#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pjs s VAL 3 N 0.00 4.93 -0.12 0.00 1.01 -1.26 -4.94 120.40 120.02 2pjs s VAL 3 Ca 0.00 1.43 0.01 0.00 0.00 0.00 0.00 61.98 63.42 2pjs s VAL 3 Cb 0.00 -4.05 -0.24 0.00 0.00 0.00 0.00 36.38 32.08 2pjs s VAL 3 CO 0.00 0.03 0.37 0.54 0.00 0.00 0.00 175.10 176.05 2pjs n ARG 4 N 5.36 0.71 -3.66 2.72 1.74 -1.26 -4.84 116.66 117.43 2pjs n ARG 4 Ca 0.02 0.25 -0.15 0.00 -0.77 0.00 0.00 57.85 57.20 2pjs n ARG 4 Cb 0.49 -1.70 -0.08 0.00 -1.02 0.00 0.00 32.46 30.15 2pjs n ARG 4 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2pjs s ARG 5 N -2.56 0.79 -0.13 5.56 0.52 -1.26 -4.73 118.95 117.14 2pjs s ARG 5 Ca -0.18 0.20 0.01 0.00 -0.52 0.00 0.00 55.73 55.24 2pjs s ARG 5 Cb 0.07 0.37 0.02 0.00 0.52 0.00 0.00 34.95 35.93 2pjs s ARG 5 CO 0.77 -0.21 -0.16 0.08 0.02 0.00 0.00 175.30 175.81 2pjs s VAL 6 N -0.88 1.62 -0.11 3.52 1.01 -1.26 -5.03 120.40 119.26 2pjs s VAL 6 Ca -0.09 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2pjs s VAL 6 Cb -0.03 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.88 2pjs s VAL 6 CO 0.05 0.47 -0.10 -0.69 0.00 0.00 0.00 175.10 174.83 2pjs s VAL 7 N 1.21 1.15 0.41 2.92 1.01 -1.26 -4.88 120.40 120.97 2pjs s VAL 7 Ca -0.01 -0.40 -0.24 0.00 0.00 0.00 0.00 61.98 61.33 2pjs s VAL 7 Cb -0.14 -1.12 -0.09 0.00 0.00 0.00 0.00 36.38 35.03 2pjs s VAL 7 CO -0.06 0.38 1.08 0.00 0.00 0.00 0.00 175.10 176.50 2pjs s ALA 8 N 1.41 3.07 -0.11 5.51 0.00 -1.26 -5.04 121.76 125.34 2pjs s ALA 8 Ca 0.00 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.75 2pjs s ALA 8 Cb -0.13 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 2pjs s ALA 8 CO -0.06 -0.32 -0.20 -0.80 0.00 0.00 0.00 175.76 174.39 2pjs s ASN 9 N -1.49 3.42 -0.22 0.00 0.01 -1.26 -5.10 114.94 110.30 2pjs s ASN 9 Ca 0.59 -0.48 -0.07 0.00 -0.71 0.00 0.00 52.86 52.19 2pjs s ASN 9 Cb -0.24 -1.47 -0.03 0.00 0.41 0.00 0.00 41.25 39.92 2pjs s ASN 9 CO 0.30 0.16 0.06 -0.63 -1.51 0.00 0.00 177.10 175.48 2pjs s ILE 10 N 0.33 4.42 0.02 0.60 1.01 -1.26 -5.08 121.20 121.24 2pjs s ILE 10 Ca -0.16 -0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.04 2pjs s ILE 10 Cb -0.17 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 2pjs s ILE 10 CO 0.08 0.39 1.13 0.00 0.00 0.00 0.00 174.94 176.54 2pjs s ALA 11 N 1.11 3.34 -0.23 9.38 0.00 -1.26 -5.03 121.76 129.07 2pjs s ALA 11 Ca 0.04 0.71 -0.25 0.00 0.00 0.00 0.00 51.96 52.46 2pjs s ALA 11 Cb -0.14 -3.43 0.07 0.00 0.00 0.00 0.00 23.12 19.62 2pjs s ALA 11 CO 0.03 -0.43 0.70 -0.08 0.00 0.00 0.00 175.76 175.98 2pjs s THR 12 N 1.25 0.00 0.61 0.00 -1.32 -1.26 -5.01 115.64 109.91 2pjs s THR 12 Ca 0.56 -0.00 0.36 0.00 -1.21 0.00 0.00 61.69 61.40 2pjs s THR 12 Cb -0.26 -0.98 0.39 0.00 -1.51 0.00 0.00 72.50 70.15 2pjs s THR 12 CO 0.27 -0.00 2.30 -0.65 -2.21 0.00 0.00 174.62 174.33 2pjs h PRO 13 N 4.75 0.00 -2.55 7.08 0.11 -2.00 -3.38 132.00 136.00 2pjs h PRO 13 Ca -0.29 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.25 2pjs h PRO 13 Cb 1.16 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.88 2pjs h PRO 13 CO 0.11 0.00 -0.84 -2.00 -0.21 0.00 0.00 178.00 175.06 2pjs s GLU 14 N -4.40 0.54 0.59 1.05 2.56 -1.26 -5.00 118.70 112.79 2pjs s GLU 14 Ca -0.05 -1.29 0.29 0.00 0.00 0.00 0.00 54.97 53.92 2pjs s GLU 14 Cb 0.14 -1.26 1.55 0.00 2.00 0.00 0.00 34.13 36.56 2pjs s GLU 14 CO 0.49 -1.21 1.97 -1.35 -0.56 0.00 0.00 175.26 174.60 2pjs h PRO 15 N 7.03 0.00 0.00 4.30 0.11 -1.89 -2.12 132.00 139.43 2pjs h PRO 15 Ca 0.06 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 2pjs h PRO 15 Cb 0.97 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 2pjs h PRO 15 CO 0.26 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.03 2pjs h ALA 16 N 1.57 1.47 0.00 -0.75 0.00 -1.94 -0.99 119.26 118.62 2pjs h ALA 16 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2pjs h ALA 16 Cb 0.89 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2pjs h ALA 16 CO -0.00 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.27 2pjs h ARG 17 N 0.00 0.00 0.00 0.00 3.08 -1.83 -2.44 114.38 113.19 2pjs h ARG 17 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2pjs h ARG 17 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2pjs h ARG 17 CO 0.00 0.00 -0.37 0.00 -1.07 0.00 0.00 179.97 178.53 2pjs h ALA 18 N 2.13 1.00 -0.68 0.04 0.00 -1.39 -3.29 119.26 117.05 2pjs h ALA 18 Ca 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.60 2pjs h ALA 18 Cb 0.21 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2pjs h ALA 18 CO 0.00 0.47 0.45 0.37 0.00 0.00 0.00 179.25 180.54 2pjs h GLN 19 N 0.00 0.81 -0.20 0.00 5.75 -1.63 -0.48 115.11 119.36 2pjs h GLN 19 Ca -0.00 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.47 2pjs h GLN 19 Cb 0.90 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.26 2pjs h GLN 19 CO 0.05 0.54 0.14 0.00 -2.65 0.00 0.00 178.83 176.90 2pjs h ALA 20 N 1.60 1.97 0.00 3.38 0.00 -1.78 0.13 119.26 124.55 2pjs h ALA 20 Ca 0.27 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 2pjs h ALA 20 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2pjs h ALA 20 CO -0.07 0.01 -1.02 0.34 0.00 0.00 0.00 179.25 178.50 2pjs n PHE 21 N -4.50 0.00 0.00 0.00 -0.00 -0.69 -3.61 117.46 108.66 2pjs n PHE 21 Ca 0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.34 2pjs n PHE 21 Cb 0.15 -0.39 0.02 0.00 -0.00 0.00 0.00 39.48 39.25 2pjs n PHE 21 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.76 178.64 2pjs h TYR 22 N -0.60 0.77 0.00 -5.13 0.05 -1.24 -1.46 116.97 109.36 2pjs h TYR 22 Ca -0.13 -0.30 -0.00 0.00 0.05 0.00 0.00 58.73 58.35 2pjs h TYR 22 Cb 0.84 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.45 2pjs h TYR 22 CO -0.19 1.07 -0.00 0.78 -1.05 0.00 0.00 178.16 178.76 2pjs h GLY 23 N 0.99 -0.00 1.79 3.88 0.00 -1.41 -2.98 103.07 105.34 2pjs h GLY 23 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 2pjs h GLY 23 CO 0.12 -0.00 -0.73 -0.55 0.00 0.00 0.00 176.54 175.39 2pjs h ASP 24 N -0.57 0.25 0.00 0.19 3.32 -0.89 -1.17 116.42 117.54 2pjs h ASP 24 Ca -0.00 -0.17 -0.33 0.00 0.02 0.00 0.00 57.03 56.56 2pjs h ASP 24 Cb 0.00 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.43 2pjs h ASP 24 CO 0.00 0.89 -1.79 -0.38 -1.72 0.00 0.00 179.24 176.24 2pjs n ILE 25 N -3.77 1.53 1.04 0.35 5.41 -0.88 -4.59 119.36 118.45 2pjs n ILE 25 Ca -0.03 -0.17 0.13 0.00 1.00 0.00 0.00 62.75 63.68 2pjs n ILE 25 Cb 0.70 -1.98 0.40 0.00 -0.71 0.00 0.00 39.64 38.05 2pjs n ILE 25 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2pjs n LEU 26 N -4.36 0.35 -2.00 1.39 4.77 -0.60 -4.91 117.00 111.63 2pjs n LEU 26 Ca -0.41 0.16 -0.02 0.00 -0.03 0.00 0.00 56.01 55.71 2pjs n LEU 26 Cb 0.76 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 2pjs n LEU 26 CO 0.12 0.08 -0.28 0.61 -1.33 0.00 0.00 177.39 176.59 2pjs n GLY 27 N 1.48 -3.88 3.42 -0.72 0.00 -0.44 -4.96 105.19 100.08 2pjs n GLY 27 Ca 0.07 0.48 -0.09 0.00 0.00 0.00 0.00 46.02 46.47 2pjs n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pjs s PRO 29 N -0.82 1.26 0.05 1.61 0.04 -1.14 -4.86 135.00 131.14 2pjs s PRO 29 Ca -0.10 -1.08 -0.32 0.00 0.04 0.00 0.00 61.00 59.54 2pjs s PRO 29 Cb 0.01 0.43 -0.11 0.00 0.04 0.00 0.00 34.50 34.87 2pjs s PRO 29 CO 0.35 -0.49 1.85 0.28 0.04 0.00 0.00 177.00 179.03 2pjs n VAL 30 N -0.27 0.47 1.15 -0.36 0.31 -1.26 -1.53 118.33 116.85 2pjs n VAL 30 Ca -0.08 -0.09 0.13 0.00 -0.01 0.00 0.00 64.34 64.29 2pjs n VAL 30 Cb 0.63 -2.03 0.23 0.00 -0.91 0.00 0.00 33.84 31.75 2pjs n VAL 30 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pjs n ALA 31 N 6.08 2.61 -3.63 3.52 0.00 0.11 -4.88 120.51 124.32 2pjs n ALA 31 Ca 0.20 -0.60 0.01 0.00 0.00 0.00 0.00 53.44 53.05 2pjs n ALA 31 Cb 0.35 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 18.81 2pjs n ALA 31 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2pjs s ASP 33 N -2.06 -0.17 0.00 0.00 -1.08 -1.26 -5.00 116.67 107.10 2pjs s ASP 33 Ca 0.30 0.27 0.00 0.00 -0.52 0.00 0.00 52.55 52.60 2pjs s ASP 33 Cb 0.20 1.08 0.00 0.00 -1.46 0.00 0.00 42.92 42.74 2pjs s ASP 33 CO 0.34 -0.04 0.67 1.41 0.52 0.00 0.00 175.17 178.07 2pjs n HIS 34 N 3.30 0.00 -0.72 -5.34 8.25 -0.09 -5.01 115.22 115.61 2pjs n HIS 34 Ca -0.17 -0.17 0.08 0.00 -0.26 0.00 0.00 57.72 57.20 2pjs n HIS 34 Cb 0.56 -0.02 0.38 0.00 1.12 0.00 0.00 29.99 32.04 2pjs n HIS 34 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pjs n GLY 35 N -0.17 2.82 0.29 -1.41 0.00 -1.26 -4.51 105.19 100.96 2pjs n GLY 35 Ca 0.00 -0.87 0.19 0.00 0.00 0.00 0.00 46.02 45.34 2pjs n GLY 35 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2pjs h TRP 36 N 3.96 0.00 -3.55 1.61 5.08 -2.01 -3.43 115.95 117.60 2pjs h TRP 36 Ca 0.00 0.00 -0.21 0.00 1.08 0.00 0.00 58.89 59.76 2pjs h TRP 36 Cb 1.73 0.00 -0.27 0.00 -3.00 0.00 0.00 29.16 27.62 2pjs h TRP 36 CO 0.94 0.00 -0.63 -1.50 -1.28 0.00 0.00 178.44 175.97 2pjs s ILE 37 N -3.84 -0.00 -0.03 0.12 2.07 -1.26 -4.97 121.20 113.28 2pjs s ILE 37 Ca -0.01 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.25 2pjs s ILE 37 Cb 0.10 -0.11 0.01 0.00 0.13 0.00 0.00 42.46 42.59 2pjs s ILE 37 CO 0.46 0.00 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.73 2pjs s VAL 38 N 0.04 0.71 -0.15 4.00 1.01 -1.26 -0.92 120.40 123.83 2pjs s VAL 38 Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 2pjs s VAL 38 Cb -0.01 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 2pjs s VAL 38 CO 0.00 0.24 -0.12 -0.89 0.00 0.00 0.00 175.10 174.33 2pjs s THR 39 N 0.48 3.05 -0.05 3.92 2.01 -1.26 -5.01 115.64 118.78 2pjs s THR 39 Ca -0.07 -0.65 -0.11 0.00 0.31 0.00 0.00 61.69 61.18 2pjs s THR 39 Cb -0.11 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.05 2pjs s THR 39 CO 0.01 0.51 0.28 -1.00 -0.69 0.00 0.00 174.62 173.72 2pjs s HIS 40 N 0.62 3.66 0.04 4.92 3.76 -1.26 0.08 115.29 127.11 2pjs s HIS 40 Ca -0.07 0.75 -0.07 0.00 -0.15 0.00 0.00 55.06 55.52 2pjs s HIS 40 Cb -0.15 -2.11 -0.00 0.00 1.11 0.00 0.00 32.58 31.42 2pjs s HIS 40 CO 0.03 0.68 0.15 0.00 -0.85 0.00 0.00 174.74 174.75 2pjs s ALA 41 N -1.08 -0.20 0.25 -1.40 0.00 -0.58 -4.86 121.76 113.89 2pjs s ALA 41 Ca 0.20 -0.45 0.06 0.00 0.00 0.00 0.00 51.96 51.77 2pjs s ALA 41 Cb -0.14 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 2pjs s ALA 41 CO 0.10 -0.36 0.27 0.45 0.00 0.00 0.00 175.76 176.22 2pjs s SER 42 N -2.20 5.90 0.00 0.00 0.15 -1.26 -2.89 113.70 113.41 2pjs s SER 42 Ca -0.04 -0.10 0.19 0.00 0.70 0.00 0.00 55.95 56.70 2pjs s SER 42 Cb -0.00 -1.62 1.14 0.00 -1.71 0.00 0.00 66.02 63.82 2pjs s SER 42 CO -0.05 -0.05 1.58 -2.65 1.20 0.00 0.00 173.24 173.27 2pjs n PRO 43 N -1.29 0.75 -4.01 5.44 -0.02 -1.26 -4.90 135.00 129.72 2pjs n PRO 43 Ca -0.08 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.15 2pjs n PRO 43 Cb 0.57 -1.40 -0.03 0.00 -0.02 0.00 0.00 33.50 32.62 2pjs n PRO 43 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pjs s LEU 44 N -1.79 4.15 0.11 2.45 1.02 -1.26 -5.12 118.68 118.24 2pjs s LEU 44 Ca 0.29 0.02 0.10 0.00 0.02 0.00 0.00 54.13 54.56 2pjs s LEU 44 Cb 0.13 -2.71 -0.04 0.00 0.02 0.00 0.00 46.19 43.59 2pjs s LEU 44 CO 0.22 0.01 -0.25 -1.61 0.02 0.00 0.00 176.35 174.74 2pjs s GLU 45 N -3.49 1.41 0.26 1.70 0.41 -1.26 -5.15 118.70 112.57 2pjs s GLU 45 Ca 0.33 -1.26 -0.09 0.00 -0.41 0.00 0.00 54.97 53.55 2pjs s GLU 45 Cb -0.10 -1.80 -0.01 0.00 -1.78 0.00 0.00 34.13 30.45 2pjs s GLU 45 CO 0.27 0.43 0.42 0.00 -0.49 0.00 0.00 175.26 175.89 2pjs s ALA 46 N -1.03 0.20 0.39 5.21 0.00 -1.26 -5.14 121.76 120.13 2pjs s ALA 46 Ca 0.12 -1.15 -0.26 0.00 0.00 0.00 0.00 51.96 50.67 2pjs s ALA 46 Cb -0.10 1.14 -0.11 0.00 0.00 0.00 0.00 23.12 24.05 2pjs s ALA 46 CO 0.05 -0.80 1.26 0.72 0.00 0.00 0.00 175.76 176.99 2pjs n HIS 47 N -0.40 2.13 -2.11 0.00 8.25 -1.26 -4.90 115.22 116.92 2pjs n HIS 47 Ca -0.01 0.53 -0.42 0.00 -0.26 0.00 0.00 57.72 57.56 2pjs n HIS 47 Cb 0.63 -2.38 -0.03 0.00 1.12 0.00 0.00 29.99 29.32 2pjs n HIS 47 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pjs s ALA 48 N -1.16 3.62 0.18 -1.41 0.00 -1.26 -4.99 121.76 116.74 2pjs s ALA 48 Ca 0.59 1.19 -0.14 0.00 0.00 0.00 0.00 51.96 53.60 2pjs s ALA 48 Cb -0.54 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.05 2pjs s ALA 48 CO 0.60 -0.65 0.42 1.14 0.00 0.00 0.00 175.76 177.27 2pjs s GLN 49 N 0.72 1.28 -0.05 0.00 -2.07 -1.26 -4.95 119.66 113.32 2pjs s GLN 49 Ca 0.64 -0.99 -0.16 0.00 -1.82 0.00 0.00 55.36 53.03 2pjs s GLN 49 Cb -0.39 0.46 0.03 0.00 -1.09 0.00 0.00 33.01 32.02 2pjs s GLN 49 CO 0.33 -0.51 0.36 0.54 -1.32 0.00 0.00 175.29 174.70 2pjs s VAL 50 N -3.91 0.04 0.21 3.63 0.11 -1.26 -4.87 120.40 114.35 2pjs s VAL 50 Ca 0.12 -0.30 0.09 0.00 -2.93 0.00 0.00 61.98 58.96 2pjs s VAL 50 Cb 0.01 -0.63 -0.05 0.00 -1.53 0.00 0.00 36.38 34.18 2pjs s VAL 50 CO -0.02 -0.17 -0.18 -0.44 -3.33 0.00 0.00 175.10 170.97 2pjs s SER 51 N -0.90 2.94 -0.03 3.54 0.01 -1.26 -5.13 113.70 112.87 2pjs s SER 51 Ca -0.10 -0.97 -0.01 0.00 1.31 0.00 0.00 55.95 56.19 2pjs s SER 51 Cb -0.04 -0.20 0.03 0.00 0.21 0.00 0.00 66.02 66.02 2pjs s SER 51 CO 0.04 -0.05 0.04 -0.36 0.41 0.00 0.00 173.24 173.32 2pjs s PHE 52 N -2.49 0.09 -0.08 2.43 0.08 -1.26 -5.14 117.98 111.60 2pjs s PHE 52 Ca 0.22 0.19 -0.07 0.00 0.12 0.00 0.00 56.93 57.39 2pjs s PHE 52 Cb -0.04 -0.41 0.02 0.00 -0.57 0.00 0.00 43.02 42.03 2pjs s PHE 52 CO 0.09 -0.16 0.22 0.00 -0.10 0.00 0.00 175.22 175.27 2pjs s ALA 53 N 1.74 -0.54 -0.09 5.36 0.00 -1.26 -5.03 121.76 121.95 2pjs s ALA 53 Ca -0.00 0.67 0.20 0.00 0.00 0.00 0.00 51.96 52.82 2pjs s ALA 53 Cb -0.12 -0.40 0.46 0.00 0.00 0.00 0.00 23.12 23.06 2pjs s ALA 53 CO -0.03 -0.12 1.63 -0.09 0.00 0.00 0.00 175.76 177.15 2pjs h ARG 54 N 6.01 0.00 -2.80 0.00 2.43 -2.00 -3.48 114.38 114.54 2pjs h ARG 54 Ca -0.28 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 58.99 2pjs h ARG 54 Cb 1.19 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.68 2pjs h ARG 54 CO 0.37 0.31 0.31 -1.83 -1.51 0.00 0.00 179.97 177.62 2pjs s GLU 55 N -3.28 1.61 0.00 0.20 -1.05 -1.26 -4.89 118.70 110.04 2pjs s GLU 55 Ca 0.03 -0.89 0.31 0.00 -0.15 0.00 0.00 54.97 54.26 2pjs s GLU 55 Cb 0.08 0.55 1.59 0.00 -0.44 0.00 0.00 34.13 35.91 2pjs s GLU 55 CO 0.69 -0.74 2.08 0.41 0.95 0.00 0.00 175.26 178.65 2pjs n GLY 56 N -0.47 -1.13 0.00 -3.83 0.00 0.38 -4.64 105.19 95.50 2pjs n GLY 56 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2pjs n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pjs n GLY 57 N 1.20 1.97 2.41 -0.02 0.00 -1.26 -4.81 105.19 104.68 2pjs n GLY 57 Ca 0.17 -1.54 -0.18 0.00 0.00 0.00 0.00 46.02 44.47 2pjs n GLY 57 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2pjs n SER 58 N -0.02 -5.09 0.00 1.61 7.64 -1.26 -2.18 113.62 114.32 2pjs n SER 58 Ca 0.00 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2pjs n SER 58 Cb 0.00 -4.41 0.00 0.00 -1.01 0.00 0.00 64.21 58.79 2pjs n SER 58 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pjs n GLY 59 N -0.64 0.74 3.76 0.23 0.00 -1.26 -5.04 105.19 102.99 2pjs n GLY 59 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 2pjs n GLY 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pjs s THR 60 N -2.83 3.15 0.76 2.61 -4.23 -0.93 -4.85 115.64 109.32 2pjs s THR 60 Ca 0.00 0.37 -0.14 0.00 -1.18 0.00 0.00 61.69 60.74 2pjs s THR 60 Cb 0.00 -2.94 0.06 0.00 1.34 0.00 0.00 72.50 70.96 2pjs s THR 60 CO 0.00 -0.49 1.21 -1.81 -0.54 0.00 0.00 174.62 172.99 2pjs s ASP 61 N -3.54 3.94 -0.04 3.99 1.01 -1.26 -0.47 116.67 120.31 2pjs s ASP 61 Ca 0.61 2.37 -0.30 0.00 0.71 0.00 0.00 52.55 55.94 2pjs s ASP 61 Cb -0.17 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.12 2pjs s ASP 61 CO 0.56 -2.43 1.51 -0.69 0.21 0.00 0.00 175.17 174.32 2pjs s VAL 62 N -2.04 3.66 0.44 -1.27 1.01 -1.26 -2.85 120.40 118.09 2pjs s VAL 62 Ca 0.74 0.94 -0.23 0.00 0.00 0.00 0.00 61.98 63.42 2pjs s VAL 62 Cb -0.29 -3.60 -0.08 0.00 0.00 0.00 0.00 36.38 32.41 2pjs s VAL 62 CO 0.48 -0.04 1.16 -2.16 0.00 0.00 0.00 175.10 174.53 2pjs s PRO 63 N 3.20 3.84 0.18 2.72 0.04 -1.26 -4.91 135.00 138.81 2pjs s PRO 63 Ca 0.67 1.78 -0.10 0.00 0.04 0.00 0.00 61.00 63.39 2pjs s PRO 63 Cb -0.32 -2.47 0.08 0.00 0.04 0.00 0.00 34.50 31.83 2pjs s PRO 63 CO 0.27 -0.48 1.68 -0.44 0.04 0.00 0.00 177.00 178.07 2pjs h ASP 64 N 2.20 0.98 -4.49 6.66 3.32 -0.61 -3.44 116.42 121.04 2pjs h ASP 64 Ca -0.49 -0.25 -0.31 0.00 0.02 0.00 0.00 57.03 56.00 2pjs h ASP 64 Cb 1.24 -0.26 -0.23 0.00 0.22 0.00 0.00 39.33 40.30 2pjs h ASP 64 CO 0.61 0.98 -0.75 -0.76 -1.72 0.00 0.00 179.24 177.60 2pjs s LEU 65 N -9.52 2.18 -0.16 1.55 1.43 -1.11 -5.04 118.68 108.02 2pjs s LEU 65 Ca -0.12 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 2pjs s LEU 65 Cb 0.13 -0.24 0.00 0.00 0.03 0.00 0.00 46.19 46.11 2pjs s LEU 65 CO 0.83 -0.11 -0.16 -0.44 0.23 0.00 0.00 176.35 176.71 2pjs s SER 66 N -1.17 3.60 -0.20 2.29 0.01 -1.26 -0.91 113.70 116.06 2pjs s SER 66 Ca -0.05 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 56.72 2pjs s SER 66 Cb -0.08 -1.56 0.04 0.00 0.21 0.00 0.00 66.02 64.64 2pjs s SER 66 CO 0.00 0.07 -0.09 -0.63 0.41 0.00 0.00 173.24 173.00 2pjs s ILE 67 N 0.91 1.58 -0.09 1.44 1.01 0.79 -4.98 121.20 121.86 2pjs s ILE 67 Ca -0.04 -1.01 -0.21 0.00 0.00 0.00 0.00 60.65 59.40 2pjs s ILE 67 Cb -0.15 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 2pjs s ILE 67 CO -0.02 0.13 0.60 -0.70 0.00 0.00 0.00 174.94 174.95 2pjs s GLU 68 N 1.42 4.39 0.13 2.79 2.12 -1.26 -1.52 118.70 126.77 2pjs s GLU 68 Ca -0.02 0.69 0.09 0.00 0.36 0.00 0.00 54.97 56.09 2pjs s GLU 68 Cb -0.17 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 2pjs s GLU 68 CO -0.08 0.12 -0.21 0.14 -0.54 0.00 0.00 175.26 174.68 2pjs s VAL 69 N 0.69 1.89 0.05 3.70 -7.23 -0.29 -4.95 120.40 114.27 2pjs s VAL 69 Ca 0.32 -1.74 -0.13 0.00 -1.81 0.00 0.00 61.98 58.63 2pjs s VAL 69 Cb -0.17 -1.77 -0.31 0.00 0.56 0.00 0.00 36.38 34.70 2pjs s VAL 69 CO 0.15 -0.12 1.08 -2.24 -0.31 0.00 0.00 175.10 173.66 2pjs h ASP 70 N 3.71 0.78 -3.41 4.85 3.04 -1.97 -3.40 116.42 120.01 2pjs h ASP 70 Ca -0.46 -0.77 -0.65 0.00 -3.24 0.00 0.00 57.03 51.91 2pjs h ASP 70 Cb 1.19 -0.25 -0.40 0.00 -1.04 0.00 0.00 39.33 38.83 2pjs h ASP 70 CO 0.44 1.59 -0.45 0.54 -2.04 0.00 0.00 179.24 179.32 2pjs s ASN 71 N -7.43 5.06 0.15 4.15 4.22 -1.26 -4.95 114.94 114.89 2pjs s ASN 71 Ca -0.08 -3.65 -0.16 0.00 -2.14 0.00 0.00 52.86 46.83 2pjs s ASN 71 Cb 0.05 -1.72 0.03 0.00 1.28 0.00 0.00 41.25 40.90 2pjs s ASN 71 CO 0.93 -0.15 1.79 0.15 -2.04 0.00 0.00 177.10 177.79 2pjs h PHE 72 N 5.80 0.42 -0.61 1.54 3.57 -1.95 -2.59 116.94 123.11 2pjs h PHE 72 Ca 0.11 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 2pjs h PHE 72 Cb 0.80 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 2pjs h PHE 72 CO 0.67 0.24 0.16 -0.44 -2.23 0.00 0.00 178.31 176.72 2pjs h ASP 73 N 0.45 0.88 -0.30 0.41 3.32 -1.99 -0.16 116.42 119.03 2pjs h ASP 73 Ca 0.15 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2pjs h ASP 73 Cb 0.01 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 2pjs h ASP 73 CO -0.07 0.85 0.16 -0.33 -1.72 0.00 0.00 179.24 178.13 2pjs h GLU 74 N 0.91 0.42 -0.55 3.56 5.08 -1.94 -1.46 114.58 120.59 2pjs h GLU 74 Ca 0.20 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2pjs h GLU 74 Cb 0.30 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2pjs h GLU 74 CO -0.00 0.36 0.30 0.28 -1.00 0.00 0.00 179.01 178.95 2pjs h VAL 75 N 0.36 1.18 -0.40 3.13 2.07 -1.12 -0.32 116.25 121.15 2pjs h VAL 75 Ca 0.10 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.19 2pjs h VAL 75 Cb 0.07 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 2pjs h VAL 75 CO -0.02 0.20 0.19 -0.74 0.02 0.00 0.00 177.57 177.22 2pjs h HIS 76 N 0.74 0.35 -0.93 1.57 -0.00 -0.93 0.40 115.15 116.34 2pjs h HIS 76 Ca 0.19 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.57 2pjs h HIS 76 Cb 0.05 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 27.32 2pjs h HIS 76 CO -0.01 0.17 0.55 0.00 -0.00 0.00 0.00 177.93 178.64 2pjs h ALA 77 N 1.22 1.19 -0.54 5.26 0.00 -0.90 -1.85 119.26 123.65 2pjs h ALA 77 Ca 0.18 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2pjs h ALA 77 Cb 0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2pjs h ALA 77 CO -0.14 0.65 0.11 0.00 0.00 0.00 0.00 179.25 179.88 2pjs h ARG 78 N 1.28 0.88 0.25 0.00 3.08 -0.29 -0.56 114.38 119.03 2pjs h ARG 78 Ca 0.33 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 2pjs h ARG 78 Cb -0.04 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 2pjs h ARG 78 CO -0.06 0.84 -0.17 0.82 -1.07 0.00 0.00 179.97 180.33 2pjs h ILE 79 N 0.77 0.64 -0.58 2.04 2.04 -0.68 -1.56 117.51 120.19 2pjs h ILE 79 Ca 0.17 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.05 2pjs h ILE 79 Cb 0.37 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 2pjs h ILE 79 CO 0.01 0.00 0.35 -0.07 0.00 0.00 0.00 178.15 178.44 2pjs h LEU 80 N -0.41 0.57 -1.82 1.44 3.38 -1.20 -2.25 115.31 115.02 2pjs h LEU 80 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2pjs h LEU 80 Cb 0.35 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2pjs h LEU 80 CO 0.01 0.40 -0.14 0.11 0.09 0.00 0.00 178.44 178.90 2pjs h LYS 81 N 0.69 0.00 0.00 1.13 1.57 -0.98 -0.99 116.57 117.99 2pjs h LYS 81 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2pjs h LYS 81 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2pjs h LYS 81 CO -0.10 0.14 0.00 0.00 -0.57 0.00 0.00 179.45 178.92 2pjs n ALA 82 N -2.41 2.32 -1.24 3.86 0.00 -0.60 -4.92 120.51 117.53 2pjs n ALA 82 Ca -0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.27 2pjs n ALA 82 Cb 0.23 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.21 2pjs n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pjs n GLY 83 N 1.24 0.61 3.73 0.00 0.00 -0.38 -5.02 105.19 105.38 2pjs n GLY 83 Ca 0.10 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 2pjs n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pjs s LEU 84 N -0.91 4.38 0.33 0.99 1.43 -1.08 -5.03 118.68 118.80 2pjs s LEU 84 Ca 0.00 1.33 -0.28 0.00 -1.03 0.00 0.00 54.13 54.15 2pjs s LEU 84 Cb 0.00 -3.16 -0.09 0.00 0.03 0.00 0.00 46.19 42.96 2pjs s LEU 84 CO 0.00 -0.05 1.15 -2.16 0.23 0.00 0.00 176.35 175.52 2pjs s PRO 85 N 0.37 4.40 -0.24 1.29 0.04 -1.26 -4.63 135.00 134.98 2pjs s PRO 85 Ca 0.38 1.86 -0.11 0.00 0.04 0.00 0.00 61.00 63.17 2pjs s PRO 85 Cb -0.19 -2.98 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 2pjs s PRO 85 CO 0.21 -0.02 0.20 0.42 0.04 0.00 0.00 177.00 177.85 2pjs s ILE 86 N -1.27 5.33 -0.04 0.56 1.01 -1.26 -4.47 121.20 121.07 2pjs s ILE 86 Ca 0.50 0.27 0.12 0.00 0.00 0.00 0.00 60.65 61.54 2pjs s ILE 86 Cb -0.32 -3.54 -0.13 0.00 0.01 0.00 0.00 42.46 38.48 2pjs s ILE 86 CO 0.41 0.32 1.08 -0.33 0.00 0.00 0.00 174.94 176.42 2pjs h GLU 87 N 7.55 0.00 -2.48 2.79 5.08 -1.28 -3.47 114.58 122.77 2pjs h GLU 87 Ca -0.37 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.90 2pjs h GLU 87 Cb 1.17 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.19 2pjs h GLU 87 CO 0.66 0.61 -0.13 -0.47 -1.00 0.00 0.00 179.01 178.67 2pjs s TYR 88 N -2.79 -0.61 0.00 4.33 5.04 -1.14 -4.94 117.35 117.23 2pjs s TYR 88 Ca -0.00 1.43 0.00 0.00 -2.44 0.00 0.00 57.07 56.05 2pjs s TYR 88 Cb 0.09 0.24 0.00 0.00 0.35 0.00 0.00 41.96 42.64 2pjs s TYR 88 CO 0.80 -0.31 0.00 0.41 -1.34 0.00 0.00 175.55 175.12 2pjs n GLY 89 N 3.18 -1.89 3.76 8.97 0.00 -1.26 -0.74 105.19 117.21 2pjs n GLY 89 Ca -0.16 -1.41 -0.38 0.00 0.00 0.00 0.00 46.02 44.07 2pjs n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pjs s PRO 90 N 0.00 3.65 -0.01 1.61 0.04 -1.26 -4.90 135.00 134.13 2pjs s PRO 90 Ca 0.00 2.07 -0.21 0.00 0.04 0.00 0.00 61.00 62.90 2pjs s PRO 90 Cb 0.00 -2.49 0.04 0.00 0.04 0.00 0.00 34.50 32.09 2pjs s PRO 90 CO 0.00 -0.73 0.45 0.54 0.04 0.00 0.00 177.00 177.30 2pjs s VAL 91 N -1.36 0.04 -0.21 -0.36 0.11 -0.54 -4.97 120.40 113.11 2pjs s VAL 91 Ca 0.63 -0.31 -0.16 0.00 -2.93 0.00 0.00 61.98 59.21 2pjs s VAL 91 Cb -0.36 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 33.65 2pjs s VAL 91 CO 0.44 -0.17 0.41 -0.89 -3.33 0.00 0.00 175.10 171.56 2pjs s THR 92 N -1.51 5.18 0.58 5.04 2.01 -1.26 -1.54 115.64 124.13 2pjs s THR 92 Ca -0.11 0.73 -0.00 0.00 0.31 0.00 0.00 61.69 62.61 2pjs s THR 92 Cb -0.03 -3.74 0.04 0.00 0.01 0.00 0.00 72.50 68.78 2pjs s THR 92 CO 0.05 0.22 0.82 -1.61 -0.69 0.00 0.00 174.62 173.41 2pjs s GLU 93 N 1.48 2.48 0.14 4.92 0.41 0.88 -4.99 118.70 124.02 2pjs s GLU 93 Ca 0.19 -0.67 0.24 0.00 -0.41 0.00 0.00 54.97 54.32 2pjs s GLU 93 Cb -0.15 -2.42 0.92 0.00 -1.78 0.00 0.00 34.13 30.70 2pjs s GLU 93 CO 0.08 -0.81 1.74 0.00 -0.49 0.00 0.00 175.26 175.78 2pjs n ALA 94 N -2.45 2.03 -1.33 5.21 0.00 -1.26 -3.26 120.51 119.44 2pjs n ALA 94 Ca 0.08 -0.02 -0.17 0.00 0.00 0.00 0.00 53.44 53.33 2pjs n ALA 94 Cb 0.60 -1.41 0.18 0.00 0.00 0.00 0.00 19.45 18.82 2pjs n ALA 94 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 2pjs n TRP 95 N -1.95 2.32 -2.55 0.00 2.14 -1.26 -4.93 117.44 111.21 2pjs n TRP 95 Ca 0.05 -1.80 -0.07 0.00 2.07 0.00 0.00 57.50 57.74 2pjs n TRP 95 Cb 0.31 -0.79 0.01 0.00 -0.81 0.00 0.00 31.31 30.04 2pjs n TRP 95 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2pjs n GLY 96 N -1.13 0.31 3.09 -1.67 0.00 -1.20 -5.06 105.19 99.53 2pjs n GLY 96 Ca 0.50 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 2pjs n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pjs s VAL 97 N -2.78 0.65 -0.08 1.61 -7.23 -1.26 -5.01 120.40 106.31 2pjs s VAL 97 Ca 0.11 -1.20 -0.02 0.00 -1.81 0.00 0.00 61.98 59.06 2pjs s VAL 97 Cb -0.05 -0.78 -0.03 0.00 0.56 0.00 0.00 36.38 36.08 2pjs s VAL 97 CO 0.14 -0.40 0.02 0.00 -0.31 0.00 0.00 175.10 174.54 2pjs s GLN 98 N -1.81 3.01 0.13 4.82 -2.07 -0.20 -0.08 119.66 123.46 2pjs s GLN 98 Ca -0.07 -0.40 -0.17 0.00 -1.82 0.00 0.00 55.36 52.90 2pjs s GLN 98 Cb -0.09 -2.82 0.04 0.00 -1.09 0.00 0.00 33.01 29.05 2pjs s GLN 98 CO 0.00 0.70 0.42 -0.98 -1.32 0.00 0.00 175.29 174.12 2pjs s ARG 99 N -0.98 1.10 0.06 9.60 1.70 -0.59 -0.28 118.95 129.55 2pjs s ARG 99 Ca 0.14 -0.70 -0.02 0.00 -0.47 0.00 0.00 55.73 54.68 2pjs s ARG 99 Cb -0.11 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.71 2pjs s ARG 99 CO 0.04 -0.44 -0.00 -0.48 -1.08 0.00 0.00 175.30 173.34 2pjs s LEU 100 N -2.81 2.34 -0.00 -1.89 0.05 -0.38 -1.46 118.68 114.53 2pjs s LEU 100 Ca 0.03 -0.97 0.06 0.00 0.05 0.00 0.00 54.13 53.31 2pjs s LEU 100 Cb 0.01 0.30 -0.03 0.00 -2.05 0.00 0.00 46.19 44.43 2pjs s LEU 100 CO -0.11 -0.62 -0.19 -0.36 -0.55 0.00 0.00 176.35 174.51 2pjs s PHE 101 N -3.92 2.54 0.20 3.48 0.40 0.08 -0.73 117.98 120.03 2pjs s PHE 101 Ca 0.07 -0.28 -0.13 0.00 -0.60 0.00 0.00 56.93 55.99 2pjs s PHE 101 Cb 0.08 -1.52 0.01 0.00 0.51 0.00 0.00 43.02 42.09 2pjs s PHE 101 CO -0.10 0.16 0.43 -0.48 0.70 0.00 0.00 175.22 175.94 2pjs s LEU 102 N -1.02 0.43 0.00 -0.37 2.34 -0.22 -0.68 118.68 119.16 2pjs s LEU 102 Ca 0.12 -0.75 -0.18 0.00 0.06 0.00 0.00 54.13 53.39 2pjs s LEU 102 Cb -0.10 1.73 -0.06 0.00 -0.56 0.00 0.00 46.19 47.20 2pjs s LEU 102 CO 0.02 -1.03 0.51 -0.13 -1.06 0.00 0.00 176.35 174.66 2pjs s ARG 103 N -3.95 4.16 0.91 1.48 1.81 -1.26 -0.65 118.95 121.44 2pjs s ARG 103 Ca 0.16 0.58 -0.13 0.00 -1.72 0.00 0.00 55.73 54.62 2pjs s ARG 103 Cb 0.00 -3.29 0.18 0.00 -0.45 0.00 0.00 34.95 31.40 2pjs s ARG 103 CO 0.02 0.52 1.25 0.16 -0.68 0.00 0.00 175.30 176.57 2pjs s ASP 104 N -0.62 3.38 0.35 0.23 -4.77 -0.30 -4.92 116.67 110.04 2pjs s ASP 104 Ca 0.27 0.13 0.23 0.00 -3.30 0.00 0.00 52.55 49.89 2pjs s ASP 104 Cb -0.18 -0.25 1.27 0.00 -1.09 0.00 0.00 42.92 42.67 2pjs s ASP 104 CO 0.15 -2.55 1.71 -0.65 0.70 0.00 0.00 175.17 174.54 2pjs h PRO 105 N -1.40 0.00 -0.22 2.11 0.11 -1.90 -1.59 132.00 129.11 2pjs h PRO 105 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2pjs h PRO 105 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2pjs h PRO 105 CO 0.39 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.37 2pjs n PHE 106 N -2.32 0.28 -0.66 0.65 3.72 -1.26 -4.96 117.46 112.92 2pjs n PHE 106 Ca -0.02 -0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 2pjs n PHE 106 Cb 0.05 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 2pjs n PHE 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pjs n GLY 107 N 0.62 0.70 3.77 1.37 0.00 -0.60 -5.03 105.19 106.03 2pjs n GLY 107 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2pjs n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pjs s LYS 108 N -0.34 4.54 -0.40 1.61 -0.14 -1.26 -4.78 119.74 118.97 2pjs s LYS 108 Ca 0.00 1.43 -0.23 0.00 -1.36 0.00 0.00 55.97 55.81 2pjs s LYS 108 Cb 0.00 -2.85 0.01 0.00 -1.68 0.00 0.00 37.83 33.32 2pjs s LYS 108 CO 0.00 0.22 0.76 -1.17 -0.76 0.00 0.00 175.35 174.41 2pjs s LEU 109 N -2.00 4.19 -0.22 3.17 2.96 -1.26 -1.15 118.68 124.38 2pjs s LEU 109 Ca 0.50 0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 54.49 2pjs s LEU 109 Cb -0.21 -2.97 -0.03 0.00 0.50 0.00 0.00 46.19 43.48 2pjs s LEU 109 CO 0.27 -0.78 0.04 -0.63 -1.32 0.00 0.00 176.35 173.93 2pjs s ILE 110 N 3.12 4.26 -0.36 6.68 -1.09 0.17 0.21 121.20 134.19 2pjs s ILE 110 Ca 0.30 -0.20 -0.17 0.00 -2.23 0.00 0.00 60.65 58.34 2pjs s ILE 110 Cb -0.13 -2.95 -0.00 0.00 -1.58 0.00 0.00 42.46 37.80 2pjs s ILE 110 CO 0.19 0.40 0.46 0.21 -1.23 0.00 0.00 174.94 174.97 2pjs s ASN 111 N 1.13 6.25 -0.25 3.58 2.47 -0.09 -1.06 114.94 126.98 2pjs s ASN 111 Ca 0.04 -0.21 -0.10 0.00 0.42 0.00 0.00 52.86 53.00 2pjs s ASN 111 Cb -0.14 -2.24 -0.05 0.00 -1.45 0.00 0.00 41.25 37.37 2pjs s ASN 111 CO 0.03 -0.47 0.15 -0.63 -3.72 0.00 0.00 177.10 172.45 2pjs s ILE 112 N 2.26 5.16 0.05 -5.21 -1.09 0.09 -0.15 121.20 122.31 2pjs s ILE 112 Ca 0.16 0.11 -0.00 0.00 -2.23 0.00 0.00 60.65 58.69 2pjs s ILE 112 Cb -0.16 -3.42 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 2pjs s ILE 112 CO 0.13 0.33 -0.04 -1.48 -1.23 0.00 0.00 174.94 172.65 2pjs s LEU 113 N 1.27 2.42 0.00 2.97 0.05 -0.58 -1.25 118.68 123.57 2pjs s LEU 113 Ca 0.07 -0.86 0.00 0.00 0.05 0.00 0.00 54.13 53.39 2pjs s LEU 113 Cb -0.14 0.14 0.00 0.00 -2.05 0.00 0.00 46.19 44.13 2pjs s LEU 113 CO 0.06 -0.50 0.00 -0.24 -0.55 0.00 0.00 176.35 175.12