#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 0.07 -1.74 2.41 3.14 -1.26 -5.02 118.33 115.92 1xsf n VAL 2 Ca 0.00 -0.53 -0.42 0.00 -2.96 0.00 0.00 64.34 60.43 1xsf n VAL 2 Cb 0.00 1.14 -0.01 0.00 -1.06 0.00 0.00 33.84 33.91 1xsf n VAL 2 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1xsf n VAL 3 N 0.48 1.83 -1.82 1.55 3.14 -1.26 -4.94 118.33 117.32 1xsf n VAL 3 Ca 0.05 -0.46 -0.40 0.00 -2.96 0.00 0.00 64.34 60.58 1xsf n VAL 3 Cb 0.23 -1.81 0.01 0.00 -1.06 0.00 0.00 33.84 31.22 1xsf n VAL 3 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1xsf s VAL 4 N -0.92 2.12 -0.12 1.55 0.11 -1.26 -4.98 120.40 116.90 1xsf s VAL 4 Ca 0.56 0.11 -0.14 0.00 -2.93 0.00 0.00 61.98 59.57 1xsf s VAL 4 Cb -0.52 -3.06 -0.05 0.00 -1.53 0.00 0.00 36.38 31.22 1xsf s VAL 4 CO 0.61 0.02 0.34 0.28 -3.33 0.00 0.00 175.10 173.01 1xsf s THR 5 N -1.20 5.24 0.92 5.04 -1.32 -1.26 -5.09 115.64 117.97 1xsf s THR 5 Ca 0.60 0.66 -0.12 0.00 -1.21 0.00 0.00 61.69 61.62 1xsf s THR 5 Cb -0.43 -3.67 0.20 0.00 -1.51 0.00 0.00 72.50 67.09 1xsf s THR 5 CO 0.56 0.43 1.25 -2.16 -2.21 0.00 0.00 174.62 172.50 1xsf s PRO 6 N 0.09 0.73 -1.15 7.08 0.05 -1.26 -4.63 135.00 135.91 1xsf s PRO 6 Ca 0.20 -0.72 -0.04 0.00 0.05 0.00 0.00 61.00 60.48 1xsf s PRO 6 Cb -0.14 -1.97 -0.03 0.00 0.05 0.00 0.00 34.50 32.41 1xsf s PRO 6 CO 0.07 -2.27 0.91 0.00 0.05 0.00 0.00 177.00 175.75 1xsf n ALA 7 N -3.57 -2.27 1.03 8.56 0.00 -1.26 -4.89 120.51 118.11 1xsf n ALA 7 Ca 0.17 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.73 1xsf n ALA 7 Cb 0.60 -3.96 0.49 0.00 0.00 0.00 0.00 19.45 16.58 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 -3.77 0.00 -1.99 0.00 -0.00 -1.26 -4.88 115.22 103.32 1xsf n HIS 8 Ca -0.18 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.59 1xsf n HIS 8 Cb 0.64 -0.38 -0.02 0.00 -0.12 0.00 0.00 29.99 30.11 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 -2.96 4.25 -0.97 1.57 -1.05 -1.26 -4.92 118.70 113.36 1xsf s GLU 9 Ca 0.14 2.34 -0.01 0.00 -0.15 0.00 0.00 54.97 57.29 1xsf s GLU 9 Cb 0.19 -3.09 0.31 0.00 -0.44 0.00 0.00 34.13 31.09 1xsf s GLU 9 CO 0.59 -0.42 1.43 0.00 0.95 0.00 0.00 175.26 177.81 1xsf n ALA 10 N 2.02 5.23 -0.05 -0.84 0.00 -1.26 -4.65 120.51 120.96 1xsf n ALA 10 Ca 0.06 -4.75 -0.01 0.00 0.00 0.00 0.00 53.44 48.74 1xsf n ALA 10 Cb 0.40 -2.00 -0.00 0.00 0.00 0.00 0.00 19.45 17.85 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 3.06 0.00 -4.71 0.00 2.07 -1.98 -3.49 116.25 111.19 1xsf h VAL 11 Ca 0.28 -0.87 -0.15 0.00 0.82 0.00 0.00 66.70 66.78 1xsf h VAL 11 Cb 0.54 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1xsf h VAL 11 CO 1.20 0.00 -0.72 0.55 0.02 0.00 0.00 177.57 178.61 1xsf n VAL 12 N -4.38 -1.96 -1.42 2.57 3.14 -1.26 -4.66 118.33 110.35 1xsf n VAL 12 Ca -0.02 0.16 0.00 0.00 -2.96 0.00 0.00 64.34 61.52 1xsf n VAL 12 Cb 0.06 -2.10 0.00 0.00 -1.06 0.00 0.00 33.84 30.75 1xsf n VAL 12 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1xsf n ARG 13 N 0.34 -4.06 -4.03 1.45 0.63 -1.26 -5.01 116.66 104.72 1xsf n ARG 13 Ca -0.03 3.03 -0.21 0.00 -0.92 0.00 0.00 57.85 59.71 1xsf n ARG 13 Cb 0.39 -3.44 -0.03 0.00 0.45 0.00 0.00 32.46 29.83 1xsf n ARG 13 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1xsf s VAL 14 N -3.43 4.67 0.05 5.15 1.01 -1.26 -5.05 120.40 121.55 1xsf s VAL 14 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1xsf s VAL 14 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1xsf s VAL 14 CO 0.00 -0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.38 1xsf n GLY 15 N -1.28 -0.03 0.31 4.51 0.00 -1.26 -4.74 105.19 102.70 1xsf n GLY 15 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 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 1.26 -3.24 2.61 2.02 -2.05 -3.36 112.91 110.15 1xsf h THR 16 Ca 0.00 -1.07 -0.74 0.00 0.77 0.00 0.00 66.41 65.37 1xsf h THR 16 Cb 0.49 0.74 -0.27 0.00 -1.74 0.00 0.00 68.15 67.37 1xsf h THR 16 CO 0.00 0.39 -0.31 -0.54 0.37 0.00 0.00 175.52 175.44 1xsf s LYS 17 N -5.09 2.72 0.65 6.66 -0.14 -1.26 -5.08 119.74 118.20 1xsf s LYS 17 Ca -0.11 -1.79 -0.15 0.00 -1.36 0.00 0.00 55.97 52.56 1xsf s LYS 17 Cb 0.14 -4.08 -0.01 0.00 -1.68 0.00 0.00 37.83 32.20 1xsf s LYS 17 CO 0.84 -1.25 1.09 -2.14 -0.76 0.00 0.00 175.35 173.13 1xsf s PRO 18 N 1.37 2.94 0.00 -1.68 0.02 -1.26 -4.30 135.00 132.09 1xsf s PRO 18 Ca 0.05 1.29 0.00 0.00 0.02 0.00 0.00 61.00 62.37 1xsf s PRO 18 Cb -0.27 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.28 1xsf s PRO 18 CO 0.00 -1.13 0.00 0.41 -0.33 0.00 0.00 177.00 175.96 1xsf n GLY 19 N -0.79 0.51 0.33 0.52 0.00 -1.26 -4.97 105.19 99.53 1xsf n GLY 19 Ca 0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 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 1.13 -3.32 2.61 2.02 -1.90 -3.41 112.91 110.03 1xsf h THR 20 Ca 0.00 -0.37 -0.18 0.00 0.77 0.00 0.00 66.41 66.62 1xsf h THR 20 Cb 0.77 -0.06 -0.26 0.00 -1.74 0.00 0.00 68.15 66.86 1xsf h THR 20 CO 0.00 0.20 -0.52 -1.61 0.37 0.00 0.00 175.52 173.96 1xsf s GLU 21 N -6.09 0.20 -0.27 6.66 2.02 -1.26 -5.03 118.70 114.93 1xsf s GLU 21 Ca -0.13 0.23 -0.29 0.00 0.02 0.00 0.00 54.97 54.81 1xsf s GLU 21 Cb 0.18 0.10 -0.02 0.00 0.10 0.00 0.00 34.13 34.49 1xsf s GLU 21 CO 0.80 -0.02 1.55 0.08 0.02 0.00 0.00 175.26 177.69 1xsf s VAL 22 N 0.08 3.78 0.03 2.63 1.01 -1.26 -4.86 120.40 121.81 1xsf s VAL 22 Ca -0.00 0.86 -0.35 0.00 0.00 0.00 0.00 61.98 62.49 1xsf s VAL 22 Cb -0.01 -3.84 -0.14 0.00 0.00 0.00 0.00 36.38 32.39 1xsf s VAL 22 CO 0.00 -0.39 1.66 -2.65 0.00 0.00 0.00 175.10 173.73 1xsf n PRO 23 N 7.72 1.95 -1.72 2.72 -0.02 -1.26 -4.90 135.00 139.48 1xsf n PRO 23 Ca 0.18 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.95 1xsf n PRO 23 Cb 0.46 -2.48 -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 4.54 2.30 -4.94 0.52 -0.04 -1.26 -4.96 135.00 131.16 1xsf n PRO 24 Ca 0.20 0.81 -0.33 0.00 -0.04 0.00 0.00 63.50 64.14 1xsf n PRO 24 Cb 0.26 -2.45 -0.14 0.00 -0.04 0.00 0.00 33.50 31.14 1xsf n PRO 24 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xsf s VAL 25 N -1.11 2.88 0.57 0.52 1.01 -1.26 -5.01 120.40 117.99 1xsf s VAL 25 Ca 0.55 -0.77 0.33 0.00 0.00 0.00 0.00 61.98 62.09 1xsf s VAL 25 Cb -0.53 -2.13 0.37 0.00 0.00 0.00 0.00 36.38 34.08 1xsf s VAL 25 CO 0.63 0.57 2.25 0.40 0.00 0.00 0.00 175.10 178.95 1xsf h ILE 26 N 4.70 0.40 -0.23 2.22 1.08 -2.00 0.19 117.51 123.87 1xsf h ILE 26 Ca -0.39 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 1xsf h ILE 26 Cb 1.17 1.07 0.00 0.00 -3.07 0.00 0.00 36.82 35.99 1xsf h ILE 26 CO 0.51 0.02 0.00 0.47 -0.69 0.00 0.00 178.15 178.46 1xsf n ASP 27 N -3.61 3.14 0.05 1.72 8.00 -1.26 -4.12 116.55 120.46 1xsf n ASP 27 Ca -0.03 -1.97 0.06 0.00 0.71 0.00 0.00 54.79 53.56 1xsf n ASP 27 Cb 0.11 -0.14 0.27 0.00 -0.02 0.00 0.00 41.12 41.34 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 1.42 -0.82 0.18 0.44 0.00 0.67 -0.77 105.19 106.32 1xsf n GLY 28 Ca 0.17 0.03 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 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 0.81 -0.42 1.61 0.02 -1.75 -0.64 113.55 113.17 1xsf h SER 29 Ca 0.00 -0.74 -0.12 0.00 -0.84 0.00 0.00 61.79 60.09 1xsf h SER 29 Cb 0.12 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1xsf h SER 29 CO 0.00 1.44 -0.21 0.40 -1.14 0.00 0.00 176.83 177.32 1xsf h ILE 30 N 0.26 1.27 -0.30 3.27 1.08 -1.15 -1.56 117.51 120.38 1xsf h ILE 30 Ca -0.11 -1.35 -0.11 0.00 -0.39 0.00 0.00 64.86 62.90 1xsf h ILE 30 Cb 1.57 1.13 -0.01 0.00 -3.07 0.00 0.00 36.82 36.44 1xsf h ILE 30 CO 0.18 0.46 -0.28 -0.50 -0.69 0.00 0.00 178.15 177.32 1xsf h TRP 31 N 0.80 0.69 -0.14 1.37 -0.00 -1.24 0.14 115.95 117.57 1xsf h TRP 31 Ca 0.11 -0.16 -0.20 0.00 -0.00 0.00 0.00 58.89 58.64 1xsf h TRP 31 Cb 0.76 -0.16 0.00 0.00 -0.00 0.00 0.00 29.16 29.76 1xsf h TRP 31 CO 0.05 0.82 -0.72 0.22 -0.00 0.00 0.00 178.44 178.81 1xsf h ASP 32 N 0.53 0.73 0.19 -3.49 3.58 -0.88 0.18 116.42 117.25 1xsf h ASP 32 Ca 0.07 -0.46 -0.14 0.00 0.42 0.00 0.00 57.03 56.91 1xsf h ASP 32 Cb 0.75 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 1xsf h ASP 32 CO 0.06 1.23 -0.54 0.00 -2.88 0.00 0.00 179.24 177.11 1xsf h ALA 33 N 0.76 0.84 -0.17 -0.78 0.00 -1.02 0.53 119.26 119.42 1xsf h ALA 33 Ca -0.03 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 1xsf h ALA 33 Cb 1.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1xsf h ALA 33 CO 0.14 0.68 -0.04 0.82 0.00 0.00 0.00 179.25 180.85 1xsf h ILE 34 N 0.29 1.29 -0.35 0.00 2.04 -0.57 -1.61 117.51 118.59 1xsf h ILE 34 Ca 0.01 -1.00 -0.04 0.00 1.00 0.00 0.00 64.86 64.83 1xsf h ILE 34 Cb 1.04 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 1xsf h ILE 34 CO 0.09 0.30 0.05 0.00 0.00 0.00 0.00 178.15 178.59 1xsf h ALA 35 N 0.72 1.43 0.00 1.87 0.00 -0.59 0.88 119.26 123.57 1xsf h ALA 35 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xsf h ALA 35 Cb 0.47 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1xsf h ALA 35 CO 0.02 0.41 0.00 0.78 0.00 0.00 0.00 179.25 180.45 1xsf h GLY 36 N 0.78 0.00 0.00 0.00 0.00 -0.76 0.12 103.07 103.22 1xsf h GLY 36 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1xsf h GLY 36 CO 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 176.54 176.34 1xsf h GLU 38 N -0.55 0.00 0.00 0.00 5.08 -1.39 -3.33 114.58 114.39 1xsf h GLU 38 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xsf h GLU 38 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1xsf h GLU 38 CO 0.00 0.53 -0.72 0.00 -1.00 0.00 0.00 179.01 177.82 1xsf n ALA 39 N -2.52 3.71 -1.06 3.43 0.00 -0.80 -4.91 120.51 118.37 1xsf n ALA 39 Ca -0.14 -0.40 -0.02 0.00 0.00 0.00 0.00 53.44 52.87 1xsf n ALA 39 Cb 1.02 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 1.46 0.56 1.65 0.00 0.00 -1.00 -3.24 105.19 104.62 1xsf n GLY 40 Ca 0.04 -0.49 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.39 0.27 2.56 -0.02 0.00 0.37 -4.87 105.19 101.11 1xsf n GLY 41 Ca -0.02 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.29 3.35 0.10 1.61 3.04 -1.20 -4.94 114.94 113.61 1xsf s ASN 42 Ca 0.02 -1.23 0.27 0.00 0.04 0.00 0.00 52.86 51.95 1xsf s ASN 42 Cb -0.00 -0.27 0.82 0.00 -1.54 0.00 0.00 41.25 40.26 1xsf s ASN 42 CO 0.18 -0.43 1.70 0.79 -3.04 0.00 0.00 177.10 176.29 1xsf n TRP 43 N 5.26 0.45 -0.36 0.43 7.02 -1.26 -0.80 117.44 128.18 1xsf n TRP 43 Ca -0.06 0.13 0.09 0.00 -1.02 0.00 0.00 57.50 56.65 1xsf n TRP 43 Cb 0.42 -0.67 0.26 0.00 -2.42 0.00 0.00 31.31 28.91 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 -1.67 2.41 -1.77 6.99 0.00 -1.26 -3.46 120.51 121.76 1xsf n ALA 44 Ca 0.06 -1.32 -0.38 0.00 0.00 0.00 0.00 53.44 51.79 1xsf n ALA 44 Cb 0.39 -0.75 -0.04 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 -1.18 3.54 -0.38 0.00 2.07 -1.18 -4.85 121.20 119.22 1xsf s ILE 45 Ca 0.40 1.31 0.02 0.00 -1.41 0.00 0.00 60.65 60.97 1xsf s ILE 45 Cb 0.22 -3.74 0.15 0.00 0.13 0.00 0.00 42.46 39.22 1xsf s ILE 45 CO 0.25 0.14 0.30 0.21 -1.91 0.00 0.00 174.94 173.93 1xsf s ASN 46 N -1.27 1.97 0.38 4.50 3.84 -1.26 -0.06 114.94 123.04 1xsf s ASN 46 Ca 0.53 -2.24 0.20 0.00 0.21 0.00 0.00 52.86 51.57 1xsf s ASN 46 Cb -0.27 -0.08 0.62 0.00 -0.55 0.00 0.00 41.25 40.98 1xsf s ASN 46 CO 0.34 -0.25 1.70 0.71 -2.79 0.00 0.00 177.10 176.81 1xsf h THR 47 N 4.92 0.69 0.00 -5.21 1.35 -1.96 -3.47 112.91 109.24 1xsf h THR 47 Ca 0.11 -1.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 1xsf h THR 47 Cb 0.98 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1xsf h THR 47 CO 0.26 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 1xsf n GLY 48 N 0.48 0.77 0.00 5.82 0.00 -1.26 -4.96 105.19 106.04 1xsf n GLY 48 Ca 0.01 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 0.72 0.00 0.00 1.61 5.15 -1.26 -4.80 115.26 116.69 1xsf n ASN 49 Ca 0.00 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.14 1xsf n ASN 49 Cb 0.00 -0.37 0.00 0.00 -0.53 0.00 0.00 39.78 38.88 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 0.67 1.45 3.61 8.20 0.00 -1.26 -5.02 105.19 112.84 1xsf n GLY 50 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.32 2.60 0.37 1.61 2.02 -1.26 -1.74 117.35 118.62 1xsf s TYR 51 Ca 0.00 -0.28 0.06 0.00 -0.37 0.00 0.00 57.07 56.48 1xsf s TYR 51 Cb 0.00 -1.21 -0.07 0.00 -0.40 0.00 0.00 41.96 40.27 1xsf s TYR 51 CO 0.00 0.61 0.02 0.71 -1.57 0.00 0.00 175.55 175.32 1xsf s TYR 52 N -2.39 2.26 1.24 2.71 1.51 -0.85 -4.49 117.35 117.34 1xsf s TYR 52 Ca 0.32 -0.77 -0.15 0.00 -1.01 0.00 0.00 57.07 55.45 1xsf s TYR 52 Cb -0.05 -1.53 0.30 0.00 -0.11 0.00 0.00 41.96 40.58 1xsf s TYR 52 CO 0.19 0.27 0.91 0.41 -1.11 0.00 0.00 175.55 176.23 1xsf n GLY 53 N -0.83 -2.44 4.27 0.71 0.00 0.91 -2.38 105.19 105.44 1xsf n GLY 53 Ca -0.04 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 1.28 1.44 0.23 -0.02 0.00 0.02 -3.72 105.19 104.41 1xsf n GLY 54 Ca 0.03 -0.50 0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 0.01 -3.61 1.61 0.31 -1.26 -4.06 118.33 111.32 1xsf n VAL 55 Ca 0.00 -0.12 -0.22 0.00 -0.01 0.00 0.00 64.34 63.98 1xsf n VAL 55 Cb 0.00 -0.03 0.07 0.00 -0.91 0.00 0.00 33.84 32.97 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 -0.43 -6.74 -4.48 5.55 1.13 -1.00 -4.91 117.38 106.49 1xsf n GLN 56 Ca 0.21 0.77 -0.25 0.00 -1.94 0.00 0.00 57.00 55.78 1xsf n GLN 56 Cb 0.22 -5.72 -0.10 0.00 0.11 0.00 0.00 30.24 24.75 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 -3.38 2.43 0.82 1.08 -0.71 -1.23 -4.68 117.98 112.30 1xsf s PHE 57 Ca 0.33 -0.46 -0.12 0.00 -1.04 0.00 0.00 56.93 55.65 1xsf s PHE 57 Cb -0.15 -1.36 0.08 0.00 -1.21 0.00 0.00 43.02 40.38 1xsf s PHE 57 CO 0.76 0.58 1.10 0.16 -1.34 0.00 0.00 175.22 176.48 1xsf s ASP 58 N -3.62 4.31 0.22 1.98 -4.77 -1.26 -2.01 116.67 111.51 1xsf s ASP 58 Ca 0.33 1.26 -0.08 0.00 -3.30 0.00 0.00 52.55 50.75 1xsf s ASP 58 Cb 0.01 -1.97 0.22 0.00 -1.09 0.00 0.00 42.92 40.09 1xsf s ASP 58 CO 0.17 -2.08 1.88 -0.61 0.70 0.00 0.00 175.17 175.23 1xsf h GLN 59 N -1.17 1.03 -0.03 2.11 5.75 -1.71 -2.24 115.11 118.86 1xsf h GLN 59 Ca -0.48 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 57.95 1xsf h GLN 59 Cb 1.28 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 29.60 1xsf h GLN 59 CO 0.59 0.68 -0.01 0.78 -2.65 0.00 0.00 178.83 178.23 1xsf h GLY 60 N 1.06 0.06 1.00 2.39 0.00 -1.92 0.22 103.07 105.88 1xsf h GLY 60 Ca 0.32 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 1xsf h GLY 60 CO -0.09 0.05 0.33 -0.84 0.00 0.00 0.00 176.54 175.98 1xsf h THR 61 N -0.34 1.22 -0.06 4.70 2.02 -1.94 0.50 112.91 119.01 1xsf h THR 61 Ca 0.01 -0.61 0.03 0.00 0.77 0.00 0.00 66.41 66.60 1xsf h THR 61 Cb 0.43 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1xsf h THR 61 CO 0.00 0.26 -0.10 -0.25 0.37 0.00 0.00 175.52 175.80 1xsf h TRP 62 N 0.91 -0.25 -0.61 3.16 2.91 -1.29 -1.84 115.95 118.95 1xsf h TRP 62 Ca 0.23 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.20 1xsf h TRP 62 Cb 0.11 0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 28.85 1xsf h TRP 62 CO 0.00 -0.15 0.12 1.49 -1.03 0.00 0.00 178.44 178.87 1xsf h GLU 63 N -0.14 0.97 -0.40 2.65 4.81 -0.05 0.66 114.58 123.08 1xsf h GLU 63 Ca 0.06 -0.23 -0.10 0.00 -0.13 0.00 0.00 59.36 58.97 1xsf h GLU 63 Cb 0.23 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1xsf h GLU 63 CO -0.15 0.88 -0.12 0.00 -0.73 0.00 0.00 179.01 178.89 1xsf h ALA 64 N 1.21 0.55 0.00 2.92 0.00 0.33 -1.25 119.26 123.02 1xsf h ALA 64 Ca 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xsf h ALA 64 Cb 0.36 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1xsf h ALA 64 CO 0.00 0.44 0.00 0.09 0.00 0.00 0.00 179.25 179.79 1xsf n ASN 65 N -4.31 0.00 -0.44 0.00 5.03 -0.72 -4.90 115.26 109.92 1xsf n ASN 65 Ca -0.01 0.34 0.00 0.00 0.87 0.00 0.00 54.58 55.78 1xsf n ASN 65 Cb 0.38 -0.44 0.00 0.00 -1.02 0.00 0.00 39.78 38.70 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 1.15 0.59 0.14 7.41 0.00 -0.47 -4.97 105.19 109.03 1xsf n GLY 66 Ca 0.08 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 0.14 -3.32 103.07 101.86 1xsf h GLY 67 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1xsf h GLY 67 CO 0.00 0.00 -0.24 1.41 0.00 0.00 0.00 176.54 177.71 1xsf h LEU 68 N 0.00 0.00 -1.36 3.11 3.38 -1.76 0.15 115.31 118.83 1xsf h LEU 68 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1xsf h LEU 68 Cb 0.82 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1xsf h LEU 68 CO 0.00 0.24 -0.19 0.08 0.09 0.00 0.00 178.44 178.66 1xsf h ARG 69 N 0.00 0.19 0.04 1.13 0.11 -1.97 -1.90 114.38 111.99 1xsf h ARG 69 Ca -0.00 -0.05 -0.23 0.00 0.10 0.00 0.00 59.98 59.79 1xsf h ARG 69 Cb 0.46 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.52 1xsf h ARG 69 CO 0.03 0.38 -1.03 1.88 0.10 0.00 0.00 179.97 181.34 1xsf h TYR 70 N 0.18 0.48 0.00 4.08 0.05 -1.04 -3.47 116.97 117.25 1xsf h TYR 70 Ca 0.03 -0.29 0.00 0.00 0.05 0.00 0.00 58.73 58.52 1xsf h TYR 70 Cb 0.44 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.14 1xsf h TYR 70 CO 0.01 1.15 0.00 0.00 -1.05 0.00 0.00 178.16 178.26 1xsf n ALA 71 N -2.51 0.00 0.00 3.88 0.00 -0.04 -4.66 120.51 117.18 1xsf n ALA 71 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1xsf n ALA 71 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.34 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 -3.80 0.00 -0.02 -0.84 -3.61 135.00 126.73 1xsf n PRO 72 Ca 0.00 0.19 -0.13 0.00 -2.02 0.00 0.00 63.50 61.55 1xsf n PRO 72 Cb 0.00 -1.63 -0.11 0.00 -0.02 0.00 0.00 33.50 31.74 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 -2.24 0.36 0.44 -0.52 1.70 -1.26 -4.79 118.95 112.65 1xsf s ARG 73 Ca 0.00 0.17 0.12 0.00 -0.47 0.00 0.00 55.73 55.55 1xsf s ARG 73 Cb 0.00 0.17 1.01 0.00 -0.57 0.00 0.00 34.95 35.56 1xsf s ARG 73 CO 0.00 -0.06 2.04 0.00 -1.08 0.00 0.00 175.30 176.20 1xsf h ALA 74 N 5.31 1.91 0.00 7.88 0.00 -1.89 -1.92 119.26 130.56 1xsf h ALA 74 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xsf h ALA 74 Cb 1.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1xsf h ALA 74 CO 0.37 0.02 -0.01 -0.40 0.00 0.00 0.00 179.25 179.22 1xsf n ASP 75 N -4.48 0.05 0.01 0.00 5.75 -1.25 -2.16 116.55 114.48 1xsf n ASP 75 Ca 0.05 0.48 -0.12 0.00 -0.01 0.00 0.00 54.79 55.20 1xsf n ASP 75 Cb 0.21 -0.49 -0.14 0.00 -1.03 0.00 0.00 41.12 39.67 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 0.00 0.14-10.37 -2.12 5.85 -1.61 -3.39 115.31 103.81 1xsf h LEU 76 Ca 0.00 -0.24 -0.50 0.00 0.84 0.00 0.00 57.88 57.98 1xsf h LEU 76 Cb 0.51 -0.04 0.06 0.00 0.37 0.00 0.00 40.66 41.55 1xsf h LEU 76 CO 0.00 1.20 0.33 0.00 -0.34 0.00 0.00 178.44 179.63 1xsf s ALA 77 N -2.62 3.16 0.04 1.25 0.00 -0.92 -4.99 121.76 117.68 1xsf s ALA 77 Ca -0.07 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.62 1xsf s ALA 77 Cb 0.08 -2.92 0.01 0.00 0.00 0.00 0.00 23.12 20.29 1xsf s ALA 77 CO 0.82 -0.69 0.05 0.25 0.00 0.00 0.00 175.76 176.19 1xsf n THR 78 N -2.66 0.00 -0.11 0.00 -2.24 -1.26 -4.76 114.28 103.25 1xsf n THR 78 Ca 0.05 -0.12 -0.07 0.00 -2.27 0.00 0.00 64.05 61.64 1xsf n THR 78 Cb 0.55 -0.94 -0.00 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 -0.21 -0.72 -0.78 3.08 -1.95 -2.10 114.38 111.71 1xsf h ARG 79 Ca -0.02 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1xsf h ARG 79 Cb 0.08 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1xsf h ARG 79 CO 0.02 -0.14 0.43 1.05 -1.07 0.00 0.00 179.97 180.27 1xsf h GLU 80 N -0.21 0.97 0.06 0.04 4.11 -1.94 0.35 114.58 117.96 1xsf h GLU 80 Ca 0.18 -0.09 -0.00 0.00 0.07 0.00 0.00 59.36 59.52 1xsf h GLU 80 Cb 0.51 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1xsf h GLU 80 CO -0.51 0.69 -0.03 0.93 0.07 0.00 0.00 179.01 180.16 1xsf h GLU 81 N 0.98 -0.07 -0.60 1.06 3.07 -1.86 -1.84 114.58 115.31 1xsf h GLU 81 Ca 0.26 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.10 1xsf h GLU 81 Cb -0.03 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.87 1xsf h GLU 81 CO -0.05 0.11 0.29 1.96 -1.40 0.00 0.00 179.01 179.92 1xsf h GLN 82 N -0.25 0.85 -0.62 2.33 4.20 -0.85 -0.42 115.11 120.36 1xsf h GLN 82 Ca -0.01 -0.11 0.02 0.00 0.06 0.00 0.00 58.65 58.61 1xsf h GLN 82 Cb 0.22 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1xsf h GLN 82 CO 0.01 0.66 0.40 0.82 -0.67 0.00 0.00 178.83 180.05 1xsf h ILE 83 N 0.85 1.12 -0.27 2.54 2.04 -0.24 0.20 117.51 123.75 1xsf h ILE 83 Ca 0.21 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 1xsf h ILE 83 Cb 0.09 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1xsf h ILE 83 CO -0.03 0.15 -0.02 0.00 0.00 0.00 0.00 178.15 178.25 1xsf h ALA 84 N 1.25 0.37 0.01 1.87 0.00 -0.35 0.15 119.26 122.56 1xsf h ALA 84 Ca 0.24 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xsf h ALA 84 Cb -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1xsf h ALA 84 CO -0.07 0.13 -0.01 0.28 0.00 0.00 0.00 179.25 179.58 1xsf h VAL 85 N 0.27 1.28 -0.07 0.00 2.07 -0.91 -2.63 116.25 116.27 1xsf h VAL 85 Ca 0.08 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 1xsf h VAL 85 Cb 0.46 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1xsf h VAL 85 CO 0.02 0.23 -0.14 0.00 0.02 0.00 0.00 177.57 177.70 1xsf h ALA 86 N 0.57 1.63 0.00 1.67 0.00 -0.65 -2.22 119.26 120.26 1xsf h ALA 86 Ca -0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1xsf h ALA 86 Cb 0.39 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1xsf h ALA 86 CO 0.00 0.27 -0.52 1.05 0.00 0.00 0.00 179.25 180.06 1xsf h GLU 87 N 0.11 0.00 -0.58 0.00 -0.00 -0.85 0.37 114.58 113.63 1xsf h GLU 87 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.36 1xsf h GLU 87 Cb 0.32 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.04 1xsf h GLU 87 CO 0.02 0.52 0.28 0.28 -0.00 0.00 0.00 179.01 180.11 1xsf h VAL 88 N 0.00 1.21 -0.44 -1.06 2.07 -1.03 -0.51 116.25 116.49 1xsf h VAL 88 Ca -0.01 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 1xsf h VAL 88 Cb 0.92 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1xsf h VAL 88 CO 0.07 0.23 0.04 0.74 0.02 0.00 0.00 177.57 178.67 1xsf h THR 89 N 0.78 1.25 -0.21 2.57 2.02 -1.03 -2.56 112.91 115.73 1xsf h THR 89 Ca 0.20 -0.96 -0.08 0.00 0.77 0.00 0.00 66.41 66.34 1xsf h THR 89 Cb 0.11 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1xsf h THR 89 CO -0.03 0.33 -0.21 0.08 0.37 0.00 0.00 175.52 176.06 1xsf h ARG 90 N 0.60 0.38 -0.63 6.66 -0.00 -0.20 -2.40 114.38 118.79 1xsf h ARG 90 Ca 0.13 -0.12 0.07 0.00 -0.00 0.00 0.00 59.98 60.06 1xsf h ARG 90 Cb 0.43 -0.03 -0.04 0.00 -0.00 0.00 0.00 29.97 30.33 1xsf h ARG 90 CO 0.01 0.58 0.42 1.25 -0.00 0.00 0.00 179.97 182.23 1xsf h LEU 91 N 0.34 0.50 0.10 0.08 7.12 -0.66 0.51 115.31 123.31 1xsf h LEU 91 Ca 0.06 0.00 -0.37 0.00 0.13 0.00 0.00 57.88 57.70 1xsf h LEU 91 Cb 0.57 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.57 1xsf h LEU 91 CO 0.04 0.32 -2.11 0.54 -0.13 0.00 0.00 178.44 177.10 1xsf n ARG 92 N -4.48 0.74 -0.06 1.25 1.74 -1.06 -4.53 116.66 110.26 1xsf n ARG 92 Ca 0.09 0.24 -0.10 0.00 -0.77 0.00 0.00 57.85 57.31 1xsf n ARG 92 Cb 0.28 -1.67 -0.15 0.00 -1.02 0.00 0.00 32.46 29.90 1xsf n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xsf n GLN 93 N -3.43 0.66 -1.47 5.56 10.64 -0.93 -5.01 117.38 123.41 1xsf n GLN 93 Ca -0.35 0.16 0.00 0.00 -1.83 0.00 0.00 57.00 54.98 1xsf n GLN 93 Cb 1.04 -1.67 0.00 0.00 -0.86 0.00 0.00 30.24 28.75 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 1.68 0.90 2.50 2.61 0.00 0.18 -3.74 105.19 109.30 1xsf n GLY 94 Ca -0.25 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.74 0.00 -0.23 1.61 7.02 -1.25 -4.73 117.44 117.12 1xsf n TRP 95 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 1xsf n TRP 95 Cb 0.35 -2.05 0.03 0.00 -2.42 0.00 0.00 31.31 27.22 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 1.05 2.00 6.99 0.00 -1.91 -2.93 103.07 108.27 1xsf h GLY 96 Ca -0.18 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.50 1xsf h GLY 96 CO 0.26 0.58 -0.15 0.00 0.00 0.00 0.00 176.54 177.23 1xsf h ALA 97 N 1.07 0.91 -1.73 3.60 0.00 -1.90 -3.39 119.26 117.83 1xsf h ALA 97 Ca 0.20 -0.14 -0.60 0.00 0.00 0.00 0.00 54.91 54.37 1xsf h ALA 97 Cb 0.28 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.93 1xsf h ALA 97 CO -0.01 0.19 0.64 -1.58 0.00 0.00 0.00 179.25 178.49 1xsf s TRP 98 N -3.21 2.72 0.00 0.00 0.51 -1.11 -4.99 118.94 112.87 1xsf s TRP 98 Ca 0.05 -0.06 0.00 0.00 -2.12 0.00 0.00 56.10 53.98 1xsf s TRP 98 Cb 0.06 -4.19 0.00 0.00 -0.81 0.00 0.00 33.47 28.53 1xsf s TRP 98 CO 0.68 -1.47 0.00 -2.30 -0.51 0.00 0.00 176.95 173.35 1xsf n PRO 99 N 7.73 0.00 0.14 4.98 -0.02 -1.26 -3.96 135.00 142.61 1xsf n PRO 99 Ca 0.02 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.49 1xsf n PRO 99 Cb 0.47 -0.04 0.21 0.00 -0.02 0.00 0.00 33.50 34.12 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 1.41 0.00 -1.45 2.07 -1.96 -3.09 116.25 113.22 1xsf h VAL 100 Ca 0.00 -1.94 -0.13 0.00 0.82 0.00 0.00 66.70 65.45 1xsf h VAL 100 Cb 0.00 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1xsf h VAL 100 CO 0.00 0.55 -0.71 0.00 0.02 0.00 0.00 177.57 177.43 1xsf h ALA 102 N 1.43 0.27 -0.83 0.00 0.00 -1.66 0.41 119.26 118.88 1xsf h ALA 102 Ca -0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1xsf h ALA 102 Cb 1.46 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1xsf h ALA 102 CO 0.07 0.19 0.42 0.00 0.00 0.00 0.00 179.25 179.93 1xsf h ALA 103 N 0.63 1.18 -0.56 0.00 0.00 -1.57 0.18 119.26 119.13 1xsf h ALA 103 Ca 0.03 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1xsf h ALA 103 Cb 0.73 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1xsf h ALA 103 CO 0.05 0.64 -0.02 0.00 0.00 0.00 0.00 179.25 179.91 1xsf h ARG 104 N 1.17 0.98 0.00 0.00 3.08 -1.30 -3.20 114.38 115.11 1xsf h ARG 104 Ca 0.29 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1xsf h ARG 104 Cb 0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1xsf h ARG 104 CO -0.04 0.98 -0.54 0.00 -1.07 0.00 0.00 179.97 179.30 1xsf h ALA 105 N 1.07 0.76 0.00 0.04 0.00 -0.35 -3.48 119.26 117.29 1xsf h ALA 105 Ca 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xsf h ALA 105 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xsf h ALA 105 CO 0.03 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1xsf n GLY 106 N 1.19 0.70 3.74 0.00 0.00 0.40 -4.36 105.19 106.86 1xsf n GLY 106 Ca 0.01 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.23 2.54 0.00 4.61 0.00 0.17 -4.89 121.76 122.96 1xsf s ALA 107 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1xsf s ALA 107 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1xsf s ALA 107 CO 0.00 -1.37 0.17 0.54 0.00 0.00 0.00 175.76 175.10