#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 1.33 -3.45 3.53 3.04 -2.13 -3.44 116.25 115.14 1xsf h VAL 2 Ca 0.00 -2.74 -0.52 0.00 -1.01 0.00 0.00 66.70 62.43 1xsf h VAL 2 Cb 0.00 2.56 0.02 0.00 -2.01 0.00 0.00 31.29 31.86 1xsf h VAL 2 CO 0.00 0.73 0.56 0.54 -1.01 0.00 0.00 177.57 178.39 1xsf s VAL 3 N -2.95 3.60 0.15 1.51 0.11 -1.26 -5.01 120.40 116.54 1xsf s VAL 3 Ca 0.02 1.32 -0.27 0.00 -2.93 0.00 0.00 61.98 60.12 1xsf s VAL 3 Cb 0.09 -3.84 -0.07 0.00 -1.53 0.00 0.00 36.38 31.03 1xsf s VAL 3 CO 0.78 0.20 0.84 -0.69 -3.33 0.00 0.00 175.10 172.90 1xsf s VAL 4 N 0.06 4.41 -0.42 2.04 1.01 -1.26 -5.02 120.40 121.22 1xsf s VAL 4 Ca 0.54 1.84 -0.17 0.00 0.00 0.00 0.00 61.98 64.18 1xsf s VAL 4 Cb -0.32 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 31.87 1xsf s VAL 4 CO 0.36 0.45 0.44 0.42 0.00 0.00 0.00 175.10 176.76 1xsf s THR 5 N -0.71 5.09 0.81 3.92 -4.23 -1.26 -5.06 115.64 114.20 1xsf s THR 5 Ca 0.39 -0.33 -0.11 0.00 -1.18 0.00 0.00 61.69 60.47 1xsf s THR 5 Cb -0.23 -4.03 0.10 0.00 1.34 0.00 0.00 72.50 69.68 1xsf s THR 5 CO 0.27 -0.41 1.16 -2.84 -0.54 0.00 0.00 174.62 172.27 1xsf s PRO 6 N 2.14 1.74 0.00 3.99 0.02 -1.26 -5.11 135.00 136.52 1xsf s PRO 6 Ca 0.12 -0.12 0.00 0.00 0.02 0.00 0.00 61.00 61.02 1xsf s PRO 6 Cb -0.17 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.36 1xsf s PRO 6 CO 0.14 -1.67 0.00 0.00 -0.33 0.00 0.00 177.00 175.13 1xsf n ALA 7 N -3.30 0.00 -0.02 -1.55 0.00 -1.26 -4.74 120.51 109.64 1xsf n ALA 7 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1xsf n ALA 7 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 0.00 0.00 -3.36 0.00 -0.00 -1.26 -4.99 115.22 105.61 1xsf n HIS 8 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.34 1xsf n HIS 8 Cb 0.00 -0.21 -0.06 0.00 -0.00 0.00 0.00 29.99 29.72 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 -0.00 4.12 -0.42 1.57 -1.05 -1.26 -5.02 118.70 116.64 1xsf s GLU 9 Ca 0.00 0.58 0.07 0.00 -0.15 0.00 0.00 54.97 55.46 1xsf s GLU 9 Cb 0.00 -3.27 0.22 0.00 -0.44 0.00 0.00 34.13 30.64 1xsf s GLU 9 CO 0.00 0.57 0.52 0.00 0.95 0.00 0.00 175.26 177.30 1xsf n ALA 10 N 2.10 1.84 0.03 -0.84 0.00 -1.26 -4.97 120.51 117.41 1xsf n ALA 10 Ca -0.11 -2.93 -0.13 0.00 0.00 0.00 0.00 53.44 50.27 1xsf n ALA 10 Cb 0.51 -0.90 -0.09 0.00 0.00 0.00 0.00 19.45 18.98 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 1.17 -3.51 0.00 2.07 -2.04 -3.47 116.25 113.54 1xsf h VAL 11 Ca 0.10 -0.64 -0.09 0.00 0.82 0.00 0.00 66.70 66.90 1xsf h VAL 11 Cb 0.92 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1xsf h VAL 11 CO 0.39 0.16 -0.45 0.52 0.02 0.00 0.00 177.57 178.21 1xsf n VAL 12 N -4.98 -1.19 -3.74 2.57 0.31 -1.26 -4.91 118.33 105.13 1xsf n VAL 12 Ca -0.08 0.11 -0.37 0.00 -0.01 0.00 0.00 64.34 63.98 1xsf n VAL 12 Cb 0.17 -1.30 -0.12 0.00 -0.91 0.00 0.00 33.84 31.67 1xsf n VAL 12 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xsf s ARG 13 N -0.71 3.20 0.28 5.55 3.03 -1.26 -5.08 118.95 123.96 1xsf s ARG 13 Ca 0.08 -0.79 0.09 0.00 2.03 0.00 0.00 55.73 57.14 1xsf s ARG 13 Cb -0.01 -3.40 -0.04 0.00 -1.03 0.00 0.00 34.95 30.47 1xsf s ARG 13 CO 0.19 -0.41 0.08 0.08 -1.13 0.00 0.00 175.30 174.11 1xsf s VAL 14 N 1.53 3.56 0.00 4.99 1.01 -1.26 -4.94 120.40 125.30 1xsf s VAL 14 Ca 0.03 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.27 1xsf s VAL 14 Cb -0.17 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1xsf s VAL 14 CO 0.03 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.42 1xsf n GLY 15 N -1.03 0.76 0.21 4.51 0.00 -1.26 -4.99 105.19 103.39 1xsf n GLY 15 Ca -0.06 -0.67 0.09 0.00 0.00 0.00 0.00 46.02 45.39 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 0.52 -5.93 2.61 2.02 -2.07 -3.48 112.91 106.58 1xsf h THR 16 Ca 0.00 -1.25 -0.28 0.00 0.77 0.00 0.00 66.41 65.65 1xsf h THR 16 Cb 0.00 1.87 0.07 0.00 -1.74 0.00 0.00 68.15 68.35 1xsf h THR 16 CO 0.00 0.23 -0.67 0.29 0.37 0.00 0.00 175.52 175.74 1xsf n LYS 17 N -3.32 -1.47 -2.10 6.66 4.76 -1.26 -4.90 118.16 116.53 1xsf n LYS 17 Ca 0.01 0.89 -0.43 0.00 -2.87 0.00 0.00 58.31 55.91 1xsf n LYS 17 Cb 0.48 -4.59 -0.03 0.00 -1.84 0.00 0.00 35.03 29.06 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 -4.65 3.87 0.00 1.97 0.02 -1.26 -4.61 135.00 130.33 1xsf s PRO 18 Ca 0.25 1.76 0.00 0.00 0.02 0.00 0.00 61.00 63.03 1xsf s PRO 18 Cb -0.07 -4.02 0.00 0.00 0.02 0.00 0.00 34.50 30.43 1xsf s PRO 18 CO 0.81 -1.21 0.00 0.41 -0.33 0.00 0.00 177.00 176.69 1xsf n GLY 19 N 4.54 0.00 0.26 0.52 0.00 -1.26 -5.00 105.19 104.25 1xsf n GLY 19 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 1.27 -3.22 2.61 2.02 -1.99 -3.45 112.91 110.15 1xsf h THR 20 Ca 0.00 -1.52 -0.12 0.00 0.77 0.00 0.00 66.41 65.54 1xsf h THR 20 Cb 0.00 1.35 -0.20 0.00 -1.74 0.00 0.00 68.15 67.56 1xsf h THR 20 CO 0.00 0.51 -0.34 -1.61 0.37 0.00 0.00 175.52 174.45 1xsf s GLU 21 N -4.43 0.63 -0.45 6.66 2.02 -1.26 -5.12 118.70 116.75 1xsf s GLU 21 Ca -0.10 -0.31 -0.26 0.00 0.02 0.00 0.00 54.97 54.32 1xsf s GLU 21 Cb 0.12 0.27 0.03 0.00 0.10 0.00 0.00 34.13 34.65 1xsf s GLU 21 CO 0.87 -0.17 0.94 0.08 0.02 0.00 0.00 175.26 177.00 1xsf s VAL 22 N -1.52 4.47 0.39 2.63 1.01 -1.26 -5.02 120.40 121.10 1xsf s VAL 22 Ca -0.13 0.84 -0.26 0.00 0.00 0.00 0.00 61.98 62.43 1xsf s VAL 22 Cb -0.05 -4.43 -0.11 0.00 0.00 0.00 0.00 36.38 31.79 1xsf s VAL 22 CO 0.02 -0.80 1.23 -2.65 0.00 0.00 0.00 175.10 172.90 1xsf n PRO 23 N 7.15 1.89 -1.69 2.72 -0.02 -1.26 -4.90 135.00 138.89 1xsf n PRO 23 Ca 0.07 0.67 -0.43 0.00 -2.02 0.00 0.00 63.50 61.79 1xsf n PRO 23 Cb 0.48 -2.29 -0.01 0.00 -0.02 0.00 0.00 33.50 31.66 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 0.25 2.04 -4.99 0.52 -0.04 -1.26 -4.99 135.00 126.54 1xsf n PRO 24 Ca 0.06 0.72 -0.32 0.00 -0.04 0.00 0.00 63.50 63.92 1xsf n PRO 24 Cb 0.38 -2.28 -0.15 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 -1.10 2.61 0.12 0.52 1.01 -1.26 -5.00 120.40 117.30 1xsf s VAL 25 Ca 0.56 -0.83 0.20 0.00 0.00 0.00 0.00 61.98 61.91 1xsf s VAL 25 Cb -0.58 -2.05 0.16 0.00 0.00 0.00 0.00 36.38 33.92 1xsf s VAL 25 CO 0.62 0.55 1.73 0.40 0.00 0.00 0.00 175.10 178.40 1xsf h ILE 26 N 5.39 0.76 -0.02 2.22 5.03 -2.03 -2.60 117.51 126.26 1xsf h ILE 26 Ca -0.26 -1.45 0.00 0.00 -0.12 0.00 0.00 64.86 63.04 1xsf h ILE 26 Cb 1.21 1.92 0.00 0.00 -3.03 0.00 0.00 36.82 36.93 1xsf h ILE 26 CO 0.51 0.32 -0.02 0.47 -0.68 0.00 0.00 178.15 178.76 1xsf n ASP 27 N -3.45 1.72 0.17 1.72 9.92 -1.26 -3.68 116.55 121.69 1xsf n ASP 27 Ca 0.00 -1.55 0.12 0.00 -0.53 0.00 0.00 54.79 52.83 1xsf n ASP 27 Cb 0.50 0.01 0.63 0.00 -0.64 0.00 0.00 41.12 41.62 1xsf n ASP 27 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1xsf h GLY 28 N 4.84 0.00 1.44 0.44 0.00 -1.87 0.24 103.07 108.16 1xsf h GLY 28 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1xsf h GLY 28 CO 0.00 0.00 -1.10 1.76 0.00 0.00 0.00 176.54 177.20 1xsf h SER 29 N 0.00 0.65 -0.21 0.19 0.02 -1.79 -1.10 113.55 111.31 1xsf h SER 29 Ca 0.00 -0.58 -0.18 0.00 -0.84 0.00 0.00 61.79 60.19 1xsf h SER 29 Cb 0.05 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 1xsf h SER 29 CO 0.00 1.40 -0.56 0.40 -1.14 0.00 0.00 176.83 176.93 1xsf h ILE 30 N 0.23 1.28 -0.32 3.27 1.08 -0.80 -1.20 117.51 121.05 1xsf h ILE 30 Ca -0.13 -1.76 -0.12 0.00 -0.39 0.00 0.00 64.86 62.46 1xsf h ILE 30 Cb 1.77 1.67 -0.01 0.00 -3.07 0.00 0.00 36.82 37.18 1xsf h ILE 30 CO 0.20 0.57 -0.31 -0.50 -0.69 0.00 0.00 178.15 177.42 1xsf h TRP 31 N 0.61 0.80 -0.04 1.37 -0.00 -1.02 0.28 115.95 117.95 1xsf h TRP 31 Ca 0.01 -0.20 -0.22 0.00 -0.00 0.00 0.00 58.89 58.48 1xsf h TRP 31 Cb 1.16 -0.18 0.00 0.00 -0.00 0.00 0.00 29.16 30.14 1xsf h TRP 31 CO 0.07 0.91 -0.87 0.22 -0.00 0.00 0.00 178.44 178.77 1xsf h ASP 32 N 0.59 0.58 0.07 -3.49 3.58 -1.15 -0.92 116.42 115.67 1xsf h ASP 32 Ca 0.07 -0.43 -0.15 0.00 0.42 0.00 0.00 57.03 56.94 1xsf h ASP 32 Cb 0.81 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 1xsf h ASP 32 CO 0.07 1.21 -0.53 0.00 -2.88 0.00 0.00 179.24 177.11 1xsf h ALA 33 N 0.76 0.76 -0.22 -0.78 0.00 -0.79 0.90 119.26 119.89 1xsf h ALA 33 Ca -0.06 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 1xsf h ALA 33 Cb 1.49 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1xsf h ALA 33 CO 0.15 0.68 -0.03 0.82 0.00 0.00 0.00 179.25 180.87 1xsf h ILE 34 N 0.39 1.27 -0.87 0.00 2.04 -0.47 -2.14 117.51 117.73 1xsf h ILE 34 Ca 0.01 -0.99 0.06 0.00 1.00 0.00 0.00 64.86 64.95 1xsf h ILE 34 Cb 1.05 1.47 -0.06 0.00 -0.74 0.00 0.00 36.82 38.55 1xsf h ILE 34 CO 0.10 0.30 0.57 0.00 0.00 0.00 0.00 178.15 179.12 1xsf h ALA 35 N 0.77 1.54 0.00 1.87 0.00 -1.02 0.23 119.26 122.64 1xsf h ALA 35 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xsf h ALA 35 Cb 0.47 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1xsf h ALA 35 CO 0.02 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.02 1xsf n GLY 36 N -1.40 -0.98 0.41 0.00 0.00 0.30 -0.23 105.19 103.28 1xsf n GLY 36 Ca 0.13 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.67 0.03 -0.01 0.00 5.08 -1.01 -3.32 114.58 114.68 1xsf h GLU 38 Ca -0.14 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1xsf h GLU 38 Cb 0.89 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1xsf h GLU 38 CO -0.08 0.65 -0.62 0.00 -1.00 0.00 0.00 179.01 177.96 1xsf n ALA 39 N -2.55 3.89 -0.90 3.43 0.00 -0.87 -4.92 120.51 118.60 1xsf n ALA 39 Ca -0.15 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1xsf n ALA 39 Cb 1.03 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 1.45 0.84 0.63 0.00 0.00 -1.03 -3.63 105.19 103.44 1xsf n GLY 40 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.23 0.68 3.08 -0.02 0.00 0.68 -4.81 105.19 102.56 1xsf n GLY 41 Ca 0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.25 -0.02 0.00 1.61 2.47 -1.24 -4.90 114.94 110.61 1xsf s ASN 42 Ca 0.00 0.64 0.24 0.00 0.42 0.00 0.00 52.86 54.16 1xsf s ASN 42 Cb 0.00 0.67 0.30 0.00 -1.45 0.00 0.00 41.25 40.78 1xsf s ASN 42 CO 0.00 -0.21 1.33 0.79 -3.72 0.00 0.00 177.10 175.29 1xsf n TRP 43 N 4.85 0.16 0.10 0.43 7.02 -1.26 0.14 117.44 128.87 1xsf n TRP 43 Ca -0.15 -0.08 0.05 0.00 -1.02 0.00 0.00 57.50 56.30 1xsf n TRP 43 Cb 0.51 0.00 0.10 0.00 -2.42 0.00 0.00 31.31 29.50 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 1.34 2.31 -1.77 6.99 0.00 -1.26 -3.74 120.51 124.37 1xsf n ALA 44 Ca 0.16 -0.88 -0.38 0.00 0.00 0.00 0.00 53.44 52.34 1xsf n ALA 44 Cb 0.59 -0.37 -0.04 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.93 3.66 -0.33 0.00 2.07 -1.25 -4.83 121.20 119.60 1xsf s ILE 45 Ca 0.17 1.44 0.05 0.00 -1.41 0.00 0.00 60.65 60.90 1xsf s ILE 45 Cb 0.10 -3.83 0.18 0.00 0.13 0.00 0.00 42.46 39.04 1xsf s ILE 45 CO 0.14 0.17 0.52 0.21 -1.91 0.00 0.00 174.94 174.07 1xsf s ASN 46 N -1.28 -0.73 0.42 4.50 3.84 -1.26 -0.33 114.94 120.10 1xsf s ASN 46 Ca 0.52 -0.39 0.23 0.00 0.21 0.00 0.00 52.86 53.42 1xsf s ASN 46 Cb -0.26 1.60 0.56 0.00 -0.55 0.00 0.00 41.25 42.59 1xsf s ASN 46 CO 0.33 -0.28 1.67 0.71 -2.79 0.00 0.00 177.10 176.74 1xsf h THR 47 N 5.71 0.32 0.00 -5.21 1.35 -1.96 -3.47 112.91 109.65 1xsf h THR 47 Ca -0.01 -1.24 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 1xsf h THR 47 Cb 1.15 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 1xsf h THR 47 CO 0.18 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 1xsf n GLY 48 N 0.77 1.11 0.87 5.82 0.00 -1.26 -4.98 105.19 107.52 1xsf n GLY 48 Ca 0.02 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.01 1xsf n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xsf n ASN 49 N 0.17 2.50 0.00 1.61 5.15 -1.26 -4.85 115.26 118.58 1xsf n ASN 49 Ca 0.00 -2.10 0.00 0.00 -0.60 0.00 0.00 54.58 51.88 1xsf n ASN 49 Cb 0.01 -0.34 0.00 0.00 -0.53 0.00 0.00 39.78 38.92 1xsf n ASN 49 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xsf n GLY 50 N 1.01 2.67 3.88 8.20 0.00 -1.26 -4.99 105.19 114.69 1xsf n GLY 50 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.19 3.60 0.42 1.61 1.51 -1.26 -0.04 117.35 121.00 1xsf s TYR 51 Ca 0.00 0.60 0.08 0.00 -1.01 0.00 0.00 57.07 56.73 1xsf s TYR 51 Cb 0.00 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.83 1xsf s TYR 51 CO 0.00 0.67 0.33 0.71 -1.11 0.00 0.00 175.55 176.15 1xsf s TYR 52 N -1.17 2.65 1.26 2.71 1.51 -0.23 -4.55 117.35 119.53 1xsf s TYR 52 Ca 0.22 -0.53 -0.16 0.00 -1.01 0.00 0.00 57.07 55.59 1xsf s TYR 52 Cb -0.13 -2.12 0.30 0.00 -0.11 0.00 0.00 41.96 39.90 1xsf s TYR 52 CO 0.11 -0.06 0.86 0.41 -1.11 0.00 0.00 175.55 175.76 1xsf n GLY 53 N -1.48 -2.64 4.55 0.71 0.00 0.55 -2.47 105.19 104.41 1xsf n GLY 53 Ca 0.02 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 1.41 1.47 0.26 -0.02 0.00 0.12 -3.48 105.19 104.96 1xsf n GLY 54 Ca 0.05 -0.55 0.07 0.00 0.00 0.00 0.00 46.02 45.59 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 0.14 -3.68 1.61 0.31 -1.26 -4.10 118.33 111.35 1xsf n VAL 55 Ca 0.00 -0.18 -0.22 0.00 -0.01 0.00 0.00 64.34 63.93 1xsf n VAL 55 Cb 0.00 0.04 0.03 0.00 -0.91 0.00 0.00 33.84 33.01 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 -0.20 -4.18 -4.59 5.55 -0.06 -1.03 -4.82 117.38 108.06 1xsf n GLN 56 Ca 0.11 0.60 -0.27 0.00 -2.00 0.00 0.00 57.00 55.45 1xsf n GLN 56 Cb 0.16 -5.06 -0.11 0.00 -4.06 0.00 0.00 30.24 21.18 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 -3.64 2.46 0.34 3.69 -0.71 -1.21 -4.71 117.98 114.21 1xsf s PHE 57 Ca 0.09 -0.61 -0.27 0.00 -1.04 0.00 0.00 56.93 55.10 1xsf s PHE 57 Cb -0.02 -1.61 -0.09 0.00 -1.21 0.00 0.00 43.02 40.08 1xsf s PHE 57 CO 0.82 0.50 1.17 0.34 -1.34 0.00 0.00 175.22 176.71 1xsf s ASP 58 N -3.66 6.84 0.32 1.98 2.15 -1.26 -1.07 116.67 121.97 1xsf s ASP 58 Ca 0.34 2.39 0.04 0.00 0.43 0.00 0.00 52.55 55.75 1xsf s ASP 58 Cb 0.07 -2.63 0.64 0.00 -0.30 0.00 0.00 42.92 40.70 1xsf s ASP 58 CO 0.17 -0.46 1.90 -0.61 -0.17 0.00 0.00 175.17 176.00 1xsf h GLN 59 N 3.20 0.87 -0.08 4.34 5.75 -0.81 0.36 115.11 128.75 1xsf h GLN 59 Ca -0.48 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 57.96 1xsf h GLN 59 Cb 1.22 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 29.57 1xsf h GLN 59 CO 0.65 0.58 0.03 0.78 -2.65 0.00 0.00 178.83 178.21 1xsf h GLY 60 N 0.90 0.13 1.01 2.39 0.00 -1.92 0.47 103.07 106.06 1xsf h GLY 60 Ca 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 1xsf h GLY 60 CO -0.17 0.07 0.40 -0.84 0.00 0.00 0.00 176.54 176.00 1xsf h THR 61 N -0.05 1.22 -0.21 4.70 2.02 -1.80 0.40 112.91 119.19 1xsf h THR 61 Ca 0.03 -0.53 0.04 0.00 0.77 0.00 0.00 66.41 66.71 1xsf h THR 61 Cb 0.21 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 1xsf h THR 61 CO -0.00 0.24 -0.04 -0.25 0.37 0.00 0.00 175.52 175.84 1xsf h TRP 62 N 0.98 -0.08 -0.54 3.16 2.91 -0.08 -1.20 115.95 121.09 1xsf h TRP 62 Ca 0.25 0.02 -0.11 0.00 1.13 0.00 0.00 58.89 60.18 1xsf h TRP 62 Cb 0.03 0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 28.72 1xsf h TRP 62 CO -0.00 -0.07 -0.08 1.49 -1.03 0.00 0.00 178.44 178.74 1xsf h GLU 63 N 0.02 1.00 -0.82 2.65 4.81 0.38 0.43 114.58 123.04 1xsf h GLU 63 Ca 0.10 -0.35 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 1xsf h GLU 63 Cb 0.14 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1xsf h GLU 63 CO -0.20 1.03 0.40 0.00 -0.73 0.00 0.00 179.01 179.51 1xsf h ALA 64 N 1.00 1.15 0.00 2.92 0.00 0.22 0.05 119.26 124.61 1xsf h ALA 64 Ca 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1xsf h ALA 64 Cb 0.63 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xsf h ALA 64 CO 0.04 0.65 -0.09 -0.91 0.00 0.00 0.00 179.25 178.94 1xsf h ASN 65 N 1.17 0.00 0.00 0.00 -0.26 -1.11 -3.47 115.58 111.91 1xsf h ASN 65 Ca 0.28 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.02 1xsf h ASN 65 Cb 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 1xsf h ASN 65 CO -0.04 0.09 0.00 0.61 -1.06 0.00 0.00 177.43 177.03 1xsf n GLY 66 N 0.63 1.06 0.15 2.83 0.00 0.01 -5.00 105.19 104.87 1xsf n GLY 66 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.31 -3.27 103.07 101.47 1xsf h GLY 67 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1xsf h GLY 67 CO 0.00 0.00 -0.07 1.41 0.00 0.00 0.00 176.54 177.88 1xsf h LEU 68 N 0.00 0.00 -0.76 3.11 3.38 -1.76 0.20 115.31 119.47 1xsf h LEU 68 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1xsf h LEU 68 Cb 0.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1xsf h LEU 68 CO 0.00 0.07 -0.53 0.08 0.09 0.00 0.00 178.44 178.15 1xsf h ARG 69 N 0.00 0.24 0.00 1.13 0.11 -1.96 -2.50 114.38 111.40 1xsf h ARG 69 Ca -0.00 -0.15 -0.20 0.00 0.10 0.00 0.00 59.98 59.73 1xsf h ARG 69 Cb 0.23 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.31 1xsf h ARG 69 CO 0.01 0.71 -0.89 1.88 0.10 0.00 0.00 179.97 181.78 1xsf h TYR 70 N 0.19 0.33 0.00 4.08 0.05 -0.92 -3.46 116.97 117.24 1xsf h TYR 70 Ca 0.00 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.60 1xsf h TYR 70 Cb 0.99 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.70 1xsf h TYR 70 CO 0.02 1.00 0.00 0.00 -1.05 0.00 0.00 178.16 178.13 1xsf n ALA 71 N -2.47 0.00 0.00 3.88 0.00 -0.16 -4.64 120.51 117.12 1xsf n ALA 71 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1xsf n ALA 71 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.26 1xsf n ALA 71 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1xsf n PRO 72 N 0.00 0.00 -3.78 0.00 -0.02 -0.97 -3.75 135.00 126.48 1xsf n PRO 72 Ca 0.00 0.15 -0.13 0.00 -2.02 0.00 0.00 63.50 61.51 1xsf n PRO 72 Cb 0.00 -1.55 -0.12 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 -2.16 0.22 0.53 -0.52 1.70 -1.26 -4.83 118.95 112.64 1xsf s ARG 73 Ca 0.00 0.35 0.27 0.00 -0.47 0.00 0.00 55.73 55.88 1xsf s ARG 73 Cb 0.00 0.04 1.50 0.00 -0.57 0.00 0.00 34.95 35.92 1xsf s ARG 73 CO 0.00 -0.07 2.11 0.00 -1.08 0.00 0.00 175.30 176.26 1xsf h ALA 74 N 6.24 1.39 -0.31 7.88 0.00 -1.88 -1.34 119.26 131.25 1xsf h ALA 74 Ca -0.30 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xsf h ALA 74 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xsf h ALA 74 CO 0.38 0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.35 1xsf n ASP 75 N -3.77 1.63 -0.04 0.00 5.75 -1.26 -2.84 116.55 116.03 1xsf n ASP 75 Ca -0.02 -2.00 -0.05 0.00 -0.01 0.00 0.00 54.79 52.71 1xsf n ASP 75 Cb 0.20 -0.20 -0.05 0.00 -1.03 0.00 0.00 41.12 40.03 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 0.39 1.33 -4.83 -2.12 7.94 -0.56 -4.67 117.00 114.48 1xsf n LEU 76 Ca 0.10 -0.02 -0.33 0.00 -1.11 0.00 0.00 56.01 54.65 1xsf n LEU 76 Cb 0.26 -0.04 -0.03 0.00 0.53 0.00 0.00 43.42 44.13 1xsf n LEU 76 CO 0.07 0.39 0.69 0.00 -1.11 0.00 0.00 177.39 177.42 1xsf s ALA 77 N -2.18 2.98 0.37 1.96 0.00 -0.85 -5.01 121.76 119.03 1xsf s ALA 77 Ca -0.07 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1xsf s ALA 77 Cb 0.03 -3.16 0.05 0.00 0.00 0.00 0.00 23.12 20.03 1xsf s ALA 77 CO 0.25 -0.31 0.37 0.25 0.00 0.00 0.00 175.76 176.32 1xsf n THR 78 N -1.48 0.00 -0.09 0.00 -2.24 -1.26 -4.77 114.28 104.44 1xsf n THR 78 Ca 0.07 -0.73 -0.07 0.00 -2.27 0.00 0.00 64.05 61.06 1xsf n THR 78 Cb 0.54 -0.97 -0.00 0.00 -2.10 0.00 0.00 70.33 67.79 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 -0.18 -0.72 -0.78 3.08 -1.97 0.13 114.38 113.94 1xsf h ARG 79 Ca -0.12 0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.96 1xsf h ARG 79 Cb 0.51 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 1xsf h ARG 79 CO 0.15 -0.12 0.47 1.05 -1.07 0.00 0.00 179.97 180.45 1xsf h GLU 80 N -0.19 0.90 0.17 0.04 4.11 -1.97 0.34 114.58 117.98 1xsf h GLU 80 Ca 0.17 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.54 1xsf h GLU 80 Cb 0.45 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1xsf h GLU 80 CO -0.44 0.60 -0.08 0.93 0.07 0.00 0.00 179.01 180.09 1xsf h GLU 81 N 0.93 -0.21 -0.69 1.06 3.07 -1.77 -2.51 114.58 114.46 1xsf h GLU 81 Ca 0.28 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.17 1xsf h GLU 81 Cb -0.04 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 1xsf h GLU 81 CO -0.08 0.00 0.44 1.96 -1.40 0.00 0.00 179.01 179.93 1xsf h GLN 82 N -0.41 0.85 -0.82 2.33 4.20 -0.27 -1.63 115.11 119.35 1xsf h GLN 82 Ca -0.02 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.65 1xsf h GLN 82 Cb 0.32 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 1xsf h GLN 82 CO 0.04 0.56 0.54 0.82 -0.67 0.00 0.00 178.83 180.12 1xsf h ILE 83 N 0.87 1.18 -0.52 2.54 2.04 -0.36 0.59 117.51 123.86 1xsf h ILE 83 Ca 0.27 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 1xsf h ILE 83 Cb -0.03 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.03 1xsf h ILE 83 CO -0.09 0.20 0.13 0.00 0.00 0.00 0.00 178.15 178.39 1xsf h ALA 84 N 1.32 0.69 -0.06 1.87 0.00 -0.86 0.50 119.26 122.71 1xsf h ALA 84 Ca 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1xsf h ALA 84 Cb -0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1xsf h ALA 84 CO -0.08 0.38 0.01 0.28 0.00 0.00 0.00 179.25 179.83 1xsf h VAL 85 N 0.72 1.22 -0.19 0.00 2.07 -0.95 -2.24 116.25 116.89 1xsf h VAL 85 Ca 0.16 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 67.04 1xsf h VAL 85 Cb 0.33 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1xsf h VAL 85 CO 0.00 0.19 0.14 0.00 0.02 0.00 0.00 177.57 177.92 1xsf h ALA 86 N 0.75 2.11 -0.62 1.67 0.00 -0.69 -2.37 119.26 120.11 1xsf h ALA 86 Ca 0.02 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xsf h ALA 86 Cb 0.29 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1xsf h ALA 86 CO 0.00 -0.15 0.39 0.93 0.00 0.00 0.00 179.25 180.42 1xsf h GLU 87 N 0.06 0.75 0.06 0.00 4.39 0.61 0.69 114.58 121.12 1xsf h GLU 87 Ca 0.09 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 1xsf h GLU 87 Cb 0.28 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1xsf h GLU 87 CO -0.01 0.50 -0.03 0.28 -1.16 0.00 0.00 179.01 178.59 1xsf h VAL 88 N 0.77 1.09 -0.08 3.13 2.07 -1.19 -2.82 116.25 119.21 1xsf h VAL 88 Ca 0.24 -0.47 -0.19 0.00 0.82 0.00 0.00 66.70 67.10 1xsf h VAL 88 Cb -0.01 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1xsf h VAL 88 CO -0.09 0.12 -0.75 0.00 0.02 0.00 0.00 177.57 176.87 1xsf h THR 89 N -0.28 1.37 -0.81 2.57 1.03 -1.40 -3.18 112.91 112.21 1xsf h THR 89 Ca -0.01 -2.14 -0.00 0.00 -0.01 0.00 0.00 66.41 64.25 1xsf h THR 89 Cb 0.25 2.11 -0.04 0.00 -1.07 0.00 0.00 68.15 69.40 1xsf h THR 89 CO 0.01 0.65 0.49 0.08 -0.01 0.00 0.00 175.52 176.74 1xsf h ARG 90 N 0.30 1.09 0.00 0.00 0.11 0.37 -2.53 114.38 113.73 1xsf h ARG 90 Ca -0.04 -0.10 -0.04 0.00 0.10 0.00 0.00 59.98 59.91 1xsf h ARG 90 Cb 1.33 -0.23 -0.01 0.00 1.11 0.00 0.00 29.97 32.17 1xsf h ARG 90 CO 0.13 0.76 -0.19 1.37 0.10 0.00 0.00 179.97 182.15 1xsf h LEU 91 N 1.11 0.00 0.05 0.08 8.10 -1.47 0.45 115.31 123.62 1xsf h LEU 91 Ca 0.29 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 58.19 1xsf h LEU 91 Cb -0.05 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.17 1xsf h LEU 91 CO -0.06 0.19 -0.44 0.03 -4.11 0.00 0.00 178.44 174.05 1xsf h ARG 92 N 0.00 0.11 0.00 0.17 3.08 -1.50 -3.40 114.38 112.84 1xsf h ARG 92 Ca -0.00 -0.18 -0.24 0.00 0.07 0.00 0.00 59.98 59.63 1xsf h ARG 92 Cb 0.63 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.71 1xsf h ARG 92 CO 0.02 1.09 -1.96 0.00 -1.07 0.00 0.00 179.97 178.05 1xsf n GLN 93 N -4.41 0.66 -1.03 0.04 10.64 -0.99 -5.00 117.38 117.30 1xsf n GLN 93 Ca -0.14 0.06 0.00 0.00 -1.83 0.00 0.00 57.00 55.10 1xsf n GLN 93 Cb 0.63 -1.64 0.00 0.00 -0.86 0.00 0.00 30.24 28.37 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 1.54 0.99 2.58 2.61 0.00 0.16 -3.68 105.19 109.39 1xsf n GLY 94 Ca -0.19 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.05 0.00 0.15 1.61 7.02 -1.20 -4.76 117.44 119.22 1xsf n TRP 95 Ca 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1xsf n TRP 95 Cb 0.21 -2.58 0.23 0.00 -2.42 0.00 0.00 31.31 26.75 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 0.03 1.99 6.99 0.00 -1.88 -2.81 103.07 107.39 1xsf h GLY 96 Ca -0.25 -0.03 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 1xsf h GLY 96 CO 0.37 0.03 -0.50 0.00 0.00 0.00 0.00 176.54 176.44 1xsf h ALA 97 N 1.45 1.17 -2.22 3.60 0.00 -1.88 -3.38 119.26 118.00 1xsf h ALA 97 Ca -0.00 -0.45 -0.73 0.00 0.00 0.00 0.00 54.91 53.72 1xsf h ALA 97 Cb 0.93 -0.08 -0.21 0.00 0.00 0.00 0.00 17.79 18.43 1xsf h ALA 97 CO 0.07 0.63 -0.21 -1.58 0.00 0.00 0.00 179.25 178.15 1xsf s TRP 98 N -3.90 3.19 0.00 0.00 0.51 -1.06 -5.02 118.94 112.66 1xsf s TRP 98 Ca -0.02 -0.87 0.00 0.00 -2.12 0.00 0.00 56.10 53.08 1xsf s TRP 98 Cb 0.13 -3.35 0.00 0.00 -0.81 0.00 0.00 33.47 29.45 1xsf s TRP 98 CO 0.75 -0.89 0.00 -2.30 -0.51 0.00 0.00 176.95 173.99 1xsf n PRO 99 N 5.48 0.00 0.10 4.98 -0.02 -1.26 -3.65 135.00 140.63 1xsf n PRO 99 Ca -0.11 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.34 1xsf n PRO 99 Cb 0.44 -0.13 0.17 0.00 -0.02 0.00 0.00 33.50 33.96 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 1.37 0.00 -1.45 2.07 -1.95 -3.22 116.25 113.07 1xsf h VAL 100 Ca 0.00 -1.85 -0.12 0.00 0.82 0.00 0.00 66.70 65.56 1xsf h VAL 100 Cb 0.00 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1xsf h VAL 100 CO 0.00 0.54 -0.56 0.00 0.02 0.00 0.00 177.57 177.58 1xsf h ALA 102 N 1.44 0.21 -0.40 0.00 0.00 -1.62 -1.61 119.26 117.29 1xsf h ALA 102 Ca -0.01 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1xsf h ALA 102 Cb 1.34 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1xsf h ALA 102 CO 0.07 0.10 -0.05 0.00 0.00 0.00 0.00 179.25 179.37 1xsf h ALA 103 N 0.60 1.17 0.00 0.00 0.00 -1.61 0.32 119.26 119.74 1xsf h ALA 103 Ca 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1xsf h ALA 103 Cb 0.69 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1xsf h ALA 103 CO 0.04 0.54 -0.10 0.07 0.00 0.00 0.00 179.25 179.80 1xsf h ARG 104 N 0.62 0.00 0.00 0.00 -0.00 -1.32 -3.11 114.38 110.57 1xsf h ARG 104 Ca 0.12 0.00 -0.10 0.00 -0.00 0.00 0.00 59.98 60.00 1xsf h ARG 104 Cb 0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.42 1xsf h ARG 104 CO 0.02 0.10 -1.75 0.00 -0.00 0.00 0.00 179.97 178.34 1xsf n ALA 105 N -2.14 2.36 0.00 0.08 0.00 -0.61 -4.98 120.51 115.22 1xsf n ALA 105 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1xsf n ALA 105 Cb 0.42 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 1.35 0.48 3.76 0.00 0.00 0.89 -4.32 105.19 107.35 1xsf n GLY 106 Ca -0.09 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.10 3.00 0.00 4.61 0.00 0.20 -4.92 121.76 124.55 1xsf s ALA 107 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1xsf s ALA 107 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1xsf s ALA 107 CO 0.00 -1.05 0.13 0.54 0.00 0.00 0.00 175.76 175.38