#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 0.16 -2.39 3.53 3.14 -1.26 -4.94 118.33 116.58 1xsf n VAL 2 Ca 0.00 -0.51 -0.42 0.00 -2.96 0.00 0.00 64.34 60.44 1xsf n VAL 2 Cb 0.00 -0.09 -0.03 0.00 -1.06 0.00 0.00 33.84 32.66 1xsf n VAL 2 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1xsf s VAL 3 N -3.48 4.06 0.13 1.55 1.01 -1.26 -5.00 120.40 117.41 1xsf s VAL 3 Ca -0.06 1.42 -0.29 0.00 0.00 0.00 0.00 61.98 63.05 1xsf s VAL 3 Cb 0.13 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 1xsf s VAL 3 CO 0.88 0.02 0.91 -0.69 0.00 0.00 0.00 175.10 176.22 1xsf s VAL 4 N 2.04 4.45 -0.12 2.92 1.01 -1.26 -5.05 120.40 124.39 1xsf s VAL 4 Ca 0.59 1.98 -0.00 0.00 0.00 0.00 0.00 61.98 64.54 1xsf s VAL 4 Cb -0.27 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 31.85 1xsf s VAL 4 CO 0.25 0.37 -0.09 0.42 0.00 0.00 0.00 175.10 176.05 1xsf s THR 5 N -0.29 1.14 0.73 3.92 -4.23 -1.26 -5.13 115.64 110.52 1xsf s THR 5 Ca 0.44 -0.36 -0.11 0.00 -1.18 0.00 0.00 61.69 60.47 1xsf s THR 5 Cb -0.23 -1.13 0.03 0.00 1.34 0.00 0.00 72.50 72.51 1xsf s THR 5 CO 0.29 0.39 1.10 -2.84 -0.54 0.00 0.00 174.62 173.01 1xsf s PRO 6 N 1.65 2.64 0.66 3.99 0.02 -1.26 -4.91 135.00 137.79 1xsf s PRO 6 Ca 0.05 0.51 0.00 0.00 0.02 0.00 0.00 61.00 61.58 1xsf s PRO 6 Cb -0.13 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.40 1xsf s PRO 6 CO -0.09 -1.20 0.00 0.00 -0.33 0.00 0.00 177.00 175.38 1xsf n ALA 7 N -3.13 -2.67 -0.02 -1.55 0.00 -1.26 -4.80 120.51 107.08 1xsf n ALA 7 Ca 0.07 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1xsf n ALA 7 Cb 0.57 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 -3.30 0.00 -2.71 0.00 -0.00 -1.26 -4.95 115.22 103.01 1xsf n HIS 8 Ca 0.01 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.34 1xsf n HIS 8 Cb 0.44 -0.53 -0.06 0.00 -0.00 0.00 0.00 29.99 29.84 1xsf n HIS 8 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 1xsf s GLU 9 N -0.01 4.69 -0.68 1.57 -1.05 -1.26 -4.99 118.70 116.97 1xsf s GLU 9 Ca 0.00 1.48 0.05 0.00 -0.15 0.00 0.00 54.97 56.35 1xsf s GLU 9 Cb 0.00 -3.06 0.28 0.00 -0.44 0.00 0.00 34.13 30.91 1xsf s GLU 9 CO 0.00 0.35 0.89 0.00 0.95 0.00 0.00 175.26 177.45 1xsf n ALA 10 N 1.03 4.36 0.38 -0.84 0.00 -1.26 -4.89 120.51 119.30 1xsf n ALA 10 Ca -0.00 -4.76 -0.19 0.00 0.00 0.00 0.00 53.44 48.49 1xsf n ALA 10 Cb 0.48 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 18.81 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 3.13 0.08 -4.45 0.00 2.07 -2.02 -3.47 116.25 111.58 1xsf h VAL 11 Ca 0.19 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.53 1xsf h VAL 11 Cb 0.61 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1xsf h VAL 11 CO 0.89 0.00 -0.66 0.55 0.02 0.00 0.00 177.57 178.37 1xsf n VAL 12 N -5.58 -1.94 -4.51 2.57 3.14 -1.26 -4.98 118.33 105.76 1xsf n VAL 12 Ca -0.14 0.09 -0.21 0.00 -2.96 0.00 0.00 64.34 61.11 1xsf n VAL 12 Cb 0.47 -1.90 -0.15 0.00 -1.06 0.00 0.00 33.84 31.19 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 -1.21 1.11 0.32 1.45 1.70 -1.26 -5.14 118.95 115.91 1xsf s ARG 13 Ca 0.18 -0.40 -0.03 0.00 -0.47 0.00 0.00 55.73 55.01 1xsf s ARG 13 Cb -0.02 -1.03 -0.04 0.00 -0.57 0.00 0.00 34.95 33.29 1xsf s ARG 13 CO 0.40 0.18 0.56 0.08 -1.08 0.00 0.00 175.30 175.44 1xsf s VAL 14 N 0.02 5.05 0.00 4.99 1.01 -1.26 -5.04 120.40 125.16 1xsf s VAL 14 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1xsf s VAL 14 Cb -0.08 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1xsf s VAL 14 CO 0.00 -0.42 0.00 0.61 0.00 0.00 0.00 175.10 175.29 1xsf n GLY 15 N -1.25 -2.01 0.07 4.51 0.00 -1.26 -4.98 105.19 100.27 1xsf n GLY 15 Ca -0.02 0.96 0.06 0.00 0.00 0.00 0.00 46.02 47.01 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 0.64 -1.70 2.61 -1.04 -1.26 -4.87 114.28 108.67 1xsf n THR 16 Ca 0.00 -0.60 -0.43 0.00 -2.04 0.00 0.00 64.05 60.98 1xsf n THR 16 Cb 0.00 -0.34 -0.03 0.00 -1.82 0.00 0.00 70.33 68.14 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 -3.21 3.19 0.77 -2.82 -0.14 -1.26 -4.99 119.74 111.28 1xsf s LYS 17 Ca -0.05 1.90 -0.08 0.00 -1.36 0.00 0.00 55.97 56.38 1xsf s LYS 17 Cb 0.10 -4.33 0.11 0.00 -1.68 0.00 0.00 37.83 32.03 1xsf s LYS 17 CO 0.84 -2.04 1.09 -1.25 -0.76 0.00 0.00 175.35 173.23 1xsf s PRO 18 N 6.17 1.72 -0.19 -1.68 0.05 -1.26 -4.96 135.00 134.86 1xsf s PRO 18 Ca 0.96 -0.45 0.00 0.00 0.05 0.00 0.00 61.00 61.57 1xsf s PRO 18 Cb -0.31 -2.12 0.20 0.00 0.05 0.00 0.00 34.50 32.32 1xsf s PRO 18 CO 0.35 -1.57 1.61 0.41 0.05 0.00 0.00 177.00 177.85 1xsf n GLY 19 N -3.12 3.19 0.27 0.56 0.00 -1.26 -4.33 105.19 100.50 1xsf n GLY 19 Ca 0.11 -0.55 -0.06 0.00 0.00 0.00 0.00 46.02 45.52 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 0.62 1.20 -0.92 2.61 2.02 -2.00 -3.20 112.91 113.24 1xsf h THR 20 Ca 0.21 -0.48 -0.73 0.00 0.77 0.00 0.00 66.41 66.18 1xsf h THR 20 Cb 1.34 0.33 -0.10 0.00 -1.74 0.00 0.00 68.15 67.98 1xsf h THR 20 CO 0.45 0.22 2.36 -1.84 0.37 0.00 0.00 175.52 177.08 1xsf n GLU 21 N -4.55 3.25 -2.36 6.66 0.28 -1.26 -4.97 120.64 117.70 1xsf n GLU 21 Ca 0.05 -3.20 -0.41 0.00 -0.16 0.00 0.00 57.16 53.44 1xsf n GLU 21 Cb 0.08 -3.16 -0.03 0.00 1.43 0.00 0.00 31.44 29.75 1xsf n GLU 21 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1xsf s VAL 22 N 2.14 3.39 0.22 3.84 0.11 -1.21 -4.97 120.40 123.90 1xsf s VAL 22 Ca 0.45 1.26 -0.32 0.00 -2.93 0.00 0.00 61.98 60.44 1xsf s VAL 22 Cb 0.09 -3.80 -0.14 0.00 -1.53 0.00 0.00 36.38 30.99 1xsf s VAL 22 CO -0.02 0.25 1.40 -2.65 -3.33 0.00 0.00 175.10 170.75 1xsf n PRO 23 N 1.84 1.94 -1.67 1.54 -0.02 -1.26 -4.89 135.00 132.48 1xsf n PRO 23 Ca 0.02 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 1xsf n PRO 23 Cb 0.44 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 2.20 1.82 -2.74 0.52 -0.04 -1.26 -4.93 135.00 130.57 1xsf n PRO 24 Ca 0.13 0.64 -0.42 0.00 -0.04 0.00 0.00 63.50 63.81 1xsf n PRO 24 Cb 0.30 -2.22 -0.03 0.00 -0.04 0.00 0.00 33.50 31.51 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 -1.15 4.87 0.27 0.52 1.01 -1.26 -4.94 120.40 119.71 1xsf s VAL 25 Ca 0.59 1.99 -0.01 0.00 0.00 0.00 0.00 61.98 64.54 1xsf s VAL 25 Cb -0.57 -4.29 0.28 0.00 0.00 0.00 0.00 36.38 31.80 1xsf s VAL 25 CO 0.60 0.13 1.88 0.40 0.00 0.00 0.00 175.10 178.10 1xsf h ILE 26 N 4.88 1.06 0.00 2.22 1.08 -2.02 0.10 117.51 124.83 1xsf h ILE 26 Ca -0.38 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 63.70 1xsf h ILE 26 Cb 1.20 -0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.76 1xsf h ILE 26 CO 0.78 0.21 -0.05 -0.78 -0.69 0.00 0.00 178.15 177.62 1xsf h ASP 27 N 1.14 0.00 0.00 1.72 3.58 -1.99 -2.98 116.42 117.89 1xsf h ASP 27 Ca 0.44 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.88 1xsf h ASP 27 Cb 0.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.28 1xsf h ASP 27 CO -0.19 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.79 1xsf n GLY 28 N 1.23 -0.75 0.16 -0.78 0.00 0.02 -1.94 105.19 103.13 1xsf n GLY 28 Ca 0.05 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 0.70 -0.20 1.61 0.02 -1.61 0.22 113.55 114.30 1xsf h SER 29 Ca 0.00 -0.79 -0.18 0.00 -0.84 0.00 0.00 61.79 59.98 1xsf h SER 29 Cb 0.00 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.32 1xsf h SER 29 CO 0.00 1.40 -0.55 0.40 -1.14 0.00 0.00 176.83 176.95 1xsf h ILE 30 N 0.08 1.29 -0.26 3.27 1.08 -1.57 -1.58 117.51 119.82 1xsf h ILE 30 Ca -0.12 -1.75 -0.11 0.00 -0.39 0.00 0.00 64.86 62.50 1xsf h ILE 30 Cb 1.57 1.66 -0.01 0.00 -3.07 0.00 0.00 36.82 36.97 1xsf h ILE 30 CO 0.17 0.56 -0.29 -0.50 -0.69 0.00 0.00 178.15 177.41 1xsf h TRP 31 N 0.61 0.60 -0.10 1.37 -0.00 -1.53 0.19 115.95 117.09 1xsf h TRP 31 Ca 0.01 -0.14 -0.16 0.00 -0.00 0.00 0.00 58.89 58.61 1xsf h TRP 31 Cb 1.14 -0.14 0.01 0.00 -0.00 0.00 0.00 29.16 30.16 1xsf h TRP 31 CO 0.06 0.76 -0.55 0.22 -0.00 0.00 0.00 178.44 178.93 1xsf h ASP 32 N 0.46 0.66 0.12 -3.49 3.58 -0.50 -0.07 116.42 117.18 1xsf h ASP 32 Ca 0.06 -0.65 -0.11 0.00 0.42 0.00 0.00 57.03 56.75 1xsf h ASP 32 Cb 0.73 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 1xsf h ASP 32 CO 0.06 1.20 -0.38 0.00 -2.88 0.00 0.00 179.24 177.24 1xsf h ALA 33 N 0.47 1.05 -0.35 -0.78 0.00 -1.03 0.14 119.26 118.76 1xsf h ALA 33 Ca -0.04 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1xsf h ALA 33 Cb 1.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1xsf h ALA 33 CO 0.11 0.60 -0.05 0.82 0.00 0.00 0.00 179.25 180.74 1xsf h ILE 34 N 0.30 1.27 -0.66 0.00 2.04 -0.63 -1.37 117.51 118.45 1xsf h ILE 34 Ca 0.03 -1.07 0.05 0.00 1.00 0.00 0.00 64.86 64.87 1xsf h ILE 34 Cb 0.81 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 1xsf h ILE 34 CO 0.06 0.35 0.44 0.00 0.00 0.00 0.00 178.15 179.01 1xsf h ALA 35 N 0.84 1.71 0.00 1.87 0.00 -0.46 0.27 119.26 123.50 1xsf h ALA 35 Ca 0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1xsf h ALA 35 Cb 0.53 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xsf h ALA 35 CO 0.03 0.19 -0.16 0.78 0.00 0.00 0.00 179.25 180.09 1xsf h GLY 36 N 0.71 0.00 0.00 0.00 0.00 -0.45 0.19 103.07 103.52 1xsf h GLY 36 Ca 0.28 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.48 1xsf h GLY 36 CO -0.09 0.00 -0.79 0.00 0.00 0.00 0.00 176.54 175.67 1xsf h GLU 38 N -1.00 0.13 -0.01 0.00 4.57 -0.68 -3.36 114.58 114.24 1xsf h GLU 38 Ca -0.19 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1xsf h GLU 38 Cb 0.99 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1xsf h GLU 38 CO -0.11 0.88 -0.63 0.00 -1.18 0.00 0.00 179.01 177.96 1xsf n ALA 39 N -2.68 3.86 -1.02 2.92 0.00 -0.54 -4.94 120.51 118.11 1xsf n ALA 39 Ca -0.19 -0.52 -0.01 0.00 0.00 0.00 0.00 53.44 52.72 1xsf n ALA 39 Cb 1.04 -0.63 -0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 1.34 0.48 1.72 0.00 0.00 -0.89 -3.52 105.19 104.32 1xsf n GLY 40 Ca 0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.60 0.53 2.74 -0.02 0.00 0.54 -4.84 105.19 101.54 1xsf n GLY 41 Ca -0.01 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 1xsf n GLY 41 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xsf s ASN 42 N -3.09 1.76 0.00 1.61 2.47 -1.23 -4.94 114.94 111.51 1xsf s ASN 42 Ca 0.06 -0.62 0.29 0.00 0.42 0.00 0.00 52.86 53.01 1xsf s ASN 42 Cb -0.01 0.39 1.26 0.00 -1.45 0.00 0.00 41.25 41.45 1xsf s ASN 42 CO 0.12 -0.37 1.90 0.79 -3.72 0.00 0.00 177.10 175.82 1xsf n TRP 43 N 5.31 0.00 -0.55 0.43 7.02 -1.26 -0.80 117.44 127.58 1xsf n TRP 43 Ca -0.04 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.51 1xsf n TRP 43 Cb 0.47 -0.29 0.19 0.00 -2.42 0.00 0.00 31.31 29.26 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 -1.22 2.52 -1.75 6.99 0.00 -1.26 -3.42 120.51 122.36 1xsf n ALA 44 Ca 0.12 -1.70 -0.40 0.00 0.00 0.00 0.00 53.44 51.47 1xsf n ALA 44 Cb 0.28 -0.52 -0.06 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.86 4.08 -0.25 0.00 2.07 -1.12 -4.83 121.20 119.28 1xsf s ILE 45 Ca 0.30 2.05 -0.02 0.00 -1.41 0.00 0.00 60.65 61.57 1xsf s ILE 45 Cb 0.21 -4.29 0.13 0.00 0.13 0.00 0.00 42.46 38.65 1xsf s ILE 45 CO 0.11 0.45 0.33 0.21 -1.91 0.00 0.00 174.94 174.13 1xsf s ASN 46 N -1.23 0.78 0.29 4.50 3.84 -1.26 0.16 114.94 122.03 1xsf s ASN 46 Ca 0.42 -0.12 0.19 0.00 0.21 0.00 0.00 52.86 53.56 1xsf s ASN 46 Cb -0.25 0.83 0.12 0.00 -0.55 0.00 0.00 41.25 41.39 1xsf s ASN 46 CO 0.31 -0.33 1.37 0.71 -2.79 0.00 0.00 177.10 176.37 1xsf h THR 47 N 6.23 0.45 0.00 -5.21 1.35 -1.96 -3.48 112.91 110.28 1xsf h THR 47 Ca -0.17 -1.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.03 1xsf h THR 47 Cb 1.14 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 1xsf h THR 47 CO 0.28 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 1xsf n GLY 48 N 1.20 0.74 1.01 5.82 0.00 -1.26 -4.96 105.19 107.74 1xsf n GLY 48 Ca 0.01 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.60 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 0.94 2.94 0.00 1.61 6.94 -1.26 -4.85 115.26 121.58 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 0.01 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.05 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 1.47 3.78 4.83 0.00 -1.26 -5.03 105.19 110.17 1xsf n GLY 50 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1xsf n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xsf s TYR 51 N -2.32 2.97 0.31 1.61 1.51 -1.26 0.30 117.35 120.46 1xsf s TYR 51 Ca 0.00 -0.17 0.03 0.00 -1.01 0.00 0.00 57.07 55.92 1xsf s TYR 51 Cb 0.00 -1.39 -0.06 0.00 -0.11 0.00 0.00 41.96 40.40 1xsf s TYR 51 CO 0.00 0.51 0.08 0.71 -1.11 0.00 0.00 175.55 175.74 1xsf s TYR 52 N -2.21 1.81 1.40 2.71 1.51 -0.40 -4.43 117.35 117.74 1xsf s TYR 52 Ca 0.33 -1.06 -0.22 0.00 -1.01 0.00 0.00 57.07 55.12 1xsf s TYR 52 Cb -0.07 -1.15 0.36 0.00 -0.11 0.00 0.00 41.96 40.99 1xsf s TYR 52 CO 0.24 -0.13 0.94 0.20 -1.11 0.00 0.00 175.55 175.69 1xsf s GLY 53 N -3.44 1.43 0.00 0.71 0.00 0.12 -2.31 107.32 103.84 1xsf s GLY 53 Ca 0.36 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.32 1xsf s GLY 53 CO 0.15 0.22 0.00 0.61 0.00 0.00 0.00 173.10 174.08 1xsf n GLY 54 N 1.28 1.77 0.14 0.20 0.00 0.02 -3.15 105.19 105.44 1xsf n GLY 54 Ca 0.12 -0.28 0.15 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 0.00 -3.68 1.61 0.31 -1.26 -4.05 118.33 111.26 1xsf n VAL 55 Ca 0.00 -0.07 -0.23 0.00 -0.01 0.00 0.00 64.34 64.03 1xsf n VAL 55 Cb 0.00 -0.14 0.03 0.00 -0.91 0.00 0.00 33.84 32.82 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 -0.80 -3.92 -4.65 5.55 7.27 -0.98 -4.88 117.38 114.97 1xsf n GLN 56 Ca 0.18 0.60 -0.29 0.00 0.07 0.00 0.00 57.00 57.55 1xsf n GLN 56 Cb 0.24 -5.00 -0.10 0.00 2.41 0.00 0.00 30.24 27.79 1xsf n GLN 56 CO 0.00 0.00 0.00 -0.59 0.07 0.00 0.00 177.06 176.54 1xsf s PHE 57 N -3.64 2.21 0.42 3.69 -0.71 -1.20 -4.66 117.98 114.09 1xsf s PHE 57 Ca 0.12 -0.82 -0.14 0.00 -1.04 0.00 0.00 56.93 55.05 1xsf s PHE 57 Cb -0.03 -1.65 -0.08 0.00 -1.21 0.00 0.00 43.02 40.05 1xsf s PHE 57 CO 0.82 0.30 0.84 0.34 -1.34 0.00 0.00 175.22 176.18 1xsf s ASP 58 N -3.75 6.62 0.24 1.98 2.15 -1.26 -1.28 116.67 121.37 1xsf s ASP 58 Ca 0.24 1.32 -0.05 0.00 0.43 0.00 0.00 52.55 54.49 1xsf s ASP 58 Cb 0.07 -2.40 0.36 0.00 -0.30 0.00 0.00 42.92 40.65 1xsf s ASP 58 CO 0.12 -0.42 1.84 -0.61 -0.17 0.00 0.00 175.17 175.93 1xsf h GLN 59 N 1.36 0.88 -0.11 4.34 5.75 -0.52 0.31 115.11 127.12 1xsf h GLN 59 Ca -0.47 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 57.96 1xsf h GLN 59 Cb 1.18 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 29.53 1xsf h GLN 59 CO 0.63 0.58 0.02 0.78 -2.65 0.00 0.00 178.83 178.20 1xsf h GLY 60 N 0.91 0.19 0.94 2.39 0.00 -1.94 0.49 103.07 106.05 1xsf h GLY 60 Ca 0.39 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.53 1xsf h GLY 60 CO -0.20 0.12 0.02 -0.84 0.00 0.00 0.00 176.54 175.64 1xsf h THR 61 N -0.04 1.25 -0.30 4.70 2.02 -1.91 0.14 112.91 118.76 1xsf h THR 61 Ca 0.03 -0.96 0.04 0.00 0.77 0.00 0.00 66.41 66.29 1xsf h THR 61 Cb 0.28 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 1xsf h THR 61 CO 0.00 0.32 0.09 -0.25 0.37 0.00 0.00 175.52 176.05 1xsf h TRP 62 N 0.51 0.15 -0.14 3.16 2.91 -0.23 -1.23 115.95 121.08 1xsf h TRP 62 Ca 0.11 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 60.05 1xsf h TRP 62 Cb 0.44 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.05 1xsf h TRP 62 CO 0.03 0.05 -0.35 1.49 -1.03 0.00 0.00 178.44 178.64 1xsf h GLU 63 N 0.21 0.29 -0.48 2.65 4.22 0.12 0.35 114.58 121.93 1xsf h GLU 63 Ca 0.14 -0.12 -0.09 0.00 0.08 0.00 0.00 59.36 59.37 1xsf h GLU 63 Cb 0.13 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1xsf h GLU 63 CO -0.16 0.60 -0.04 0.00 -2.18 0.00 0.00 179.01 177.23 1xsf h ALA 64 N 1.39 0.66 0.00 2.92 0.00 0.04 -1.55 119.26 122.71 1xsf h ALA 64 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1xsf h ALA 64 Cb 0.73 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xsf h ALA 64 CO 0.06 0.49 0.00 -0.91 0.00 0.00 0.00 179.25 178.89 1xsf h ASN 65 N 0.73 0.00 -0.51 0.00 2.35 -1.14 -3.47 115.58 113.54 1xsf h ASN 65 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1xsf h ASN 65 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1xsf h ASN 65 CO 0.03 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.42 1xsf n GLY 66 N 0.83 0.58 0.12 2.83 0.00 -0.58 -4.93 105.19 104.03 1xsf n GLY 66 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.51 -3.31 103.07 101.23 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 -0.01 1.41 0.00 0.00 0.00 176.54 177.94 1xsf h LEU 68 N 0.00 0.00 -1.20 3.11 4.07 -1.77 0.39 115.31 119.91 1xsf h LEU 68 Ca -0.01 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.89 1xsf h LEU 68 Cb 1.48 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.20 1xsf h LEU 68 CO 0.08 0.01 -0.12 0.08 -1.08 0.00 0.00 178.44 177.42 1xsf h ARG 69 N 0.00 0.41 0.08 1.13 0.11 -1.97 -2.02 114.38 112.11 1xsf h ARG 69 Ca -0.00 -0.11 -0.25 0.00 0.10 0.00 0.00 59.98 59.72 1xsf h ARG 69 Cb 0.04 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.07 1xsf h ARG 69 CO 0.00 0.53 -1.11 1.88 0.10 0.00 0.00 179.97 181.38 1xsf h TYR 70 N 0.39 0.56 0.00 4.08 0.05 -0.57 -3.47 116.97 118.00 1xsf h TYR 70 Ca 0.07 -0.36 0.00 0.00 0.05 0.00 0.00 58.73 58.50 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 1.23 0.00 0.00 -1.05 0.00 0.00 178.16 178.35 1xsf n ALA 71 N -2.54 0.00 0.00 3.88 0.00 0.32 -4.53 120.51 117.63 1xsf n ALA 71 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1xsf n ALA 71 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.39 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 -0.01 0.00 -3.80 0.00 -0.02 -1.14 -3.37 135.00 126.67 1xsf n PRO 72 Ca 0.00 0.27 -0.13 0.00 -2.02 0.00 0.00 63.50 61.62 1xsf n PRO 72 Cb 0.00 -1.56 -0.11 0.00 -0.02 0.00 0.00 33.50 31.81 1xsf n PRO 72 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1xsf s ARG 73 N -2.47 0.38 0.57 -0.52 1.70 -1.26 -4.77 118.95 112.58 1xsf s ARG 73 Ca 0.00 0.15 0.27 0.00 -0.47 0.00 0.00 55.73 55.67 1xsf s ARG 73 Cb 0.00 0.18 1.65 0.00 -0.57 0.00 0.00 34.95 36.21 1xsf s ARG 73 CO 0.00 -0.07 2.18 0.00 -1.08 0.00 0.00 175.30 176.33 1xsf h ALA 74 N 5.23 1.73 0.00 7.88 0.00 -1.87 -1.45 119.26 130.79 1xsf h ALA 74 Ca -0.27 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1xsf h ALA 74 Cb 1.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1xsf h ALA 74 CO 0.37 -0.10 -0.39 -0.44 0.00 0.00 0.00 179.25 178.68 1xsf h ASP 75 N 0.00 0.00 0.65 0.00 5.19 -1.79 -3.05 116.42 117.42 1xsf h ASP 75 Ca 0.03 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.18 1xsf h ASP 75 Cb 0.17 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.64 1xsf h ASP 75 CO -0.00 0.39 -1.48 0.25 -3.12 0.00 0.00 179.24 175.28 1xsf h LEU 76 N 0.00 0.01-10.36 1.55 5.85 -1.56 -3.42 115.31 107.38 1xsf h LEU 76 Ca -0.00 -0.02 -0.50 0.00 0.84 0.00 0.00 57.88 58.20 1xsf h LEU 76 Cb 1.01 -0.00 0.05 0.00 0.37 0.00 0.00 40.66 42.09 1xsf h LEU 76 CO 0.05 1.02 0.30 0.00 -0.34 0.00 0.00 178.44 179.46 1xsf s ALA 77 N -2.63 3.19 0.11 1.25 0.00 -0.99 -4.94 121.76 117.74 1xsf s ALA 77 Ca -0.03 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1xsf s ALA 77 Cb 0.09 -2.87 0.02 0.00 0.00 0.00 0.00 23.12 20.36 1xsf s ALA 77 CO 0.82 -0.65 0.14 0.25 0.00 0.00 0.00 175.76 176.32 1xsf n THR 78 N -2.61 0.00 -0.11 0.00 -2.24 -1.26 -4.86 114.28 103.20 1xsf n THR 78 Ca 0.04 -0.36 -0.07 0.00 -2.27 0.00 0.00 64.05 61.39 1xsf n THR 78 Cb 0.55 -0.84 -0.00 0.00 -2.10 0.00 0.00 70.33 67.93 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 -0.19 -0.89 -0.78 3.08 -1.97 -1.45 114.38 112.18 1xsf h ARG 79 Ca -0.05 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1xsf h ARG 79 Cb 0.23 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 1xsf h ARG 79 CO 0.08 -0.13 0.50 1.05 -1.07 0.00 0.00 179.97 180.40 1xsf h GLU 80 N -0.20 1.23 0.14 0.04 -0.00 -1.97 0.17 114.58 113.99 1xsf h GLU 80 Ca 0.18 -0.14 -0.01 0.00 -0.00 0.00 0.00 59.36 59.40 1xsf h GLU 80 Cb 0.49 -0.25 0.00 0.00 -0.00 0.00 0.00 28.75 28.99 1xsf h GLU 80 CO -0.50 0.89 -0.07 0.93 -0.00 0.00 0.00 179.01 180.27 1xsf h GLU 81 N 1.24 -0.18 -0.57 1.06 3.07 -1.84 -1.72 114.58 115.65 1xsf h GLU 81 Ca 0.31 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.20 1xsf h GLU 81 Cb 0.01 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.93 1xsf h GLU 81 CO -0.05 -0.04 0.38 1.96 -1.40 0.00 0.00 179.01 179.86 1xsf h GLN 82 N -0.28 0.72 -0.07 2.33 4.20 -0.57 -1.10 115.11 120.34 1xsf h GLN 82 Ca -0.02 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.65 1xsf h GLN 82 Cb 0.22 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1xsf h GLN 82 CO 0.03 0.48 0.03 0.82 -0.67 0.00 0.00 178.83 179.51 1xsf h ILE 83 N 0.74 0.99 -0.53 2.54 2.04 -0.49 0.92 117.51 123.71 1xsf h ILE 83 Ca 0.21 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 1xsf h ILE 83 Cb -0.04 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1xsf h ILE 83 CO -0.05 0.01 0.31 0.00 0.00 0.00 0.00 178.15 178.42 1xsf h ALA 84 N 1.04 0.68 -0.04 1.87 0.00 -0.29 0.56 119.26 123.09 1xsf h ALA 84 Ca 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1xsf h ALA 84 Cb 0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1xsf h ALA 84 CO -0.03 0.19 -0.03 0.28 0.00 0.00 0.00 179.25 179.65 1xsf h VAL 85 N 0.71 1.36 -0.13 0.00 2.07 -1.22 -2.71 116.25 116.34 1xsf h VAL 85 Ca 0.19 -1.14 -0.07 0.00 0.82 0.00 0.00 66.70 66.50 1xsf h VAL 85 Cb 0.02 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1xsf h VAL 85 CO -0.03 0.31 -0.24 0.00 0.02 0.00 0.00 177.57 177.62 1xsf h ALA 86 N 0.56 1.35 -0.05 1.67 0.00 -0.64 -2.76 119.26 119.38 1xsf h ALA 86 Ca 0.01 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1xsf h ALA 86 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1xsf h ALA 86 CO 0.01 0.45 -0.52 1.05 0.00 0.00 0.00 179.25 180.24 1xsf h GLU 87 N 0.21 0.14 -0.73 0.00 -0.00 0.16 0.11 114.58 114.48 1xsf h GLU 87 Ca 0.04 -0.08 -0.00 0.00 -0.00 0.00 0.00 59.36 59.31 1xsf h GLU 87 Cb 0.55 0.01 -0.04 0.00 -0.00 0.00 0.00 28.75 29.27 1xsf h GLU 87 CO 0.04 0.62 0.45 0.28 -0.00 0.00 0.00 179.01 180.40 1xsf h VAL 88 N 0.11 1.20 -0.34 -1.06 2.07 -1.19 -2.94 116.25 114.10 1xsf h VAL 88 Ca 0.00 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 1xsf h VAL 88 Cb 0.95 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1xsf h VAL 88 CO 0.07 0.21 -0.08 0.74 0.02 0.00 0.00 177.57 178.53 1xsf h THR 89 N 0.99 1.28 -0.24 2.57 2.02 -1.14 -3.08 112.91 115.30 1xsf h THR 89 Ca 0.26 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 1xsf h THR 89 Cb -0.06 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1xsf h THR 89 CO -0.05 0.37 0.13 0.08 0.37 0.00 0.00 175.52 176.42 1xsf h ARG 90 N 0.44 0.32 0.00 6.66 0.11 -0.66 -0.68 114.38 120.57 1xsf h ARG 90 Ca 0.09 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 60.10 1xsf h ARG 90 Cb 0.58 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.59 1xsf h ARG 90 CO 0.03 0.24 -0.21 -0.07 0.10 0.00 0.00 179.97 180.06 1xsf h LEU 91 N 0.33 0.00 0.00 0.08 3.38 -1.43 -0.67 115.31 117.00 1xsf h LEU 91 Ca 0.09 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 1xsf h LEU 91 Cb 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1xsf h LEU 91 CO -0.01 0.21 -1.18 0.54 0.09 0.00 0.00 178.44 178.08 1xsf n ARG 92 N -3.63 0.55 -0.01 1.13 1.74 -0.31 -4.56 116.66 111.57 1xsf n ARG 92 Ca -0.01 0.56 0.04 0.00 -0.77 0.00 0.00 57.85 57.67 1xsf n ARG 92 Cb 0.34 -1.73 -0.13 0.00 -1.02 0.00 0.00 32.46 29.92 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 -4.46 0.65 -2.05 5.56 0.00 -0.92 -5.01 117.38 111.16 1xsf n GLN 93 Ca -0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 57.00 56.68 1xsf n GLN 93 Cb 0.63 -1.62 0.01 0.00 0.00 0.00 0.00 30.24 29.25 1xsf n GLN 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xsf n GLY 94 N 1.39 0.42 2.53 2.61 0.00 -0.26 -3.72 105.19 108.16 1xsf n GLY 94 Ca -0.11 -0.40 -0.21 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 -1.30 -0.36 0.38 1.61 7.02 -1.25 -4.82 117.44 118.71 1xsf n TRP 95 Ca -0.02 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.59 1xsf n TRP 95 Cb 0.51 -3.65 0.35 0.00 -2.42 0.00 0.00 31.31 26.10 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 1.25 6.99 0.00 -1.92 -3.07 103.07 106.31 1xsf h GLY 96 Ca -0.45 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.80 1xsf h GLY 96 CO 0.61 0.00 -0.99 0.00 0.00 0.00 0.00 176.54 176.16 1xsf h ALA 97 N 2.20 0.64 -3.18 3.60 0.00 -1.88 -3.43 119.26 117.22 1xsf h ALA 97 Ca 0.00 -0.41 -0.70 0.00 0.00 0.00 0.00 54.91 53.81 1xsf h ALA 97 Cb 0.79 0.10 -0.30 0.00 0.00 0.00 0.00 17.79 18.38 1xsf h ALA 97 CO 0.00 0.46 -0.60 -1.58 0.00 0.00 0.00 179.25 177.53 1xsf s TRP 98 N -3.11 3.29 0.00 0.00 0.51 -1.16 -5.09 118.94 113.38 1xsf s TRP 98 Ca -0.00 -1.59 0.00 0.00 -2.12 0.00 0.00 56.10 52.39 1xsf s TRP 98 Cb 0.08 -2.39 0.00 0.00 -0.81 0.00 0.00 33.47 30.35 1xsf s TRP 98 CO 0.78 -0.77 0.00 -2.30 -0.51 0.00 0.00 176.95 174.15 1xsf n PRO 99 N 4.77 1.67 0.26 4.98 -0.02 -1.26 -3.97 135.00 141.43 1xsf n PRO 99 Ca -0.12 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.55 1xsf n PRO 99 Cb 0.44 0.00 0.90 0.00 -0.02 0.00 0.00 33.50 34.82 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 0.26 -0.92 -1.45 2.07 -1.98 -0.54 116.25 113.70 1xsf h VAL 100 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1xsf h VAL 100 Cb 0.00 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 1xsf h VAL 100 CO 0.00 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.18 1xsf h ALA 102 N 1.57 0.24 -0.46 0.00 0.00 -1.21 -0.26 119.26 119.15 1xsf h ALA 102 Ca 0.45 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1xsf h ALA 102 Cb 0.57 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1xsf h ALA 102 CO -0.21 0.12 0.09 0.00 0.00 0.00 0.00 179.25 179.25 1xsf h ALA 103 N 0.64 1.31 -0.05 0.00 0.00 -1.46 0.29 119.26 119.98 1xsf h ALA 103 Ca 0.03 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1xsf h ALA 103 Cb 0.67 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1xsf h ALA 103 CO 0.04 0.49 -0.53 0.00 0.00 0.00 0.00 179.25 179.24 1xsf h ARG 104 N 0.67 0.14 0.00 0.00 2.47 -0.65 -3.28 114.38 113.74 1xsf h ARG 104 Ca 0.15 -0.09 -0.07 0.00 -1.26 0.00 0.00 59.98 58.71 1xsf h ARG 104 Cb 0.28 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 1xsf h ARG 104 CO 0.00 0.64 -1.08 0.00 0.56 0.00 0.00 179.97 180.09 1xsf h ALA 105 N 1.34 0.59 0.00 0.04 0.00 -0.22 -3.48 119.26 117.54 1xsf h ALA 105 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1xsf h ALA 105 Cb 0.98 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1xsf h ALA 105 CO 0.08 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1xsf n GLY 106 N 1.26 0.59 3.75 0.00 0.00 -0.06 -4.27 105.19 106.46 1xsf n GLY 106 Ca -0.03 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 1xsf n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsf s ALA 107 N -0.63 2.33 0.00 4.61 0.00 -0.34 -4.89 121.76 122.84 1xsf s ALA 107 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1xsf s ALA 107 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1xsf s ALA 107 CO 0.00 -1.50 0.00 0.54 0.00 0.00 0.00 175.76 174.80