#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 0.00 -1.68 2.41 3.14 -1.26 -4.90 118.33 116.05 1xsf n VAL 2 Ca 0.00 -0.07 -0.44 0.00 -2.96 0.00 0.00 64.34 60.87 1xsf n VAL 2 Cb 0.00 0.26 -0.04 0.00 -1.06 0.00 0.00 33.84 33.01 1xsf n VAL 2 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1xsf n VAL 3 N -1.01 0.46 -3.94 1.55 3.14 -1.26 -4.98 118.33 112.28 1xsf n VAL 3 Ca 0.10 -0.08 -0.27 0.00 -2.96 0.00 0.00 64.34 61.13 1xsf n VAL 3 Cb 0.34 -2.05 -0.03 0.00 -1.06 0.00 0.00 33.84 31.04 1xsf n VAL 3 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1xsf s VAL 4 N 3.17 5.32 -0.49 1.55 1.01 -1.26 -5.07 120.40 124.63 1xsf s VAL 4 Ca 0.85 -0.65 -0.22 0.00 0.00 0.00 0.00 61.98 61.96 1xsf s VAL 4 Cb -0.54 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.16 1xsf s VAL 4 CO 0.41 -0.06 0.75 0.42 0.00 0.00 0.00 175.10 176.62 1xsf s THR 5 N -1.71 4.68 -0.67 3.92 -4.23 -1.26 -4.99 115.64 111.38 1xsf s THR 5 Ca 0.34 0.08 -0.26 0.00 -1.18 0.00 0.00 61.69 60.67 1xsf s THR 5 Cb -0.11 -4.34 -0.03 0.00 1.34 0.00 0.00 72.50 69.35 1xsf s THR 5 CO 0.28 -0.81 1.94 -2.84 -0.54 0.00 0.00 174.62 172.65 1xsf s PRO 6 N 3.18 2.54 -0.38 3.99 0.02 -1.26 -4.79 135.00 138.29 1xsf s PRO 6 Ca 0.24 0.47 0.09 0.00 0.02 0.00 0.00 61.00 61.82 1xsf s PRO 6 Cb -0.14 -4.56 0.44 0.00 0.02 0.00 0.00 34.50 30.25 1xsf s PRO 6 CO 0.18 -2.96 1.10 0.00 -0.33 0.00 0.00 177.00 174.98 1xsf n ALA 7 N 13.43 4.64 1.16 -1.55 0.00 -1.26 -4.60 120.51 132.32 1xsf n ALA 7 Ca 0.27 -3.94 0.13 0.00 0.00 0.00 0.00 53.44 49.90 1xsf n ALA 7 Cb 0.51 -0.59 0.48 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.45 0.00 -4.43 0.00 -0.00 -1.26 -4.87 115.22 104.21 1xsf n HIS 8 Ca 0.33 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.81 1xsf n HIS 8 Cb 0.75 -0.28 -0.09 0.00 -0.00 0.00 0.00 29.99 30.37 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 -2.78 1.81 -0.38 1.57 -1.05 -1.26 -5.08 118.70 111.53 1xsf s GLU 9 Ca 0.19 -1.68 0.10 0.00 -0.15 0.00 0.00 54.97 53.43 1xsf s GLU 9 Cb 0.19 -1.86 0.30 0.00 -0.44 0.00 0.00 34.13 32.32 1xsf s GLU 9 CO 0.57 0.34 0.64 0.00 0.95 0.00 0.00 175.26 177.76 1xsf n ALA 10 N -0.65 2.23 -0.26 -0.84 0.00 -1.26 -4.94 120.51 114.80 1xsf n ALA 10 Ca -0.06 -3.42 0.00 0.00 0.00 0.00 0.00 53.44 49.96 1xsf n ALA 10 Cb 0.60 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1xsf n ALA 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xsf n VAL 11 N 0.78 0.00 -2.11 0.00 0.31 -1.26 -5.04 118.33 111.01 1xsf n VAL 11 Ca 0.23 0.27 -0.15 0.00 -0.01 0.00 0.00 64.34 64.69 1xsf n VAL 11 Cb 0.60 -1.24 0.01 0.00 -0.91 0.00 0.00 33.84 32.30 1xsf n VAL 11 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1xsf n VAL 12 N -2.21 -1.44 -3.07 2.52 3.14 -1.26 -4.82 118.33 111.18 1xsf n VAL 12 Ca 0.00 0.02 -0.45 0.00 -2.96 0.00 0.00 64.34 60.96 1xsf n VAL 12 Cb 0.00 -1.31 -0.03 0.00 -1.06 0.00 0.00 33.84 31.43 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 -1.24 3.33 0.28 1.45 1.70 -1.26 -4.98 118.95 118.23 1xsf s ARG 13 Ca 0.13 -1.64 0.08 0.00 -0.47 0.00 0.00 55.73 53.83 1xsf s ARG 13 Cb -0.01 -4.50 -0.06 0.00 -0.57 0.00 0.00 34.95 29.81 1xsf s ARG 13 CO 0.34 -1.59 -0.10 0.08 -1.08 0.00 0.00 175.30 172.95 1xsf s VAL 14 N 2.31 1.86 0.00 4.99 1.01 -1.26 -4.95 120.40 124.36 1xsf s VAL 14 Ca 0.20 -2.19 0.00 0.00 0.00 0.00 0.00 61.98 59.99 1xsf s VAL 14 Cb -0.15 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1xsf s VAL 14 CO -0.01 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.34 1xsf n GLY 15 N -0.58 -0.04 0.31 4.51 0.00 -1.26 -4.97 105.19 103.16 1xsf n GLY 15 Ca -0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 45.58 1xsf n GLY 15 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xsf h THR 16 N 0.00 1.21 -3.58 2.61 2.02 -2.05 -3.35 112.91 109.78 1xsf h THR 16 Ca 0.00 -0.69 -0.65 0.00 0.77 0.00 0.00 66.41 65.84 1xsf h THR 16 Cb 0.07 0.54 -0.40 0.00 -1.74 0.00 0.00 68.15 66.62 1xsf h THR 16 CO 0.00 0.27 -0.72 -0.54 0.37 0.00 0.00 175.52 174.90 1xsf s LYS 17 N -5.36 1.37 0.86 6.66 3.01 -1.26 -5.12 119.74 119.90 1xsf s LYS 17 Ca -0.10 -1.77 -0.12 0.00 -1.01 0.00 0.00 55.97 52.97 1xsf s LYS 17 Cb 0.16 -3.00 0.11 0.00 -1.01 0.00 0.00 37.83 34.09 1xsf s LYS 17 CO 0.79 -0.96 1.10 -2.14 0.51 0.00 0.00 175.35 174.66 1xsf s PRO 18 N 0.97 1.58 -0.57 -1.68 0.02 -1.26 -4.95 135.00 129.11 1xsf s PRO 18 Ca 0.11 0.64 0.01 0.00 0.02 0.00 0.00 61.00 61.78 1xsf s PRO 18 Cb -0.19 -1.86 0.54 0.00 0.02 0.00 0.00 34.50 33.01 1xsf s PRO 18 CO -0.11 -1.97 1.98 0.41 -0.33 0.00 0.00 177.00 176.98 1xsf n GLY 19 N -1.73 5.30 0.07 0.52 0.00 -1.26 -4.58 105.19 103.51 1xsf n GLY 19 Ca 0.07 -1.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 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 1.01 1.11 -3.30 2.61 2.02 -2.04 -3.41 112.91 110.92 1xsf h THR 20 Ca 0.62 -0.34 -0.52 0.00 0.77 0.00 0.00 66.41 66.94 1xsf h THR 20 Cb 1.68 1.20 -0.38 0.00 -1.74 0.00 0.00 68.15 68.91 1xsf h THR 20 CO 1.38 0.10 -0.78 -1.61 0.37 0.00 0.00 175.52 174.98 1xsf s GLU 21 N -5.69 1.04 -0.40 6.66 2.02 -1.26 -5.10 118.70 115.98 1xsf s GLU 21 Ca -0.14 -0.37 -0.24 0.00 0.02 0.00 0.00 54.97 54.25 1xsf s GLU 21 Cb 0.06 -1.83 0.02 0.00 0.10 0.00 0.00 34.13 32.47 1xsf s GLU 21 CO 0.68 -0.47 0.82 0.08 0.02 0.00 0.00 175.26 176.39 1xsf s VAL 22 N 1.76 4.66 0.19 2.63 1.01 -1.26 -5.02 120.40 124.37 1xsf s VAL 22 Ca 0.01 0.78 -0.33 0.00 0.00 0.00 0.00 61.98 62.44 1xsf s VAL 22 Cb -0.15 -4.28 -0.14 0.00 0.00 0.00 0.00 36.38 31.81 1xsf s VAL 22 CO -0.07 -0.57 1.50 -2.65 0.00 0.00 0.00 175.10 173.31 1xsf n PRO 23 N 6.63 2.05 -1.67 2.72 -0.02 -1.26 -4.88 135.00 138.57 1xsf n PRO 23 Ca 0.04 0.73 -0.43 0.00 -2.02 0.00 0.00 63.50 61.82 1xsf n PRO 23 Cb 0.48 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 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 2.82 1.97 -3.21 0.52 -0.04 -1.26 -4.94 135.00 130.87 1xsf n PRO 24 Ca 0.15 0.69 -0.39 0.00 -0.04 0.00 0.00 63.50 63.91 1xsf n PRO 24 Cb 0.29 -2.25 -0.06 0.00 -0.04 0.00 0.00 33.50 31.45 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 -0.94 5.11 -0.03 0.52 0.11 -1.26 -4.95 120.40 118.96 1xsf s VAL 25 Ca 0.58 1.11 0.17 0.00 -2.93 0.00 0.00 61.98 60.90 1xsf s VAL 25 Cb -0.60 -3.89 0.10 0.00 -1.53 0.00 0.00 36.38 30.45 1xsf s VAL 25 CO 0.60 0.25 1.56 0.40 -3.33 0.00 0.00 175.10 174.58 1xsf h ILE 26 N 4.88 0.85 -0.27 7.04 1.08 -2.05 -3.15 117.51 125.89 1xsf h ILE 26 Ca -0.38 -1.93 0.00 0.00 -0.39 0.00 0.00 64.86 62.16 1xsf h ILE 26 Cb 1.17 2.22 0.00 0.00 -3.07 0.00 0.00 36.82 37.15 1xsf h ILE 26 CO 0.76 0.44 0.00 0.47 -0.69 0.00 0.00 178.15 179.12 1xsf n ASP 27 N -3.33 3.68 0.00 1.72 8.00 -1.26 -4.35 116.55 121.01 1xsf n ASP 27 Ca 0.01 -2.81 0.07 0.00 0.71 0.00 0.00 54.79 52.77 1xsf n ASP 27 Cb 0.64 -0.48 0.36 0.00 -0.02 0.00 0.00 41.12 41.62 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 -0.31 -0.91 0.21 0.44 0.00 -1.19 -1.24 105.19 102.19 1xsf n GLY 28 Ca 0.19 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 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 0.89 -0.45 1.61 0.02 -1.82 0.21 113.55 114.01 1xsf h SER 29 Ca 0.00 -0.63 -0.13 0.00 -0.84 0.00 0.00 61.79 60.19 1xsf h SER 29 Cb 0.20 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1xsf h SER 29 CO 0.00 1.43 -0.22 0.40 -1.14 0.00 0.00 176.83 177.30 1xsf h ILE 30 N 0.46 1.27 -0.25 3.27 1.08 -1.35 0.26 117.51 122.25 1xsf h ILE 30 Ca -0.08 -1.38 -0.16 0.00 -0.39 0.00 0.00 64.86 62.85 1xsf h ILE 30 Cb 1.51 1.14 -0.01 0.00 -3.07 0.00 0.00 36.82 36.39 1xsf h ILE 30 CO 0.17 0.48 -0.49 -0.50 -0.69 0.00 0.00 178.15 177.12 1xsf h TRP 31 N 0.83 0.83 0.08 1.37 -0.00 -1.33 -0.81 115.95 116.93 1xsf h TRP 31 Ca 0.11 -0.27 -0.25 0.00 -0.00 0.00 0.00 58.89 58.47 1xsf h TRP 31 Cb 0.79 -0.16 -0.00 0.00 -0.00 0.00 0.00 29.16 29.79 1xsf h TRP 31 CO 0.05 1.03 -1.14 0.22 -0.00 0.00 0.00 178.44 178.60 1xsf h ASP 32 N 0.53 0.33 0.17 -3.49 3.58 -0.42 -2.32 116.42 114.81 1xsf h ASP 32 Ca 0.02 -0.34 -0.11 0.00 0.42 0.00 0.00 57.03 57.03 1xsf h ASP 32 Cb 1.04 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 1xsf h ASP 32 CO 0.10 1.25 -0.38 0.00 -2.88 0.00 0.00 179.24 177.32 1xsf h ALA 33 N 0.71 1.10 -0.43 -0.78 0.00 -0.39 0.16 119.26 119.63 1xsf h ALA 33 Ca -0.10 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xsf h ALA 33 Cb 1.86 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 1xsf h ALA 33 CO 0.18 0.58 0.26 0.82 0.00 0.00 0.00 179.25 181.09 1xsf h ILE 34 N 0.25 1.14 -0.56 0.00 2.04 -1.11 -0.46 117.51 118.82 1xsf h ILE 34 Ca 0.03 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1xsf h ILE 34 Cb 0.79 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 1xsf h ILE 34 CO 0.06 0.15 0.29 0.00 0.00 0.00 0.00 178.15 178.65 1xsf h ALA 35 N 1.11 1.46 0.00 1.87 0.00 -0.79 -0.29 119.26 122.63 1xsf h ALA 35 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xsf h ALA 35 Cb 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1xsf h ALA 35 CO -0.03 0.44 0.00 0.78 0.00 0.00 0.00 179.25 180.44 1xsf h GLY 36 N 0.86 0.00 0.00 0.00 0.00 -0.26 0.20 103.07 103.86 1xsf h GLY 36 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1xsf h GLY 36 CO -0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.51 1xsf n GLU 38 N -1.90 0.68 0.10 0.00 -0.58 -1.00 -3.91 120.64 114.02 1xsf n GLU 38 Ca 0.00 0.28 0.12 0.00 -0.42 0.00 0.00 57.16 57.14 1xsf n GLU 38 Cb 0.00 -1.76 0.25 0.00 -0.57 0.00 0.00 31.44 29.36 1xsf n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xsf h ALA 39 N 0.67 0.77 -0.07 0.62 0.00 -1.59 -3.47 119.26 116.20 1xsf h ALA 39 Ca -0.34 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1xsf h ALA 39 Cb 2.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1xsf h ALA 39 CO 0.08 0.00 -0.03 0.41 0.00 0.00 0.00 179.25 179.71 1xsf n GLY 40 N 1.29 0.50 0.85 0.00 0.00 -0.73 -3.59 105.19 103.53 1xsf n GLY 40 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.26 0.67 2.76 -0.02 0.00 0.61 -4.83 105.19 102.12 1xsf n GLY 41 Ca -0.01 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 1xsf n GLY 41 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xsf s ASN 42 N -2.38 1.59 0.00 1.61 -0.87 -1.24 -4.96 114.94 108.70 1xsf s ASN 42 Ca 0.00 -0.58 0.28 0.00 -1.57 0.00 0.00 52.86 50.99 1xsf s ASN 42 Cb 0.00 0.48 1.07 0.00 -0.02 0.00 0.00 41.25 42.77 1xsf s ASN 42 CO 0.00 -0.37 1.77 0.79 -2.57 0.00 0.00 177.10 176.72 1xsf n TRP 43 N 5.31 0.00 -0.51 2.20 7.02 -1.26 -0.88 117.44 129.33 1xsf n TRP 43 Ca -0.03 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.52 1xsf n TRP 43 Cb 0.47 -0.26 0.21 0.00 -2.42 0.00 0.00 31.31 29.32 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 -1.16 2.56 -2.18 6.99 0.00 -1.26 -3.48 120.51 121.97 1xsf n ALA 44 Ca 0.11 -1.60 -0.36 0.00 0.00 0.00 0.00 53.44 51.59 1xsf n ALA 44 Cb 0.30 -0.60 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.72 4.65 -0.30 0.00 2.07 -1.21 -4.84 121.20 119.85 1xsf s ILE 45 Ca 0.33 1.19 -0.05 0.00 -1.41 0.00 0.00 60.65 60.70 1xsf s ILE 45 Cb 0.22 -3.85 0.17 0.00 0.13 0.00 0.00 42.46 39.13 1xsf s ILE 45 CO 0.14 0.29 0.68 0.54 -1.91 0.00 0.00 174.94 174.68 1xsf s ASN 46 N -1.56 -1.19 0.38 4.50 2.20 -1.26 -0.10 114.94 117.91 1xsf s ASN 46 Ca 0.39 1.03 0.23 0.00 -0.94 0.00 0.00 52.86 53.57 1xsf s ASN 46 Cb -0.17 2.12 0.25 0.00 -2.00 0.00 0.00 41.25 41.45 1xsf s ASN 46 CO 0.21 -0.22 1.47 0.71 -2.94 0.00 0.00 177.10 176.32 1xsf h THR 47 N 5.91 0.03 0.00 0.54 1.35 -1.98 -3.47 112.91 115.30 1xsf h THR 47 Ca -0.20 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 1xsf h THR 47 Cb 1.14 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 1xsf h THR 47 CO 0.17 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 1xsf n GLY 48 N 1.12 1.57 0.51 5.82 0.00 -1.26 -4.99 105.19 107.96 1xsf n GLY 48 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 1.81 0.00 1.61 5.15 -1.26 -4.92 115.26 117.65 1xsf n ASN 49 Ca 0.00 -1.42 0.00 0.00 -0.60 0.00 0.00 54.58 52.56 1xsf n ASN 49 Cb 0.00 0.18 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 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 1.33 1.64 3.85 8.20 0.00 -1.26 -5.03 105.19 113.92 1xsf n GLY 50 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.35 3.57 0.41 1.61 2.02 -1.26 0.08 117.35 121.43 1xsf s TYR 51 Ca 0.00 0.52 0.08 0.00 -0.37 0.00 0.00 57.07 57.30 1xsf s TYR 51 Cb 0.00 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.53 1xsf s TYR 51 CO 0.00 0.64 0.35 0.71 -1.57 0.00 0.00 175.55 175.68 1xsf s TYR 52 N -0.74 2.71 1.14 2.71 1.51 -0.90 -4.56 117.35 119.22 1xsf s TYR 52 Ca 0.14 -0.48 -0.13 0.00 -1.01 0.00 0.00 57.07 55.59 1xsf s TYR 52 Cb -0.12 -2.11 0.27 0.00 -0.11 0.00 0.00 41.96 39.89 1xsf s TYR 52 CO 0.03 -0.06 1.04 0.20 -1.11 0.00 0.00 175.55 175.66 1xsf s GLY 53 N -4.09 1.55 0.00 0.71 0.00 0.85 -2.02 107.32 104.32 1xsf s GLY 53 Ca 0.47 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.99 1xsf s GLY 53 CO 0.27 0.51 0.00 0.61 0.00 0.00 0.00 173.10 174.49 1xsf n GLY 54 N 0.40 1.80 0.41 0.20 0.00 -0.06 -3.65 105.19 104.30 1xsf n GLY 54 Ca 0.03 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 45.95 1xsf n GLY 54 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xsf n VAL 55 N 0.00 0.00 -3.57 1.61 0.24 -1.26 -3.50 118.33 111.85 1xsf n VAL 55 Ca 0.00 -0.21 -0.21 0.00 -2.04 0.00 0.00 64.34 61.88 1xsf n VAL 55 Cb 0.00 0.54 0.07 0.00 -1.47 0.00 0.00 33.84 32.98 1xsf n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xsf n GLN 56 N -0.10 -6.44 -4.35 7.34 6.02 -0.85 -4.96 117.38 114.04 1xsf n GLN 56 Ca 0.16 0.77 -0.20 0.00 -0.01 0.00 0.00 57.00 57.71 1xsf n GLN 56 Cb 0.37 -5.68 -0.11 0.00 1.02 0.00 0.00 30.24 25.84 1xsf n GLN 56 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1xsf s PHE 57 N -3.42 1.81 0.45 1.08 -0.71 -1.23 -4.74 117.98 111.21 1xsf s PHE 57 Ca 0.19 -0.50 -0.25 0.00 -1.04 0.00 0.00 56.93 55.33 1xsf s PHE 57 Cb -0.09 -0.86 -0.08 0.00 -1.21 0.00 0.00 43.02 40.79 1xsf s PHE 57 CO 0.76 0.38 1.29 0.34 -1.34 0.00 0.00 175.22 176.65 1xsf s ASP 58 N -3.03 6.05 0.39 1.98 2.15 -1.26 -2.13 116.67 120.82 1xsf s ASP 58 Ca 0.20 2.62 0.15 0.00 0.43 0.00 0.00 52.55 55.95 1xsf s ASP 58 Cb -0.03 -2.63 1.00 0.00 -0.30 0.00 0.00 42.92 40.95 1xsf s ASP 58 CO 0.07 -1.02 1.84 -0.61 -0.17 0.00 0.00 175.17 175.28 1xsf h GLN 59 N 2.29 0.49 -0.43 4.34 5.75 -0.72 0.54 115.11 127.37 1xsf h GLN 59 Ca -0.50 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 57.88 1xsf h GLN 59 Cb 1.26 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.69 1xsf h GLN 59 CO 0.61 0.32 -0.11 0.78 -2.65 0.00 0.00 178.83 177.78 1xsf h GLY 60 N 0.50 0.90 1.26 2.39 0.00 -1.90 0.37 103.07 106.59 1xsf h GLY 60 Ca 0.50 -0.75 -0.18 0.00 0.00 0.00 0.00 47.33 46.90 1xsf h GLY 60 CO -0.22 0.68 -0.57 -0.84 0.00 0.00 0.00 176.54 175.59 1xsf h THR 61 N 0.66 1.29 -0.41 4.70 2.02 -1.45 0.19 112.91 119.91 1xsf h THR 61 Ca 0.11 -1.78 0.06 0.00 0.77 0.00 0.00 66.41 65.57 1xsf h THR 61 Cb 0.64 1.70 -0.05 0.00 -1.74 0.00 0.00 68.15 68.71 1xsf h THR 61 CO 0.04 0.57 0.11 -0.25 0.37 0.00 0.00 175.52 176.37 1xsf h TRP 62 N 0.58 0.20 -0.25 3.16 2.91 0.18 -0.66 115.95 122.07 1xsf h TRP 62 Ca 0.01 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 59.99 1xsf h TRP 62 Cb 1.16 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.77 1xsf h TRP 62 CO 0.06 0.05 -0.09 1.49 -1.03 0.00 0.00 178.44 178.93 1xsf h GLU 63 N 0.26 0.40 -0.53 2.65 4.81 -0.05 0.28 114.58 122.41 1xsf h GLU 63 Ca 0.20 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1xsf h GLU 63 Cb 0.21 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1xsf h GLU 63 CO -0.23 0.51 0.14 0.00 -0.73 0.00 0.00 179.01 178.70 1xsf h ALA 64 N 1.53 0.69 0.00 2.92 0.00 0.86 -0.27 119.26 124.98 1xsf h ALA 64 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xsf h ALA 64 Cb 0.40 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xsf h ALA 64 CO 0.02 0.37 0.00 -0.91 0.00 0.00 0.00 179.25 178.73 1xsf h ASN 65 N 0.73 0.00 -0.54 0.00 2.35 -1.23 -3.47 115.58 113.41 1xsf h ASN 65 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1xsf h ASN 65 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1xsf h ASN 65 CO -0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 1xsf n GLY 66 N 0.48 0.58 0.16 2.83 0.00 -0.11 -5.00 105.19 104.12 1xsf n GLY 66 Ca 0.02 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.64 -3.30 103.07 101.11 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 -0.03 1.41 0.00 0.00 0.00 176.54 177.92 1xsf h LEU 68 N 0.00 0.00 -0.97 3.11 4.07 -1.78 0.37 115.31 120.10 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 0.85 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.58 1xsf h LEU 68 CO 0.00 0.03 -0.50 0.08 -1.08 0.00 0.00 178.44 176.97 1xsf h ARG 69 N 0.00 0.00 0.08 1.13 0.11 -1.97 -2.36 114.38 111.36 1xsf h ARG 69 Ca -0.00 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.83 1xsf h ARG 69 Cb 0.11 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.18 1xsf h ARG 69 CO 0.00 0.50 -1.13 1.88 0.10 0.00 0.00 179.97 181.33 1xsf h TYR 70 N 0.00 0.37 0.00 4.08 -1.99 -0.63 -3.47 116.97 115.33 1xsf h TYR 70 Ca -0.00 -0.26 0.00 0.00 2.00 0.00 0.00 58.73 60.47 1xsf h TYR 70 Cb 0.91 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.62 1xsf h TYR 70 CO 0.00 1.17 0.00 0.00 -0.00 0.00 0.00 178.16 179.33 1xsf n ALA 71 N -2.48 0.00 0.00 3.88 0.00 0.16 -4.61 120.51 117.45 1xsf n ALA 71 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1xsf n ALA 71 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.42 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 -3.81 0.00 -0.02 -1.03 -3.50 135.00 126.65 1xsf n PRO 72 Ca 0.00 0.20 -0.13 0.00 -2.02 0.00 0.00 63.50 61.56 1xsf n PRO 72 Cb 0.00 -1.54 -0.12 0.00 -0.02 0.00 0.00 33.50 31.82 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 -2.32 0.23 0.37 -0.52 1.70 -1.26 -4.79 118.95 112.36 1xsf s ARG 73 Ca 0.00 0.26 0.06 0.00 -0.47 0.00 0.00 55.73 55.58 1xsf s ARG 73 Cb 0.00 0.11 0.76 0.00 -0.57 0.00 0.00 34.95 35.25 1xsf s ARG 73 CO 0.00 -0.03 1.97 0.00 -1.08 0.00 0.00 175.30 176.16 1xsf h ALA 74 N 5.81 1.72 -0.04 7.88 0.00 -1.89 -1.62 119.26 131.12 1xsf h ALA 74 Ca -0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xsf h ALA 74 Cb 1.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1xsf h ALA 74 CO 0.39 0.18 0.00 -0.40 0.00 0.00 0.00 179.25 179.41 1xsf n ASP 75 N -4.48 0.66 -0.09 0.00 5.75 -1.26 -2.09 116.55 115.03 1xsf n ASP 75 Ca 0.10 -1.41 -0.13 0.00 -0.01 0.00 0.00 54.79 53.34 1xsf n ASP 75 Cb 0.22 -0.03 -0.14 0.00 -1.03 0.00 0.00 41.12 40.14 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 -0.41 1.25 -4.87 -2.12 7.94 -0.63 -4.77 117.00 113.39 1xsf n LEU 76 Ca 0.18 0.02 -0.30 0.00 -1.11 0.00 0.00 56.01 54.79 1xsf n LEU 76 Cb 0.19 -0.11 0.04 0.00 0.53 0.00 0.00 43.42 44.07 1xsf n LEU 76 CO 0.14 0.65 0.74 0.00 -1.11 0.00 0.00 177.39 177.81 1xsf s ALA 77 N -2.52 2.88 0.57 1.96 0.00 -0.89 -5.00 121.76 118.76 1xsf s ALA 77 Ca -0.18 -0.25 0.09 0.00 0.00 0.00 0.00 51.96 51.62 1xsf s ALA 77 Cb 0.07 -3.05 0.08 0.00 0.00 0.00 0.00 23.12 20.22 1xsf s ALA 77 CO 0.75 -1.09 0.74 0.95 0.00 0.00 0.00 175.76 177.12 1xsf s THR 78 N -3.29 2.13 0.24 0.00 -4.23 -1.26 -4.82 115.64 104.41 1xsf s THR 78 Ca 0.58 -1.05 -0.08 0.00 -1.18 0.00 0.00 61.69 59.95 1xsf s THR 78 Cb -0.11 -2.18 0.28 0.00 1.34 0.00 0.00 72.50 71.83 1xsf s THR 78 CO 0.53 0.00 1.63 0.03 -0.54 0.00 0.00 174.62 176.26 1xsf h ARG 79 N 0.25 0.07 -0.72 3.99 3.08 -1.96 0.10 114.38 119.20 1xsf h ARG 79 Ca -0.31 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.72 1xsf h ARG 79 Cb 1.29 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.29 1xsf h ARG 79 CO 0.43 0.04 0.39 1.05 -1.07 0.00 0.00 179.97 180.81 1xsf h GLU 80 N 0.07 1.01 0.04 0.04 4.11 -1.98 0.39 114.58 118.25 1xsf h GLU 80 Ca 0.39 -0.12 -0.00 0.00 0.07 0.00 0.00 59.36 59.70 1xsf h GLU 80 Cb 0.67 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1xsf h GLU 80 CO -0.69 0.76 -0.02 0.93 0.07 0.00 0.00 179.01 180.06 1xsf h GLU 81 N 0.99 -0.05 -0.94 1.06 3.07 -1.43 -2.12 114.58 115.18 1xsf h GLU 81 Ca 0.25 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 59.17 1xsf h GLU 81 Cb 0.05 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 27.91 1xsf h GLU 81 CO -0.04 0.24 0.60 1.96 -1.40 0.00 0.00 179.01 180.37 1xsf h GLN 82 N -0.33 1.09 -0.40 2.33 4.20 -0.57 -1.02 115.11 120.40 1xsf h GLN 82 Ca -0.00 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1xsf h GLN 82 Cb 0.31 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1xsf h GLN 82 CO 0.01 0.72 0.21 0.82 -0.67 0.00 0.00 178.83 179.92 1xsf h ILE 83 N 1.12 1.16 -0.47 2.54 2.04 -0.24 -0.69 117.51 122.96 1xsf h ILE 83 Ca 0.39 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 1xsf h ILE 83 Cb 0.11 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1xsf h ILE 83 CO -0.15 0.17 0.23 0.00 0.00 0.00 0.00 178.15 178.39 1xsf h ALA 84 N 1.07 0.61 -0.06 1.87 0.00 -0.52 0.50 119.26 122.73 1xsf h ALA 84 Ca 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xsf h ALA 84 Cb 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1xsf h ALA 84 CO -0.02 0.17 -0.01 0.28 0.00 0.00 0.00 179.25 179.67 1xsf h VAL 85 N 0.62 1.29 -0.07 0.00 2.07 -1.17 -2.48 116.25 116.52 1xsf h VAL 85 Ca 0.16 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 1xsf h VAL 85 Cb 0.11 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1xsf h VAL 85 CO -0.02 0.25 -0.22 0.00 0.02 0.00 0.00 177.57 177.60 1xsf h ALA 86 N 0.67 1.52 0.00 1.67 0.00 -0.99 -2.44 119.26 119.68 1xsf h ALA 86 Ca 0.02 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1xsf h ALA 86 Cb 0.40 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1xsf h ALA 86 CO 0.01 0.35 -0.46 1.05 0.00 0.00 0.00 179.25 180.20 1xsf h GLU 87 N 0.10 0.00 -0.86 0.00 -0.00 0.14 0.50 114.58 114.46 1xsf h GLU 87 Ca 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.35 1xsf h GLU 87 Cb 0.44 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.15 1xsf h GLU 87 CO 0.03 0.46 0.43 0.28 -0.00 0.00 0.00 179.01 180.21 1xsf h VAL 88 N 0.00 1.26 -0.35 -1.06 2.07 -0.97 -2.93 116.25 114.27 1xsf h VAL 88 Ca -0.00 -0.71 -0.09 0.00 0.82 0.00 0.00 66.70 66.72 1xsf h VAL 88 Cb 0.95 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1xsf h VAL 88 CO 0.06 0.31 -0.12 0.74 0.02 0.00 0.00 177.57 178.57 1xsf h THR 89 N 1.22 1.28 -0.44 2.57 2.02 -0.78 -3.15 112.91 115.64 1xsf h THR 89 Ca 0.30 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 66.26 1xsf h THR 89 Cb 0.10 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1xsf h THR 89 CO -0.04 0.40 0.29 0.08 0.37 0.00 0.00 175.52 176.62 1xsf h ARG 90 N 0.50 0.58 0.00 6.66 0.11 -0.03 -1.55 114.38 120.64 1xsf h ARG 90 Ca 0.08 -0.04 -0.03 0.00 0.10 0.00 0.00 59.98 60.10 1xsf h ARG 90 Cb 0.65 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 31.60 1xsf h ARG 90 CO 0.04 0.38 -0.12 1.37 0.10 0.00 0.00 179.97 181.75 1xsf h LEU 91 N 0.59 0.00 0.00 0.08 8.10 -1.47 0.34 115.31 122.96 1xsf h LEU 91 Ca 0.16 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 58.01 1xsf h LEU 91 Cb -0.06 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.14 1xsf h LEU 91 CO -0.03 0.12 -0.79 0.03 -4.11 0.00 0.00 178.44 173.66 1xsf h ARG 92 N 0.00 0.00 0.00 0.17 3.08 -1.34 -3.41 114.38 112.87 1xsf h ARG 92 Ca -0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 1xsf h ARG 92 Cb 0.75 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.76 1xsf h ARG 92 CO 0.02 0.89 -2.05 0.00 -1.07 0.00 0.00 179.97 177.76 1xsf n GLN 93 N -4.51 0.66 -1.19 0.04 0.00 -0.98 -5.01 117.38 106.40 1xsf n GLN 93 Ca -0.23 -0.03 0.00 0.00 0.00 0.00 0.00 57.00 56.74 1xsf n GLN 93 Cb 0.57 -1.58 0.00 0.00 0.00 0.00 0.00 30.24 29.23 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 1.50 0.98 2.73 2.61 0.00 0.11 -3.72 105.19 109.39 1xsf n GLY 94 Ca -0.18 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.18 0.00 0.16 1.61 7.02 -1.23 -4.74 117.44 119.08 1xsf n TRP 95 Ca 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.50 1xsf n TRP 95 Cb 0.24 -1.78 0.27 0.00 -2.42 0.00 0.00 31.31 27.61 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 2.00 6.99 0.00 -1.91 -2.90 103.07 107.26 1xsf h GLY 96 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.18 1xsf h GLY 96 CO 0.08 0.00 -0.46 0.00 0.00 0.00 0.00 176.54 176.16 1xsf h ALA 97 N 1.51 1.16 -2.20 3.60 0.00 -1.88 -3.37 119.26 118.09 1xsf h ALA 97 Ca -0.00 -0.42 -0.73 0.00 0.00 0.00 0.00 54.91 53.75 1xsf h ALA 97 Cb 0.96 -0.07 -0.22 0.00 0.00 0.00 0.00 17.79 18.45 1xsf h ALA 97 CO 0.06 0.58 -0.22 -1.58 0.00 0.00 0.00 179.25 178.09 1xsf s TRP 98 N -3.87 3.20 0.00 0.00 0.51 -1.09 -5.02 118.94 112.66 1xsf s TRP 98 Ca -0.02 -0.94 0.00 0.00 -2.12 0.00 0.00 56.10 53.02 1xsf s TRP 98 Cb 0.13 -3.41 0.00 0.00 -0.81 0.00 0.00 33.47 29.38 1xsf s TRP 98 CO 0.73 -0.91 0.00 -2.30 -0.51 0.00 0.00 176.95 173.96 1xsf n PRO 99 N 5.44 0.00 0.15 4.98 -0.02 -1.26 -3.40 135.00 140.89 1xsf n PRO 99 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1xsf n PRO 99 Cb 0.43 -0.16 0.24 0.00 -0.02 0.00 0.00 33.50 33.99 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 1.36 -0.25 -1.45 2.07 -1.95 -3.22 116.25 112.80 1xsf h VAL 100 Ca 0.00 -1.84 -0.17 0.00 0.82 0.00 0.00 66.70 65.51 1xsf h VAL 100 Cb 0.00 2.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1xsf h VAL 100 CO 0.00 0.52 -0.54 0.00 0.02 0.00 0.00 177.57 177.57 1xsf h ALA 102 N 0.81 0.38 -0.65 0.00 0.00 -1.57 0.14 119.26 118.37 1xsf h ALA 102 Ca 0.02 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1xsf h ALA 102 Cb 1.12 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1xsf h ALA 102 CO 0.11 0.39 0.33 0.00 0.00 0.00 0.00 179.25 180.08 1xsf h ALA 103 N 0.68 1.36 -0.14 0.00 0.00 -1.55 0.32 119.26 119.92 1xsf h ALA 103 Ca 0.04 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1xsf h ALA 103 Cb 0.85 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1xsf h ALA 103 CO 0.07 0.51 -0.56 0.00 0.00 0.00 0.00 179.25 179.27 1xsf h ARG 104 N 0.91 0.43 0.00 0.00 2.47 -1.04 -3.27 114.38 113.88 1xsf h ARG 104 Ca 0.23 -0.27 -0.06 0.00 -1.26 0.00 0.00 59.98 58.62 1xsf h ARG 104 Cb 0.07 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 1xsf h ARG 104 CO -0.03 0.87 -0.55 0.00 0.56 0.00 0.00 179.97 180.82 1xsf h ALA 105 N 1.07 0.75 0.00 0.04 0.00 0.22 -3.48 119.26 117.86 1xsf h ALA 105 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xsf h ALA 105 Cb 1.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1xsf h ALA 105 CO 0.10 0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.08 1xsf n GLY 106 N 1.19 0.53 3.75 0.00 0.00 0.84 -4.25 105.19 107.25 1xsf n GLY 106 Ca 0.01 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.50 2.65 0.00 4.61 0.00 0.38 -4.94 121.76 123.96 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 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1xsf s ALA 107 CO 0.00 -1.38 0.00 2.89 0.00 0.00 0.00 175.76 177.27