#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsf n VAL 2 N 0.00 1.47 -2.91 2.41 0.31 -1.26 -4.93 118.33 113.41 1xsf n VAL 2 Ca 0.00 -0.72 -0.40 0.00 -0.01 0.00 0.00 64.34 63.21 1xsf n VAL 2 Cb 0.00 -0.99 -0.05 0.00 -0.91 0.00 0.00 33.84 31.90 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 -2.51 4.70 0.08 2.52 1.01 -1.26 -5.05 120.40 119.90 1xsf s VAL 3 Ca -0.21 1.74 -0.22 0.00 0.00 0.00 0.00 61.98 63.29 1xsf s VAL 3 Cb 0.07 -4.17 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 1xsf s VAL 3 CO 0.73 0.34 0.65 -0.69 0.00 0.00 0.00 175.10 176.13 1xsf s VAL 4 N 0.05 4.66 -0.26 2.92 1.01 -1.26 -5.06 120.40 122.47 1xsf s VAL 4 Ca 0.41 1.40 -0.00 0.00 0.00 0.00 0.00 61.98 63.78 1xsf s VAL 4 Cb -0.21 -3.99 0.08 0.00 0.00 0.00 0.00 36.38 32.25 1xsf s VAL 4 CO 0.24 0.50 0.03 0.42 0.00 0.00 0.00 175.10 176.30 1xsf s THR 5 N -0.86 1.10 0.76 3.92 -4.23 -1.26 -5.13 115.64 109.94 1xsf s THR 5 Ca 0.32 -1.18 -0.11 0.00 -1.18 0.00 0.00 61.69 59.54 1xsf s THR 5 Cb -0.20 -1.61 0.06 0.00 1.34 0.00 0.00 72.50 72.08 1xsf s THR 5 CO 0.21 -0.36 1.13 -2.84 -0.54 0.00 0.00 174.62 172.22 1xsf s PRO 6 N 1.56 2.26 0.07 3.99 0.02 -1.26 -5.10 135.00 136.53 1xsf s PRO 6 Ca 0.02 0.14 0.01 0.00 0.02 0.00 0.00 61.00 61.20 1xsf s PRO 6 Cb -0.18 -2.01 -0.00 0.00 0.02 0.00 0.00 34.50 32.33 1xsf s PRO 6 CO -0.13 -1.37 0.06 0.00 -0.33 0.00 0.00 177.00 175.23 1xsf n ALA 7 N -3.16 0.12 -0.90 -1.55 0.00 -1.26 -4.81 120.51 108.95 1xsf n ALA 7 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1xsf n ALA 7 Cb 0.60 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.36 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 -0.13 0.00 -1.61 0.00 -0.00 -1.26 -4.95 115.22 107.27 1xsf n HIS 8 Ca 0.01 0.00 -0.47 0.00 -0.00 0.00 0.00 57.72 57.26 1xsf n HIS 8 Cb 0.12 -0.97 -0.03 0.00 -0.00 0.00 0.00 29.99 29.11 1xsf n HIS 8 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1xsf n GLU 9 N -1.29 1.44 -3.42 1.57 0.28 -1.26 -4.92 120.64 113.05 1xsf n GLU 9 Ca 0.00 0.51 -0.27 0.00 -0.16 0.00 0.00 57.16 57.25 1xsf n GLU 9 Cb 0.17 -2.05 -0.08 0.00 1.43 0.00 0.00 31.44 30.91 1xsf n GLU 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xsf n ALA 10 N 1.50 3.74 -0.03 -1.84 0.00 -1.26 -4.84 120.51 117.77 1xsf n ALA 10 Ca 0.13 -4.50 -0.12 0.00 0.00 0.00 0.00 53.44 48.95 1xsf n ALA 10 Cb 0.27 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.77 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 3.08 1.22 0.00 0.00 2.07 -2.05 -3.42 116.25 117.15 1xsf h VAL 11 Ca 0.18 -0.68 -0.25 0.00 0.82 0.00 0.00 66.70 66.77 1xsf h VAL 11 Cb 0.71 1.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.87 1xsf h VAL 11 CO 0.76 0.20 1.07 0.55 0.02 0.00 0.00 177.57 180.17 1xsf n VAL 12 N -4.84 0.00 -3.93 2.57 3.14 -1.26 -4.88 118.33 109.13 1xsf n VAL 12 Ca -0.06 -0.13 -0.29 0.00 -2.96 0.00 0.00 64.34 60.90 1xsf n VAL 12 Cb 0.17 -0.15 -0.16 0.00 -1.06 0.00 0.00 33.84 32.64 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 4.57 1.63 0.28 1.45 0.52 -1.26 -5.13 118.95 121.01 1xsf s ARG 13 Ca 0.76 -0.66 0.04 0.00 -0.52 0.00 0.00 55.73 55.34 1xsf s ARG 13 Cb -0.61 -2.20 -0.03 0.00 0.52 0.00 0.00 34.95 32.64 1xsf s ARG 13 CO 0.30 -0.45 0.43 0.08 0.02 0.00 0.00 175.30 175.67 1xsf s VAL 14 N 1.54 5.13 0.00 3.52 1.01 -1.26 -5.04 120.40 125.29 1xsf s VAL 14 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1xsf s VAL 14 Cb -0.16 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1xsf s VAL 14 CO -0.08 -0.39 0.00 0.61 0.00 0.00 0.00 175.10 175.25 1xsf n GLY 15 N -1.54 1.37 0.10 4.51 0.00 -1.26 -5.06 105.19 103.31 1xsf n GLY 15 Ca -0.07 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 1.07 -6.49 2.61 2.02 -2.09 -3.49 112.91 106.55 1xsf h THR 16 Ca 0.00 -2.80 -0.38 0.00 0.77 0.00 0.00 66.41 64.00 1xsf h THR 16 Cb 0.00 2.64 0.01 0.00 -1.74 0.00 0.00 68.15 69.06 1xsf h THR 16 CO 0.00 0.75 -1.06 0.29 0.37 0.00 0.00 175.52 175.86 1xsf n LYS 17 N -3.32 -1.79 -1.53 6.66 4.01 -1.26 -4.95 118.16 115.99 1xsf n LYS 17 Ca -0.16 1.22 -0.30 0.00 -0.51 0.00 0.00 58.31 58.56 1xsf n LYS 17 Cb 1.03 -2.57 0.10 0.00 -0.51 0.00 0.00 35.03 33.09 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 -3.45 1.83 -0.30 1.97 0.02 -1.26 -4.96 135.00 128.85 1xsf s PRO 18 Ca 0.21 0.58 0.10 0.00 0.02 0.00 0.00 61.00 61.91 1xsf s PRO 18 Cb -0.02 -1.89 0.75 0.00 0.02 0.00 0.00 34.50 33.35 1xsf s PRO 18 CO 0.87 -1.78 1.77 0.41 -0.33 0.00 0.00 177.00 177.94 1xsf n GLY 19 N -2.05 3.45 0.18 0.52 0.00 -1.26 -4.20 105.19 101.82 1xsf n GLY 19 Ca 0.07 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 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 2.89 1.33 -3.89 2.61 2.02 -2.03 -3.44 112.91 112.39 1xsf h THR 20 Ca 0.21 -1.42 -0.41 0.00 0.77 0.00 0.00 66.41 65.57 1xsf h THR 20 Cb 2.24 1.75 -0.21 0.00 -1.74 0.00 0.00 68.15 70.20 1xsf h THR 20 CO 0.68 0.44 -0.78 -1.83 0.37 0.00 0.00 175.52 174.41 1xsf s GLU 21 N -4.28 0.85 -0.26 6.66 -1.05 -1.26 -5.10 118.70 114.25 1xsf s GLU 21 Ca -0.13 -1.00 -0.29 0.00 -0.15 0.00 0.00 54.97 53.40 1xsf s GLU 21 Cb 0.07 -0.83 -0.01 0.00 -0.44 0.00 0.00 34.13 32.92 1xsf s GLU 21 CO 0.80 0.18 1.45 0.08 0.95 0.00 0.00 175.26 178.72 1xsf s VAL 22 N -1.44 3.93 0.70 1.83 1.01 -1.26 -4.86 120.40 120.30 1xsf s VAL 22 Ca -0.00 1.04 -0.16 0.00 0.00 0.00 0.00 61.98 62.86 1xsf s VAL 22 Cb -0.09 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 1xsf s VAL 22 CO 0.02 -0.39 0.95 -2.65 0.00 0.00 0.00 175.10 173.04 1xsf n PRO 23 N 7.48 0.58 -1.67 2.72 -0.02 -1.26 -4.89 135.00 137.94 1xsf n PRO 23 Ca 0.17 0.25 -0.44 0.00 -2.02 0.00 0.00 63.50 61.46 1xsf n PRO 23 Cb 0.46 -2.20 -0.01 0.00 -0.02 0.00 0.00 33.50 31.72 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 -1.64 1.92 -4.00 0.52 -0.04 -1.26 -4.96 135.00 125.53 1xsf n PRO 24 Ca 0.13 0.67 -0.35 0.00 -0.04 0.00 0.00 63.50 63.92 1xsf n PRO 24 Cb 0.49 -2.23 -0.09 0.00 -0.04 0.00 0.00 33.50 31.63 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 -0.80 4.85 0.40 0.52 1.01 -1.26 -4.98 120.40 120.14 1xsf s VAL 25 Ca 0.60 -0.02 0.24 0.00 0.00 0.00 0.00 61.98 62.80 1xsf s VAL 25 Cb -0.62 -3.17 0.25 0.00 0.00 0.00 0.00 36.38 32.84 1xsf s VAL 25 CO 0.58 0.48 2.02 0.40 0.00 0.00 0.00 175.10 178.58 1xsf h ILE 26 N 4.74 0.72 0.00 2.22 1.08 -2.04 0.50 117.51 124.72 1xsf h ILE 26 Ca -0.39 -0.66 0.00 0.00 -0.39 0.00 0.00 64.86 63.42 1xsf h ILE 26 Cb 1.17 1.40 0.00 0.00 -3.07 0.00 0.00 36.82 36.32 1xsf h ILE 26 CO 0.69 0.16 -0.64 0.47 -0.69 0.00 0.00 178.15 178.14 1xsf n ASP 27 N -3.77 0.60 0.21 1.72 8.00 -1.26 -3.82 116.55 118.23 1xsf n ASP 27 Ca -0.02 -0.08 0.15 0.00 0.71 0.00 0.00 54.79 55.55 1xsf n ASP 27 Cb 0.27 0.30 0.73 0.00 -0.02 0.00 0.00 41.12 42.40 1xsf n ASP 27 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1xsf h GLY 28 N 4.72 0.00 1.24 0.44 0.00 -1.28 0.15 103.07 108.34 1xsf h GLY 28 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1xsf h GLY 28 CO 0.00 0.00 -1.23 1.76 0.00 0.00 0.00 176.54 177.07 1xsf h SER 29 N 0.00 0.88 -0.37 0.19 0.02 -1.66 -0.89 113.55 111.72 1xsf h SER 29 Ca 0.00 -0.80 -0.16 0.00 -0.84 0.00 0.00 61.79 59.99 1xsf h SER 29 Cb 0.13 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1xsf h SER 29 CO 0.00 1.61 -0.39 0.40 -1.14 0.00 0.00 176.83 177.31 1xsf h ILE 30 N 0.29 1.27 -0.36 3.27 1.08 -0.99 -0.78 117.51 121.30 1xsf h ILE 30 Ca -0.18 -1.56 -0.12 0.00 -0.39 0.00 0.00 64.86 62.60 1xsf h ILE 30 Cb 1.90 1.38 -0.01 0.00 -3.07 0.00 0.00 36.82 37.02 1xsf h ILE 30 CO 0.24 0.52 -0.28 -0.50 -0.69 0.00 0.00 178.15 177.44 1xsf h TRP 31 N 0.75 0.86 0.01 1.37 -0.00 -0.88 0.98 115.95 119.05 1xsf h TRP 31 Ca 0.06 -0.21 -0.20 0.00 -0.00 0.00 0.00 58.89 58.54 1xsf h TRP 31 Cb 0.98 -0.20 -0.01 0.00 -0.00 0.00 0.00 29.16 29.93 1xsf h TRP 31 CO 0.06 0.94 -0.88 0.22 -0.00 0.00 0.00 178.44 178.78 1xsf h ASP 32 N 0.64 0.21 -0.07 -3.49 3.58 -1.05 -0.24 116.42 116.00 1xsf h ASP 32 Ca 0.08 -0.18 -0.16 0.00 0.42 0.00 0.00 57.03 57.19 1xsf h ASP 32 Cb 0.80 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.78 1xsf h ASP 32 CO 0.07 0.99 -0.53 0.00 -2.88 0.00 0.00 179.24 176.89 1xsf h ALA 33 N 0.99 0.65 -0.46 -0.78 0.00 -0.82 -0.42 119.26 118.43 1xsf h ALA 33 Ca -0.04 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.27 1xsf h ALA 33 Cb 1.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1xsf h ALA 33 CO 0.13 0.68 -0.08 0.82 0.00 0.00 0.00 179.25 180.80 1xsf h ILE 34 N 0.50 1.27 -0.85 0.00 2.04 -0.76 -2.17 117.51 117.54 1xsf h ILE 34 Ca 0.01 -1.19 0.06 0.00 1.00 0.00 0.00 64.86 64.75 1xsf h ILE 34 Cb 1.09 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 38.22 1xsf h ILE 34 CO 0.11 0.41 0.56 0.00 0.00 0.00 0.00 178.15 179.22 1xsf h ALA 35 N 0.88 1.57 0.00 1.87 0.00 -0.91 0.15 119.26 122.83 1xsf h ALA 35 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xsf h ALA 35 Cb 0.62 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1xsf h ALA 35 CO 0.04 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.00 1xsf n GLY 36 N -1.41 -1.11 0.08 0.00 0.00 -0.18 0.16 105.19 102.73 1xsf n GLY 36 Ca 0.13 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.99 0.11 0.00 0.00 5.08 -1.36 -3.35 114.58 114.07 1xsf h GLU 38 Ca 0.00 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1xsf h GLU 38 Cb 0.86 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1xsf h GLU 38 CO 0.00 0.80 -1.08 0.00 -1.00 0.00 0.00 179.01 177.73 1xsf n ALA 39 N -2.70 3.59 -1.08 3.43 0.00 -0.87 -4.93 120.51 117.95 1xsf n ALA 39 Ca -0.21 -0.45 -0.02 0.00 0.00 0.00 0.00 53.44 52.76 1xsf n ALA 39 Cb 1.05 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 19.56 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 1.39 0.54 2.21 0.00 0.00 -0.82 -3.61 105.19 104.90 1xsf n GLY 40 Ca 0.02 -0.98 -0.07 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.70 0.02 2.49 -0.02 0.00 0.12 -4.84 105.19 100.27 1xsf n GLY 41 Ca -0.02 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.33 2.39 0.17 1.61 2.47 -1.24 -4.94 114.94 112.07 1xsf s ASN 42 Ca 0.13 -2.27 0.21 0.00 0.42 0.00 0.00 52.86 51.35 1xsf s ASN 42 Cb -0.02 -0.25 0.86 0.00 -1.45 0.00 0.00 41.25 40.39 1xsf s ASN 42 CO 0.33 -0.27 1.63 0.79 -3.72 0.00 0.00 177.10 175.86 1xsf n TRP 43 N 3.83 0.53 -0.57 0.43 7.02 -1.26 -1.59 117.44 125.83 1xsf n TRP 43 Ca 0.15 0.21 0.09 0.00 -1.02 0.00 0.00 57.50 56.93 1xsf n TRP 43 Cb 0.40 -0.83 0.32 0.00 -2.42 0.00 0.00 31.31 28.78 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 -1.68 2.87 -1.94 6.99 0.00 -1.26 -3.63 120.51 121.86 1xsf n ALA 44 Ca 0.03 -1.58 -0.37 0.00 0.00 0.00 0.00 53.44 51.53 1xsf n ALA 44 Cb 0.22 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.73 4.38 -0.40 0.00 2.07 -0.86 -4.86 121.20 119.81 1xsf s ILE 45 Ca 0.46 1.57 0.07 0.00 -1.41 0.00 0.00 60.65 61.34 1xsf s ILE 45 Cb 0.29 -3.94 0.18 0.00 0.13 0.00 0.00 42.46 39.12 1xsf s ILE 45 CO 0.23 0.19 0.59 0.21 -1.91 0.00 0.00 174.94 174.25 1xsf s ASN 46 N -1.62 -1.14 0.36 4.50 3.84 -1.26 0.49 114.94 120.10 1xsf s ASN 46 Ca 0.46 -0.85 0.19 0.00 0.21 0.00 0.00 52.86 52.87 1xsf s ASN 46 Cb -0.18 1.77 0.41 0.00 -0.55 0.00 0.00 41.25 42.70 1xsf s ASN 46 CO 0.23 -0.19 1.61 0.71 -2.79 0.00 0.00 177.10 176.66 1xsf h THR 47 N 5.05 0.65 0.00 -5.21 1.35 -1.96 -3.47 112.91 109.32 1xsf h THR 47 Ca 0.05 -1.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 1xsf h THR 47 Cb 1.16 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.71 1xsf h THR 47 CO 0.12 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 1xsf n GLY 48 N 0.81 1.36 0.32 5.82 0.00 -1.26 -4.98 105.19 107.26 1xsf n GLY 48 Ca 0.02 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 0.06 0.96 0.00 1.61 0.23 -1.26 -4.86 115.26 112.00 1xsf n ASN 49 Ca 0.00 -1.66 0.00 0.00 -0.53 0.00 0.00 54.58 52.39 1xsf n ASN 49 Cb 0.01 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 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 0.95 0.74 3.49 4.83 0.00 -1.26 -5.03 105.19 108.91 1xsf n GLY 50 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.21 2.42 0.35 1.61 2.02 -1.26 -1.03 117.35 119.25 1xsf s TYR 51 Ca 0.00 -0.30 0.09 0.00 -0.37 0.00 0.00 57.07 56.49 1xsf s TYR 51 Cb 0.00 -1.15 -0.07 0.00 -0.40 0.00 0.00 41.96 40.35 1xsf s TYR 51 CO 0.00 0.57 -0.08 0.71 -1.57 0.00 0.00 175.55 175.17 1xsf s TYR 52 N -1.94 2.39 0.86 2.71 2.02 -0.90 -4.61 117.35 117.87 1xsf s TYR 52 Ca 0.25 -0.53 -0.12 0.00 -0.37 0.00 0.00 57.07 56.30 1xsf s TYR 52 Cb -0.07 -1.40 0.09 0.00 -0.40 0.00 0.00 41.96 40.17 1xsf s TYR 52 CO 0.13 0.55 0.99 0.41 -1.57 0.00 0.00 175.55 176.07 1xsf n GLY 53 N -0.80 -0.61 0.17 0.71 0.00 0.18 -2.33 105.19 102.51 1xsf n GLY 53 Ca -0.05 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.71 0.93 0.16 -0.02 0.00 -0.62 -4.06 105.19 102.29 1xsf n GLY 54 Ca 0.12 -0.92 0.15 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.51 1.61 0.31 -1.26 -3.80 118.33 111.68 1xsf n VAL 55 Ca 0.00 -0.09 -0.18 0.00 -0.01 0.00 0.00 64.34 64.06 1xsf n VAL 55 Cb 0.00 -0.09 0.07 0.00 -0.91 0.00 0.00 33.84 32.91 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 -0.71 -5.85 -4.40 5.55 -0.06 -0.99 -4.80 117.38 106.13 1xsf n GLN 56 Ca 0.19 0.77 -0.24 0.00 -2.00 0.00 0.00 57.00 55.72 1xsf n GLN 56 Cb 0.24 -5.63 -0.09 0.00 -4.06 0.00 0.00 30.24 20.70 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 -3.46 2.47 0.73 3.69 -0.71 -1.24 -4.71 117.98 114.74 1xsf s PHE 57 Ca 0.02 -0.37 -0.11 0.00 -1.04 0.00 0.00 56.93 55.43 1xsf s PHE 57 Cb -0.00 -1.26 0.03 0.00 -1.21 0.00 0.00 43.02 40.58 1xsf s PHE 57 CO 0.76 0.60 1.08 0.16 -1.34 0.00 0.00 175.22 176.48 1xsf s ASP 58 N -3.63 5.15 0.24 1.98 -4.77 -1.26 -2.12 116.67 112.25 1xsf s ASP 58 Ca 0.32 1.33 -0.07 0.00 -3.30 0.00 0.00 52.55 50.83 1xsf s ASP 58 Cb -0.02 -2.15 0.22 0.00 -1.09 0.00 0.00 42.92 39.88 1xsf s ASP 58 CO 0.18 -1.56 1.89 -0.61 0.70 0.00 0.00 175.17 175.78 1xsf h GLN 59 N -0.80 1.25 -0.32 2.11 5.75 -1.45 0.06 115.11 121.70 1xsf h GLN 59 Ca -0.45 -0.10 -0.04 0.00 -0.15 0.00 0.00 58.65 57.91 1xsf h GLN 59 Cb 1.24 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 29.51 1xsf h GLN 59 CO 0.60 0.86 0.04 0.78 -2.65 0.00 0.00 178.83 178.46 1xsf h GLY 60 N 1.27 0.58 0.92 2.39 0.00 -1.93 0.41 103.07 106.72 1xsf h GLY 60 Ca 0.34 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 1xsf h GLY 60 CO -0.07 0.37 -0.03 -0.84 0.00 0.00 0.00 176.54 175.97 1xsf h THR 61 N 0.36 1.27 -0.36 4.70 2.02 -1.91 0.11 112.91 119.09 1xsf h THR 61 Ca 0.10 -1.04 0.03 0.00 0.77 0.00 0.00 66.41 66.27 1xsf h THR 61 Cb 0.37 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 1xsf h THR 61 CO 0.01 0.34 0.15 -0.25 0.37 0.00 0.00 175.52 176.15 1xsf h TRP 62 N 0.45 0.28 -0.18 3.16 2.91 -0.79 -1.84 115.95 119.94 1xsf h TRP 62 Ca 0.10 0.02 -0.09 0.00 1.13 0.00 0.00 58.89 60.04 1xsf h TRP 62 Cb 0.50 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.06 1xsf h TRP 62 CO 0.04 0.14 -0.28 1.49 -1.03 0.00 0.00 178.44 178.80 1xsf h GLU 63 N 0.33 0.35 -0.42 2.65 4.81 -0.05 0.27 114.58 122.51 1xsf h GLU 63 Ca 0.16 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 1xsf h GLU 63 Cb 0.10 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1xsf h GLU 63 CO -0.13 0.61 -0.03 0.00 -0.73 0.00 0.00 179.01 178.73 1xsf h ALA 64 N 1.40 0.57 0.00 2.92 0.00 -0.12 -1.39 119.26 122.64 1xsf h ALA 64 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1xsf h ALA 64 Cb 0.66 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1xsf h ALA 64 CO 0.05 0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.77 1xsf n ASN 65 N -4.39 0.63 -0.33 0.00 5.03 -0.76 -4.90 115.26 110.54 1xsf n ASN 65 Ca -0.01 0.60 0.00 0.00 0.87 0.00 0.00 54.58 56.05 1xsf n ASN 65 Cb 0.31 -0.75 0.00 0.00 -1.02 0.00 0.00 39.78 38.32 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 0.70 0.65 0.19 7.41 0.00 -0.52 -4.97 105.19 108.65 1xsf n GLY 66 Ca 0.04 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 1.80 -0.02 0.00 -0.68 -3.32 103.07 100.86 1xsf h GLY 67 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1xsf h GLY 67 CO 0.00 0.00 0.07 1.41 0.00 0.00 0.00 176.54 178.02 1xsf h LEU 68 N 0.00 0.00 -1.44 3.11 4.07 -1.78 0.43 115.31 119.69 1xsf h LEU 68 Ca -0.00 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 1xsf h LEU 68 Cb 1.11 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.84 1xsf h LEU 68 CO 0.02 0.00 -0.28 0.08 -1.08 0.00 0.00 178.44 177.18 1xsf h ARG 69 N 0.00 0.00 0.09 1.13 0.11 -1.98 -1.28 114.38 112.45 1xsf h ARG 69 Ca 0.05 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.87 1xsf h ARG 69 Cb 0.19 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.28 1xsf h ARG 69 CO -0.00 0.28 -1.14 1.88 0.10 0.00 0.00 179.97 181.09 1xsf h TYR 70 N 0.00 0.64 0.00 4.08 -1.99 -0.53 -3.48 116.97 115.69 1xsf h TYR 70 Ca -0.00 -0.41 0.00 0.00 2.00 0.00 0.00 58.73 60.32 1xsf h TYR 70 Cb 0.52 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.20 1xsf h TYR 70 CO 0.00 1.27 0.00 0.00 -0.00 0.00 0.00 178.16 179.43 1xsf n ALA 71 N -2.57 0.00 0.00 3.88 0.00 0.50 -4.61 120.51 117.71 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 0.95 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.40 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 -0.07 0.00 -3.68 0.00 -0.02 -1.10 -3.45 135.00 126.68 1xsf n PRO 72 Ca 0.00 0.19 -0.14 0.00 -2.02 0.00 0.00 63.50 61.53 1xsf n PRO 72 Cb 0.00 -1.53 -0.08 0.00 -0.02 0.00 0.00 33.50 31.86 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 -2.29 0.70 0.64 -0.52 1.70 -1.26 -4.75 118.95 113.17 1xsf s ARG 73 Ca 0.00 0.46 0.36 0.00 -0.47 0.00 0.00 55.73 56.08 1xsf s ARG 73 Cb 0.00 0.33 2.03 0.00 -0.57 0.00 0.00 34.95 36.74 1xsf s ARG 73 CO 0.00 -0.14 2.21 0.00 -1.08 0.00 0.00 175.30 176.29 1xsf h ALA 74 N 4.61 1.32 -0.00 7.88 0.00 -1.84 0.86 119.26 132.09 1xsf h ALA 74 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xsf h ALA 74 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xsf h ALA 74 CO 0.26 -0.13 -0.37 -0.40 0.00 0.00 0.00 179.25 178.60 1xsf n ASP 75 N -3.31 0.39 -0.10 0.00 5.75 -1.24 -3.38 116.55 114.66 1xsf n ASP 75 Ca -0.02 -0.08 -0.10 0.00 -0.01 0.00 0.00 54.79 54.58 1xsf n ASP 75 Cb 0.19 0.07 -0.16 0.00 -1.03 0.00 0.00 41.12 40.19 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 -1.48 0.16 -4.87 -2.12 7.94 0.15 -4.51 117.00 112.27 1xsf n LEU 76 Ca 0.06 -0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.65 1xsf n LEU 76 Cb 0.34 0.42 0.02 0.00 0.53 0.00 0.00 43.42 44.73 1xsf n LEU 76 CO 0.33 0.52 0.72 0.00 -1.11 0.00 0.00 177.39 177.85 1xsf s ALA 77 N -2.49 3.03 0.53 1.96 0.00 -0.35 -4.93 121.76 119.51 1xsf s ALA 77 Ca -0.11 -0.12 0.09 0.00 0.00 0.00 0.00 51.96 51.82 1xsf s ALA 77 Cb 0.06 -3.08 0.09 0.00 0.00 0.00 0.00 23.12 20.19 1xsf s ALA 77 CO 0.82 -0.80 0.72 0.25 0.00 0.00 0.00 175.76 176.75 1xsf n THR 78 N -2.82 0.00 -0.04 0.00 -2.24 -1.26 -4.80 114.28 103.12 1xsf n THR 78 Ca 0.06 -1.79 -0.09 0.00 -2.27 0.00 0.00 64.05 59.96 1xsf n THR 78 Cb 0.54 -0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 68.22 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 -0.28 -0.98 -0.78 3.08 -1.97 0.39 114.38 113.85 1xsf h ARG 79 Ca -0.25 0.02 0.04 0.00 0.07 0.00 0.00 59.98 59.86 1xsf h ARG 79 Cb 1.15 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 31.21 1xsf h ARG 79 CO 0.36 -0.18 0.64 1.05 -1.07 0.00 0.00 179.97 180.77 1xsf h GLU 80 N -0.29 1.18 0.08 0.04 9.09 -1.97 0.45 114.58 123.15 1xsf h GLU 80 Ca 0.13 -0.07 -0.00 0.00 0.05 0.00 0.00 59.36 59.46 1xsf h GLU 80 Cb 0.49 -0.27 0.00 0.00 -1.65 0.00 0.00 28.75 27.32 1xsf h GLU 80 CO -0.39 0.78 -0.04 0.93 0.05 0.00 0.00 179.01 180.34 1xsf h GLU 81 N 1.21 -0.10 -0.25 1.06 5.08 -1.71 -2.35 114.58 117.52 1xsf h GLU 81 Ca 0.40 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.69 1xsf h GLU 81 Cb 0.05 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1xsf h GLU 81 CO -0.13 0.36 -0.15 0.37 -1.00 0.00 0.00 179.01 178.45 1xsf h GLN 82 N -0.61 0.43 -0.45 2.33 4.15 0.06 -1.24 115.11 119.79 1xsf h GLN 82 Ca -0.01 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.27 1xsf h GLN 82 Cb 0.50 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 1xsf h GLN 82 CO 0.02 0.58 0.25 0.82 -1.93 0.00 0.00 178.83 178.56 1xsf h ILE 83 N 0.40 1.16 -0.64 2.39 2.04 -0.15 -0.71 117.51 121.99 1xsf h ILE 83 Ca 0.07 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 1xsf h ILE 83 Cb 0.50 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1xsf h ILE 83 CO 0.03 0.17 0.16 0.00 0.00 0.00 0.00 178.15 178.51 1xsf h ALA 84 N 1.10 0.85 -0.04 1.87 0.00 -0.70 0.42 119.26 122.76 1xsf h ALA 84 Ca 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1xsf h ALA 84 Cb 0.05 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1xsf h ALA 84 CO -0.03 0.56 -0.03 0.28 0.00 0.00 0.00 179.25 180.03 1xsf h VAL 85 N 0.95 1.35 -0.12 0.00 2.07 -1.21 -2.68 116.25 116.61 1xsf h VAL 85 Ca 0.20 -1.11 -0.07 0.00 0.82 0.00 0.00 66.70 66.55 1xsf h VAL 85 Cb 0.36 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1xsf h VAL 85 CO 0.00 0.30 -0.22 0.00 0.02 0.00 0.00 177.57 177.67 1xsf h ALA 86 N 0.57 1.41 0.00 1.67 0.00 -1.01 -2.41 119.26 119.50 1xsf h ALA 86 Ca 0.01 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1xsf h ALA 86 Cb 0.50 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1xsf h ALA 86 CO 0.01 0.41 -0.45 1.05 0.00 0.00 0.00 179.25 180.27 1xsf h GLU 87 N 0.18 0.00 -0.13 0.00 -0.00 -0.10 0.23 114.58 114.77 1xsf h GLU 87 Ca 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.39 1xsf h GLU 87 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.25 1xsf h GLU 87 CO 0.03 0.45 0.07 0.28 -0.00 0.00 0.00 179.01 179.85 1xsf h VAL 88 N 0.00 1.07 -0.41 -1.06 2.07 -1.09 -2.65 116.25 114.19 1xsf h VAL 88 Ca -0.00 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1xsf h VAL 88 Cb 0.85 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1xsf h VAL 88 CO 0.06 0.07 0.08 0.74 0.02 0.00 0.00 177.57 178.54 1xsf h THR 89 N 0.13 1.24 -0.21 2.57 2.02 -1.11 -2.55 112.91 115.00 1xsf h THR 89 Ca 0.05 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 1xsf h THR 89 Cb 0.04 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1xsf h THR 89 CO -0.01 0.29 0.07 0.08 0.37 0.00 0.00 175.52 176.32 1xsf h ARG 90 N 0.52 0.29 0.00 6.66 -0.00 -0.60 -1.46 114.38 119.79 1xsf h ARG 90 Ca 0.13 -0.03 -0.07 0.00 -0.00 0.00 0.00 59.98 60.00 1xsf h ARG 90 Cb 0.34 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 30.24 1xsf h ARG 90 CO 0.00 0.25 -0.35 1.25 -0.00 0.00 0.00 179.97 181.12 1xsf h LEU 91 N 0.29 0.00 0.02 0.08 5.85 -1.08 0.15 115.31 120.63 1xsf h LEU 91 Ca 0.07 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.52 1xsf h LEU 91 Cb 0.08 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1xsf h LEU 91 CO -0.01 0.35 -1.47 0.54 -0.34 0.00 0.00 178.44 177.52 1xsf n ARG 92 N -3.75 0.60 -0.07 1.25 1.74 -0.62 -4.63 116.66 111.18 1xsf n ARG 92 Ca -0.01 0.51 -0.05 0.00 -0.77 0.00 0.00 57.85 57.52 1xsf n ARG 92 Cb 0.44 -1.73 -0.16 0.00 -1.02 0.00 0.00 32.46 30.00 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 -4.26 0.68 -1.32 5.56 10.64 -0.75 -5.00 117.38 122.92 1xsf n GLN 93 Ca -0.34 -0.02 0.00 0.00 -1.83 0.00 0.00 57.00 54.81 1xsf n GLN 93 Cb 0.76 -1.55 0.00 0.00 -0.86 0.00 0.00 30.24 28.59 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 1.63 0.92 2.40 2.61 0.00 0.54 -3.94 105.19 109.34 1xsf n GLY 94 Ca -0.25 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.26 0.00 0.20 1.61 7.02 -1.23 -4.87 117.44 118.91 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 0.27 -2.40 0.47 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 0.06 2.00 6.99 0.00 -1.90 -1.02 103.07 109.19 1xsf h GLY 96 Ca -0.27 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1xsf h GLY 96 CO 0.40 0.03 -0.05 0.00 0.00 0.00 0.00 176.54 176.92 1xsf h ALA 97 N 1.77 0.98 -2.82 3.60 0.00 -1.90 -3.41 119.26 117.47 1xsf h ALA 97 Ca 0.01 -0.05 -0.70 0.00 0.00 0.00 0.00 54.91 54.17 1xsf h ALA 97 Cb 0.36 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 17.90 1xsf h ALA 97 CO 0.03 0.06 -0.52 -1.58 0.00 0.00 0.00 179.25 177.24 1xsf s TRP 98 N -3.43 3.23 0.00 0.00 0.51 -0.39 -5.07 118.94 113.79 1xsf s TRP 98 Ca 0.04 -0.85 0.00 0.00 -2.12 0.00 0.00 56.10 53.17 1xsf s TRP 98 Cb 0.07 -2.42 0.00 0.00 -0.81 0.00 0.00 33.47 30.31 1xsf s TRP 98 CO 0.62 -0.59 0.00 -2.30 -0.51 0.00 0.00 176.95 174.17 1xsf n PRO 99 N 5.00 3.05 0.02 4.98 -0.02 -1.26 -4.12 135.00 142.65 1xsf n PRO 99 Ca -0.12 0.00 0.20 0.00 -2.02 0.00 0.00 63.50 61.56 1xsf n PRO 99 Cb 0.47 0.00 0.70 0.00 -0.02 0.00 0.00 33.50 34.65 1xsf n PRO 99 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1xsf h VAL 100 N 0.00 0.70 -0.72 -1.45 -1.51 -1.98 -0.54 116.25 110.75 1xsf h VAL 100 Ca 0.00 0.00 0.09 0.00 -1.23 0.00 0.00 66.70 65.56 1xsf h VAL 100 Cb 0.00 0.74 -0.05 0.00 -2.13 0.00 0.00 31.29 29.85 1xsf h VAL 100 CO 0.00 0.00 0.48 0.00 -1.23 0.00 0.00 177.57 176.82 1xsf h ALA 102 N 1.63 0.43 -0.45 0.00 0.00 -1.24 -0.79 119.26 118.85 1xsf h ALA 102 Ca 0.33 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1xsf h ALA 102 Cb 0.47 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1xsf h ALA 102 CO -0.12 0.44 -0.12 0.00 0.00 0.00 0.00 179.25 179.45 1xsf h ALA 103 N 0.72 0.94 0.00 0.00 0.00 -1.31 -0.76 119.26 118.84 1xsf h ALA 103 Ca 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1xsf h ALA 103 Cb 0.84 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1xsf h ALA 103 CO 0.07 0.62 -0.03 0.00 0.00 0.00 0.00 179.25 179.90 1xsf h ARG 104 N 0.74 0.00 0.00 0.00 -0.00 -0.63 -3.06 114.38 111.43 1xsf h ARG 104 Ca 0.12 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.57 1xsf h ARG 104 Cb 0.62 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.59 1xsf h ARG 104 CO 0.04 0.03 -1.20 0.00 0.00 0.00 0.00 179.97 178.85 1xsf n ALA 105 N -2.11 2.46 0.00 0.04 0.00 -0.31 -4.99 120.51 115.61 1xsf n ALA 105 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1xsf n ALA 105 Cb 0.37 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 1.23 0.69 3.76 0.00 0.00 -0.42 -4.19 105.19 106.26 1xsf n GLY 106 Ca -0.02 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.17 2.56 0.00 4.61 0.00 -0.45 -4.89 121.76 122.42 1xsf s ALA 107 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1xsf s ALA 107 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1xsf s ALA 107 CO 0.00 -1.07 0.00 0.54 0.00 0.00 0.00 175.76 175.23