51 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.80 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 2.48 0.00 -4.26 0.00 2.07 -2.04 -3.47 116.25 111.04 1xsf h VAL 11 Ca -0.05 -0.29 -0.14 0.00 0.82 0.00 0.00 66.70 67.05 1xsf h VAL 11 Cb 0.98 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1xsf h VAL 11 CO 0.37 0.00 -0.37 0.55 0.02 0.00 0.00 177.57 178.14 1xsf n VAL 12 N -5.41 -1.12 -2.90 2.57 3.14 -1.26 -4.81 118.33 108.54 1xsf n VAL 12 Ca -0.12 0.01 -0.43 0.00 -2.96 0.00 0.00 64.34 60.84 1xsf n VAL 12 Cb 0.38 -1.01 -0.04 0.00 -1.06 0.00 0.00 33.84 32.11 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 -1.61 3.22 0.23 1.45 0.52 -1.26 -4.99 118.95 116.52 1xsf s ARG 13 Ca 0.07 -1.12 0.11 0.00 -0.52 0.00 0.00 55.73 54.27 1xsf s ARG 13 Cb -0.01 -4.40 -0.05 0.00 0.52 0.00 0.00 34.95 31.01 1xsf s ARG 13 CO 0.28 -1.78 -0.14 0.08 0.02 0.00 0.00 175.30 173.76 1xsf s VAL 14 N 3.58 2.83 0.00 3.52 1.01 -1.26 -5.08 120.40 124.99 1xsf s VAL 14 Ca 0.23 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 60.18 1xsf s VAL 14 Cb -0.15 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1xsf s VAL 14 CO 0.05 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.50 1xsf n GLY 15 N -0.31 -2.12 0.12 4.51 0.00 -1.26 -5.01 105.19 101.11 1xsf n GLY 15 Ca -0.08 1.05 -0.20 0.00 0.00 0.00 0.00 46.02 46.79 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 1.49 -6.72 2.61 2.02 -2.05 -3.48 112.91 106.78 1xsf h THR 16 Ca 0.00 -2.55 -0.41 0.00 0.77 0.00 0.00 66.41 64.22 1xsf h THR 16 Cb 0.00 3.18 -0.01 0.00 -1.74 0.00 0.00 68.15 69.58 1xsf h THR 16 CO 0.00 0.73 -0.79 0.29 0.37 0.00 0.00 175.52 176.12 1xsf n LYS 17 N -4.09 -0.77 -1.81 6.66 4.01 -1.26 -4.88 118.16 116.03 1xsf n LYS 17 Ca -0.14 0.21 -0.31 0.00 -0.51 0.00 0.00 58.31 57.57 1xsf n LYS 17 Cb 0.85 -1.58 0.03 0.00 -0.51 0.00 0.00 35.03 33.82 1xsf n LYS 17 CO 0.00 0.00 0.00 -2.14 -1.11 0.00 0.00 177.40 174.15 1xsf s PRO 18 N -5.56 3.20 -0.25 1.97 0.02 -1.26 -4.99 135.00 128.13 1xsf s PRO 18 Ca 0.19 0.70 0.12 0.00 0.02 0.00 0.00 61.00 62.03 1xsf s PRO 18 Cb -0.11 -2.04 0.46 0.00 0.02 0.00 0.00 34.50 32.84 1xsf s PRO 18 CO 0.69 -0.84 1.18 0.41 -0.33 0.00 0.00 177.00 178.11 1xsf n GLY 19 N -2.65 4.85 0.26 0.52 0.00 -1.26 -4.83 105.19 102.08 1xsf n GLY 19 Ca 0.07 -1.96 -0.04 0.00 0.00 0.00 0.00 46.02 44.09 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 2.99 1.09 -3.38 2.61 2.02 -2.01 -3.40 112.91 112.83 1xsf h THR 20 Ca 0.15 -0.28 -0.37 0.00 0.77 0.00 0.00 66.41 66.68 1xsf h THR 20 Cb 1.41 0.19 -0.37 0.00 -1.74 0.00 0.00 68.15 67.65 1xsf h THR 20 CO 0.45 0.15 -0.75 -1.61 0.37 0.00 0.00 175.52 174.13 1xsf s GLU 21 N -6.12 0.20 0.09 6.66 2.02 -1.26 -5.13 118.70 115.16 1xsf s GLU 21 Ca -0.13 0.20 -0.31 0.00 0.02 0.00 0.00 54.97 54.76 1xsf s GLU 21 Cb 0.15 -0.58 -0.07 0.00 0.10 0.00 0.00 34.13 33.73 1xsf s GLU 21 CO 0.76 -0.25 1.25 0.08 0.02 0.00 0.00 175.26 177.13 1xsf s VAL 22 N 1.65 3.77 0.07 2.63 1.01 -1.26 -4.94 120.40 123.34 1xsf s VAL 22 Ca -0.01 1.30 -0.35 0.00 0.00 0.00 0.00 61.98 62.91 1xsf s VAL 22 Cb -0.13 -3.83 -0.15 0.00 0.00 0.00 0.00 36.38 32.28 1xsf s VAL 22 CO -0.03 0.11 1.55 -2.65 0.00 0.00 0.00 175.10 174.08 1xsf n PRO 23 N 3.77 1.75 -1.68 2.72 -0.02 -1.26 -4.83 135.00 135.44 1xsf n PRO 23 Ca 0.09 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 1xsf n PRO 23 Cb 0.45 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 3.68 1.93 -2.75 0.52 -0.04 -1.26 -4.97 135.00 132.12 1xsf n PRO 24 Ca 0.19 0.68 -0.40 0.00 -0.04 0.00 0.00 63.50 63.93 1xsf n PRO 24 Cb 0.24 -2.29 -0.06 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 -1.15 4.15 0.47 0.52 1.01 -1.26 -4.94 120.40 119.20 1xsf s VAL 25 Ca 0.58 2.09 0.26 0.00 0.00 0.00 0.00 61.98 64.91 1xsf s VAL 25 Cb -0.55 -4.33 0.30 0.00 0.00 0.00 0.00 36.38 31.80 1xsf s VAL 25 CO 0.60 0.46 2.12 0.40 0.00 0.00 0.00 175.10 178.68 1xsf h ILE 26 N 3.32 0.62 -0.02 2.22 1.08 -2.04 0.39 117.51 123.08 1xsf h ILE 26 Ca -0.45 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 63.64 1xsf h ILE 26 Cb 1.20 1.24 0.00 0.00 -3.07 0.00 0.00 36.82 36.19 1xsf h ILE 26 CO 0.69 0.09 -0.07 0.47 -0.69 0.00 0.00 178.15 178.64 1xsf n ASP 27 N -3.79 1.99 0.00 1.72 8.00 -1.26 -3.41 116.55 119.80 1xsf n ASP 27 Ca -0.02 -1.59 0.09 0.00 0.71 0.00 0.00 54.79 53.97 1xsf n ASP 27 Cb 0.19 0.06 0.49 0.00 -0.02 0.00 0.00 41.12 41.84 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 1.27 -0.73 0.17 0.44 0.00 0.14 -1.30 105.19 105.18 1xsf n GLY 28 Ca 0.16 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 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 0.69 -0.19 1.61 0.02 -1.67 0.28 113.55 114.29 1xsf h SER 29 Ca 0.00 -0.57 -0.16 0.00 -0.84 0.00 0.00 61.79 60.22 1xsf h SER 29 Cb 0.09 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1xsf h SER 29 CO 0.00 1.38 -0.44 0.40 -1.14 0.00 0.00 176.83 177.03 1xsf h ILE 30 N 0.28 1.29 -0.23 3.27 1.08 -1.37 -0.58 117.51 121.25 1xsf h ILE 30 Ca -0.11 -1.63 -0.15 0.00 -0.39 0.00 0.00 64.86 62.58 1xsf h ILE 30 Cb 1.68 1.54 -0.01 0.00 -3.07 0.00 0.00 36.82 36.95 1xsf h ILE 30 CO 0.19 0.53 -0.47 -0.50 -0.69 0.00 0.00 178.15 177.21 1xsf h TRP 31 N 0.60 0.73 0.04 1.37 -0.00 -1.35 0.17 115.95 117.50 1xsf h TRP 31 Ca 0.04 -0.23 -0.24 0.00 -0.00 0.00 0.00 58.89 58.46 1xsf h TRP 31 Cb 1.00 -0.15 0.01 0.00 -0.00 0.00 0.00 29.16 30.02 1xsf h TRP 31 CO 0.05 0.95 -1.03 0.22 -0.00 0.00 0.00 178.44 178.64 1xsf h ASP 32 N 0.48 0.56 -0.04 -3.49 3.58 -0.35 -0.56 116.42 116.60 1xsf h ASP 32 Ca 0.03 -0.48 -0.16 0.00 0.42 0.00 0.00 57.03 56.84 1xsf h ASP 32 Cb 0.99 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.86 1xsf h ASP 32 CO 0.09 1.30 -0.51 0.00 -2.88 0.00 0.00 179.24 177.24 1xsf h ALA 33 N 0.66 0.70 -0.46 -0.78 0.00 -0.92 -0.36 119.26 118.09 1xsf h ALA 33 Ca -0.10 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 1xsf h ALA 33 Cb 1.68 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1xsf h ALA 33 CO 0.18 0.68 0.15 0.82 0.00 0.00 0.00 179.25 181.07 1xsf h ILE 34 N 0.47 1.22 -0.96 0.00 2.04 -0.65 -1.38 117.51 118.25 1xsf h ILE 34 Ca 0.02 -0.74 0.07 0.00 1.00 0.00 0.00 64.86 65.21 1xsf h ILE 34 Cb 1.05 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.90 1xsf h ILE 34 CO 0.10 0.27 0.62 0.00 0.00 0.00 0.00 178.15 179.14 1xsf h ALA 35 N 1.00 1.46 0.00 1.87 0.00 -0.90 0.75 119.26 123.45 1xsf h ALA 35 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xsf h ALA 35 Cb 0.26 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1xsf h ALA 35 CO -0.01 0.39 0.00 0.78 0.00 0.00 0.00 179.25 180.41 1xsf h GLY 36 N 1.10 0.00 0.00 0.00 0.00 -0.62 0.36 103.07 103.91 1xsf h GLY 36 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1xsf h GLY 36 CO -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 176.54 176.00 1xsf h GLU 38 N -0.91 0.11 -0.01 0.00 4.57 -1.06 -3.32 114.58 113.97 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 0.38 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1xsf h GLU 38 CO 0.00 0.83 -0.63 0.00 -1.18 0.00 0.00 179.01 178.03 1xsf n ALA 39 N -2.66 3.91 -1.08 2.92 0.00 -0.65 -4.92 120.51 118.03 1xsf n ALA 39 Ca -0.19 -0.54 -0.03 0.00 0.00 0.00 0.00 53.44 52.68 1xsf n ALA 39 Cb 1.04 -0.89 -0.01 0.00 0.00 0.00 0.00 19.45 19.59 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 1.45 0.61 2.01 0.00 0.00 -0.85 -3.41 105.19 105.00 1xsf n GLY 40 Ca 0.07 -0.64 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.43 0.16 2.81 -0.02 0.00 0.12 -4.85 105.19 100.98 1xsf n GLY 41 Ca -0.03 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.30 1.07 0.00 1.61 2.47 -1.22 -4.92 114.94 110.65 1xsf s ASN 42 Ca 0.09 -0.29 0.29 0.00 0.42 0.00 0.00 52.86 53.37 1xsf s ASN 42 Cb -0.01 0.70 1.20 0.00 -1.45 0.00 0.00 41.25 41.68 1xsf s ASN 42 CO 0.26 -0.34 1.86 0.79 -3.72 0.00 0.00 177.10 175.95 1xsf n TRP 43 N 5.33 0.00 -0.59 0.43 7.02 -1.26 -1.13 117.44 127.24 1xsf n TRP 43 Ca -0.03 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.52 1xsf n TRP 43 Cb 0.49 -0.29 0.20 0.00 -2.42 0.00 0.00 31.31 29.29 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 -1.22 2.58 -2.16 6.99 0.00 -1.26 -3.45 120.51 121.99 1xsf n ALA 44 Ca 0.11 -1.73 -0.36 0.00 0.00 0.00 0.00 53.44 51.47 1xsf n ALA 44 Cb 0.29 -0.57 -0.06 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.92 4.64 -0.25 0.00 2.07 -1.13 -4.91 121.20 119.69 1xsf s ILE 45 Ca 0.32 1.17 -0.03 0.00 -1.41 0.00 0.00 60.65 60.71 1xsf s ILE 45 Cb 0.23 -3.82 0.14 0.00 0.13 0.00 0.00 42.46 39.14 1xsf s ILE 45 CO 0.12 0.20 0.44 0.21 -1.91 0.00 0.00 174.94 174.00 1xsf s ASN 46 N -1.68 -0.23 0.22 4.50 2.47 -1.26 -0.72 114.94 118.23 1xsf s ASN 46 Ca 0.42 0.49 0.25 0.00 0.42 0.00 0.00 52.86 54.45 1xsf s ASN 46 Cb -0.16 1.42 0.60 0.00 -1.45 0.00 0.00 41.25 41.65 1xsf s ASN 46 CO 0.20 -0.28 1.61 0.71 -3.72 0.00 0.00 177.10 175.63 1xsf h THR 47 N 6.13 0.00 0.00 -5.21 1.35 -1.97 -3.47 112.91 109.74 1xsf h THR 47 Ca -0.20 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1xsf h THR 47 Cb 1.15 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1xsf h THR 47 CO 0.25 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.13 1xsf n GLY 48 N 1.28 0.92 0.13 5.82 0.00 -1.26 -4.97 105.19 107.10 1xsf n GLY 48 Ca 0.05 -0.22 0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 0.41 0.56 0.00 1.61 0.23 -1.26 -4.89 115.26 111.91 1xsf n ASN 49 Ca 0.00 -0.57 0.00 0.00 -0.53 0.00 0.00 54.58 53.48 1xsf n ASN 49 Cb 0.01 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 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 1.31 1.35 3.59 4.83 0.00 -1.26 -5.03 105.19 109.99 1xsf n GLY 50 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 3.04 0.18 1.61 2.02 -1.26 -3.33 117.35 117.29 1xsf s TYR 51 Ca 0.00 -0.00 0.03 0.00 -0.37 0.00 0.00 57.07 56.73 1xsf s TYR 51 Cb 0.00 -1.81 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 1xsf s TYR 51 CO 0.00 0.28 0.31 0.71 -1.57 0.00 0.00 175.55 175.28 1xsf s TYR 52 N -0.51 3.47 0.89 2.71 1.51 -0.57 -4.72 117.35 120.15 1xsf s TYR 52 Ca 0.08 0.09 -0.15 0.00 -1.01 0.00 0.00 57.07 56.08 1xsf s TYR 52 Cb -0.12 -1.65 0.23 0.00 -0.11 0.00 0.00 41.96 40.32 1xsf s TYR 52 CO 0.02 0.48 0.55 0.41 -1.11 0.00 0.00 175.55 175.91 1xsf n GLY 53 N -0.83 -3.74 4.60 0.71 0.00 0.10 -2.61 105.19 103.42 1xsf n GLY 53 Ca -0.07 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.40 1.55 0.10 -0.02 0.00 -0.29 -3.28 105.19 99.85 1xsf n GLY 54 Ca 0.09 -0.42 0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.61 1.61 0.31 -1.26 -3.92 118.33 111.45 1xsf n VAL 55 Ca 0.00 -0.05 -0.23 0.00 -0.01 0.00 0.00 64.34 64.05 1xsf n VAL 55 Cb 0.00 -0.18 0.07 0.00 -0.91 0.00 0.00 33.84 32.82 1xsf n VAL 55 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1xsf n GLN 56 N -0.99 -6.97 -3.97 5.55 -0.06 -1.07 -4.77 117.38 105.09 1xsf n GLN 56 Ca 0.15 0.78 -0.23 0.00 -2.00 0.00 0.00 57.00 55.70 1xsf n GLN 56 Cb 0.26 -5.76 -0.06 0.00 -4.06 0.00 0.00 30.24 20.63 1xsf n GLN 56 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 1xsf s PHE 57 N -3.36 2.66 0.53 3.69 -0.71 -1.16 -4.69 117.98 114.94 1xsf s PHE 57 Ca 0.39 -0.52 -0.17 0.00 -1.04 0.00 0.00 56.93 55.60 1xsf s PHE 57 Cb -0.18 -1.95 -0.07 0.00 -1.21 0.00 0.00 43.02 39.61 1xsf s PHE 57 CO 0.75 0.13 1.01 0.16 -1.34 0.00 0.00 175.22 175.93 1xsf s ASP 58 N -3.95 6.41 0.43 1.98 -4.77 -1.26 -1.50 116.67 113.99 1xsf s ASP 58 Ca 0.42 1.67 0.13 0.00 -3.30 0.00 0.00 52.55 51.47 1xsf s ASP 58 Cb 0.01 -2.52 0.93 0.00 -1.09 0.00 0.00 42.92 40.25 1xsf s ASP 58 CO 0.24 -0.74 1.97 -0.61 0.70 0.00 0.00 175.17 176.73 1xsf h GLN 59 N 0.93 0.08 0.03 2.11 5.75 -1.93 0.11 115.11 122.18 1xsf h GLN 59 Ca -0.47 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.01 1xsf h GLN 59 Cb 1.20 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.73 1xsf h GLN 59 CO 0.60 0.24 -0.01 0.78 -2.65 0.00 0.00 178.83 177.79 1xsf h GLY 60 N 0.61 -0.04 1.01 2.39 0.00 -1.92 0.39 103.07 105.51 1xsf h GLY 60 Ca 0.02 0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 1xsf h GLY 60 CO 0.02 -0.01 0.03 -0.84 0.00 0.00 0.00 176.54 175.74 1xsf h THR 61 N -0.18 1.26 -0.29 4.70 2.02 -1.88 0.12 112.91 118.67 1xsf h THR 61 Ca -0.00 -1.04 0.04 0.00 0.77 0.00 0.00 66.41 66.18 1xsf h THR 61 Cb 0.17 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1xsf h THR 61 CO 0.01 0.37 0.04 -0.25 0.37 0.00 0.00 175.52 176.06 1xsf h TRP 62 N 0.77 0.07 -0.25 3.16 2.91 -0.65 -0.53 115.95 121.43 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 0.48 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.13 1xsf h TRP 62 CO 0.04 0.00 -0.28 1.49 -1.03 0.00 0.00 178.44 178.66 1xsf h GLU 63 N 0.14 0.49 -0.75 2.65 4.81 -0.06 0.34 114.58 122.20 1xsf h GLU 63 Ca 0.13 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1xsf h GLU 63 Cb 0.15 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1xsf h GLU 63 CO -0.19 0.73 0.34 0.00 -0.73 0.00 0.00 179.01 179.16 1xsf h ALA 64 N 1.27 0.97 0.00 2.92 0.00 0.13 -0.79 119.26 123.76 1xsf h ALA 64 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xsf h ALA 64 Cb 0.72 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xsf h ALA 64 CO 0.05 0.55 0.00 0.09 0.00 0.00 0.00 179.25 179.95 1xsf n ASN 65 N -4.37 0.20 -0.76 0.00 5.03 -0.29 -4.93 115.26 110.14 1xsf n ASN 65 Ca 0.06 0.52 0.00 0.00 0.87 0.00 0.00 54.58 56.03 1xsf n ASN 65 Cb 0.15 -0.57 0.00 0.00 -1.02 0.00 0.00 39.78 38.34 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 1.45 0.50 0.19 7.41 0.00 -0.30 -4.97 105.19 109.48 1xsf n GLY 66 Ca 0.07 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.55 -3.32 103.07 101.18 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 -0.98 3.11 4.07 -1.78 0.26 115.31 119.99 1xsf h LEU 68 Ca 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.86 1xsf h LEU 68 Cb 0.95 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 -0.40 0.08 -1.08 0.00 0.00 178.44 177.08 1xsf h ARG 69 N 0.00 0.22 0.09 1.13 0.11 -1.97 -2.58 114.38 111.38 1xsf h ARG 69 Ca -0.00 -0.10 -0.27 0.00 0.10 0.00 0.00 59.98 59.71 1xsf h ARG 69 Cb 0.14 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.21 1xsf h ARG 69 CO 0.00 0.59 -1.33 1.88 0.10 0.00 0.00 179.97 181.21 1xsf h TYR 70 N 0.18 0.36 0.00 4.08 0.05 -0.86 -3.47 116.97 117.31 1xsf h TYR 70 Ca 0.02 -0.26 0.00 0.00 0.05 0.00 0.00 58.73 58.54 1xsf h TYR 70 Cb 0.79 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.51 1xsf h TYR 70 CO 0.01 1.25 0.00 0.00 -1.05 0.00 0.00 178.16 178.37 1xsf n ALA 71 N -2.55 0.00 0.00 3.88 0.00 0.21 -4.72 120.51 117.33 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 -3.79 0.00 -0.02 -1.01 -3.42 135.00 126.77 1xsf n PRO 72 Ca 0.00 0.27 -0.13 0.00 -2.02 0.00 0.00 63.50 61.62 1xsf n PRO 72 Cb 0.00 -1.58 -0.12 0.00 -0.02 0.00 0.00 33.50 31.77 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 -2.47 0.21 0.39 -0.52 1.70 -1.26 -4.76 118.95 112.24 1xsf s ARG 73 Ca 0.00 0.31 0.11 0.00 -0.47 0.00 0.00 55.73 55.68 1xsf s ARG 73 Cb 0.00 0.06 0.89 0.00 -0.57 0.00 0.00 34.95 35.33 1xsf s ARG 73 CO 0.00 -0.05 1.93 0.00 -1.08 0.00 0.00 175.30 176.10 1xsf h ALA 74 N 6.12 1.90 -0.00 7.88 0.00 -1.85 -1.25 119.26 132.06 1xsf h ALA 74 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xsf h ALA 74 Cb 1.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1xsf h ALA 74 CO 0.39 -0.06 -0.03 -0.40 0.00 0.00 0.00 179.25 179.14 1xsf n ASP 75 N -4.50 0.07 0.01 0.00 5.75 -1.25 -1.84 116.55 114.80 1xsf n ASP 75 Ca 0.13 0.04 -0.12 0.00 -0.01 0.00 0.00 54.79 54.82 1xsf n ASP 75 Cb 0.38 -0.32 -0.14 0.00 -1.03 0.00 0.00 41.12 40.02 1xsf n ASP 75 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1xsf h LEU 76 N 0.06 0.16-10.16 -2.12 5.85 -1.45 -3.37 115.31 104.28 1xsf h LEU 76 Ca 0.00 -0.29 -0.47 0.00 0.84 0.00 0.00 57.88 57.96 1xsf h LEU 76 Cb 0.38 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.37 1xsf h LEU 76 CO 0.00 1.25 0.37 0.00 -0.34 0.00 0.00 178.44 179.72 1xsf s ALA 77 N -2.61 3.02 0.02 1.25 0.00 -0.77 -5.00 121.76 117.68 1xsf s ALA 77 Ca -0.08 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.14 1xsf s ALA 77 Cb 0.08 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1xsf s ALA 77 CO 0.82 -0.21 0.02 0.25 0.00 0.00 0.00 175.76 176.64 1xsf n THR 78 N -1.40 0.00 -0.17 0.00 -2.24 -1.26 -4.78 114.28 104.42 1xsf n THR 78 Ca 0.07 -0.06 -0.01 0.00 -2.27 0.00 0.00 64.05 61.78 1xsf n THR 78 Cb 0.54 -0.93 0.07 0.00 -2.10 0.00 0.00 70.33 67.91 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 0.09 -0.17 -0.78 3.08 -1.95 -0.88 114.38 113.77 1xsf h ARG 79 Ca -0.01 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1xsf h ARG 79 Cb 0.04 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1xsf h ARG 79 CO 0.01 0.06 0.02 1.05 -1.07 0.00 0.00 179.97 180.05 1xsf h GLU 80 N 0.10 0.08 0.03 0.04 4.11 -1.94 0.14 114.58 117.14 1xsf h GLU 80 Ca 0.27 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.70 1xsf h GLU 80 Cb 0.42 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1xsf h GLU 80 CO -0.47 0.06 -0.02 0.93 0.07 0.00 0.00 179.01 179.58 1xsf h GLU 81 N 0.09 -0.04 -0.31 1.06 3.07 -1.84 -2.81 114.58 113.79 1xsf h GLU 81 Ca 0.08 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.91 1xsf h GLU 81 Cb 0.08 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 1xsf h GLU 81 CO -0.11 0.27 0.07 1.96 -1.40 0.00 0.00 179.01 179.80 1xsf h GLN 82 N -0.36 0.45 -0.09 2.33 4.20 -0.97 -0.57 115.11 120.10 1xsf h GLN 82 Ca -0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1xsf h GLN 82 Cb 0.33 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 1xsf h GLN 82 CO 0.01 0.43 0.05 0.82 -0.67 0.00 0.00 178.83 179.47 1xsf h ILE 83 N 0.45 1.04 -0.34 2.54 2.04 -0.72 0.21 117.51 122.73 1xsf h ILE 83 Ca 0.11 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1xsf h ILE 83 Cb 0.18 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1xsf h ILE 83 CO -0.00 0.04 0.12 0.00 0.00 0.00 0.00 178.15 178.31 1xsf h ALA 84 N 1.01 0.40 -0.07 1.87 0.00 -0.87 0.49 119.26 122.08 1xsf h ALA 84 Ca 0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xsf h ALA 84 Cb 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xsf h ALA 84 CO -0.01 -0.27 0.00 0.28 0.00 0.00 0.00 179.25 179.26 1xsf h VAL 85 N 0.27 1.24 -0.11 0.00 2.07 -1.20 -2.28 116.25 116.25 1xsf h VAL 85 Ca 0.16 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.95 1xsf h VAL 85 Cb 0.12 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1xsf h VAL 85 CO -0.16 0.21 0.08 0.00 0.02 0.00 0.00 177.57 177.72 1xsf h ALA 86 N 0.74 2.05 -0.62 1.67 0.00 -0.69 -2.37 119.26 120.05 1xsf h ALA 86 Ca 0.02 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1xsf h ALA 86 Cb 0.33 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1xsf h ALA 86 CO 0.00 -0.08 0.40 0.93 0.00 0.00 0.00 179.25 180.51 1xsf h GLU 87 N 0.04 0.79 0.08 0.00 4.39 0.57 0.48 114.58 120.92 1xsf h GLU 87 Ca 0.05 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xsf h GLU 87 Cb 0.14 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1xsf h GLU 87 CO -0.00 0.52 -0.04 0.28 -1.16 0.00 0.00 179.01 178.61 1xsf h VAL 88 N 0.81 1.08 -0.10 3.13 2.07 -1.22 -3.07 116.25 118.96 1xsf h VAL 88 Ca 0.23 -0.54 -0.17 0.00 0.82 0.00 0.00 66.70 67.04 1xsf h VAL 88 Cb -0.06 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1xsf h VAL 88 CO -0.07 0.13 -0.68 0.00 0.02 0.00 0.00 177.57 176.98 1xsf h THR 89 N -0.35 1.37 -0.91 2.57 1.03 -1.39 -3.12 112.91 112.11 1xsf h THR 89 Ca -0.01 -2.05 0.00 0.00 -0.01 0.00 0.00 66.41 64.34 1xsf h THR 89 Cb 0.30 2.03 -0.04 0.00 -1.07 0.00 0.00 68.15 69.36 1xsf h THR 89 CO 0.02 0.62 0.58 0.08 -0.01 0.00 0.00 175.52 176.80 1xsf h ARG 90 N 0.29 1.22 0.00 0.00 0.11 -0.07 -2.37 114.38 113.57 1xsf h ARG 90 Ca -0.02 -0.09 -0.05 0.00 0.10 0.00 0.00 59.98 59.92 1xsf h ARG 90 Cb 1.23 -0.27 -0.01 0.00 1.11 0.00 0.00 29.97 32.04 1xsf h ARG 90 CO 0.12 0.83 -0.25 1.37 0.10 0.00 0.00 179.97 182.14 1xsf h LEU 91 N 1.25 0.00 0.04 0.08 8.10 -1.47 0.28 115.31 123.58 1xsf h LEU 91 Ca 0.33 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 58.26 1xsf h LEU 91 Cb -0.10 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.13 1xsf h LEU 91 CO -0.07 0.25 -0.26 0.03 -4.11 0.00 0.00 178.44 174.28 1xsf h ARG 92 N 0.00 0.11 0.00 0.17 3.08 -1.45 -3.39 114.38 112.89 1xsf h ARG 92 Ca -0.00 -0.17 -0.29 0.00 0.07 0.00 0.00 59.98 59.59 1xsf h ARG 92 Cb 0.83 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.88 1xsf h ARG 92 CO 0.03 1.05 -2.13 0.00 -1.07 0.00 0.00 179.97 177.85 1xsf n GLN 93 N -4.47 0.67 -0.39 0.04 10.64 -1.03 -5.01 117.38 117.84 1xsf n GLN 93 Ca -0.11 0.04 0.00 0.00 -1.83 0.00 0.00 57.00 55.10 1xsf n GLN 93 Cb 0.58 -1.59 0.00 0.00 -0.86 0.00 0.00 30.24 28.36 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 1.62 1.00 2.66 2.61 0.00 0.96 -3.84 105.19 110.21 1xsf n GLY 94 Ca -0.24 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.40 0.00 0.12 1.61 7.02 -1.09 -4.66 117.44 120.04 1xsf n TRP 95 Ca 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.52 1xsf n TRP 95 Cb 0.08 -1.17 0.45 0.00 -2.42 0.00 0.00 31.31 28.25 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 0.00 0.28 2.00 6.99 0.00 -1.86 0.45 103.07 110.93 1xsf h GLY 96 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 1xsf h GLY 96 CO 0.00 0.13 -0.09 0.00 0.00 0.00 0.00 176.54 176.58 1xsf h ALA 97 N 1.74 1.27 -2.94 3.60 0.00 -1.89 -3.37 119.26 117.68 1xsf h ALA 97 Ca 0.06 -0.09 -0.71 0.00 0.00 0.00 0.00 54.91 54.18 1xsf h ALA 97 Cb 0.19 -0.02 -0.29 0.00 0.00 0.00 0.00 17.79 17.67 1xsf h ALA 97 CO 0.00 0.12 -0.51 -1.58 0.00 0.00 0.00 179.25 177.28 1xsf s TRP 98 N -4.20 3.36 0.00 0.00 0.51 0.15 -5.04 118.94 113.72 1xsf s TRP 98 Ca -0.03 -1.68 0.00 0.00 -2.12 0.00 0.00 56.10 52.27 1xsf s TRP 98 Cb 0.13 -2.86 0.00 0.00 -0.81 0.00 0.00 33.47 29.93 1xsf s TRP 98 CO 0.57 -0.85 0.00 -2.30 -0.51 0.00 0.00 176.95 173.86 1xsf n PRO 99 N 4.83 0.00 0.19 4.98 -0.02 -1.26 -3.60 135.00 140.12 1xsf n PRO 99 Ca -0.09 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.44 1xsf n PRO 99 Cb 0.43 -0.12 0.34 0.00 -0.02 0.00 0.00 33.50 34.13 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 0.96 -0.14 -1.45 2.07 -1.96 -3.16 116.25 112.57 1xsf h VAL 100 Ca 0.00 -1.51 -0.20 0.00 0.82 0.00 0.00 66.70 65.81 1xsf h VAL 100 Cb 0.00 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1xsf h VAL 100 CO 0.00 0.38 -0.71 0.00 0.02 0.00 0.00 177.57 177.26 1xsf h ALA 102 N 0.77 0.34 -0.69 0.00 0.00 -1.61 -1.61 119.26 116.47 1xsf h ALA 102 Ca -0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1xsf h ALA 102 Cb 1.31 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1xsf h ALA 102 CO 0.14 0.29 0.38 0.00 0.00 0.00 0.00 179.25 180.06 1xsf h ALA 103 N 0.67 1.37 0.00 0.00 0.00 -1.53 0.29 119.26 120.05 1xsf h ALA 103 Ca 0.04 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1xsf h ALA 103 Cb 0.77 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1xsf h ALA 103 CO 0.06 0.52 -0.23 0.00 0.00 0.00 0.00 179.25 179.59 1xsf h ARG 104 N 0.96 0.00 0.00 0.00 -0.00 -1.19 -3.25 114.38 110.89 1xsf h ARG 104 Ca 0.24 0.00 -0.09 0.00 -0.50 0.00 0.00 59.98 59.63 1xsf h ARG 104 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 29.97 1xsf h ARG 104 CO -0.04 0.23 -1.71 0.00 0.00 0.00 0.00 179.97 178.45 1xsf n ALA 105 N -2.22 2.35 0.00 0.04 0.00 -0.32 -4.98 120.51 115.38 1xsf n ALA 105 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1xsf n ALA 105 Cb 0.45 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 1.35 0.40 3.79 0.00 0.00 0.79 -4.25 105.19 107.27 1xsf n GLY 106 Ca -0.09 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 2.77 0.00 4.61 0.00 0.06 -4.95 121.76 124.24 1xsf s ALA 107 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.66 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 -0.59 0.23 0.54 0.00 0.00 0.00 175.76 175.94