#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 3.62 -1.93 2.41 0.31 -1.26 -4.90 118.33 116.59 1xsf n VAL 2 Ca 0.00 -2.52 -0.42 0.00 -0.01 0.00 0.00 64.34 61.39 1xsf n VAL 2 Cb 0.00 -2.54 -0.03 0.00 -0.91 0.00 0.00 33.84 30.37 1xsf n VAL 2 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1xsf s VAL 3 N 2.88 3.37 0.05 2.52 1.01 -1.26 -4.98 120.40 123.99 1xsf s VAL 3 Ca 0.58 0.36 -0.00 0.00 0.00 0.00 0.00 61.98 62.91 1xsf s VAL 3 Cb 0.15 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1xsf s VAL 3 CO -0.05 -0.39 0.19 -0.69 0.00 0.00 0.00 175.10 174.16 1xsf s VAL 4 N 7.62 5.32 -0.21 2.92 1.01 -1.26 -5.10 120.40 130.71 1xsf s VAL 4 Ca 0.82 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.39 1xsf s VAL 4 Cb -0.22 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 1xsf s VAL 4 CO 0.32 0.18 -0.04 0.42 0.00 0.00 0.00 175.10 175.98 1xsf s THR 5 N -1.46 3.50 0.96 3.92 -4.23 -1.26 -5.11 115.64 111.96 1xsf s THR 5 Ca 0.33 -0.46 -0.16 0.00 -1.18 0.00 0.00 61.69 60.22 1xsf s THR 5 Cb -0.13 -2.58 0.20 0.00 1.34 0.00 0.00 72.50 71.33 1xsf s THR 5 CO 0.26 0.43 1.32 -2.84 -0.54 0.00 0.00 174.62 173.24 1xsf s PRO 6 N 1.25 0.65 0.00 3.99 0.02 -1.26 -4.92 135.00 134.73 1xsf s PRO 6 Ca 0.03 -0.45 0.00 0.00 0.02 0.00 0.00 61.00 60.60 1xsf s PRO 6 Cb -0.14 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.51 1xsf s PRO 6 CO -0.01 -2.40 0.64 0.00 -0.33 0.00 0.00 177.00 174.90 1xsf n ALA 7 N -3.74 2.33 0.95 -1.55 0.00 -1.26 -2.24 120.51 114.99 1xsf n ALA 7 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.72 1xsf n ALA 7 Cb 0.59 -1.00 0.58 0.00 0.00 0.00 0.00 19.45 19.62 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 0.31 0.00 -2.87 0.00 -0.00 -1.26 -4.82 115.22 106.58 1xsf n HIS 8 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.35 1xsf n HIS 8 Cb 0.32 -0.49 -0.06 0.00 -0.00 0.00 0.00 29.99 29.76 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 -2.97 4.48 -0.84 1.57 -1.05 -0.95 -4.93 118.70 114.01 1xsf s GLU 9 Ca 0.14 1.19 -0.07 0.00 -0.15 0.00 0.00 54.97 56.08 1xsf s GLU 9 Cb 0.18 -2.80 -0.11 0.00 -0.44 0.00 0.00 34.13 30.96 1xsf s GLU 9 CO 0.48 0.30 3.10 0.00 0.95 0.00 0.00 175.26 180.10 1xsf n ALA 10 N 0.57 6.89 0.29 -0.84 0.00 -1.26 -4.43 120.51 121.74 1xsf n ALA 10 Ca 0.01 -2.93 0.17 0.00 0.00 0.00 0.00 53.44 50.69 1xsf n ALA 10 Cb 0.50 -2.75 0.70 0.00 0.00 0.00 0.00 19.45 17.91 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 2.45 0.00 -4.92 0.00 3.04 -1.91 -3.48 116.25 111.42 1xsf h VAL 11 Ca 0.54 -0.45 0.00 0.00 -1.01 0.00 0.00 66.70 65.79 1xsf h VAL 11 Cb 0.79 1.42 -0.05 0.00 -2.01 0.00 0.00 31.29 31.44 1xsf h VAL 11 CO 1.06 0.00 -0.96 0.52 -1.01 0.00 0.00 177.57 177.18 1xsf n VAL 12 N -3.00 -9.97 -1.55 1.51 0.31 -1.26 -4.98 118.33 99.39 1xsf n VAL 12 Ca 0.00 2.24 -0.31 0.00 -0.01 0.00 0.00 64.34 66.26 1xsf n VAL 12 Cb 0.28 -5.22 0.05 0.00 -0.91 0.00 0.00 33.84 28.05 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 -0.47 2.85 0.63 5.55 1.70 -1.26 -5.02 118.95 122.93 1xsf s ARG 13 Ca -0.11 1.01 -0.13 0.00 -0.47 0.00 0.00 55.73 56.04 1xsf s ARG 13 Cb 0.01 -1.98 -0.03 0.00 -0.57 0.00 0.00 34.95 32.38 1xsf s ARG 13 CO 0.29 -1.17 1.04 0.08 -1.08 0.00 0.00 175.30 174.46 1xsf s VAL 14 N -2.97 4.25 -0.69 4.99 1.01 -1.26 -4.99 120.40 120.73 1xsf s VAL 14 Ca 0.59 0.84 0.04 0.00 0.00 0.00 0.00 61.98 63.45 1xsf s VAL 14 Cb -0.15 -3.57 0.30 0.00 0.00 0.00 0.00 36.38 32.96 1xsf s VAL 14 CO 0.54 -0.85 1.03 0.61 0.00 0.00 0.00 175.10 176.42 1xsf n GLY 15 N -1.97 5.37 0.26 4.51 0.00 -1.26 -4.85 105.19 107.25 1xsf n GLY 15 Ca 0.07 -2.75 0.03 0.00 0.00 0.00 0.00 46.02 43.37 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 3.00 1.13 -3.26 2.61 2.02 -2.05 -3.41 112.91 112.94 1xsf h THR 16 Ca 0.21 -0.53 -0.58 0.00 0.77 0.00 0.00 66.41 66.27 1xsf h THR 16 Cb 0.54 1.02 -0.07 0.00 -1.74 0.00 0.00 68.15 67.91 1xsf h THR 16 CO 0.91 0.18 0.78 -0.54 0.37 0.00 0.00 175.52 177.22 1xsf s LYS 17 N -4.95 4.11 1.21 6.66 3.01 -1.26 -5.03 119.74 123.48 1xsf s LYS 17 Ca -0.06 1.10 -0.16 0.00 -1.01 0.00 0.00 55.97 55.84 1xsf s LYS 17 Cb 0.16 -3.71 0.29 0.00 -1.01 0.00 0.00 37.83 33.56 1xsf s LYS 17 CO 0.72 -0.80 1.03 -2.14 0.51 0.00 0.00 175.35 174.67 1xsf s PRO 18 N 3.45 -1.23 0.00 -1.68 0.02 -1.26 -4.86 135.00 129.43 1xsf s PRO 18 Ca 0.44 0.46 0.00 0.00 0.02 0.00 0.00 61.00 61.92 1xsf s PRO 18 Cb -0.13 -1.55 0.00 0.00 0.02 0.00 0.00 34.50 32.84 1xsf s PRO 18 CO 0.12 -3.83 0.00 0.41 -0.33 0.00 0.00 177.00 173.37 1xsf n GLY 19 N 0.31 0.85 0.23 0.52 0.00 -1.26 -5.03 105.19 100.80 1xsf n GLY 19 Ca 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 1.24 -6.06 2.61 2.02 -2.03 -3.48 112.91 107.22 1xsf h THR 20 Ca 0.00 -1.13 -0.14 0.00 0.77 0.00 0.00 66.41 65.91 1xsf h THR 20 Cb 0.00 1.34 0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1xsf h THR 20 CO 0.00 0.35 -0.99 -0.62 0.37 0.00 0.00 175.52 174.63 1xsf n GLU 21 N -4.16 -1.74 -2.39 6.66 4.71 -1.26 -4.86 120.64 117.60 1xsf n GLU 21 Ca -0.00 1.56 -0.43 0.00 -0.01 0.00 0.00 57.16 58.28 1xsf n GLU 21 Cb 0.36 -2.86 -0.02 0.00 -1.01 0.00 0.00 31.44 27.91 1xsf n GLU 21 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1xsf s VAL 22 N -1.55 4.21 0.12 2.62 1.01 -1.26 -4.96 120.40 120.60 1xsf s VAL 22 Ca 0.18 1.46 -0.34 0.00 0.00 0.00 0.00 61.98 63.29 1xsf s VAL 22 Cb -0.03 -3.96 -0.14 0.00 0.00 0.00 0.00 36.38 32.26 1xsf s VAL 22 CO 0.57 -0.15 1.60 -2.65 0.00 0.00 0.00 175.10 174.48 1xsf n PRO 23 N 6.69 2.07 -1.67 2.72 -0.02 -1.26 -4.86 135.00 138.67 1xsf n PRO 23 Ca 0.14 0.75 -0.43 0.00 -2.02 0.00 0.00 63.50 61.94 1xsf n PRO 23 Cb 0.45 -2.52 -0.01 0.00 -0.02 0.00 0.00 33.50 31.40 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 3.79 1.98 -3.09 0.52 -0.04 -1.26 -4.95 135.00 131.95 1xsf n PRO 24 Ca 0.18 0.70 -0.36 0.00 -0.04 0.00 0.00 63.50 63.98 1xsf n PRO 24 Cb 0.28 -2.26 -0.06 0.00 -0.04 0.00 0.00 33.50 31.42 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 -0.86 4.56 0.58 0.52 1.01 -1.26 -4.95 120.40 120.00 1xsf s VAL 25 Ca 0.59 1.29 0.32 0.00 0.00 0.00 0.00 61.98 64.18 1xsf s VAL 25 Cb -0.61 -3.85 0.36 0.00 0.00 0.00 0.00 36.38 32.28 1xsf s VAL 25 CO 0.59 0.18 2.26 0.40 0.00 0.00 0.00 175.10 178.53 1xsf h ILE 26 N 2.68 0.45 -0.18 2.22 1.08 -2.04 0.31 117.51 122.04 1xsf h ILE 26 Ca -0.48 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 1xsf h ILE 26 Cb 1.19 1.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.98 1xsf h ILE 26 CO 0.65 0.01 0.00 0.47 -0.69 0.00 0.00 178.15 178.59 1xsf n ASP 27 N -3.71 2.59 0.00 1.72 9.92 -1.26 -3.88 116.55 121.92 1xsf n ASP 27 Ca -0.03 -1.85 0.04 0.00 -0.53 0.00 0.00 54.79 52.42 1xsf n ASP 27 Cb 0.10 -0.11 0.19 0.00 -0.64 0.00 0.00 41.12 40.65 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 1.32 -0.77 0.17 0.44 0.00 0.11 -0.71 105.19 105.75 1xsf n GLY 28 Ca 0.17 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 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 0.77 -0.48 1.61 0.02 -1.74 0.40 113.55 114.13 1xsf h SER 29 Ca 0.00 -0.79 -0.10 0.00 -0.84 0.00 0.00 61.79 60.05 1xsf h SER 29 Cb 0.14 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1xsf h SER 29 CO 0.00 1.47 -0.09 0.40 -1.14 0.00 0.00 176.83 177.48 1xsf h ILE 30 N 0.16 1.26 -0.18 3.27 1.08 -1.10 -0.06 117.51 121.94 1xsf h ILE 30 Ca -0.14 -1.21 -0.15 0.00 -0.39 0.00 0.00 64.86 62.97 1xsf h ILE 30 Cb 1.67 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 36.37 1xsf h ILE 30 CO 0.19 0.42 -0.52 -0.50 -0.69 0.00 0.00 178.15 177.05 1xsf h TRP 31 N 0.85 0.65 -0.15 1.37 -0.00 -1.21 0.64 115.95 118.10 1xsf h TRP 31 Ca 0.14 -0.22 -0.18 0.00 -0.00 0.00 0.00 58.89 58.62 1xsf h TRP 31 Cb 0.62 -0.13 -0.00 0.00 -0.00 0.00 0.00 29.16 29.65 1xsf h TRP 31 CO 0.04 0.93 -0.66 0.22 -0.00 0.00 0.00 178.44 178.97 1xsf h ASP 32 N 0.41 0.66 0.04 -3.49 3.58 -0.67 0.12 116.42 117.06 1xsf h ASP 32 Ca 0.01 -0.40 -0.14 0.00 0.42 0.00 0.00 57.03 56.93 1xsf h ASP 32 Cb 1.05 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 1xsf h ASP 32 CO 0.10 1.14 -0.47 0.00 -2.88 0.00 0.00 179.24 177.13 1xsf h ALA 33 N 0.85 0.83 -0.36 -0.78 0.00 -0.78 0.13 119.26 119.15 1xsf h ALA 33 Ca -0.02 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 1xsf h ALA 33 Cb 1.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1xsf h ALA 33 CO 0.12 0.66 -0.06 0.82 0.00 0.00 0.00 179.25 180.79 1xsf h ILE 34 N 0.40 1.27 -0.53 0.00 2.04 -0.78 -0.64 117.51 119.28 1xsf h ILE 34 Ca 0.02 -1.11 0.02 0.00 1.00 0.00 0.00 64.86 64.79 1xsf h ILE 34 Cb 0.97 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 1xsf h ILE 34 CO 0.09 0.37 0.35 0.00 0.00 0.00 0.00 178.15 178.95 1xsf h ALA 35 N 0.83 1.67 0.00 1.87 0.00 -0.49 0.46 119.26 123.60 1xsf h ALA 35 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xsf h ALA 35 Cb 0.56 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1xsf h ALA 35 CO 0.03 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.98 1xsf n GLY 36 N -1.46 -1.62 0.13 0.00 0.00 0.44 -0.41 105.19 102.27 1xsf n GLY 36 Ca 0.05 0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.79 0.15 0.00 0.00 4.39 -0.31 -3.37 114.58 114.64 1xsf h GLU 38 Ca -0.56 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 58.89 1xsf h GLU 38 Cb 1.59 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.33 1xsf h GLU 38 CO -0.28 0.92 -0.85 0.00 -1.16 0.00 0.00 179.01 177.65 1xsf n ALA 39 N -2.66 3.38 -1.07 3.43 0.00 -0.62 -4.96 120.51 118.00 1xsf n ALA 39 Ca -0.18 -0.35 -0.03 0.00 0.00 0.00 0.00 53.44 52.88 1xsf n ALA 39 Cb 1.04 -0.46 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 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 1.41 0.59 1.27 0.00 0.00 -0.75 -3.63 105.19 104.09 1xsf n GLY 40 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 0.91 2.71 -0.02 0.00 0.46 -4.83 105.19 101.99 1xsf n GLY 41 Ca -0.03 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 1xsf n GLY 41 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xsf s ASN 42 N -2.85 1.81 0.20 1.61 -0.87 -1.24 -4.97 114.94 108.63 1xsf s ASN 42 Ca 0.00 -1.20 0.26 0.00 -1.57 0.00 0.00 52.86 50.35 1xsf s ASN 42 Cb 0.00 0.36 0.86 0.00 -0.02 0.00 0.00 41.25 42.45 1xsf s ASN 42 CO 0.00 -0.35 1.78 0.79 -2.57 0.00 0.00 177.10 176.75 1xsf n TRP 43 N 4.85 0.85 -0.09 2.20 7.02 -1.26 -0.76 117.44 130.25 1xsf n TRP 43 Ca 0.03 0.26 0.11 0.00 -1.02 0.00 0.00 57.50 56.87 1xsf n TRP 43 Cb 0.45 -0.92 0.25 0.00 -2.42 0.00 0.00 31.31 28.67 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 -1.76 2.36 -1.78 6.99 0.00 -1.26 -3.24 120.51 121.82 1xsf n ALA 44 Ca 0.05 -1.15 -0.37 0.00 0.00 0.00 0.00 53.44 51.97 1xsf n ALA 44 Cb 0.40 -0.80 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.15 3.58 -0.31 0.00 2.07 -1.10 -4.83 121.20 119.46 1xsf s ILE 45 Ca 0.40 1.26 -0.02 0.00 -1.41 0.00 0.00 60.65 60.88 1xsf s ILE 45 Cb 0.22 -3.68 0.12 0.00 0.13 0.00 0.00 42.46 39.25 1xsf s ILE 45 CO 0.29 0.05 0.19 0.21 -1.91 0.00 0.00 174.94 173.78 1xsf s ASN 46 N -1.43 2.95 0.54 4.50 3.84 -1.26 -0.27 114.94 123.82 1xsf s ASN 46 Ca 0.57 -1.52 0.32 0.00 0.21 0.00 0.00 52.86 52.44 1xsf s ASN 46 Cb -0.25 -0.19 1.42 0.00 -0.55 0.00 0.00 41.25 41.69 1xsf s ASN 46 CO 0.31 -0.38 2.01 0.71 -2.79 0.00 0.00 177.10 176.96 1xsf h THR 47 N 5.86 0.17 0.00 -5.21 1.35 -1.95 -3.46 112.91 109.68 1xsf h THR 47 Ca -0.09 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1xsf h THR 47 Cb 1.01 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1xsf h THR 47 CO 0.35 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 176.29 1xsf n GLY 48 N -0.16 0.64 1.21 5.82 0.00 -1.26 -4.94 105.19 106.50 1xsf n GLY 48 Ca -0.00 -0.54 0.10 0.00 0.00 0.00 0.00 46.02 45.58 1xsf n GLY 48 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xsf n ASN 49 N 0.98 3.51 0.00 1.61 3.02 -1.26 -4.87 115.26 118.25 1xsf n ASN 49 Ca 0.00 -2.02 0.00 0.00 -0.03 0.00 0.00 54.58 52.53 1xsf n ASN 49 Cb 0.00 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 1xsf n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xsf n GLY 50 N 1.51 1.66 3.68 7.41 0.00 -1.26 -5.02 105.19 113.18 1xsf n GLY 50 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 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 2.93 0.41 1.61 2.02 -1.26 -2.77 117.35 117.89 1xsf s TYR 51 Ca 0.00 -0.08 0.07 0.00 -0.37 0.00 0.00 57.07 56.69 1xsf s TYR 51 Cb 0.00 -1.46 -0.05 0.00 -0.40 0.00 0.00 41.96 40.05 1xsf s TYR 51 CO 0.00 0.49 0.21 0.71 -1.57 0.00 0.00 175.55 175.39 1xsf s TYR 52 N -1.52 2.62 0.24 2.71 1.51 -0.61 -4.36 117.35 117.94 1xsf s TYR 52 Ca 0.27 -0.57 -0.04 0.00 -1.01 0.00 0.00 57.07 55.72 1xsf s TYR 52 Cb -0.11 -1.99 0.06 0.00 -0.11 0.00 0.00 41.96 39.82 1xsf s TYR 52 CO 0.19 0.14 0.18 0.41 -1.11 0.00 0.00 175.55 175.36 1xsf n GLY 53 N -1.28 -2.99 7.00 0.71 0.00 0.63 -2.61 105.19 106.64 1xsf n GLY 53 Ca -0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 0.30 1.66 0.13 -0.02 0.00 0.06 -2.24 105.19 105.08 1xsf n GLY 54 Ca 0.03 0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.58 1.61 0.31 -1.26 -3.83 118.33 111.58 1xsf n VAL 55 Ca 0.00 -0.07 -0.21 0.00 -0.01 0.00 0.00 64.34 64.05 1xsf n VAL 55 Cb 0.00 -0.11 0.07 0.00 -0.91 0.00 0.00 33.84 32.89 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 -0.85 -6.42 -4.39 5.55 1.13 -0.95 -4.91 117.38 106.53 1xsf n GLN 56 Ca 0.16 0.77 -0.25 0.00 -1.94 0.00 0.00 57.00 55.74 1xsf n GLN 56 Cb 0.26 -5.68 -0.09 0.00 0.11 0.00 0.00 30.24 24.84 1xsf n GLN 56 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1xsf s PHE 57 N -3.42 2.53 0.76 1.08 -0.71 -1.19 -4.70 117.98 112.33 1xsf s PHE 57 Ca 0.20 -0.51 -0.11 0.00 -1.04 0.00 0.00 56.93 55.46 1xsf s PHE 57 Cb -0.09 -1.60 0.05 0.00 -1.21 0.00 0.00 43.02 40.17 1xsf s PHE 57 CO 0.76 0.45 1.08 0.16 -1.34 0.00 0.00 175.22 176.33 1xsf s ASP 58 N -3.73 4.81 0.33 1.98 -4.77 -1.26 -1.58 116.67 112.45 1xsf s ASP 58 Ca 0.35 1.44 0.03 0.00 -3.30 0.00 0.00 52.55 51.07 1xsf s ASP 58 Cb 0.03 -2.22 0.57 0.00 -1.09 0.00 0.00 42.92 40.21 1xsf s ASP 58 CO 0.19 -1.78 1.89 -0.61 0.70 0.00 0.00 175.17 175.56 1xsf h GLN 59 N -0.96 0.65 -0.02 2.11 5.75 -1.90 0.67 115.11 121.41 1xsf h GLN 59 Ca -0.46 -0.11 -0.00 0.00 -0.15 0.00 0.00 58.65 57.93 1xsf h GLN 59 Cb 1.25 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.69 1xsf h GLN 59 CO 0.58 0.59 0.00 0.78 -2.65 0.00 0.00 178.83 178.13 1xsf h GLY 60 N 0.85 0.04 0.99 2.39 0.00 -1.92 0.31 103.07 105.72 1xsf h GLY 60 Ca 0.15 -0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 1xsf h GLY 60 CO -0.00 0.02 0.02 -0.84 0.00 0.00 0.00 176.54 175.74 1xsf h THR 61 N -0.22 1.26 -0.37 4.70 2.02 -1.91 0.19 112.91 118.57 1xsf h THR 61 Ca 0.01 -1.01 0.05 0.00 0.77 0.00 0.00 66.41 66.22 1xsf h THR 61 Cb 0.26 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 1xsf h THR 61 CO 0.00 0.35 0.11 -0.25 0.37 0.00 0.00 175.52 176.11 1xsf h TRP 62 N 0.67 0.19 -0.30 3.16 2.91 -0.73 -0.86 115.95 121.00 1xsf h TRP 62 Ca 0.14 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 60.10 1xsf h TRP 62 Cb 0.47 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 29.07 1xsf h TRP 62 CO 0.04 0.07 -0.16 1.49 -1.03 0.00 0.00 178.44 178.84 1xsf h GLU 63 N 0.25 0.52 -0.58 2.65 4.57 -0.20 0.28 114.58 122.07 1xsf h GLU 63 Ca 0.17 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1xsf h GLU 63 Cb 0.17 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 1xsf h GLU 63 CO -0.20 0.66 0.21 0.00 -1.18 0.00 0.00 179.01 178.51 1xsf h ALA 64 N 1.36 0.76 -0.00 2.92 0.00 0.69 -0.82 119.26 124.17 1xsf h ALA 64 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xsf h ALA 64 Cb 0.55 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1xsf h ALA 64 CO 0.04 0.40 -0.05 0.09 0.00 0.00 0.00 179.25 179.72 1xsf n ASN 65 N -4.45 0.05 -0.67 0.00 3.02 -0.54 -4.93 115.26 107.74 1xsf n ASN 65 Ca 0.03 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 55.00 1xsf n ASN 65 Cb 0.18 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 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 1.50 0.55 0.16 7.41 0.00 -0.31 -4.91 105.19 109.58 1xsf n GLY 66 Ca 0.07 -0.33 0.05 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 -0.67 -3.32 103.07 101.06 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 0.00 1.41 0.00 0.00 0.00 176.54 177.95 1xsf h LEU 68 N 0.00 0.00 -0.65 3.11 4.07 -1.78 0.43 115.31 120.49 1xsf h LEU 68 Ca -0.01 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.81 1xsf h LEU 68 Cb 1.29 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.02 1xsf h LEU 68 CO 0.05 0.00 -0.50 0.08 -1.08 0.00 0.00 178.44 176.99 1xsf h ARG 69 N 0.00 0.44 0.11 1.13 0.11 -1.97 -3.00 114.38 111.19 1xsf h ARG 69 Ca 0.00 -0.25 -0.27 0.00 0.10 0.00 0.00 59.98 59.55 1xsf h ARG 69 Cb 0.06 0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.15 1xsf h ARG 69 CO 0.00 0.84 -1.28 1.88 0.10 0.00 0.00 179.97 181.51 1xsf h TYR 70 N 0.34 0.44 0.00 4.08 0.05 -0.50 -3.47 116.97 117.91 1xsf h TYR 70 Ca 0.01 -0.32 0.00 0.00 0.05 0.00 0.00 58.73 58.48 1xsf h TYR 70 Cb 1.00 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.73 1xsf h TYR 70 CO 0.03 1.27 0.00 0.00 -1.05 0.00 0.00 178.16 178.41 1xsf n ALA 71 N -2.54 0.00 0.00 3.88 0.00 0.18 -4.64 120.51 117.39 1xsf n ALA 71 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 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 -1.18 -3.34 135.00 126.67 1xsf n PRO 72 Ca 0.00 0.29 -0.13 0.00 -2.02 0.00 0.00 63.50 61.64 1xsf n PRO 72 Cb 0.00 -1.57 -0.13 0.00 -0.02 0.00 0.00 33.50 31.78 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 -2.51 0.17 0.49 -0.52 1.70 -1.26 -4.74 118.95 112.28 1xsf s ARG 73 Ca 0.00 0.29 0.20 0.00 -0.47 0.00 0.00 55.73 55.75 1xsf s ARG 73 Cb 0.00 0.02 1.24 0.00 -0.57 0.00 0.00 34.95 35.64 1xsf s ARG 73 CO 0.00 -0.06 2.00 0.00 -1.08 0.00 0.00 175.30 176.16 1xsf h ALA 74 N 6.27 2.27 0.00 7.88 0.00 -1.89 -0.89 119.26 132.90 1xsf h ALA 74 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1xsf h ALA 74 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xsf h ALA 74 CO 0.41 -0.40 -0.06 -0.40 0.00 0.00 0.00 179.25 178.80 1xsf n ASP 75 N -4.43 0.06 -0.03 0.00 5.75 -1.24 -2.16 116.55 114.51 1xsf n ASP 75 Ca 0.09 0.41 -0.04 0.00 -0.01 0.00 0.00 54.79 55.23 1xsf n ASP 75 Cb 0.47 -0.41 -0.13 0.00 -1.03 0.00 0.00 41.12 40.02 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 -1.50 0.53 -4.86 -2.12 7.94 -0.40 -4.36 117.00 112.23 1xsf n LEU 76 Ca 0.07 0.24 -0.31 0.00 -1.11 0.00 0.00 56.01 54.90 1xsf n LEU 76 Cb 0.34 0.22 0.01 0.00 0.53 0.00 0.00 43.42 44.52 1xsf n LEU 76 CO 0.28 0.30 0.71 0.00 -1.11 0.00 0.00 177.39 177.58 1xsf s ALA 77 N -2.76 3.03 0.27 1.96 0.00 -0.84 -4.93 121.76 118.50 1xsf s ALA 77 Ca -0.06 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 51.91 1xsf s ALA 77 Cb 0.08 -3.10 0.04 0.00 0.00 0.00 0.00 23.12 20.14 1xsf s ALA 77 CO 0.83 -0.73 0.36 0.25 0.00 0.00 0.00 175.76 176.48 1xsf n THR 78 N -2.68 0.00 -0.05 0.00 -2.24 -1.26 -4.85 114.28 103.19 1xsf n THR 78 Ca 0.06 -0.93 -0.08 0.00 -2.27 0.00 0.00 64.05 60.83 1xsf n THR 78 Cb 0.54 -0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 68.02 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 -0.26 -0.49 -0.78 3.08 -1.96 -0.71 114.38 113.26 1xsf h ARG 79 Ca -0.13 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1xsf h ARG 79 Cb 0.59 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1xsf h ARG 79 CO 0.19 -0.17 0.14 1.05 -1.07 0.00 0.00 179.97 180.11 1xsf h GLU 80 N -0.27 0.74 0.05 0.04 9.09 -1.95 0.30 114.58 122.58 1xsf h GLU 80 Ca 0.14 -0.13 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 1xsf h GLU 80 Cb 0.48 -0.12 0.00 0.00 -1.65 0.00 0.00 28.75 27.46 1xsf h GLU 80 CO -0.40 0.65 -0.02 0.93 0.05 0.00 0.00 179.01 180.22 1xsf h GLU 81 N 0.72 -0.06 -0.41 1.06 4.39 -1.75 0.10 114.58 118.62 1xsf h GLU 81 Ca 0.16 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.81 1xsf h GLU 81 Cb 0.24 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1xsf h GLU 81 CO -0.01 0.27 -0.00 1.96 -1.16 0.00 0.00 179.01 180.07 1xsf h GLN 82 N -0.40 0.67 -0.15 2.33 4.20 -0.79 -0.46 115.11 120.51 1xsf h GLN 82 Ca -0.01 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.55 1xsf h GLN 82 Cb 0.36 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1xsf h GLN 82 CO 0.01 0.69 0.07 0.82 -0.67 0.00 0.00 178.83 179.74 1xsf h ILE 83 N 0.63 0.99 -0.71 2.54 2.04 -0.32 0.12 117.51 122.79 1xsf h ILE 83 Ca 0.13 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 1xsf h ILE 83 Cb 0.40 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1xsf h ILE 83 CO 0.02 0.03 0.39 0.00 0.00 0.00 0.00 178.15 178.59 1xsf h ALA 84 N 1.08 0.91 -0.08 1.87 0.00 0.03 0.68 119.26 123.74 1xsf h ALA 84 Ca 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1xsf h ALA 84 Cb 0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1xsf h ALA 84 CO -0.05 0.42 -0.03 0.28 0.00 0.00 0.00 179.25 179.87 1xsf h VAL 85 N 0.97 1.31 0.00 0.00 2.07 -0.98 -2.48 116.25 117.15 1xsf h VAL 85 Ca 0.25 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1xsf h VAL 85 Cb 0.03 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1xsf h VAL 85 CO -0.04 0.27 -0.03 0.00 0.02 0.00 0.00 177.57 177.79 1xsf h ALA 86 N 0.65 1.86 -0.58 1.67 0.00 -0.52 -2.46 119.26 119.87 1xsf h ALA 86 Ca 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1xsf h ALA 86 Cb 0.45 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1xsf h ALA 86 CO 0.01 0.04 0.38 0.93 0.00 0.00 0.00 179.25 180.61 1xsf h GLU 87 N 0.00 0.75 -0.78 0.00 4.39 0.82 0.68 114.58 120.44 1xsf h GLU 87 Ca -0.00 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 1xsf h GLU 87 Cb 0.06 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 1xsf h GLU 87 CO 0.00 0.49 0.34 0.28 -1.16 0.00 0.00 179.01 178.96 1xsf h VAL 88 N 0.77 1.26 -0.04 3.13 2.07 -1.18 -2.88 116.25 119.37 1xsf h VAL 88 Ca 0.22 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1xsf h VAL 88 Cb -0.07 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1xsf h VAL 88 CO -0.06 0.32 -0.05 0.74 0.02 0.00 0.00 177.57 178.55 1xsf h THR 89 N 1.13 1.39 -0.35 2.57 2.02 -1.08 -3.25 112.91 115.34 1xsf h THR 89 Ca 0.26 -1.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 1xsf h THR 89 Cb 0.18 2.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 1xsf h THR 89 CO -0.03 0.33 0.18 0.08 0.37 0.00 0.00 175.52 176.46 1xsf h ARG 90 N -0.36 0.47 0.00 6.66 0.11 0.34 -1.14 114.38 120.46 1xsf h ARG 90 Ca 0.01 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.02 1xsf h ARG 90 Cb 0.56 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 31.54 1xsf h ARG 90 CO 0.01 0.36 -0.11 1.37 0.10 0.00 0.00 179.97 181.70 1xsf h LEU 91 N 0.48 0.00 0.00 0.08 8.10 -1.54 -0.29 115.31 122.14 1xsf h LEU 91 Ca 0.12 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.97 1xsf h LEU 91 Cb 0.03 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.23 1xsf h LEU 91 CO -0.02 0.11 -0.88 0.03 -4.11 0.00 0.00 178.44 173.57 1xsf h ARG 92 N 0.00 0.00 0.00 0.17 3.08 -1.28 -3.41 114.38 112.94 1xsf h ARG 92 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1xsf h ARG 92 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1xsf h ARG 92 CO 0.01 0.76 -1.63 0.00 -1.07 0.00 0.00 179.97 178.05 1xsf n GLN 93 N -4.51 0.64 -1.42 0.04 0.00 -1.01 -5.00 117.38 106.13 1xsf n GLN 93 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 57.00 56.76 1xsf n GLN 93 Cb 0.54 -1.66 0.00 0.00 0.00 0.00 0.00 30.24 29.12 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 1.30 0.86 2.79 2.61 0.00 -0.12 -3.60 105.19 109.03 1xsf n GLY 94 Ca -0.06 -0.38 -0.04 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.28 0.00 0.26 1.61 7.02 -1.22 -4.77 117.44 119.05 1xsf n TRP 95 Ca 0.00 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.63 1xsf n TRP 95 Cb 0.30 -2.02 0.48 0.00 -2.42 0.00 0.00 31.31 27.64 1xsf n TRP 95 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1xsf h GLY 96 N 0.00 0.00 2.00 6.99 0.00 -1.90 -2.64 103.07 107.52 1xsf h GLY 96 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 1xsf h GLY 96 CO 0.12 0.00 -0.67 0.00 0.00 0.00 0.00 176.54 175.99 1xsf h ALA 97 N 2.00 0.61 -2.32 3.60 0.00 -1.87 -3.40 119.26 117.89 1xsf h ALA 97 Ca 0.00 -0.61 -0.74 0.00 0.00 0.00 0.00 54.91 53.56 1xsf h ALA 97 Cb 0.71 -0.11 -0.24 0.00 0.00 0.00 0.00 17.79 18.15 1xsf h ALA 97 CO 0.00 0.84 -0.32 -1.58 0.00 0.00 0.00 179.25 178.19 1xsf s TRP 98 N -2.99 3.26 0.00 0.00 0.51 -1.00 -5.02 118.94 113.71 1xsf s TRP 98 Ca 0.02 -1.12 0.00 0.00 -2.12 0.00 0.00 56.10 52.88 1xsf s TRP 98 Cb 0.09 -3.32 0.00 0.00 -0.81 0.00 0.00 33.47 29.43 1xsf s TRP 98 CO 0.77 -0.87 0.02 -2.30 -0.51 0.00 0.00 176.95 174.06 1xsf n PRO 99 N 5.17 0.00 0.16 4.98 -0.02 -1.26 -3.55 135.00 140.47 1xsf n PRO 99 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1xsf n PRO 99 Cb 0.43 -0.20 0.24 0.00 -0.02 0.00 0.00 33.50 33.94 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 1.37 0.05 -1.45 2.07 -1.95 -3.22 116.25 113.13 1xsf h VAL 100 Ca 0.00 -1.81 -0.26 0.00 0.82 0.00 0.00 66.70 65.45 1xsf h VAL 100 Cb 0.00 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1xsf h VAL 100 CO 0.00 0.51 -1.33 0.00 0.02 0.00 0.00 177.57 176.77 1xsf h ALA 102 N 0.78 0.48 -0.60 0.00 0.00 -1.60 0.24 119.26 118.57 1xsf h ALA 102 Ca -0.15 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xsf h ALA 102 Cb 1.92 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 1xsf h ALA 102 CO 0.14 0.38 0.36 0.00 0.00 0.00 0.00 179.25 180.14 1xsf h ALA 103 N 0.79 1.52 -0.16 0.00 0.00 -1.59 0.28 119.26 120.10 1xsf h ALA 103 Ca 0.08 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 1xsf h ALA 103 Cb 0.67 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1xsf h ALA 103 CO 0.05 0.42 -0.73 0.00 0.00 0.00 0.00 179.25 178.99 1xsf h ARG 104 N 0.82 0.73 0.00 0.00 3.08 -1.20 -3.31 114.38 114.49 1xsf h ARG 104 Ca 0.22 -0.57 -0.05 0.00 0.07 0.00 0.00 59.98 59.65 1xsf h ARG 104 Cb -0.04 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1xsf h ARG 104 CO -0.04 1.18 -0.32 0.00 -1.07 0.00 0.00 179.97 179.72 1xsf h ALA 105 N 0.67 0.82 0.00 0.04 0.00 0.21 -3.47 119.26 117.52 1xsf h ALA 105 Ca -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1xsf h ALA 105 Cb 1.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1xsf h ALA 105 CO 0.15 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.12 1xsf n GLY 106 N 1.17 0.50 3.75 0.00 0.00 0.69 -4.30 105.19 107.00 1xsf n GLY 106 Ca 0.02 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.34 2.54 0.00 4.61 0.00 0.42 -4.94 121.76 124.04 1xsf s ALA 107 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1xsf s ALA 107 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1xsf s ALA 107 CO 0.00 -1.31 0.22 0.54 0.00 0.00 0.00 175.76 175.21