#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 2.58 -1.99 2.41 3.14 -1.26 -4.94 118.33 118.28 1xsf n VAL 2 Ca 0.00 -1.47 -0.42 0.00 -2.96 0.00 0.00 64.34 59.48 1xsf n VAL 2 Cb 0.00 -0.99 -0.03 0.00 -1.06 0.00 0.00 33.84 31.76 1xsf n VAL 2 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1xsf s VAL 3 N -2.30 3.44 -0.02 1.55 0.11 -1.26 -5.01 120.40 116.92 1xsf s VAL 3 Ca 0.35 0.65 -0.01 0.00 -2.93 0.00 0.00 61.98 60.04 1xsf s VAL 3 Cb 0.28 -3.42 -0.04 0.00 -1.53 0.00 0.00 36.38 31.67 1xsf s VAL 3 CO 0.03 -0.04 0.08 -0.69 -3.33 0.00 0.00 175.10 171.15 1xsf s VAL 4 N 3.63 4.75 -0.21 2.04 1.01 -1.26 -5.09 120.40 125.27 1xsf s VAL 4 Ca 0.74 -0.35 -0.20 0.00 0.00 0.00 0.00 61.98 62.17 1xsf s VAL 4 Cb -0.35 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1xsf s VAL 4 CO 0.31 0.39 0.61 0.42 0.00 0.00 0.00 175.10 176.83 1xsf s THR 5 N -1.16 5.03 0.51 3.92 -4.23 -1.26 -5.05 115.64 113.41 1xsf s THR 5 Ca 0.21 1.13 -0.18 0.00 -1.18 0.00 0.00 61.69 61.68 1xsf s THR 5 Cb -0.12 -3.92 -0.08 0.00 1.34 0.00 0.00 72.50 69.72 1xsf s THR 5 CO 0.12 0.11 1.01 -2.16 -0.54 0.00 0.00 174.62 173.16 1xsf s PRO 6 N 1.94 3.82 -0.58 3.99 0.04 -1.26 -4.94 135.00 138.00 1xsf s PRO 6 Ca 0.27 1.12 -0.27 0.00 0.04 0.00 0.00 61.00 62.17 1xsf s PRO 6 Cb -0.16 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 1xsf s PRO 6 CO 0.10 -0.39 1.81 0.00 0.04 0.00 0.00 177.00 178.56 1xsf s ALA 7 N -2.38 2.30 0.00 8.56 0.00 -1.26 -2.10 121.76 126.89 1xsf s ALA 7 Ca 0.62 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1xsf s ALA 7 Cb -0.12 -4.26 0.00 0.00 0.00 0.00 0.00 23.12 18.74 1xsf s ALA 7 CO 0.27 -3.68 0.00 1.58 0.00 0.00 0.00 175.76 173.93 1xsf n HIS 8 N 12.20 0.00 -1.89 0.00 -0.00 -1.26 -5.13 115.22 119.14 1xsf n HIS 8 Ca 0.20 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.50 1xsf n HIS 8 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.48 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 4.19 -0.57 1.57 -1.05 -0.89 -4.95 118.70 116.99 1xsf s GLU 9 Ca 0.00 2.45 0.07 0.00 -0.15 0.00 0.00 54.97 57.34 1xsf s GLU 9 Cb 0.00 -3.06 0.26 0.00 -0.44 0.00 0.00 34.13 30.90 1xsf s GLU 9 CO 0.00 -0.52 0.72 0.00 0.95 0.00 0.00 175.26 176.41 1xsf n ALA 10 N 2.05 3.73 0.15 -0.84 0.00 -1.26 -4.82 120.51 119.52 1xsf n ALA 10 Ca 0.07 -4.43 0.02 0.00 0.00 0.00 0.00 53.44 49.09 1xsf n ALA 10 Cb 0.39 -0.86 0.35 0.00 0.00 0.00 0.00 19.45 19.33 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 2.82 1.24 -0.89 0.00 3.04 -2.03 -3.46 116.25 116.96 1xsf h VAL 11 Ca 0.16 -1.12 0.00 0.00 -1.01 0.00 0.00 66.70 64.73 1xsf h VAL 11 Cb 0.70 1.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.49 1xsf h VAL 11 CO 0.75 0.33 0.00 0.52 -1.01 0.00 0.00 177.57 178.15 1xsf n VAL 12 N -4.16 0.00 -3.47 1.51 0.31 -1.26 -4.88 118.33 106.39 1xsf n VAL 12 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.89 1xsf n VAL 12 Cb 0.36 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.19 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 0.00 3.18 0.41 5.55 1.70 -1.26 -5.07 118.95 123.47 1xsf s ARG 13 Ca 0.00 -0.84 -0.02 0.00 -0.47 0.00 0.00 55.73 54.39 1xsf s ARG 13 Cb 0.00 -3.91 -0.03 0.00 -0.57 0.00 0.00 34.95 30.43 1xsf s ARG 13 CO 0.00 -0.65 0.66 0.08 -1.08 0.00 0.00 175.30 174.31 1xsf s VAL 14 N 1.75 4.99 0.00 4.99 1.01 -1.26 -4.74 120.40 127.14 1xsf s VAL 14 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1xsf s VAL 14 Cb -0.18 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1xsf s VAL 14 CO 0.11 -0.69 0.00 0.61 0.00 0.00 0.00 175.10 175.13 1xsf n GLY 15 N -2.01 0.13 0.16 4.51 0.00 -1.26 -5.00 105.19 101.71 1xsf n GLY 15 Ca -0.02 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 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 1.42 -3.21 2.61 2.02 -2.06 -3.39 112.91 110.30 1xsf h THR 16 Ca 0.00 -2.36 -0.74 0.00 0.77 0.00 0.00 66.41 64.08 1xsf h THR 16 Cb 0.43 2.30 -0.25 0.00 -1.74 0.00 0.00 68.15 68.88 1xsf h THR 16 CO 0.00 0.70 -0.30 -0.54 0.37 0.00 0.00 175.52 175.75 1xsf s LYS 17 N -3.40 2.83 0.87 6.66 -0.14 -1.26 -5.08 119.74 120.22 1xsf s LYS 17 Ca -0.05 -1.65 -0.13 0.00 -1.36 0.00 0.00 55.97 52.79 1xsf s LYS 17 Cb 0.10 -4.14 0.12 0.00 -1.68 0.00 0.00 37.83 32.23 1xsf s LYS 17 CO 0.84 -1.22 1.20 -2.14 -0.76 0.00 0.00 175.35 173.28 1xsf s PRO 18 N 1.53 1.45 0.00 -1.68 0.02 -1.26 -4.87 135.00 130.18 1xsf s PRO 18 Ca 0.04 0.02 0.00 0.00 0.02 0.00 0.00 61.00 61.07 1xsf s PRO 18 Cb -0.28 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.34 1xsf s PRO 18 CO 0.03 -1.93 0.00 0.41 -0.33 0.00 0.00 177.00 175.17 1xsf n GLY 19 N -3.18 0.99 0.18 0.52 0.00 -1.26 -5.03 105.19 97.41 1xsf n GLY 19 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 1.31 -4.18 2.61 2.02 -2.04 -3.43 112.91 109.20 1xsf h THR 20 Ca 0.00 -1.51 -0.69 0.00 0.77 0.00 0.00 66.41 64.98 1xsf h THR 20 Cb 0.00 1.76 -0.25 0.00 -1.74 0.00 0.00 68.15 67.92 1xsf h THR 20 CO 0.00 0.44 -0.84 -1.61 0.37 0.00 0.00 175.52 173.88 1xsf s GLU 21 N -4.08 2.01 -0.37 6.66 2.02 -1.26 -5.09 118.70 118.59 1xsf s GLU 21 Ca -0.03 -1.00 -0.25 0.00 0.02 0.00 0.00 54.97 53.71 1xsf s GLU 21 Cb 0.14 -2.11 0.01 0.00 0.10 0.00 0.00 34.13 32.27 1xsf s GLU 21 CO 0.75 0.54 0.87 0.08 0.02 0.00 0.00 175.26 177.52 1xsf s VAL 22 N -0.82 4.64 0.22 2.63 1.01 -1.26 -5.01 120.40 121.80 1xsf s VAL 22 Ca 0.13 1.06 -0.32 0.00 0.00 0.00 0.00 61.98 62.85 1xsf s VAL 22 Cb -0.10 -4.29 -0.12 0.00 0.00 0.00 0.00 36.38 31.87 1xsf s VAL 22 CO 0.03 -0.51 1.70 -2.65 0.00 0.00 0.00 175.10 173.67 1xsf n PRO 23 N 6.66 2.76 -1.68 2.72 -0.02 -1.26 -4.90 135.00 139.27 1xsf n PRO 23 Ca 0.06 0.99 -0.42 0.00 -2.02 0.00 0.00 63.50 62.10 1xsf n PRO 23 Cb 0.48 -2.83 -0.00 0.00 -0.02 0.00 0.00 33.50 31.13 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 3.65 1.92 -4.83 0.52 -0.04 -1.26 -5.00 135.00 129.96 1xsf n PRO 24 Ca 0.15 0.68 -0.33 0.00 -0.04 0.00 0.00 63.50 63.96 1xsf n PRO 24 Cb 0.35 -2.26 -0.13 0.00 -0.04 0.00 0.00 33.50 31.43 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 -1.13 3.13 0.52 0.52 1.01 -1.26 -5.01 120.40 118.18 1xsf s VAL 25 Ca 0.58 -0.74 0.28 0.00 0.00 0.00 0.00 61.98 62.10 1xsf s VAL 25 Cb -0.57 -2.25 0.32 0.00 0.00 0.00 0.00 36.38 33.89 1xsf s VAL 25 CO 0.61 0.56 2.18 0.40 0.00 0.00 0.00 175.10 178.85 1xsf h ILE 26 N 4.27 0.57 -0.06 2.22 5.03 -2.02 0.10 117.51 127.63 1xsf h ILE 26 Ca -0.47 -0.21 0.00 0.00 -0.12 0.00 0.00 64.86 64.06 1xsf h ILE 26 Cb 1.16 1.13 0.00 0.00 -3.03 0.00 0.00 36.82 36.08 1xsf h ILE 26 CO 0.50 0.05 0.00 0.47 -0.68 0.00 0.00 178.15 178.49 1xsf n ASP 27 N -3.81 1.27 0.05 1.72 9.92 -1.26 -3.40 116.55 121.04 1xsf n ASP 27 Ca -0.03 -1.50 0.06 0.00 -0.53 0.00 0.00 54.79 52.79 1xsf n ASP 27 Cb 0.14 -0.03 0.28 0.00 -0.64 0.00 0.00 41.12 40.87 1xsf n ASP 27 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xsf n GLY 28 N 1.11 -0.84 0.16 0.44 0.00 0.36 -0.66 105.19 105.75 1xsf n GLY 28 Ca 0.18 0.04 -0.16 0.00 0.00 0.00 0.00 46.02 46.08 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 0.62 -0.27 1.61 0.02 -1.76 0.74 113.55 114.51 1xsf h SER 29 Ca 0.00 -0.54 -0.17 0.00 -0.84 0.00 0.00 61.79 60.24 1xsf h SER 29 Cb 0.13 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1xsf h SER 29 CO 0.00 1.35 -0.51 0.40 -1.14 0.00 0.00 176.83 176.93 1xsf h ILE 30 N 0.23 1.29 -0.30 3.27 1.08 -1.07 -1.87 117.51 120.14 1xsf h ILE 30 Ca -0.11 -1.70 -0.11 0.00 -0.39 0.00 0.00 64.86 62.54 1xsf h ILE 30 Cb 1.72 1.69 -0.01 0.00 -3.07 0.00 0.00 36.82 37.14 1xsf h ILE 30 CO 0.19 0.55 -0.27 -0.50 -0.69 0.00 0.00 178.15 177.42 1xsf h TRP 31 N 0.58 0.68 0.05 1.37 -0.00 -1.09 0.16 115.95 117.70 1xsf h TRP 31 Ca 0.01 -0.16 -0.25 0.00 -0.00 0.00 0.00 58.89 58.49 1xsf h TRP 31 Cb 1.12 -0.16 0.01 0.00 -0.00 0.00 0.00 29.16 30.13 1xsf h TRP 31 CO 0.08 0.81 -1.07 0.22 -0.00 0.00 0.00 178.44 178.47 1xsf h ASP 32 N 0.52 0.60 0.18 -3.49 1.82 -0.83 -1.56 116.42 113.66 1xsf h ASP 32 Ca 0.07 -0.52 -0.14 0.00 -0.39 0.00 0.00 57.03 56.05 1xsf h ASP 32 Cb 0.74 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.55 1xsf h ASP 32 CO 0.06 1.35 -0.51 0.00 -1.61 0.00 0.00 179.24 178.52 1xsf h ALA 33 N 0.60 0.88 -0.22 -0.78 0.00 -1.03 0.31 119.26 119.01 1xsf h ALA 33 Ca -0.12 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 1xsf h ALA 33 Cb 1.74 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1xsf h ALA 33 CO 0.19 0.67 0.04 0.82 0.00 0.00 0.00 179.25 180.97 1xsf h ILE 34 N 0.29 1.22 -0.42 0.00 2.04 -0.66 -0.67 117.51 119.31 1xsf h ILE 34 Ca 0.01 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 1xsf h ILE 34 Cb 1.00 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 1xsf h ILE 34 CO 0.09 0.23 0.18 0.00 0.00 0.00 0.00 178.15 178.64 1xsf h ALA 35 N 0.85 1.53 0.00 1.87 0.00 -1.16 0.63 119.26 122.99 1xsf h ALA 35 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xsf h ALA 35 Cb 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1xsf h ALA 35 CO 0.00 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1xsf n GLY 36 N -1.20 -1.25 0.05 0.00 0.00 0.09 -0.57 105.19 102.30 1xsf n GLY 36 Ca 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.69 0.12 -0.00 0.00 5.08 -1.48 -3.34 114.58 114.27 1xsf h GLU 38 Ca 0.00 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1xsf h GLU 38 Cb 0.38 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1xsf h GLU 38 CO 0.00 0.81 -0.40 0.00 -1.00 0.00 0.00 179.01 178.42 1xsf n ALA 39 N -2.70 3.34 -1.08 3.43 0.00 -0.80 -4.90 120.51 117.79 1xsf n ALA 39 Ca -0.21 -0.33 -0.03 0.00 0.00 0.00 0.00 53.44 52.87 1xsf n ALA 39 Cb 1.05 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 19.32 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 1.47 0.60 1.87 0.00 0.00 -0.97 -3.21 105.19 104.95 1xsf n GLY 40 Ca 0.07 -0.50 -0.03 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 -2.28 0.44 2.59 -0.02 0.00 0.26 -4.85 105.19 101.33 1xsf n GLY 41 Ca -0.03 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.05 2.61 0.00 1.61 3.04 -1.20 -4.94 114.94 113.02 1xsf s ASN 42 Ca 0.09 -1.50 0.31 0.00 0.04 0.00 0.00 52.86 51.80 1xsf s ASN 42 Cb -0.01 -0.05 1.64 0.00 -1.54 0.00 0.00 41.25 41.29 1xsf s ASN 42 CO 0.16 -0.36 2.11 0.79 -3.04 0.00 0.00 177.10 176.75 1xsf n TRP 43 N 4.74 0.00 -0.59 0.43 7.02 -1.26 -0.77 117.44 127.01 1xsf n TRP 43 Ca 0.03 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.58 1xsf n TRP 43 Cb 0.42 -0.20 0.19 0.00 -2.42 0.00 0.00 31.31 29.30 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 -1.20 2.55 -1.76 6.99 0.00 -1.26 -3.49 120.51 122.33 1xsf n ALA 44 Ca 0.17 -1.74 -0.39 0.00 0.00 0.00 0.00 53.44 51.48 1xsf n ALA 44 Cb 0.20 -0.54 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.93 3.76 -0.32 0.00 2.07 -1.08 -4.79 121.20 118.91 1xsf s ILE 45 Ca 0.31 1.67 -0.01 0.00 -1.41 0.00 0.00 60.65 61.20 1xsf s ILE 45 Cb 0.22 -4.02 0.12 0.00 0.13 0.00 0.00 42.46 38.92 1xsf s ILE 45 CO 0.11 0.32 0.21 0.20 -1.91 0.00 0.00 174.94 173.87 1xsf s ASN 46 N -1.15 2.81 0.52 4.50 -0.87 -1.26 -0.05 114.94 119.43 1xsf s ASN 46 Ca 0.46 -1.51 0.29 0.00 -1.57 0.00 0.00 52.86 50.53 1xsf s ASN 46 Cb -0.27 -0.13 1.41 0.00 -0.02 0.00 0.00 41.25 42.24 1xsf s ASN 46 CO 0.35 -0.37 2.03 0.71 -2.57 0.00 0.00 177.10 177.25 1xsf h THR 47 N 5.82 0.46 0.00 1.60 1.35 -1.95 -3.46 112.91 116.73 1xsf h THR 47 Ca -0.08 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1xsf h THR 47 Cb 1.01 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1xsf h THR 47 CO 0.34 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.34 1xsf n GLY 48 N -0.46 0.68 0.95 5.82 0.00 -1.26 -4.93 105.19 105.99 1xsf n GLY 48 Ca -0.01 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.83 1xsf n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xsf n ASN 49 N 0.52 2.85 0.00 1.61 5.15 -1.26 -4.86 115.26 119.26 1xsf n ASN 49 Ca 0.00 -1.91 0.00 0.00 -0.60 0.00 0.00 54.58 52.07 1xsf n ASN 49 Cb 0.00 -0.21 0.00 0.00 -0.53 0.00 0.00 39.78 39.04 1xsf n ASN 49 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xsf n GLY 50 N 1.38 0.62 3.71 8.20 0.00 -1.26 -5.00 105.19 112.84 1xsf n GLY 50 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 2.80 0.31 1.61 2.02 -1.26 -0.68 117.35 119.73 1xsf s TYR 51 Ca 0.00 -0.24 0.03 0.00 -0.37 0.00 0.00 57.07 56.49 1xsf s TYR 51 Cb 0.00 -1.36 -0.06 0.00 -0.40 0.00 0.00 41.96 40.14 1xsf s TYR 51 CO 0.00 0.52 0.07 0.71 -1.57 0.00 0.00 175.55 175.28 1xsf s TYR 52 N -2.31 1.87 1.05 2.71 2.02 0.10 -4.34 117.35 118.45 1xsf s TYR 52 Ca 0.33 -1.01 -0.11 0.00 -0.37 0.00 0.00 57.07 55.91 1xsf s TYR 52 Cb -0.06 -1.19 0.22 0.00 -0.40 0.00 0.00 41.96 40.53 1xsf s TYR 52 CO 0.22 -0.08 1.08 0.20 -1.57 0.00 0.00 175.55 175.41 1xsf s GLY 53 N -3.45 1.61 0.00 0.71 0.00 0.92 -2.41 107.32 104.71 1xsf s GLY 53 Ca 0.37 0.23 0.00 0.00 0.00 0.00 0.00 44.72 45.32 1xsf s GLY 53 CO 0.15 0.80 0.00 0.61 0.00 0.00 0.00 173.10 174.66 1xsf n GLY 54 N 0.55 1.44 1.35 0.20 0.00 0.05 -3.94 105.19 104.83 1xsf n GLY 54 Ca 0.07 -0.42 0.10 0.00 0.00 0.00 0.00 46.02 45.77 1xsf n GLY 54 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xsf n VAL 55 N 0.00 1.42 -3.52 1.61 0.24 -1.26 -4.11 118.33 112.70 1xsf n VAL 55 Ca 0.00 -1.12 -0.21 0.00 -2.04 0.00 0.00 64.34 60.96 1xsf n VAL 55 Cb 0.00 0.31 0.08 0.00 -1.47 0.00 0.00 33.84 32.76 1xsf n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xsf n GLN 56 N 1.19 -7.42 -1.87 7.34 1.13 -1.01 -4.94 117.38 111.80 1xsf n GLN 56 Ca 0.23 0.83 -0.42 0.00 -1.94 0.00 0.00 57.00 55.70 1xsf n GLN 56 Cb 0.73 -5.84 -0.03 0.00 0.11 0.00 0.00 30.24 25.20 1xsf n GLN 56 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1xsf s PHE 57 N -3.33 2.61 0.66 1.08 0.08 -1.20 -4.58 117.98 113.30 1xsf s PHE 57 Ca 0.37 0.35 -0.14 0.00 0.12 0.00 0.00 56.93 57.64 1xsf s PHE 57 Cb -0.16 -4.01 -0.00 0.00 -0.57 0.00 0.00 43.02 38.27 1xsf s PHE 57 CO 0.72 -3.96 1.08 0.16 -0.10 0.00 0.00 175.22 173.12 1xsf s ASP 58 N 1.96 5.33 0.39 1.36 -4.77 -1.26 0.02 116.67 119.70 1xsf s ASP 58 Ca 0.74 1.82 0.07 0.00 -3.30 0.00 0.00 52.55 51.88 1xsf s ASP 58 Cb -0.43 -2.53 0.81 0.00 -1.09 0.00 0.00 42.92 39.68 1xsf s ASP 58 CO 0.33 -1.48 2.00 -0.61 0.70 0.00 0.00 175.17 176.11 1xsf h GLN 59 N -0.16 0.64 -0.02 2.11 5.75 -1.28 -0.37 115.11 121.78 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 1.23 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 29.63 1xsf h GLN 59 CO 0.55 0.42 -0.01 0.78 -2.65 0.00 0.00 178.83 177.93 1xsf h GLY 60 N 0.66 0.03 1.06 2.39 0.00 -1.92 0.19 103.07 105.48 1xsf h GLY 60 Ca 0.25 -0.03 -0.11 0.00 0.00 0.00 0.00 47.33 47.43 1xsf h GLY 60 CO -0.07 0.03 -0.15 -0.84 0.00 0.00 0.00 176.54 175.51 1xsf h THR 61 N -0.37 1.27 -0.32 4.70 2.02 -1.90 0.28 112.91 118.59 1xsf h THR 61 Ca 0.00 -1.29 0.03 0.00 0.77 0.00 0.00 66.41 65.92 1xsf h THR 61 Cb 0.42 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1xsf h THR 61 CO 0.00 0.44 0.14 -0.25 0.37 0.00 0.00 175.52 176.23 1xsf h TRP 62 N 0.78 0.26 -0.14 3.16 2.91 -1.02 -1.73 115.95 120.17 1xsf h TRP 62 Ca 0.12 0.01 -0.09 0.00 1.13 0.00 0.00 58.89 60.06 1xsf h TRP 62 Cb 0.71 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.27 1xsf h TRP 62 CO 0.05 0.13 -0.31 1.49 -1.03 0.00 0.00 178.44 178.77 1xsf h GLU 63 N 0.30 0.26 -0.46 2.65 4.81 -0.39 0.33 114.58 122.08 1xsf h GLU 63 Ca 0.14 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 1xsf h GLU 63 Cb 0.07 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1xsf h GLU 63 CO -0.11 0.55 -0.02 0.00 -0.73 0.00 0.00 179.01 178.70 1xsf h ALA 64 N 1.45 0.62 -0.00 2.92 0.00 0.39 -1.30 119.26 123.35 1xsf h ALA 64 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xsf h ALA 64 Cb 0.67 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xsf h ALA 64 CO 0.05 0.44 -0.08 0.09 0.00 0.00 0.00 179.25 179.74 1xsf n ASN 65 N -4.35 0.26 -0.43 0.00 3.02 -0.76 -4.93 115.26 108.08 1xsf n ASN 65 Ca 0.00 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 1xsf n ASN 65 Cb 0.32 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 1xsf n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xsf n GLY 66 N 1.32 0.57 0.07 7.41 0.00 -0.49 -4.84 105.19 109.22 1xsf n GLY 66 Ca 0.13 -0.24 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 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 1.61 -0.02 0.00 -0.55 -3.30 103.07 100.82 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 0.18 1.41 0.00 0.00 0.00 176.54 178.13 1xsf h LEU 68 N 0.00 0.00 -0.91 3.11 4.07 -1.75 0.44 115.31 120.26 1xsf h LEU 68 Ca -0.01 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.84 1xsf h LEU 68 Cb 1.71 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.44 1xsf h LEU 68 CO 0.12 0.00 -0.54 0.08 -1.08 0.00 0.00 178.44 177.03 1xsf h ARG 69 N 0.00 0.02 0.11 1.13 0.11 -1.96 -2.79 114.38 111.01 1xsf h ARG 69 Ca 0.03 -0.01 -0.31 0.00 0.10 0.00 0.00 59.98 59.78 1xsf h ARG 69 Cb 0.38 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.45 1xsf h ARG 69 CO -0.00 0.55 -1.61 1.88 0.10 0.00 0.00 179.97 180.90 1xsf h TYR 70 N 0.02 0.44 0.00 4.08 0.05 -0.51 -3.48 116.97 117.57 1xsf h TYR 70 Ca -0.00 -0.32 0.00 0.00 0.05 0.00 0.00 58.73 58.46 1xsf h TYR 70 Cb 0.96 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.68 1xsf h TYR 70 CO 0.00 1.41 0.00 0.00 -1.05 0.00 0.00 178.16 178.52 1xsf n ALA 71 N -2.70 0.00 0.00 3.88 0.00 0.45 -4.72 120.51 117.42 1xsf n ALA 71 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1xsf n ALA 71 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.50 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 -1.18 -3.15 135.00 126.88 1xsf n PRO 72 Ca 0.00 0.25 -0.13 0.00 -2.02 0.00 0.00 63.50 61.61 1xsf n PRO 72 Cb 0.00 -1.55 -0.12 0.00 -0.02 0.00 0.00 33.50 31.81 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 -2.44 0.31 0.52 -0.52 1.70 -1.26 -4.74 118.95 112.52 1xsf s ARG 73 Ca 0.00 0.40 0.22 0.00 -0.47 0.00 0.00 55.73 55.88 1xsf s ARG 73 Cb 0.00 0.12 1.34 0.00 -0.57 0.00 0.00 34.95 35.84 1xsf s ARG 73 CO 0.00 -0.05 2.04 0.00 -1.08 0.00 0.00 175.30 176.21 1xsf h ALA 74 N 5.91 2.33 0.00 7.88 0.00 -1.88 -0.30 119.26 133.21 1xsf h ALA 74 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xsf h ALA 74 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xsf h ALA 74 CO 0.34 -0.44 -0.03 -0.40 0.00 0.00 0.00 179.25 178.73 1xsf n ASP 75 N -4.43 0.32 -0.02 0.00 5.75 -1.26 -2.40 116.55 114.52 1xsf n ASP 75 Ca 0.06 0.50 -0.11 0.00 -0.01 0.00 0.00 54.79 55.23 1xsf n ASP 75 Cb 0.44 -0.57 -0.14 0.00 -1.03 0.00 0.00 41.12 39.82 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 -1.79 1.19 -4.87 -2.12 7.94 -0.19 -4.77 117.00 112.39 1xsf n LEU 76 Ca 0.06 0.38 -0.30 0.00 -1.11 0.00 0.00 56.01 55.04 1xsf n LEU 76 Cb 0.37 -0.06 0.04 0.00 0.53 0.00 0.00 43.42 44.30 1xsf n LEU 76 CO 0.29 0.47 0.74 0.00 -1.11 0.00 0.00 177.39 177.78 1xsf s ALA 77 N -2.59 2.93 0.53 1.96 0.00 -0.79 -4.95 121.76 118.86 1xsf s ALA 77 Ca -0.08 -0.25 0.09 0.00 0.00 0.00 0.00 51.96 51.72 1xsf s ALA 77 Cb 0.08 -3.05 0.06 0.00 0.00 0.00 0.00 23.12 20.21 1xsf s ALA 77 CO 0.82 -1.02 0.66 0.95 0.00 0.00 0.00 175.76 177.17 1xsf s THR 78 N -3.29 2.23 0.20 0.00 -4.23 -1.26 -4.89 115.64 104.41 1xsf s THR 78 Ca 0.57 -1.11 -0.15 0.00 -1.18 0.00 0.00 61.69 59.82 1xsf s THR 78 Cb -0.11 -2.34 0.21 0.00 1.34 0.00 0.00 72.50 71.59 1xsf s THR 78 CO 0.53 0.00 1.62 0.03 -0.54 0.00 0.00 174.62 176.26 1xsf h ARG 79 N 0.41 -0.04 -0.18 3.99 3.08 -1.97 0.28 114.38 119.95 1xsf h ARG 79 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1xsf h ARG 79 Cb 1.29 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 1xsf h ARG 79 CO 0.45 -0.03 0.12 1.05 -1.07 0.00 0.00 179.97 180.49 1xsf h GLU 80 N -0.04 0.24 -0.07 0.04 9.09 -1.95 0.39 114.58 122.27 1xsf h GLU 80 Ca 0.28 -0.01 -0.05 0.00 0.05 0.00 0.00 59.36 59.63 1xsf h GLU 80 Cb 0.48 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 27.52 1xsf h GLU 80 CO -0.64 0.16 -0.15 0.93 0.05 0.00 0.00 179.01 179.35 1xsf h GLU 81 N 0.24 0.23 -0.63 1.06 5.08 -0.83 -0.21 114.58 119.52 1xsf h GLU 81 Ca 0.07 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1xsf h GLU 81 Cb -0.03 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1xsf h GLU 81 CO -0.01 0.75 0.37 1.96 -1.00 0.00 0.00 179.01 181.07 1xsf h GLN 82 N -0.26 0.85 -0.07 2.33 7.50 -0.48 -1.34 115.11 123.64 1xsf h GLN 82 Ca 0.00 -0.07 -0.00 0.00 0.50 0.00 0.00 58.65 59.08 1xsf h GLN 82 Cb 0.75 -0.18 -0.00 0.00 0.05 0.00 0.00 27.48 28.10 1xsf h GLN 82 CO 0.03 0.60 0.04 0.82 -1.50 0.00 0.00 178.83 178.83 1xsf h ILE 83 N 0.86 1.04 -0.42 2.54 2.04 -0.17 0.25 117.51 123.65 1xsf h ILE 83 Ca 0.22 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1xsf h ILE 83 Cb -0.02 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1xsf h ILE 83 CO -0.04 0.04 0.27 0.00 0.00 0.00 0.00 178.15 178.42 1xsf h ALA 84 N 0.99 0.53 -0.03 1.87 0.00 -0.48 0.29 119.26 122.44 1xsf h ALA 84 Ca 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xsf h ALA 84 Cb 0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1xsf h ALA 84 CO -0.00 0.00 -0.02 0.28 0.00 0.00 0.00 179.25 179.50 1xsf h VAL 85 N 0.56 1.36 -0.15 0.00 2.07 -1.13 -2.66 116.25 116.30 1xsf h VAL 85 Ca 0.15 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.52 1xsf h VAL 85 Cb -0.04 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1xsf h VAL 85 CO -0.03 0.29 -0.15 0.00 0.02 0.00 0.00 177.57 177.71 1xsf h ALA 86 N 0.57 1.49 0.00 1.67 0.00 -0.44 -2.14 119.26 120.40 1xsf h ALA 86 Ca 0.01 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1xsf h ALA 86 Cb 0.49 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1xsf h ALA 86 CO 0.01 0.36 -0.52 1.05 0.00 0.00 0.00 179.25 180.15 1xsf h GLU 87 N 0.22 0.00 -0.60 0.00 -0.00 -0.35 0.74 114.58 114.59 1xsf h GLU 87 Ca 0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 59.34 1xsf h GLU 87 Cb 0.40 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.12 1xsf h GLU 87 CO 0.02 0.52 0.13 0.28 -0.00 0.00 0.00 179.01 179.97 1xsf h VAL 88 N 0.00 1.25 -0.21 -1.06 2.07 -1.05 -2.91 116.25 114.35 1xsf h VAL 88 Ca -0.01 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1xsf h VAL 88 Cb 0.94 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1xsf h VAL 88 CO 0.07 0.35 0.04 0.74 0.02 0.00 0.00 177.57 178.78 1xsf h THR 89 N 0.89 1.22 -0.40 2.57 2.02 -0.46 -3.07 112.91 115.68 1xsf h THR 89 Ca 0.19 -0.72 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1xsf h THR 89 Cb 0.37 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1xsf h THR 89 CO 0.00 0.22 0.22 0.08 0.37 0.00 0.00 175.52 176.42 1xsf h ARG 90 N 0.14 0.53 0.00 6.66 -0.00 0.40 -1.44 114.38 120.68 1xsf h ARG 90 Ca 0.06 -0.04 -0.03 0.00 -0.00 0.00 0.00 59.98 59.97 1xsf h ARG 90 Cb 0.30 -0.11 -0.00 0.00 -0.00 0.00 0.00 29.97 30.16 1xsf h ARG 90 CO 0.00 0.39 -0.14 1.37 -0.00 0.00 0.00 179.97 181.59 1xsf h LEU 91 N 0.54 0.00 0.00 0.08 8.10 -1.42 0.31 115.31 122.93 1xsf h LEU 91 Ca 0.14 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 58.04 1xsf h LEU 91 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 1xsf h LEU 91 CO -0.03 0.14 -0.53 0.03 -4.11 0.00 0.00 178.44 173.95 1xsf h ARG 92 N 0.00 0.00 0.00 0.17 3.08 -1.26 -3.41 114.38 112.96 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 0.73 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1xsf h ARG 92 CO 0.02 0.84 -2.04 0.00 -1.07 0.00 0.00 179.97 177.72 1xsf n GLN 93 N -4.56 0.66 -0.62 0.04 0.00 -0.93 -5.00 117.38 106.97 1xsf n GLN 93 Ca -0.18 -0.12 0.00 0.00 0.00 0.00 0.00 57.00 56.71 1xsf n GLN 93 Cb 0.50 -1.55 0.00 0.00 0.00 0.00 0.00 30.24 29.20 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 1.27 2.90 2.61 0.00 0.11 -3.70 105.19 109.77 1xsf n GLY 94 Ca -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.25 0.00 0.09 1.61 7.02 -1.19 -4.69 117.44 119.04 1xsf n TRP 95 Ca 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.49 1xsf n TRP 95 Cb 0.14 -1.30 0.33 0.00 -2.42 0.00 0.00 31.31 28.06 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 0.31 2.00 6.99 0.00 -1.89 -2.14 103.07 108.34 1xsf h GLY 96 Ca 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 1xsf h GLY 96 CO 0.00 0.20 -0.33 0.00 0.00 0.00 0.00 176.54 176.40 1xsf h ALA 97 N 1.55 1.34 -2.28 3.60 0.00 -1.88 -3.37 119.26 118.22 1xsf h ALA 97 Ca 0.05 -0.30 -0.74 0.00 0.00 0.00 0.00 54.91 53.91 1xsf h ALA 97 Cb 0.49 -0.05 -0.23 0.00 0.00 0.00 0.00 17.79 18.00 1xsf h ALA 97 CO 0.03 0.42 -0.32 -1.58 0.00 0.00 0.00 179.25 177.80 1xsf s TRP 98 N -4.15 3.25 0.00 0.00 0.51 -0.80 -5.02 118.94 112.72 1xsf s TRP 98 Ca -0.03 -0.99 0.00 0.00 -2.12 0.00 0.00 56.10 52.97 1xsf s TRP 98 Cb 0.14 -3.26 0.00 0.00 -0.81 0.00 0.00 33.47 29.54 1xsf s TRP 98 CO 0.70 -0.83 0.00 -2.30 -0.51 0.00 0.00 176.95 174.01 1xsf n PRO 99 N 5.21 0.00 0.18 4.98 -0.02 -1.26 -3.48 135.00 140.61 1xsf n PRO 99 Ca -0.13 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.39 1xsf n PRO 99 Cb 0.43 -0.16 0.32 0.00 -0.02 0.00 0.00 33.50 34.07 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 1.11 -0.01 -1.45 2.07 -1.95 -3.18 116.25 112.84 1xsf h VAL 100 Ca 0.00 -1.58 -0.25 0.00 0.82 0.00 0.00 66.70 65.69 1xsf h VAL 100 Cb 0.00 1.90 0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1xsf h VAL 100 CO 0.00 0.42 -0.98 0.00 0.02 0.00 0.00 177.57 177.03 1xsf h ALA 102 N 0.54 0.38 -0.76 0.00 0.00 -1.58 0.74 119.26 118.58 1xsf h ALA 102 Ca -0.10 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.52 1xsf h ALA 102 Cb 1.63 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 1xsf h ALA 102 CO 0.19 0.24 0.51 0.00 0.00 0.00 0.00 179.25 180.18 1xsf h ALA 103 N 0.75 1.49 -0.05 0.00 0.00 -1.56 0.29 119.26 120.18 1xsf h ALA 103 Ca 0.06 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 1xsf h ALA 103 Cb 0.61 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1xsf h ALA 103 CO 0.04 0.45 -0.76 -0.09 0.00 0.00 0.00 179.25 178.89 1xsf h ARG 104 N 0.99 0.34 0.00 0.00 9.65 -1.22 -3.32 114.38 120.82 1xsf h ARG 104 Ca 0.29 -0.29 -0.07 0.00 -1.10 0.00 0.00 59.98 58.80 1xsf h ARG 104 Cb -0.05 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 1xsf h ARG 104 CO -0.07 0.95 -1.01 0.00 2.80 0.00 0.00 179.97 182.64 1xsf h ALA 105 N 0.96 0.62 0.00 2.80 0.00 0.06 -3.48 119.26 120.22 1xsf h ALA 105 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xsf h ALA 105 Cb 1.34 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1xsf h ALA 105 CO 0.13 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.19 1xsf n GLY 106 N 1.26 0.45 3.76 0.00 0.00 0.70 -4.23 105.19 107.13 1xsf n GLY 106 Ca -0.03 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 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 2.70 0.00 4.61 0.00 0.56 -4.92 121.76 124.71 1xsf s ALA 107 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1xsf s ALA 107 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1xsf s ALA 107 CO 0.00 -0.99 0.37 0.54 0.00 0.00 0.00 175.76 175.68