#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 1.56 -1.72 2.41 0.31 -1.26 -4.94 118.33 114.70 1xsf n VAL 2 Ca 0.00 -0.61 -0.42 0.00 -0.01 0.00 0.00 64.34 63.30 1xsf n VAL 2 Cb 0.00 -1.45 -0.01 0.00 -0.91 0.00 0.00 33.84 31.47 1xsf n VAL 2 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1xsf n VAL 3 N -3.29 1.70 -1.93 2.52 3.14 -1.26 -4.91 118.33 114.30 1xsf n VAL 3 Ca -0.42 -0.43 -0.41 0.00 -2.96 0.00 0.00 64.34 60.13 1xsf n VAL 3 Cb 1.01 -1.69 -0.02 0.00 -1.06 0.00 0.00 33.84 32.09 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 -0.79 2.39 -0.15 1.55 0.11 -1.26 -4.99 120.40 117.26 1xsf s VAL 4 Ca 0.58 0.36 -0.06 0.00 -2.93 0.00 0.00 61.98 59.93 1xsf s VAL 4 Cb -0.55 -3.23 -0.04 0.00 -1.53 0.00 0.00 36.38 31.03 1xsf s VAL 4 CO 0.59 0.07 0.05 0.28 -3.33 0.00 0.00 175.10 172.76 1xsf s THR 5 N -0.54 4.70 0.75 5.04 -1.32 -1.26 -5.10 115.64 117.91 1xsf s THR 5 Ca 0.56 -0.08 -0.03 0.00 -1.21 0.00 0.00 61.69 60.93 1xsf s THR 5 Cb -0.44 -3.07 0.13 0.00 -1.51 0.00 0.00 72.50 67.61 1xsf s THR 5 CO 0.52 0.52 1.03 -2.16 -2.21 0.00 0.00 174.62 172.32 1xsf s PRO 6 N -0.16 1.61 0.37 7.08 0.04 -1.26 -5.12 135.00 137.56 1xsf s PRO 6 Ca 0.07 -0.92 0.08 0.00 0.04 0.00 0.00 61.00 60.27 1xsf s PRO 6 Cb -0.12 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 1xsf s PRO 6 CO 0.01 -1.54 0.12 0.00 0.04 0.00 0.00 177.00 175.64 1xsf s ALA 7 N -3.24 3.45 0.00 8.56 0.00 -1.26 -4.44 121.76 124.83 1xsf s ALA 7 Ca 0.66 -1.99 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1xsf s ALA 7 Cb -0.06 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.59 1xsf s ALA 7 CO 0.45 -0.04 0.00 1.58 0.00 0.00 0.00 175.76 177.75 1xsf n HIS 8 N -1.13 0.00 -1.88 0.00 -0.00 -1.26 -4.96 115.22 105.99 1xsf n HIS 8 Ca -0.03 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.28 1xsf n HIS 8 Cb 0.63 -0.78 -0.01 0.00 -0.00 0.00 0.00 29.99 29.83 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 -0.51 4.17 -0.54 1.57 -1.05 -1.26 -4.95 118.70 116.13 1xsf s GLU 9 Ca 0.00 2.48 0.07 0.00 -0.15 0.00 0.00 54.97 57.37 1xsf s GLU 9 Cb 0.00 -3.01 0.31 0.00 -0.44 0.00 0.00 34.13 30.99 1xsf s GLU 9 CO 0.00 -0.47 0.81 0.00 0.95 0.00 0.00 175.26 176.55 1xsf n ALA 10 N 0.94 3.82 -0.06 -0.84 0.00 -1.26 -4.84 120.51 118.27 1xsf n ALA 10 Ca 0.02 -4.36 -0.13 0.00 0.00 0.00 0.00 53.44 48.97 1xsf n ALA 10 Cb 0.40 -0.82 -0.12 0.00 0.00 0.00 0.00 19.45 18.91 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 2.59 1.65 -3.31 0.00 2.07 -2.02 -3.48 116.25 113.74 1xsf h VAL 11 Ca 0.14 -2.11 -0.11 0.00 0.82 0.00 0.00 66.70 65.43 1xsf h VAL 11 Cb 0.67 3.05 0.01 0.00 -1.52 0.00 0.00 31.29 33.49 1xsf h VAL 11 CO 0.73 0.54 -0.36 0.52 0.02 0.00 0.00 177.57 179.02 1xsf n VAL 12 N -4.66 -1.10 -3.78 2.57 0.31 -1.26 -4.96 118.33 105.45 1xsf n VAL 12 Ca -0.09 0.03 -0.14 0.00 -0.01 0.00 0.00 64.34 64.13 1xsf n VAL 12 Cb 0.43 -1.03 -0.15 0.00 -0.91 0.00 0.00 33.84 32.18 1xsf n VAL 12 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1xsf s ARG 13 N -0.70 0.05 0.25 5.55 1.81 -1.26 -5.15 118.95 119.50 1xsf s ARG 13 Ca 0.11 0.24 0.10 0.00 -1.72 0.00 0.00 55.73 54.46 1xsf s ARG 13 Cb -0.01 -0.14 -0.04 0.00 -0.45 0.00 0.00 34.95 34.31 1xsf s ARG 13 CO 0.25 -0.12 -0.08 0.08 -0.68 0.00 0.00 175.30 174.74 1xsf s VAL 14 N 0.81 3.12 -0.47 3.52 1.01 -1.26 -5.07 120.40 122.06 1xsf s VAL 14 Ca -0.06 -1.99 0.06 0.00 0.00 0.00 0.00 61.98 59.99 1xsf s VAL 14 Cb -0.09 -2.63 0.29 0.00 0.00 0.00 0.00 36.38 33.95 1xsf s VAL 14 CO -0.03 -0.32 1.01 0.61 0.00 0.00 0.00 175.10 176.37 1xsf n GLY 15 N -0.59 0.43 0.19 4.51 0.00 -1.26 -4.99 105.19 103.48 1xsf n GLY 15 Ca -0.07 0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 2.96 1.29 -6.44 2.61 2.02 -2.08 -3.48 112.91 109.80 1xsf h THR 16 Ca -0.12 -1.23 -0.42 0.00 0.77 0.00 0.00 66.41 65.41 1xsf h THR 16 Cb 1.07 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 1xsf h THR 16 CO 0.22 0.39 -1.02 0.29 0.37 0.00 0.00 175.52 175.78 1xsf n LYS 17 N -4.41 -1.46 -1.09 6.66 4.76 -1.26 -4.90 118.16 116.47 1xsf n LYS 17 Ca -0.03 0.81 -0.29 0.00 -2.87 0.00 0.00 58.31 55.93 1xsf n LYS 17 Cb 0.37 -1.90 0.18 0.00 -1.84 0.00 0.00 35.03 31.84 1xsf n LYS 17 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1xsf s PRO 18 N -4.00 0.40 0.00 1.97 0.02 -1.26 -4.99 135.00 127.14 1xsf s PRO 18 Ca 0.09 0.63 0.00 0.00 0.02 0.00 0.00 61.00 61.74 1xsf s PRO 18 Cb -0.01 -1.72 0.00 0.00 0.02 0.00 0.00 34.50 32.79 1xsf s PRO 18 CO 0.79 -2.78 0.00 0.41 -0.33 0.00 0.00 177.00 175.09 1xsf n GLY 19 N -0.83 -0.05 0.24 0.52 0.00 -1.26 -4.86 105.19 98.95 1xsf n GLY 19 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 1.25 -4.23 2.61 2.02 -2.02 -3.42 112.91 109.13 1xsf h THR 20 Ca 0.00 -1.18 -0.69 0.00 0.77 0.00 0.00 66.41 65.30 1xsf h THR 20 Cb 0.00 1.31 -0.26 0.00 -1.74 0.00 0.00 68.15 67.47 1xsf h THR 20 CO 0.00 0.37 -0.81 -1.83 0.37 0.00 0.00 175.52 173.62 1xsf s GLU 21 N -4.55 2.34 -0.03 6.66 -1.05 -1.26 -5.10 118.70 115.71 1xsf s GLU 21 Ca -0.07 -0.79 -0.30 0.00 -0.15 0.00 0.00 54.97 53.66 1xsf s GLU 21 Cb 0.14 -2.25 -0.02 0.00 -0.44 0.00 0.00 34.13 31.56 1xsf s GLU 21 CO 0.78 0.60 0.99 0.08 0.95 0.00 0.00 175.26 178.66 1xsf s VAL 22 N -0.70 4.84 0.16 1.83 1.01 -1.26 -4.72 120.40 121.56 1xsf s VAL 22 Ca 0.11 2.05 -0.34 0.00 0.00 0.00 0.00 61.98 63.81 1xsf s VAL 22 Cb -0.10 -4.32 -0.14 0.00 0.00 0.00 0.00 36.38 31.82 1xsf s VAL 22 CO 0.00 0.11 1.53 -2.65 0.00 0.00 0.00 175.10 174.09 1xsf n PRO 23 N 4.26 2.01 -1.68 2.72 -0.02 -1.26 -4.89 135.00 136.15 1xsf n PRO 23 Ca 0.07 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.86 1xsf n PRO 23 Cb 0.50 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 3.20 1.87 -3.67 0.52 -0.04 -1.26 -5.00 135.00 130.61 1xsf n PRO 24 Ca 0.17 0.66 -0.33 0.00 -0.04 0.00 0.00 63.50 63.96 1xsf n PRO 24 Cb 0.28 -2.28 -0.05 0.00 -0.04 0.00 0.00 33.50 31.41 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 -1.17 5.18 0.57 0.52 1.01 -1.26 -4.99 120.40 120.26 1xsf s VAL 25 Ca 0.59 0.12 0.29 0.00 0.00 0.00 0.00 61.98 62.98 1xsf s VAL 25 Cb -0.55 -3.62 0.35 0.00 0.00 0.00 0.00 36.38 32.56 1xsf s VAL 25 CO 0.59 0.14 2.24 0.40 0.00 0.00 0.00 175.10 178.47 1xsf h ILE 26 N 2.36 0.55 -0.02 2.22 5.03 -2.02 0.22 117.51 125.84 1xsf h ILE 26 Ca -0.47 -0.05 0.00 0.00 -0.12 0.00 0.00 64.86 64.22 1xsf h ILE 26 Cb 1.17 1.03 0.00 0.00 -3.03 0.00 0.00 36.82 36.00 1xsf h ILE 26 CO 0.71 0.01 -0.16 0.47 -0.68 0.00 0.00 178.15 178.49 1xsf n ASP 27 N -3.86 2.63 0.07 1.72 8.00 -1.26 -4.21 116.55 119.64 1xsf n ASP 27 Ca -0.03 -1.82 0.06 0.00 0.71 0.00 0.00 54.79 53.72 1xsf n ASP 27 Cb 0.10 0.16 0.31 0.00 -0.02 0.00 0.00 41.12 41.67 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 1.37 -0.82 0.15 0.44 0.00 0.78 -0.78 105.19 106.33 1xsf n GLY 28 Ca 0.12 0.07 -0.18 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 0.61 -0.34 1.61 0.02 -1.73 -1.20 113.55 112.51 1xsf h SER 29 Ca 0.00 -0.77 -0.14 0.00 -0.84 0.00 0.00 61.79 60.04 1xsf h SER 29 Cb 0.10 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1xsf h SER 29 CO 0.00 1.31 -0.31 0.40 -1.14 0.00 0.00 176.83 177.09 1xsf h ILE 30 N -0.02 1.27 -0.37 3.27 1.08 -1.15 0.21 117.51 121.80 1xsf h ILE 30 Ca -0.09 -1.47 -0.11 0.00 -0.39 0.00 0.00 64.86 62.80 1xsf h ILE 30 Cb 1.43 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 36.46 1xsf h ILE 30 CO 0.14 0.49 -0.21 -0.50 -0.69 0.00 0.00 178.15 177.38 1xsf h TRP 31 N 0.73 0.81 -0.04 1.37 -0.00 -1.25 0.30 115.95 117.87 1xsf h TRP 31 Ca 0.08 -0.18 -0.24 0.00 -0.00 0.00 0.00 58.89 58.55 1xsf h TRP 31 Cb 0.87 -0.20 0.01 0.00 -0.00 0.00 0.00 29.16 29.85 1xsf h TRP 31 CO 0.05 0.87 -0.95 0.22 -0.00 0.00 0.00 178.44 178.63 1xsf h ASP 32 N 0.64 0.83 0.04 -3.49 3.58 -1.02 -1.49 116.42 115.50 1xsf h ASP 32 Ca 0.09 -0.63 -0.15 0.00 0.42 0.00 0.00 57.03 56.77 1xsf h ASP 32 Cb 0.70 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 1xsf h ASP 32 CO 0.05 1.42 -0.52 0.00 -2.88 0.00 0.00 179.24 177.32 1xsf h ALA 33 N 0.53 0.75 -0.38 -0.78 0.00 -0.70 0.07 119.26 118.75 1xsf h ALA 33 Ca -0.10 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1xsf h ALA 33 Cb 1.59 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1xsf h ALA 33 CO 0.18 0.68 0.18 0.82 0.00 0.00 0.00 179.25 181.12 1xsf h ILE 34 N 0.41 1.17 -0.89 0.00 2.04 -0.43 0.47 117.51 120.27 1xsf h ILE 34 Ca 0.01 -0.47 0.06 0.00 1.00 0.00 0.00 64.86 65.46 1xsf h ILE 34 Cb 1.04 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.85 1xsf h ILE 34 CO 0.10 0.18 0.58 0.00 0.00 0.00 0.00 178.15 179.01 1xsf h ALA 35 N 1.04 1.51 0.00 1.87 0.00 -1.04 0.16 119.26 122.80 1xsf h ALA 35 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1xsf h ALA 35 Cb 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1xsf h ALA 35 CO -0.02 0.36 -0.14 0.78 0.00 0.00 0.00 179.25 180.24 1xsf h GLY 36 N 1.03 0.00 0.00 0.00 0.00 -0.40 0.34 103.07 104.04 1xsf h GLY 36 Ca 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.68 1xsf h GLY 36 CO -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 176.54 176.06 1xsf h GLU 38 N -1.00 0.02 -0.00 0.00 4.57 -0.87 -3.34 114.58 113.95 1xsf h GLU 38 Ca -0.05 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1xsf h GLU 38 Cb 0.53 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1xsf h GLU 38 CO -0.03 0.65 -0.50 0.00 -1.18 0.00 0.00 179.01 177.95 1xsf n ALA 39 N -2.52 3.47 -0.99 2.92 0.00 -0.50 -4.95 120.51 117.94 1xsf n ALA 39 Ca -0.13 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1xsf n ALA 39 Cb 1.03 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 1.22 0.80 0.66 0.00 0.00 -0.71 -3.47 105.19 103.68 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 -2.40 0.76 2.59 -0.02 0.00 0.11 -4.75 105.19 101.47 1xsf n GLY 41 Ca 0.00 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.32 3.07 0.00 1.61 3.04 -1.23 -4.93 114.94 114.18 1xsf s ASN 42 Ca 0.00 -1.21 0.29 0.00 0.04 0.00 0.00 52.86 51.98 1xsf s ASN 42 Cb 0.00 -0.15 1.31 0.00 -1.54 0.00 0.00 41.25 40.87 1xsf s ASN 42 CO 0.00 -0.42 1.91 0.79 -3.04 0.00 0.00 177.10 176.34 1xsf n TRP 43 N 5.20 0.00 -0.26 0.43 7.02 -1.26 -0.82 117.44 127.75 1xsf n TRP 43 Ca -0.04 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.50 1xsf n TRP 43 Cb 0.43 -0.18 0.18 0.00 -2.42 0.00 0.00 31.31 29.33 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 -0.96 2.27 -1.78 6.99 0.00 -1.26 -3.69 120.51 122.08 1xsf n ALA 44 Ca 0.15 -1.25 -0.37 0.00 0.00 0.00 0.00 53.44 51.97 1xsf n ALA 44 Cb 0.26 -0.52 -0.05 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.14 3.78 -0.30 0.00 2.07 -1.12 -4.84 121.20 119.66 1xsf s ILE 45 Ca 0.28 1.46 -0.02 0.00 -1.41 0.00 0.00 60.65 60.96 1xsf s ILE 45 Cb 0.16 -3.80 0.12 0.00 0.13 0.00 0.00 42.46 39.06 1xsf s ILE 45 CO 0.18 0.10 0.20 0.21 -1.91 0.00 0.00 174.94 173.72 1xsf s ASN 46 N -1.45 2.80 0.50 4.50 3.84 -1.26 -0.10 114.94 123.76 1xsf s ASN 46 Ca 0.54 -1.29 0.29 0.00 0.21 0.00 0.00 52.86 52.60 1xsf s ASN 46 Cb -0.23 -0.07 1.19 0.00 -0.55 0.00 0.00 41.25 41.59 1xsf s ASN 46 CO 0.29 -0.40 1.93 0.71 -2.79 0.00 0.00 177.10 176.84 1xsf h THR 47 N 6.09 0.31 0.00 -5.21 1.35 -1.95 -3.46 112.91 110.04 1xsf h THR 47 Ca -0.13 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 1xsf h THR 47 Cb 1.02 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1xsf h THR 47 CO 0.37 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 1xsf n GLY 48 N -0.00 0.72 0.22 5.82 0.00 -1.26 -4.95 105.19 105.74 1xsf n GLY 48 Ca 0.00 -0.38 0.13 0.00 0.00 0.00 0.00 46.02 45.77 1xsf n GLY 48 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xsf n ASN 49 N 0.69 1.03 0.00 1.61 4.13 -1.26 -4.88 115.26 116.58 1xsf n ASN 49 Ca 0.00 -0.85 0.00 0.00 1.68 0.00 0.00 54.58 55.41 1xsf n ASN 49 Cb 0.00 0.21 0.00 0.00 -1.54 0.00 0.00 39.78 38.45 1xsf n ASN 49 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xsf n GLY 50 N 1.38 0.76 3.61 7.41 0.00 -1.26 -5.03 105.19 112.05 1xsf n GLY 50 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.43 2.82 0.42 1.61 2.02 -1.26 -0.64 117.35 119.89 1xsf s TYR 51 Ca 0.00 -0.11 0.07 0.00 -0.37 0.00 0.00 57.07 56.66 1xsf s TYR 51 Cb 0.00 -1.48 -0.05 0.00 -0.40 0.00 0.00 41.96 40.02 1xsf s TYR 51 CO 0.00 0.43 0.16 0.71 -1.57 0.00 0.00 175.55 175.29 1xsf s TYR 52 N -1.21 2.56 1.23 2.71 1.51 -0.64 -4.28 117.35 119.23 1xsf s TYR 52 Ca 0.22 -0.61 -0.16 0.00 -1.01 0.00 0.00 57.07 55.51 1xsf s TYR 52 Cb -0.11 -1.93 0.28 0.00 -0.11 0.00 0.00 41.96 40.08 1xsf s TYR 52 CO 0.14 0.20 0.75 0.41 -1.11 0.00 0.00 175.55 175.94 1xsf n GLY 53 N -1.22 -2.54 6.86 0.71 0.00 0.85 -2.14 105.19 107.71 1xsf n GLY 53 Ca -0.02 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 1.47 2.01 0.11 -0.02 0.00 0.00 -3.25 105.19 105.51 1xsf n GLY 54 Ca 0.04 -0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.65 1.61 0.31 -1.26 -3.73 118.33 111.61 1xsf n VAL 55 Ca 0.00 -0.06 -0.21 0.00 -0.01 0.00 0.00 64.34 64.07 1xsf n VAL 55 Cb 0.00 -0.19 0.04 0.00 -0.91 0.00 0.00 33.84 32.78 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 -0.88 -5.00 -4.49 5.55 -0.06 -0.91 -4.89 117.38 106.71 1xsf n GLN 56 Ca 0.18 0.65 -0.24 0.00 -2.00 0.00 0.00 57.00 55.59 1xsf n GLN 56 Cb 0.24 -5.26 -0.10 0.00 -4.06 0.00 0.00 30.24 21.05 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 -3.62 2.24 0.79 3.69 -0.71 -1.22 -4.69 117.98 114.46 1xsf s PHE 57 Ca 0.02 -0.50 -0.11 0.00 -1.04 0.00 0.00 56.93 55.30 1xsf s PHE 57 Cb -0.01 -1.19 0.06 0.00 -1.21 0.00 0.00 43.02 40.68 1xsf s PHE 57 CO 0.80 0.55 1.09 0.16 -1.34 0.00 0.00 175.22 176.47 1xsf s ASP 58 N -3.53 4.48 0.25 1.98 -4.77 -1.26 -1.62 116.67 112.19 1xsf s ASP 58 Ca 0.31 1.57 -0.04 0.00 -3.30 0.00 0.00 52.55 51.09 1xsf s ASP 58 Cb 0.01 -2.32 0.41 0.00 -1.09 0.00 0.00 42.92 39.93 1xsf s ASP 58 CO 0.15 -2.02 1.81 -0.61 0.70 0.00 0.00 175.17 175.20 1xsf h GLN 59 N -1.12 0.79 0.03 2.11 5.75 -1.25 -1.62 115.11 119.79 1xsf h GLN 59 Ca -0.46 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 57.99 1xsf h GLN 59 Cb 1.25 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.62 1xsf h GLN 59 CO 0.55 0.52 -0.01 0.78 -2.65 0.00 0.00 178.83 178.02 1xsf h GLY 60 N 0.81 -0.04 1.01 2.39 0.00 -1.92 0.35 103.07 105.68 1xsf h GLY 60 Ca 0.41 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 1xsf h GLY 60 CO -0.25 -0.01 0.42 -0.84 0.00 0.00 0.00 176.54 175.86 1xsf h THR 61 N -0.43 1.23 -0.17 4.70 2.02 -1.93 0.59 112.91 118.92 1xsf h THR 61 Ca -0.00 -0.59 0.02 0.00 0.77 0.00 0.00 66.41 66.61 1xsf h THR 61 Cb 0.40 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1xsf h THR 61 CO 0.01 0.26 0.04 -0.25 0.37 0.00 0.00 175.52 175.95 1xsf h TRP 62 N 1.07 0.07 -0.38 3.16 2.91 -1.15 -1.86 115.95 119.78 1xsf h TRP 62 Ca 0.27 0.01 -0.10 0.00 1.13 0.00 0.00 58.89 60.20 1xsf h TRP 62 Cb 0.04 -0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.67 1xsf h TRP 62 CO 0.00 0.03 -0.18 1.49 -1.03 0.00 0.00 178.44 178.75 1xsf h GLU 63 N 0.11 0.71 -0.67 2.65 4.81 0.25 0.38 114.58 122.82 1xsf h GLU 63 Ca 0.08 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.00 1xsf h GLU 63 Cb 0.06 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1xsf h GLU 63 CO -0.10 0.85 0.25 0.00 -0.73 0.00 0.00 179.01 179.28 1xsf h ALA 64 N 1.17 0.87 -0.00 2.92 0.00 0.53 -0.54 119.26 124.21 1xsf h ALA 64 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xsf h ALA 64 Cb 0.66 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xsf h ALA 64 CO 0.05 0.51 -0.05 0.09 0.00 0.00 0.00 179.25 179.85 1xsf n ASN 65 N -4.37 0.07 -0.50 0.00 5.03 -0.73 -4.92 115.26 109.83 1xsf n ASN 65 Ca 0.05 0.23 0.00 0.00 0.87 0.00 0.00 54.58 55.73 1xsf n ASN 65 Cb 0.19 -0.37 0.00 0.00 -1.02 0.00 0.00 39.78 38.58 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 0.54 0.18 7.41 0.00 -0.21 -4.96 105.19 109.59 1xsf n GLY 66 Ca 0.09 -0.27 0.07 0.00 0.00 0.00 0.00 46.02 45.91 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 1.82 -0.02 0.00 -0.43 -3.32 103.07 101.12 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 0.07 1.41 0.00 0.00 0.00 176.54 178.02 1xsf h LEU 68 N 0.00 0.00 -0.99 3.11 4.07 -1.77 0.43 115.31 120.16 1xsf h LEU 68 Ca -0.00 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.86 1xsf h LEU 68 Cb 1.19 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 1xsf h LEU 68 CO 0.04 0.00 -0.49 0.08 -1.08 0.00 0.00 178.44 176.99 1xsf h ARG 69 N 0.00 0.00 0.09 1.13 0.11 -1.97 -2.29 114.38 111.45 1xsf h ARG 69 Ca 0.03 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.86 1xsf h ARG 69 Cb 0.17 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.25 1xsf h ARG 69 CO -0.00 0.49 -1.16 1.88 0.10 0.00 0.00 179.97 181.28 1xsf h TYR 70 N 0.00 0.43 0.00 4.08 -1.99 -0.51 -3.47 116.97 115.50 1xsf h TYR 70 Ca -0.00 -0.30 0.00 0.00 2.00 0.00 0.00 58.73 60.43 1xsf h TYR 70 Cb 0.90 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.61 1xsf h TYR 70 CO 0.00 1.21 0.00 0.00 -0.00 0.00 0.00 178.16 179.37 1xsf n ALA 71 N -2.51 0.00 0.00 3.88 0.00 0.31 -4.56 120.51 117.63 1xsf n ALA 71 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1xsf n ALA 71 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.43 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 -0.02 0.00 -3.70 0.00 -0.02 -1.06 -3.35 135.00 126.84 1xsf n PRO 72 Ca 0.00 0.10 -0.14 0.00 -2.02 0.00 0.00 63.50 61.44 1xsf n PRO 72 Cb 0.00 -1.51 -0.09 0.00 -0.02 0.00 0.00 33.50 31.88 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 -2.13 0.62 0.55 -0.52 1.70 -1.26 -4.77 118.95 113.14 1xsf s ARG 73 Ca 0.00 0.49 0.22 0.00 -0.47 0.00 0.00 55.73 55.97 1xsf s ARG 73 Cb 0.00 0.30 1.50 0.00 -0.57 0.00 0.00 34.95 36.17 1xsf s ARG 73 CO 0.00 -0.11 2.19 0.00 -1.08 0.00 0.00 175.30 176.30 1xsf h ALA 74 N 4.92 1.78 -0.09 7.88 0.00 -1.87 -0.87 119.26 131.01 1xsf h ALA 74 Ca -0.28 -0.01 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 0.25 0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.11 1xsf n ASP 75 N -4.23 1.14 -0.09 0.00 5.75 -1.24 -2.80 116.55 115.07 1xsf n ASP 75 Ca -0.03 -1.55 -0.11 0.00 -0.01 0.00 0.00 54.79 53.09 1xsf n ASP 75 Cb 0.09 -0.05 -0.12 0.00 -1.03 0.00 0.00 41.12 40.01 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 -0.05 1.23 -4.87 -2.12 7.94 -0.38 -4.63 117.00 114.12 1xsf n LEU 76 Ca 0.17 -0.05 -0.31 0.00 -1.11 0.00 0.00 56.01 54.71 1xsf n LEU 76 Cb 0.26 -0.07 0.02 0.00 0.53 0.00 0.00 43.42 44.17 1xsf n LEU 76 CO 0.13 0.59 0.73 0.00 -1.11 0.00 0.00 177.39 177.74 1xsf s ALA 77 N -2.41 3.02 0.19 1.96 0.00 -0.90 -4.96 121.76 118.65 1xsf s ALA 77 Ca -0.17 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 51.65 1xsf s ALA 77 Cb 0.06 -3.06 0.03 0.00 0.00 0.00 0.00 23.12 20.14 1xsf s ALA 77 CO 0.60 -0.85 0.25 0.25 0.00 0.00 0.00 175.76 176.00 1xsf n THR 78 N -2.85 0.00 -0.05 0.00 -2.24 -1.26 -4.86 114.28 103.02 1xsf n THR 78 Ca 0.06 -0.65 -0.08 0.00 -2.27 0.00 0.00 64.05 61.12 1xsf n THR 78 Cb 0.55 -0.78 -0.01 0.00 -2.10 0.00 0.00 70.33 67.99 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 -0.16 -0.84 -0.78 3.08 -1.96 -0.32 114.38 113.39 1xsf h ARG 79 Ca -0.09 0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.98 1xsf h ARG 79 Cb 0.41 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 1xsf h ARG 79 CO 0.13 -0.11 0.56 1.05 -1.07 0.00 0.00 179.97 180.53 1xsf h GLU 80 N -0.17 1.09 0.11 0.04 9.09 -1.95 0.37 114.58 123.17 1xsf h GLU 80 Ca 0.14 -0.07 -0.01 0.00 0.05 0.00 0.00 59.36 59.48 1xsf h GLU 80 Cb 0.38 -0.25 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 1xsf h GLU 80 CO -0.35 0.72 -0.05 0.93 0.05 0.00 0.00 179.01 180.31 1xsf h GLU 81 N 1.13 -0.14 -0.67 1.06 3.07 -1.77 -1.89 114.58 115.36 1xsf h GLU 81 Ca 0.32 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.18 1xsf h GLU 81 Cb -0.10 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.81 1xsf h GLU 81 CO -0.08 0.00 0.39 1.96 -1.40 0.00 0.00 179.01 179.88 1xsf h GLN 82 N -0.26 0.91 -0.47 2.33 4.20 -0.47 -0.41 115.11 120.94 1xsf h GLN 82 Ca -0.02 -0.08 0.02 0.00 0.06 0.00 0.00 58.65 58.63 1xsf h GLN 82 Cb 0.21 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 1xsf h GLN 82 CO 0.02 0.65 0.29 0.82 -0.67 0.00 0.00 178.83 179.95 1xsf h ILE 83 N 0.92 1.08 -0.24 2.54 2.04 -0.19 0.64 117.51 124.30 1xsf h ILE 83 Ca 0.24 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 1xsf h ILE 83 Cb -0.01 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1xsf h ILE 83 CO -0.04 0.11 -0.01 0.00 0.00 0.00 0.00 178.15 178.21 1xsf h ALA 84 N 1.20 0.33 -0.06 1.87 0.00 -0.36 0.20 119.26 122.43 1xsf h ALA 84 Ca 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1xsf h ALA 84 Cb -0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1xsf h ALA 84 CO -0.07 0.07 0.00 0.28 0.00 0.00 0.00 179.25 179.53 1xsf h VAL 85 N 0.20 1.24 -0.07 0.00 2.07 -1.00 -2.61 116.25 116.09 1xsf h VAL 85 Ca 0.07 -0.76 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 1xsf h VAL 85 Cb 0.42 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1xsf h VAL 85 CO 0.01 0.21 -0.32 0.00 0.02 0.00 0.00 177.57 177.50 1xsf h ALA 86 N 0.73 1.34 -0.06 1.67 0.00 -0.87 -2.77 119.26 119.29 1xsf h ALA 86 Ca 0.02 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1xsf h ALA 86 Cb 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xsf h ALA 86 CO 0.00 0.47 -0.47 1.05 0.00 0.00 0.00 179.25 180.30 1xsf h GLU 87 N 0.12 0.14 -0.85 0.00 -0.00 -0.48 0.15 114.58 113.67 1xsf h GLU 87 Ca 0.02 -0.07 -0.01 0.00 -0.00 0.00 0.00 59.36 59.29 1xsf h GLU 87 Cb 0.63 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.34 1xsf h GLU 87 CO 0.05 0.59 0.48 0.28 -0.00 0.00 0.00 179.01 180.40 1xsf h VAL 88 N 0.12 1.25 -0.47 -1.06 2.07 -1.17 -1.17 116.25 115.81 1xsf h VAL 88 Ca 0.01 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 1xsf h VAL 88 Cb 0.87 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1xsf h VAL 88 CO 0.07 0.27 0.10 0.74 0.02 0.00 0.00 177.57 178.77 1xsf h THR 89 N 1.18 1.24 -0.11 2.57 2.02 -1.15 -2.57 112.91 116.08 1xsf h THR 89 Ca 0.30 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 1xsf h THR 89 Cb 0.01 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1xsf h THR 89 CO -0.05 0.31 -0.00 0.08 0.37 0.00 0.00 175.52 176.22 1xsf h ARG 90 N 0.64 0.16 -0.27 6.66 -0.00 -0.32 0.14 114.38 121.39 1xsf h ARG 90 Ca 0.15 -0.02 -0.05 0.00 -0.00 0.00 0.00 59.98 60.06 1xsf h ARG 90 Cb 0.35 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.97 30.27 1xsf h ARG 90 CO 0.00 0.18 -0.05 -0.07 -0.00 0.00 0.00 179.97 180.04 1xsf h LEU 91 N 0.16 0.39 0.00 0.08 3.38 -0.81 0.28 115.31 118.80 1xsf h LEU 91 Ca 0.04 -0.08 -0.23 0.00 0.09 0.00 0.00 57.88 57.70 1xsf h LEU 91 Cb 0.12 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1xsf h LEU 91 CO 0.00 0.49 -1.34 0.54 0.09 0.00 0.00 178.44 178.22 1xsf n ARG 92 N -4.28 0.55 -0.00 1.13 1.74 -0.43 -4.55 116.66 110.82 1xsf n ARG 92 Ca 0.01 0.52 0.07 0.00 -0.77 0.00 0.00 57.85 57.67 1xsf n ARG 92 Cb 0.25 -1.70 -0.10 0.00 -1.02 0.00 0.00 32.46 29.90 1xsf n ARG 92 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1xsf n GLN 93 N -4.43 1.45 0.00 5.56 0.00 -0.09 -5.06 117.38 114.81 1xsf n GLN 93 Ca -0.32 -0.06 0.00 0.00 -0.00 0.00 0.00 57.00 56.62 1xsf n GLN 93 Cb 0.65 -1.25 0.00 0.00 0.00 0.00 0.00 30.24 29.64 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 1.48 1.45 0.93 1.69 0.00 1.00 -3.08 105.19 108.65 1xsf n GLY 94 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 0.00 0.22 1.61 7.02 -1.26 -4.07 117.44 120.96 1xsf n TRP 95 Ca 0.00 -0.22 0.12 0.00 -1.02 0.00 0.00 57.50 56.38 1xsf n TRP 95 Cb 0.00 -0.07 0.29 0.00 -2.42 0.00 0.00 31.31 29.11 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 0.41 0.00 0.97 6.99 0.00 -1.94 -3.12 103.07 106.37 1xsf h GLY 96 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.10 1xsf h GLY 96 CO 0.03 0.00 -1.31 0.00 0.00 0.00 0.00 176.54 175.26 1xsf n ALA 97 N -2.12 2.11 -2.85 3.60 0.00 -1.26 -4.64 120.51 115.34 1xsf n ALA 97 Ca 0.03 -0.46 -0.44 0.00 0.00 0.00 0.00 53.44 52.57 1xsf n ALA 97 Cb 0.49 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 18.89 1xsf n ALA 97 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1xsf s TRP 98 N -3.06 3.12 0.00 0.00 0.51 -1.18 -5.03 118.94 113.30 1xsf s TRP 98 Ca -0.02 -0.75 0.00 0.00 -2.12 0.00 0.00 56.10 53.21 1xsf s TRP 98 Cb 0.09 -3.46 0.00 0.00 -0.81 0.00 0.00 33.47 29.29 1xsf s TRP 98 CO 0.81 -0.97 0.00 -2.30 -0.51 0.00 0.00 176.95 173.98 1xsf n PRO 99 N 5.80 0.00 0.13 4.98 -0.02 -1.26 -3.86 135.00 140.77 1xsf n PRO 99 Ca -0.09 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.39 1xsf n PRO 99 Cb 0.44 0.00 0.31 0.00 -0.02 0.00 0.00 33.50 34.23 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 1.27 -0.13 -1.45 2.07 -1.96 -3.09 116.25 112.96 1xsf h VAL 100 Ca 0.00 -1.27 -0.11 0.00 0.82 0.00 0.00 66.70 66.14 1xsf h VAL 100 Cb 0.00 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1xsf h VAL 100 CO 0.00 0.38 -0.39 0.00 0.02 0.00 0.00 177.57 177.58 1xsf h ALA 102 N 1.36 0.31 -0.28 0.00 0.00 -1.64 0.30 119.26 119.31 1xsf h ALA 102 Ca 0.02 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1xsf h ALA 102 Cb 0.80 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1xsf h ALA 102 CO 0.06 0.25 -0.14 0.00 0.00 0.00 0.00 179.25 179.42 1xsf h ALA 103 N 0.66 1.25 0.00 0.00 0.00 -1.52 0.25 119.26 119.89 1xsf h ALA 103 Ca 0.04 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1xsf h ALA 103 Cb 0.74 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1xsf h ALA 103 CO 0.05 0.49 -0.44 0.00 0.00 0.00 0.00 179.25 179.35 1xsf h ARG 104 N 0.44 0.00 0.00 0.00 2.47 -0.73 -3.16 114.38 113.40 1xsf h ARG 104 Ca 0.08 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.78 1xsf h ARG 104 Cb 0.50 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.82 1xsf h ARG 104 CO 0.03 0.44 -1.00 0.00 0.56 0.00 0.00 179.97 180.00 1xsf h ALA 105 N 1.56 0.55 0.00 0.04 0.00 0.20 -3.49 119.26 118.12 1xsf h ALA 105 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xsf h ALA 105 Cb 0.85 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1xsf h ALA 105 CO 0.06 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.85 1xsf n GLY 106 N 1.21 0.66 3.75 0.00 0.00 0.67 -4.36 105.19 107.12 1xsf n GLY 106 Ca -0.01 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.96 2.57 0.00 4.61 0.00 -0.08 -4.89 121.76 123.01 1xsf s ALA 107 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1xsf s ALA 107 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1xsf s ALA 107 CO 0.00 -1.28 0.21 0.54 0.00 0.00 0.00 175.76 175.23