#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsf h VAL 2 N 0.00 0.89 -3.72 3.53 2.07 -2.13 -3.46 116.25 113.44 1xsf h VAL 2 Ca 0.00 -2.43 -0.51 0.00 0.82 0.00 0.00 66.70 64.58 1xsf h VAL 2 Cb 0.00 2.67 0.03 0.00 -1.52 0.00 0.00 31.29 32.47 1xsf h VAL 2 CO 0.00 0.80 0.54 0.54 0.02 0.00 0.00 177.57 179.47 1xsf s VAL 3 N -2.53 3.34 0.17 2.57 0.11 -1.26 -5.02 120.40 117.78 1xsf s VAL 3 Ca -0.19 1.27 -0.22 0.00 -2.93 0.00 0.00 61.98 59.91 1xsf s VAL 3 Cb 0.05 -3.81 -0.08 0.00 -1.53 0.00 0.00 36.38 31.01 1xsf s VAL 3 CO 0.80 0.27 0.73 -0.69 -3.33 0.00 0.00 175.10 172.88 1xsf s VAL 4 N -0.82 4.49 -0.47 2.04 1.01 -1.26 -5.04 120.40 120.34 1xsf s VAL 4 Ca 0.48 1.48 -0.12 0.00 0.00 0.00 0.00 61.98 63.83 1xsf s VAL 4 Cb -0.34 -4.00 0.11 0.00 0.00 0.00 0.00 36.38 32.14 1xsf s VAL 4 CO 0.42 0.41 0.37 0.42 0.00 0.00 0.00 175.10 176.72 1xsf s THR 5 N -1.28 4.60 0.40 3.92 -4.23 -1.26 -5.06 115.64 112.72 1xsf s THR 5 Ca 0.37 -1.52 0.08 0.00 -1.18 0.00 0.00 61.69 59.44 1xsf s THR 5 Cb -0.20 -3.91 -0.01 0.00 1.34 0.00 0.00 72.50 69.72 1xsf s THR 5 CO 0.23 -0.70 0.46 -2.16 -0.54 0.00 0.00 174.62 171.91 1xsf s PRO 6 N 1.47 2.73 -0.64 3.99 0.04 -1.26 -5.07 135.00 136.26 1xsf s PRO 6 Ca 0.04 -1.34 0.06 0.00 0.04 0.00 0.00 61.00 59.80 1xsf s PRO 6 Cb -0.26 -2.59 0.23 0.00 0.04 0.00 0.00 34.50 31.91 1xsf s PRO 6 CO 0.02 -0.18 0.66 0.00 0.04 0.00 0.00 177.00 177.54 1xsf n ALA 7 N -1.67 3.79 0.59 8.56 0.00 -1.26 -4.75 120.51 125.77 1xsf n ALA 7 Ca 0.05 -4.61 0.12 0.00 0.00 0.00 0.00 53.44 49.00 1xsf n ALA 7 Cb 0.60 -0.93 0.23 0.00 0.00 0.00 0.00 19.45 19.35 1xsf n ALA 7 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xsf n HIS 8 N 1.22 0.65 -2.33 0.00 8.25 -1.26 -4.86 115.22 116.89 1xsf n HIS 8 Ca 0.27 0.19 -0.43 0.00 -0.26 0.00 0.00 57.72 57.49 1xsf n HIS 8 Cb 0.40 -0.72 -0.02 0.00 1.12 0.00 0.00 29.99 30.76 1xsf n HIS 8 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1xsf s GLU 9 N -3.15 4.24 -0.44 -0.41 2.02 -1.26 -4.90 118.70 114.80 1xsf s GLU 9 Ca 0.07 1.79 0.07 0.00 0.02 0.00 0.00 54.97 56.93 1xsf s GLU 9 Cb 0.13 -3.76 0.28 0.00 0.10 0.00 0.00 34.13 30.89 1xsf s GLU 9 CO 0.69 -0.69 0.87 0.00 0.02 0.00 0.00 175.26 176.15 1xsf n ALA 10 N 6.40 0.04 -0.11 5.21 0.00 -1.26 -5.01 120.51 125.78 1xsf n ALA 10 Ca 0.14 -2.11 -0.05 0.00 0.00 0.00 0.00 53.44 51.42 1xsf n ALA 10 Cb 0.44 -1.12 0.01 0.00 0.00 0.00 0.00 19.45 18.79 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 2.49 0.65 -3.89 0.00 3.04 -2.03 -3.47 116.25 113.04 1xsf h VAL 11 Ca -0.05 -0.01 -0.09 0.00 -1.01 0.00 0.00 66.70 65.54 1xsf h VAL 11 Cb 1.01 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 1xsf h VAL 11 CO 0.32 0.01 -0.54 0.55 -1.01 0.00 0.00 177.57 176.90 1xsf n VAL 12 N -5.26 -1.39 -2.85 1.51 3.14 -1.26 -4.84 118.33 107.38 1xsf n VAL 12 Ca 0.02 0.14 -0.43 0.00 -2.96 0.00 0.00 64.34 61.11 1xsf n VAL 12 Cb 0.21 -1.57 -0.04 0.00 -1.06 0.00 0.00 33.84 31.38 1xsf n VAL 12 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xsf s ARG 13 N -0.82 3.66 0.30 1.45 1.70 -1.26 -5.01 118.95 118.97 1xsf s ARG 13 Ca 0.09 0.31 0.10 0.00 -0.47 0.00 0.00 55.73 55.76 1xsf s ARG 13 Cb -0.01 -3.87 -0.05 0.00 -0.57 0.00 0.00 34.95 30.46 1xsf s ARG 13 CO 0.20 -1.06 -0.05 0.08 -1.08 0.00 0.00 175.30 173.39 1xsf s VAL 14 N 3.52 2.88 0.00 4.99 1.01 -1.26 -4.90 120.40 126.63 1xsf s VAL 14 Ca 0.36 -2.06 0.00 0.00 0.00 0.00 0.00 61.98 60.28 1xsf s VAL 14 Cb -0.11 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.58 1xsf s VAL 14 CO 0.22 -0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.62 1xsf n GLY 15 N -0.85 0.70 0.09 4.51 0.00 -1.26 -5.03 105.19 103.35 1xsf n GLY 15 Ca -0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 1xsf n GLY 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xsf n THR 16 N 0.00 1.30 -2.38 2.61 -1.04 -1.26 -4.86 114.28 108.64 1xsf n THR 16 Ca 0.00 -0.73 -0.43 0.00 -2.04 0.00 0.00 64.05 60.85 1xsf n THR 16 Cb 0.00 -0.79 -0.02 0.00 -1.82 0.00 0.00 70.33 67.70 1xsf n THR 16 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1xsf s LYS 17 N -2.81 3.98 0.76 -2.82 3.01 -1.26 -5.02 119.74 115.59 1xsf s LYS 17 Ca -0.04 1.42 -0.10 0.00 -1.01 0.00 0.00 55.97 56.23 1xsf s LYS 17 Cb 0.08 -3.87 0.07 0.00 -1.01 0.00 0.00 37.83 33.10 1xsf s LYS 17 CO 0.82 -1.04 1.12 -2.14 0.51 0.00 0.00 175.35 174.62 1xsf s PRO 18 N 4.06 2.12 -0.10 -1.68 0.02 -1.26 -5.03 135.00 133.14 1xsf s PRO 18 Ca 0.58 0.02 0.05 0.00 0.02 0.00 0.00 61.00 61.68 1xsf s PRO 18 Cb -0.19 -2.03 -0.10 0.00 0.02 0.00 0.00 34.50 32.20 1xsf s PRO 18 CO 0.22 -1.43 -0.02 0.41 -0.33 0.00 0.00 177.00 175.86 1xsf n GLY 19 N -3.16 -0.34 0.25 0.52 0.00 -1.26 -4.55 105.19 96.66 1xsf n GLY 19 Ca 0.08 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 45.99 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 1.19 -4.01 2.61 2.02 -2.04 -3.43 112.91 109.25 1xsf h THR 20 Ca -0.24 -0.82 -0.43 0.00 0.77 0.00 0.00 66.41 65.69 1xsf h THR 20 Cb 1.49 1.14 -0.29 0.00 -1.74 0.00 0.00 68.15 68.75 1xsf h THR 20 CO -0.01 0.26 -0.79 -1.61 0.37 0.00 0.00 175.52 173.75 1xsf s GLU 21 N -4.78 0.90 -0.16 6.66 2.02 -1.26 -5.12 118.70 116.96 1xsf s GLU 21 Ca -0.06 -0.36 -0.24 0.00 0.02 0.00 0.00 54.97 54.32 1xsf s GLU 21 Cb 0.15 -0.86 -0.02 0.00 0.10 0.00 0.00 34.13 33.50 1xsf s GLU 21 CO 0.75 0.20 0.78 0.08 0.02 0.00 0.00 175.26 177.09 1xsf s VAL 22 N -0.13 4.92 0.10 2.63 1.01 -1.26 -4.42 120.40 123.25 1xsf s VAL 22 Ca 0.02 1.54 -0.35 0.00 0.00 0.00 0.00 61.98 63.19 1xsf s VAL 22 Cb -0.05 -4.09 -0.14 0.00 0.00 0.00 0.00 36.38 32.09 1xsf s VAL 22 CO -0.00 0.07 1.57 -2.65 0.00 0.00 0.00 175.10 174.08 1xsf n PRO 23 N 5.03 1.92 -1.66 2.72 -0.02 -1.26 -4.90 135.00 136.83 1xsf n PRO 23 Ca 0.03 0.69 -0.40 0.00 -2.02 0.00 0.00 63.50 61.80 1xsf n PRO 23 Cb 0.49 -2.44 0.02 0.00 -0.02 0.00 0.00 33.50 31.55 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 3.67 1.58 -2.93 0.52 -0.04 -1.26 -4.94 135.00 131.59 1xsf n PRO 24 Ca 0.18 0.57 -0.41 0.00 -0.04 0.00 0.00 63.50 63.80 1xsf n PRO 24 Cb 0.26 -2.26 -0.04 0.00 -0.04 0.00 0.00 33.50 31.43 1xsf n PRO 24 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xsf s VAL 25 N -1.27 4.93 0.06 0.52 0.11 -1.26 -4.94 120.40 118.55 1xsf s VAL 25 Ca 0.64 1.58 0.05 0.00 -2.93 0.00 0.00 61.98 61.33 1xsf s VAL 25 Cb -0.51 -4.11 -0.23 0.00 -1.53 0.00 0.00 36.38 30.00 1xsf s VAL 25 CO 0.55 0.10 1.07 0.40 -3.33 0.00 0.00 175.10 173.89 1xsf h ILE 26 N 5.05 1.42 -0.32 7.04 1.08 -2.03 -3.34 117.51 126.42 1xsf h ILE 26 Ca -0.33 -3.14 0.00 0.00 -0.39 0.00 0.00 64.86 61.00 1xsf h ILE 26 Cb 1.16 2.75 0.00 0.00 -3.07 0.00 0.00 36.82 37.66 1xsf h ILE 26 CO 0.80 0.84 0.00 0.47 -0.69 0.00 0.00 178.15 179.57 1xsf n ASP 27 N -3.32 2.94 -0.07 1.72 9.92 -1.26 -4.35 116.55 122.13 1xsf n ASP 27 Ca -0.07 -1.87 0.11 0.00 -0.53 0.00 0.00 54.79 52.42 1xsf n ASP 27 Cb 0.99 -0.21 0.59 0.00 -0.64 0.00 0.00 41.12 41.86 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 0.92 -0.84 0.09 0.44 0.00 -1.25 -2.39 105.19 102.14 1xsf n GLY 28 Ca 0.14 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 0.29 0.16 0.18 1.61 0.02 -1.83 0.90 113.55 114.87 1xsf h SER 29 Ca 0.00 -0.81 -0.16 0.00 -0.84 0.00 0.00 61.79 59.98 1xsf h SER 29 Cb 0.06 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1xsf h SER 29 CO 0.00 0.95 -0.59 0.16 -1.14 0.00 0.00 176.83 176.21 1xsf h ILE 30 N -0.60 1.35 -0.33 3.27 3.07 -1.75 0.74 117.51 123.25 1xsf h ILE 30 Ca -0.03 -1.91 -0.08 0.00 1.55 0.00 0.00 64.86 64.39 1xsf h ILE 30 Cb 0.99 1.90 -0.02 0.00 -0.27 0.00 0.00 36.82 39.43 1xsf h ILE 30 CO 0.04 0.58 -0.15 -0.50 -1.05 0.00 0.00 178.15 177.07 1xsf h TRP 31 N 0.31 0.65 0.01 0.16 -0.00 -1.52 0.89 115.95 116.45 1xsf h TRP 31 Ca -0.00 -0.11 -0.22 0.00 -0.00 0.00 0.00 58.89 58.56 1xsf h TRP 31 Cb 1.13 -0.17 -0.00 0.00 -0.00 0.00 0.00 29.16 30.11 1xsf h TRP 31 CO 0.04 0.71 -0.94 0.22 -0.00 0.00 0.00 178.44 178.47 1xsf h ASP 32 N 0.54 0.40 -0.28 -3.49 3.58 -0.58 -1.32 116.42 115.28 1xsf h ASP 32 Ca 0.09 -0.34 -0.08 0.00 0.42 0.00 0.00 57.03 57.13 1xsf h ASP 32 Cb 0.56 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 1xsf h ASP 32 CO 0.04 1.15 -0.08 0.00 -2.88 0.00 0.00 179.24 177.46 1xsf h ALA 33 N 0.82 1.13 -0.32 -0.78 0.00 -0.40 0.27 119.26 119.99 1xsf h ALA 33 Ca -0.07 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1xsf h ALA 33 Cb 1.58 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1xsf h ALA 33 CO 0.15 0.55 -0.08 0.82 0.00 0.00 0.00 179.25 180.70 1xsf h ILE 34 N 0.61 1.28 -0.41 0.00 2.04 -0.77 -0.53 117.51 119.73 1xsf h ILE 34 Ca 0.11 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1xsf h ILE 34 Cb 0.50 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1xsf h ILE 34 CO 0.03 0.36 0.26 0.00 0.00 0.00 0.00 178.15 178.80 1xsf h ALA 35 N 0.80 1.69 0.00 1.87 0.00 -0.80 0.24 119.26 123.05 1xsf h ALA 35 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xsf h ALA 35 Cb 0.57 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xsf h ALA 35 CO 0.03 0.28 0.00 0.78 0.00 0.00 0.00 179.25 180.35 1xsf h GLY 36 N 0.58 0.00 0.00 0.00 0.00 -0.24 0.29 103.07 103.71 1xsf h GLY 36 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 1xsf h GLY 36 CO -0.03 0.00 -0.49 0.00 0.00 0.00 0.00 176.54 176.02 1xsf h GLU 38 N -1.00 0.12 0.00 0.00 4.39 -0.82 -3.36 114.58 113.91 1xsf h GLU 38 Ca -0.07 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1xsf h GLU 38 Cb 0.59 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1xsf h GLU 38 CO -0.04 0.85 -0.94 0.00 -1.16 0.00 0.00 179.01 177.72 1xsf n ALA 39 N -2.66 4.15 -0.98 3.43 0.00 -0.74 -4.92 120.51 118.78 1xsf n ALA 39 Ca -0.18 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1xsf n ALA 39 Cb 1.04 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 0.59 0.81 0.00 0.00 -1.01 -3.84 105.19 103.22 1xsf n GLY 40 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.82 0.75 3.38 -0.02 0.00 0.02 -4.86 105.19 101.64 1xsf n GLY 41 Ca 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.48 -0.56 0.02 1.61 2.47 -1.25 -4.95 114.94 109.81 1xsf s ASN 42 Ca 0.00 1.15 0.22 0.00 0.42 0.00 0.00 52.86 54.65 1xsf s ASN 42 Cb 0.00 1.45 -0.02 0.00 -1.45 0.00 0.00 41.25 41.23 1xsf s ASN 42 CO 0.00 -0.22 0.99 0.79 -3.72 0.00 0.00 177.10 174.93 1xsf n TRP 43 N 5.10 0.10 -0.21 0.43 7.02 -1.26 0.37 117.44 128.97 1xsf n TRP 43 Ca -0.13 0.03 0.11 0.00 -1.02 0.00 0.00 57.50 56.49 1xsf n TRP 43 Cb 0.51 -0.25 0.28 0.00 -2.42 0.00 0.00 31.31 29.43 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 -1.69 2.36 -1.77 6.99 0.00 -1.26 -3.53 120.51 121.60 1xsf n ALA 44 Ca 0.03 -1.22 -0.38 0.00 0.00 0.00 0.00 53.44 51.87 1xsf n ALA 44 Cb 0.39 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.08 3.42 -0.29 0.00 2.07 -1.25 -4.84 121.20 119.22 1xsf s ILE 45 Ca 0.43 1.18 0.05 0.00 -1.41 0.00 0.00 60.65 60.90 1xsf s ILE 45 Cb 0.23 -3.66 0.20 0.00 0.13 0.00 0.00 42.46 39.36 1xsf s ILE 45 CO 0.30 0.10 0.60 0.21 -1.91 0.00 0.00 174.94 174.25 1xsf s ASN 46 N -1.26 -1.57 0.27 4.50 3.84 -1.26 0.62 114.94 120.07 1xsf s ASN 46 Ca 0.55 0.28 0.24 0.00 0.21 0.00 0.00 52.86 54.15 1xsf s ASN 46 Cb -0.28 2.04 0.47 0.00 -0.55 0.00 0.00 41.25 42.93 1xsf s ASN 46 CO 0.35 -0.29 1.54 0.71 -2.79 0.00 0.00 177.10 176.62 1xsf h THR 47 N 5.96 0.00 0.00 -5.21 1.35 -1.96 -3.47 112.91 109.58 1xsf h THR 47 Ca -0.04 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1xsf h THR 47 Cb 1.19 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1xsf h THR 47 CO 0.16 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.04 1xsf n GLY 48 N 1.23 0.85 1.01 5.82 0.00 -1.26 -4.96 105.19 107.89 1xsf n GLY 48 Ca 0.04 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 0.87 2.95 0.00 1.61 6.94 -1.26 -4.86 115.26 121.51 1xsf n ASN 49 Ca 0.00 -2.09 0.00 0.00 -0.02 0.00 0.00 54.58 52.47 1xsf n ASN 49 Cb 0.05 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.09 1xsf n ASN 49 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xsf n GLY 50 N 1.19 1.19 3.64 4.83 0.00 -1.26 -5.03 105.19 109.75 1xsf n GLY 50 Ca 0.17 0.00 -0.24 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 -2.30 2.60 0.32 1.61 2.02 -1.26 -0.29 117.35 120.05 1xsf s TYR 51 Ca 0.00 -0.34 0.04 0.00 -0.37 0.00 0.00 57.07 56.40 1xsf s TYR 51 Cb 0.00 -1.35 -0.06 0.00 -0.40 0.00 0.00 41.96 40.14 1xsf s TYR 51 CO 0.00 0.53 0.05 0.71 -1.57 0.00 0.00 175.55 175.27 1xsf s TYR 52 N -2.43 1.97 0.09 2.71 1.51 0.19 -4.46 117.35 116.92 1xsf s TYR 52 Ca 0.34 -0.94 -0.01 0.00 -1.01 0.00 0.00 57.07 55.44 1xsf s TYR 52 Cb -0.03 -1.28 0.02 0.00 -0.11 0.00 0.00 41.96 40.56 1xsf s TYR 52 CO 0.20 0.03 0.07 0.41 -1.11 0.00 0.00 175.55 175.15 1xsf n GLY 53 N -0.68 -2.60 7.00 0.71 0.00 0.20 -2.92 105.19 106.90 1xsf n GLY 53 Ca -0.02 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 1.72 1.62 0.58 -0.02 0.00 0.16 -2.79 105.19 106.46 1xsf n GLY 54 Ca 0.01 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.01 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 0.41 -3.42 1.61 0.31 -1.26 -3.97 118.33 112.00 1xsf n VAL 55 Ca 0.00 -0.42 -0.17 0.00 -0.01 0.00 0.00 64.34 63.74 1xsf n VAL 55 Cb 0.00 0.22 0.09 0.00 -0.91 0.00 0.00 33.84 33.24 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 0.42 -6.44 -2.53 5.55 1.13 -1.12 -4.93 117.38 109.46 1xsf n GLN 56 Ca 0.11 0.85 -0.42 0.00 -1.94 0.00 0.00 57.00 55.60 1xsf n GLN 56 Cb 0.27 -5.86 -0.03 0.00 0.11 0.00 0.00 30.24 24.72 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 -3.36 3.56 0.59 1.08 0.08 -1.15 -4.73 117.98 114.06 1xsf s PHE 57 Ca 0.02 1.51 -0.16 0.00 0.12 0.00 0.00 56.93 58.42 1xsf s PHE 57 Cb -0.00 -3.29 -0.03 0.00 -0.57 0.00 0.00 43.02 39.13 1xsf s PHE 57 CO 0.73 -0.70 1.08 0.16 -0.10 0.00 0.00 175.22 176.39 1xsf s ASP 58 N 0.59 5.65 0.37 1.36 -4.77 -1.26 0.52 116.67 119.13 1xsf s ASP 58 Ca 0.53 1.92 0.10 0.00 -3.30 0.00 0.00 52.55 51.80 1xsf s ASP 58 Cb -0.27 -2.55 0.85 0.00 -1.09 0.00 0.00 42.92 39.86 1xsf s ASP 58 CO 0.31 -1.26 1.90 -0.61 0.70 0.00 0.00 175.17 176.21 1xsf h GLN 59 N 0.53 0.63 -0.02 2.11 5.75 -1.01 -1.62 115.11 121.48 1xsf h GLN 59 Ca -0.47 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 57.98 1xsf h GLN 59 Cb 1.23 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 29.64 1xsf h GLN 59 CO 0.57 0.42 -0.01 0.78 -2.65 0.00 0.00 178.83 177.94 1xsf h GLY 60 N 0.65 0.04 1.03 2.39 0.00 -1.92 0.25 103.07 105.50 1xsf h GLY 60 Ca 0.40 -0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.62 1xsf h GLY 60 CO -0.16 0.03 0.05 -0.84 0.00 0.00 0.00 176.54 175.61 1xsf h THR 61 N -0.34 1.26 -0.15 4.70 2.02 -1.90 0.38 112.91 118.87 1xsf h THR 61 Ca 0.00 -1.04 0.01 0.00 0.77 0.00 0.00 66.41 66.15 1xsf h THR 61 Cb 0.39 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1xsf h THR 61 CO 0.00 0.38 0.06 -0.25 0.37 0.00 0.00 175.52 176.08 1xsf h TRP 62 N 0.84 0.11 -0.23 3.16 2.91 -1.22 -2.13 115.95 119.40 1xsf h TRP 62 Ca 0.16 0.01 -0.11 0.00 1.13 0.00 0.00 58.89 60.08 1xsf h TRP 62 Cb 0.47 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.08 1xsf h TRP 62 CO 0.03 0.06 -0.32 1.49 -1.03 0.00 0.00 178.44 178.68 1xsf h GLU 63 N 0.14 0.47 -0.63 2.65 4.81 -0.25 0.35 114.58 122.13 1xsf h GLU 63 Ca 0.06 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.03 1xsf h GLU 63 Cb 0.03 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1xsf h GLU 63 CO -0.06 0.74 0.17 0.00 -0.73 0.00 0.00 179.01 179.13 1xsf h ALA 64 N 1.26 0.83 -0.00 2.92 0.00 0.18 -1.14 119.26 123.31 1xsf h ALA 64 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xsf h ALA 64 Cb 0.76 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1xsf h ALA 64 CO 0.06 0.53 -0.22 0.09 0.00 0.00 0.00 179.25 179.72 1xsf n ASN 65 N -4.33 0.32 -0.47 0.00 5.03 -0.84 -4.95 115.26 110.01 1xsf n ASN 65 Ca 0.04 -0.06 0.00 0.00 0.87 0.00 0.00 54.58 55.43 1xsf n ASN 65 Cb 0.24 -0.11 0.00 0.00 -1.02 0.00 0.00 39.78 38.89 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 1.44 0.60 0.12 7.41 0.00 -0.43 -4.94 105.19 109.39 1xsf n GLY 66 Ca 0.08 -0.31 -0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 1.68 -0.02 0.00 -0.52 -3.33 103.07 100.88 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 0.14 1.41 0.00 0.00 0.00 176.54 178.09 1xsf h LEU 68 N 0.00 0.00 -0.85 3.11 4.07 -1.77 0.47 115.31 120.34 1xsf h LEU 68 Ca -0.01 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.83 1xsf h LEU 68 Cb 1.50 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.22 1xsf h LEU 68 CO 0.08 0.00 -0.51 0.08 -1.08 0.00 0.00 178.44 177.02 1xsf h ARG 69 N 0.00 0.17 0.11 1.13 0.11 -1.97 -2.69 114.38 111.24 1xsf h ARG 69 Ca 0.03 -0.10 -0.28 0.00 0.10 0.00 0.00 59.98 59.74 1xsf h ARG 69 Cb 0.31 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.39 1xsf h ARG 69 CO -0.00 0.64 -1.31 1.88 0.10 0.00 0.00 179.97 181.29 1xsf h TYR 70 N 0.14 0.42 0.00 4.08 0.05 -0.45 -3.47 116.97 117.73 1xsf h TYR 70 Ca 0.00 -0.31 0.00 0.00 0.05 0.00 0.00 58.73 58.48 1xsf h TYR 70 Cb 0.95 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.67 1xsf h TYR 70 CO 0.01 1.27 0.00 0.00 -1.05 0.00 0.00 178.16 178.39 1xsf n ALA 71 N -2.55 0.00 0.10 3.88 0.00 0.37 -4.64 120.51 117.67 1xsf n ALA 71 Ca -0.10 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.35 1xsf n ALA 71 Cb 1.02 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.52 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 0.05 -3.72 0.00 -0.02 -1.15 -3.16 135.00 127.00 1xsf n PRO 72 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 1xsf n PRO 72 Cb 0.00 -1.49 -0.10 0.00 -0.02 0.00 0.00 33.50 31.89 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 -2.00 0.46 0.53 -0.52 1.70 -1.26 -4.77 118.95 113.10 1xsf s ARG 73 Ca 0.02 0.66 0.23 0.00 -0.47 0.00 0.00 55.73 56.18 1xsf s ARG 73 Cb 0.01 0.15 1.39 0.00 -0.57 0.00 0.00 34.95 35.94 1xsf s ARG 73 CO 0.02 -0.09 2.04 0.00 -1.08 0.00 0.00 175.30 176.19 1xsf h ALA 74 N 6.03 2.32 -0.00 7.88 0.00 -1.88 -0.83 119.26 132.77 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 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xsf h ALA 74 CO 0.26 -0.47 -0.04 -0.40 0.00 0.00 0.00 179.25 178.59 1xsf n ASP 75 N -4.35 0.45 -0.10 0.00 5.75 -1.24 -2.48 116.55 114.58 1xsf n ASP 75 Ca 0.06 -0.86 -0.10 0.00 -0.01 0.00 0.00 54.79 53.88 1xsf n ASP 75 Cb 0.46 -0.05 -0.14 0.00 -1.03 0.00 0.00 41.12 40.36 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 -0.79 0.44 -4.86 -2.12 7.94 -0.37 -4.58 117.00 112.65 1xsf n LEU 76 Ca 0.19 -0.02 -0.30 0.00 -1.11 0.00 0.00 56.01 54.76 1xsf n LEU 76 Cb 0.23 0.27 0.05 0.00 0.53 0.00 0.00 43.42 44.49 1xsf n LEU 76 CO 0.20 0.53 0.74 0.00 -1.11 0.00 0.00 177.39 177.75 1xsf s ALA 77 N -2.46 2.82 0.27 1.96 0.00 -0.86 -4.95 121.76 118.54 1xsf s ALA 77 Ca -0.13 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 51.64 1xsf s ALA 77 Cb 0.06 -3.06 0.04 0.00 0.00 0.00 0.00 23.12 20.16 1xsf s ALA 77 CO 0.74 -1.14 0.36 0.25 0.00 0.00 0.00 175.76 175.96 1xsf n THR 78 N -3.03 0.00 0.07 0.00 -2.24 -1.26 -4.85 114.28 102.97 1xsf n THR 78 Ca 0.07 -0.93 -0.12 0.00 -2.27 0.00 0.00 64.05 60.80 1xsf n THR 78 Cb 0.56 -0.70 -0.05 0.00 -2.10 0.00 0.00 70.33 68.04 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 -0.41 -0.96 -0.78 3.08 -1.96 0.90 114.38 114.24 1xsf h ARG 79 Ca -0.13 0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.95 1xsf h ARG 79 Cb 0.59 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.69 1xsf h ARG 79 CO 0.19 -0.28 0.63 1.05 -1.07 0.00 0.00 179.97 180.49 1xsf h GLU 80 N -0.43 1.27 0.11 0.04 9.09 -1.98 0.33 114.58 123.02 1xsf h GLU 80 Ca 0.06 -0.08 -0.01 0.00 0.05 0.00 0.00 59.36 59.38 1xsf h GLU 80 Cb 0.50 -0.28 0.00 0.00 -1.65 0.00 0.00 28.75 27.32 1xsf h GLU 80 CO -0.22 0.85 -0.05 0.93 0.05 0.00 0.00 179.01 180.57 1xsf h GLU 81 N 1.31 -0.14 -0.44 1.06 3.07 -1.84 -0.17 114.58 117.43 1xsf h GLU 81 Ca 0.35 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.17 1xsf h GLU 81 Cb -0.13 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.79 1xsf h GLU 81 CO -0.07 0.02 0.05 1.96 -1.40 0.00 0.00 179.01 179.57 1xsf h GLN 82 N -0.27 0.68 -0.47 2.33 4.20 -0.31 -2.00 115.11 119.27 1xsf h GLN 82 Ca -0.01 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.55 1xsf h GLN 82 Cb 0.22 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1xsf h GLN 82 CO 0.02 0.67 0.30 0.82 -0.67 0.00 0.00 178.83 179.97 1xsf h ILE 83 N 0.65 1.11 -0.57 2.54 2.04 -0.20 0.32 117.51 123.40 1xsf h ILE 83 Ca 0.14 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1xsf h ILE 83 Cb 0.33 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1xsf h ILE 83 CO 0.01 0.11 0.37 0.00 0.00 0.00 0.00 178.15 178.64 1xsf h ALA 84 N 1.18 0.72 -0.06 1.87 0.00 -0.32 0.47 119.26 123.12 1xsf h ALA 84 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1xsf h ALA 84 Cb -0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1xsf h ALA 84 CO -0.05 0.17 -0.04 0.28 0.00 0.00 0.00 179.25 179.61 1xsf h VAL 85 N 0.77 1.35 -0.39 0.00 2.07 -1.17 -2.56 116.25 116.33 1xsf h VAL 85 Ca 0.21 -1.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1xsf h VAL 85 Cb -0.08 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1xsf h VAL 85 CO -0.04 0.31 0.11 0.00 0.02 0.00 0.00 177.57 177.97 1xsf h ALA 86 N 0.58 1.46 0.00 1.67 0.00 -0.16 -2.02 119.26 120.80 1xsf h ALA 86 Ca 0.01 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1xsf h ALA 86 Cb 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1xsf h ALA 86 CO 0.01 0.40 -0.52 1.05 0.00 0.00 0.00 179.25 180.19 1xsf h GLU 87 N 0.56 0.00 -0.63 0.00 -0.00 -0.01 0.45 114.58 114.95 1xsf h GLU 87 Ca 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.47 1xsf h GLU 87 Cb 0.19 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.91 1xsf h GLU 87 CO -0.01 0.52 0.30 0.28 -0.00 0.00 0.00 179.01 180.10 1xsf h VAL 88 N 0.00 1.22 -0.22 -1.06 2.07 -0.95 -3.11 116.25 114.20 1xsf h VAL 88 Ca -0.01 -0.63 -0.17 0.00 0.82 0.00 0.00 66.70 66.71 1xsf h VAL 88 Cb 0.97 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1xsf h VAL 88 CO 0.07 0.26 -0.54 0.74 0.02 0.00 0.00 177.57 178.11 1xsf h THR 89 N 0.88 1.30 -0.72 2.57 2.02 -0.75 -3.18 112.91 115.03 1xsf h THR 89 Ca 0.22 -1.75 0.02 0.00 0.77 0.00 0.00 66.41 65.67 1xsf h THR 89 Cb 0.13 1.82 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 1xsf h THR 89 CO -0.03 0.56 0.47 0.08 0.37 0.00 0.00 175.52 176.97 1xsf h ARG 90 N 0.49 0.88 0.00 6.66 0.11 -0.19 -2.47 114.38 119.86 1xsf h ARG 90 Ca -0.01 -0.05 -0.08 0.00 0.10 0.00 0.00 59.98 59.94 1xsf h ARG 90 Cb 1.16 -0.20 -0.01 0.00 1.11 0.00 0.00 29.97 32.03 1xsf h ARG 90 CO 0.12 0.58 -0.39 1.37 0.10 0.00 0.00 179.97 181.75 1xsf h LEU 91 N 0.91 0.00 0.07 0.08 8.10 -1.52 0.75 115.31 123.71 1xsf h LEU 91 Ca 0.28 0.00 -0.21 0.00 0.11 0.00 0.00 57.88 58.06 1xsf h LEU 91 Cb -0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 1xsf h LEU 91 CO -0.07 0.39 -1.05 0.03 -4.11 0.00 0.00 178.44 173.62 1xsf h ARG 92 N 0.00 0.15 0.00 0.17 3.08 -1.51 -3.41 114.38 112.87 1xsf h ARG 92 Ca -0.00 -0.26 -0.34 0.00 0.07 0.00 0.00 59.98 59.44 1xsf h ARG 92 Cb 1.04 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 31.13 1xsf h ARG 92 CO 0.05 1.13 -2.28 0.00 -1.07 0.00 0.00 179.97 177.80 1xsf n GLN 93 N -4.18 0.68 -0.93 0.04 10.64 -1.01 -5.01 117.38 117.62 1xsf n GLN 93 Ca -0.22 0.02 0.00 0.00 -1.83 0.00 0.00 57.00 54.97 1xsf n GLN 93 Cb 0.77 -1.56 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 1.70 1.13 2.32 2.61 0.00 0.25 -4.00 105.19 109.21 1xsf n GLY 94 Ca -0.29 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.52 -0.16 0.19 1.61 7.02 -1.22 -4.88 117.44 118.48 1xsf n TRP 95 Ca 0.00 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.53 1xsf n TRP 95 Cb 0.20 -2.39 0.38 0.00 -2.42 0.00 0.00 31.31 27.09 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 1.96 6.99 0.00 -1.91 -2.86 103.07 107.25 1xsf h GLY 96 Ca -0.26 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.90 1xsf h GLY 96 CO 0.36 0.00 -0.78 0.00 0.00 0.00 0.00 176.54 176.12 1xsf h ALA 97 N 1.64 0.70 -2.57 3.60 0.00 -1.90 -3.40 119.26 117.32 1xsf h ALA 97 Ca -0.00 -0.70 -0.73 0.00 0.00 0.00 0.00 54.91 53.48 1xsf h ALA 97 Cb 0.78 -0.12 -0.26 0.00 0.00 0.00 0.00 17.79 18.20 1xsf h ALA 97 CO 0.05 0.95 -0.40 -1.58 0.00 0.00 0.00 179.25 178.27 1xsf s TRP 98 N -3.25 3.30 0.00 0.00 0.51 -1.08 -5.03 118.94 113.39 1xsf s TRP 98 Ca -0.01 -1.29 0.00 0.00 -2.12 0.00 0.00 56.10 52.69 1xsf s TRP 98 Cb 0.11 -3.08 0.00 0.00 -0.81 0.00 0.00 33.47 29.70 1xsf s TRP 98 CO 0.79 -0.83 0.00 -2.30 -0.51 0.00 0.00 176.95 174.10 1xsf n PRO 99 N 5.04 0.00 0.17 4.98 -0.02 -1.26 -3.48 135.00 140.43 1xsf n PRO 99 Ca -0.11 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.40 1xsf n PRO 99 Cb 0.43 -0.15 0.30 0.00 -0.02 0.00 0.00 33.50 34.05 1xsf n PRO 99 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1xsf h VAL 100 N 0.00 1.08 -0.31 -1.45 3.04 -1.95 -2.91 116.25 113.75 1xsf h VAL 100 Ca 0.00 -1.66 -0.07 0.00 -1.01 0.00 0.00 66.70 63.96 1xsf h VAL 100 Cb 0.00 1.96 -0.02 0.00 -2.01 0.00 0.00 31.29 31.22 1xsf h VAL 100 CO 0.00 0.43 -0.13 0.00 -1.01 0.00 0.00 177.57 176.87 1xsf h ALA 102 N 1.38 0.30 -0.73 0.00 0.00 -1.54 0.45 119.26 119.12 1xsf h ALA 102 Ca 0.09 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1xsf h ALA 102 Cb 0.51 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1xsf h ALA 102 CO 0.03 -0.00 0.25 0.00 0.00 0.00 0.00 179.25 179.53 1xsf h ALA 103 N 0.83 0.95 -0.20 0.00 0.00 -1.55 0.39 119.26 119.68 1xsf h ALA 103 Ca 0.07 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 1xsf h ALA 103 Cb 0.35 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xsf h ALA 103 CO 0.01 0.61 -0.61 0.00 0.00 0.00 0.00 179.25 179.26 1xsf h ARG 104 N 1.07 0.68 0.00 0.00 -0.00 -0.92 -3.28 114.38 111.93 1xsf h ARG 104 Ca 0.24 -0.47 -0.18 0.00 -0.50 0.00 0.00 59.98 59.07 1xsf h ARG 104 Cb 0.27 0.07 -0.03 0.00 0.00 0.00 0.00 29.97 30.28 1xsf h ARG 104 CO -0.01 1.09 -0.96 0.00 0.00 0.00 0.00 179.97 180.08 1xsf h ALA 105 N 0.80 0.54 0.00 0.04 0.00 0.10 -3.49 119.26 117.26 1xsf h ALA 105 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1xsf h ALA 105 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xsf h ALA 105 CO 0.12 1.04 0.00 0.41 0.00 0.00 0.00 179.25 180.82 1xsf n GLY 106 N 1.34 0.70 3.69 0.00 0.00 0.23 -4.49 105.19 106.67 1xsf n GLY 106 Ca -0.02 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 1xsf n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsf n ALA 107 N 0.00 0.85 -1.18 4.61 0.00 0.11 -4.96 120.51 119.95 1xsf n ALA 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xsf n ALA 107 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.19 1xsf n ALA 107 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39