#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 5.03 -0.25 0.00 1.01 -1.26 -4.95 120.40 119.98 2pjs s VAL 3 Ca 0.00 1.37 0.05 0.00 0.00 0.00 0.00 61.98 63.39 2pjs s VAL 3 Cb 0.00 -4.01 -0.18 0.00 0.00 0.00 0.00 36.38 32.19 2pjs s VAL 3 CO 0.00 0.20 -0.18 0.54 0.00 0.00 0.00 175.10 175.66 2pjs n ARG 4 N 4.23 0.66 -3.66 2.72 1.74 -1.26 -4.84 116.66 116.25 2pjs n ARG 4 Ca -0.01 0.12 -0.15 0.00 -0.77 0.00 0.00 57.85 57.04 2pjs n ARG 4 Cb 0.51 -1.52 -0.08 0.00 -1.02 0.00 0.00 32.46 30.35 2pjs n ARG 4 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2pjs s ARG 5 N -2.52 0.82 -0.11 5.56 1.70 -1.26 -4.53 118.95 118.60 2pjs s ARG 5 Ca -0.31 0.06 0.03 0.00 -0.47 0.00 0.00 55.73 55.04 2pjs s ARG 5 Cb 0.08 0.38 0.01 0.00 -0.57 0.00 0.00 34.95 34.85 2pjs s ARG 5 CO 0.64 -0.23 -0.20 0.08 -1.08 0.00 0.00 175.30 174.51 2pjs s VAL 6 N -1.14 1.84 -0.10 4.99 1.01 -1.26 -5.02 120.40 120.72 2pjs s VAL 6 Ca -0.11 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.01 2pjs s VAL 6 Cb -0.03 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.74 2pjs s VAL 6 CO 0.06 0.51 -0.10 -0.69 0.00 0.00 0.00 175.10 174.88 2pjs s VAL 7 N 0.70 1.17 0.26 2.92 1.01 -1.26 -4.83 120.40 120.38 2pjs s VAL 7 Ca -0.11 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 2pjs s VAL 7 Cb -0.16 -1.13 -0.09 0.00 0.00 0.00 0.00 36.38 35.00 2pjs s VAL 7 CO 0.02 0.38 1.10 0.00 0.00 0.00 0.00 175.10 176.60 2pjs s ALA 8 N 1.31 3.41 -0.15 5.51 0.00 -1.26 -5.04 121.76 125.53 2pjs s ALA 8 Ca -0.02 0.89 -0.01 0.00 0.00 0.00 0.00 51.96 52.82 2pjs s ALA 8 Cb -0.14 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 2pjs s ALA 8 CO -0.04 -0.17 -0.11 -0.80 0.00 0.00 0.00 175.76 174.63 2pjs s ASN 9 N -0.75 4.06 -0.20 0.00 0.01 -1.26 -5.10 114.94 111.70 2pjs s ASN 9 Ca 0.45 -0.35 -0.07 0.00 -0.71 0.00 0.00 52.86 52.19 2pjs s ASN 9 Cb -0.32 -1.64 -0.03 0.00 0.41 0.00 0.00 41.25 39.67 2pjs s ASN 9 CO 0.40 0.12 0.05 -0.63 -1.51 0.00 0.00 177.10 175.52 2pjs s ILE 10 N 0.65 4.45 0.08 0.60 1.01 -1.26 -5.08 121.20 121.64 2pjs s ILE 10 Ca -0.06 -0.14 -0.28 0.00 0.00 0.00 0.00 60.65 60.17 2pjs s ILE 10 Cb -0.15 -3.02 -0.05 0.00 0.01 0.00 0.00 42.46 39.24 2pjs s ILE 10 CO 0.03 0.42 0.87 0.00 0.00 0.00 0.00 174.94 176.26 2pjs s ALA 11 N 0.83 3.30 -0.27 9.38 0.00 -1.26 -5.04 121.76 128.70 2pjs s ALA 11 Ca 0.03 0.44 -0.24 0.00 0.00 0.00 0.00 51.96 52.18 2pjs s ALA 11 Cb -0.14 -3.15 0.08 0.00 0.00 0.00 0.00 23.12 19.90 2pjs s ALA 11 CO 0.02 0.00 0.75 -0.08 0.00 0.00 0.00 175.76 176.45 2pjs s THR 12 N 0.02 0.00 -0.83 0.00 -1.32 -1.26 -5.01 115.64 107.25 2pjs s THR 12 Ca 0.43 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 61.07 2pjs s THR 12 Cb -0.22 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 69.91 2pjs s THR 12 CO 0.27 0.00 1.47 -0.81 -2.21 0.00 0.00 174.62 173.34 2pjs n PRO 13 N 2.75 0.06 -3.39 7.08 -0.04 -1.26 -4.26 135.00 135.94 2pjs n PRO 13 Ca -0.14 0.35 -0.23 0.00 -0.04 0.00 0.00 63.50 63.43 2pjs n PRO 13 Cb 0.55 -1.62 -0.10 0.00 -0.04 0.00 0.00 33.50 32.30 2pjs n PRO 13 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2pjs s GLU 14 N -3.11 0.64 0.59 0.54 2.56 -1.26 -4.99 118.70 113.67 2pjs s GLU 14 Ca 0.05 -1.25 0.29 0.00 0.00 0.00 0.00 54.97 54.06 2pjs s GLU 14 Cb 0.08 -1.06 1.37 0.00 2.00 0.00 0.00 34.13 36.52 2pjs s GLU 14 CO 0.26 -1.23 1.76 -1.35 -0.56 0.00 0.00 175.26 174.13 2pjs h PRO 15 N 6.79 0.00 0.00 4.30 0.11 -1.89 -1.36 132.00 139.95 2pjs h PRO 15 Ca 0.08 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 2pjs h PRO 15 Cb 1.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 2pjs h PRO 15 CO 0.24 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.01 2pjs h ALA 16 N 1.25 1.24 0.00 -0.75 0.00 -1.95 -1.74 119.26 117.31 2pjs h ALA 16 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2pjs h ALA 16 Cb 1.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2pjs h ALA 16 CO -0.00 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.28 2pjs h ARG 17 N 0.00 0.00 0.00 0.00 3.08 -1.69 -2.21 114.38 113.56 2pjs h ARG 17 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2pjs h ARG 17 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2pjs h ARG 17 CO 0.00 0.00 -0.26 0.00 -1.07 0.00 0.00 179.97 178.65 2pjs h ALA 18 N 2.03 0.97 -0.75 0.04 0.00 -1.54 -3.33 119.26 116.67 2pjs h ALA 18 Ca 0.00 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.70 2pjs h ALA 18 Cb 0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2pjs h ALA 18 CO 0.00 0.32 0.48 0.37 0.00 0.00 0.00 179.25 180.42 2pjs h GLN 19 N 0.00 0.92 -0.66 0.00 5.75 -1.60 -0.11 115.11 119.40 2pjs h GLN 19 Ca -0.00 -0.06 0.10 0.00 -0.15 0.00 0.00 58.65 58.54 2pjs h GLN 19 Cb 0.85 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 29.15 2pjs h GLN 19 CO 0.03 0.61 0.44 0.00 -2.65 0.00 0.00 178.83 177.26 2pjs h ALA 20 N 1.31 1.95 0.00 3.38 0.00 -1.79 0.90 119.26 125.02 2pjs h ALA 20 Ca 0.30 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 2pjs h ALA 20 Cb -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2pjs h ALA 20 CO -0.10 -0.10 -1.06 0.34 0.00 0.00 0.00 179.25 178.33 2pjs n PHE 21 N -4.48 0.00 0.07 0.00 7.35 -0.83 -3.47 117.46 116.10 2pjs n PHE 21 Ca 0.11 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.73 2pjs n PHE 21 Cb 0.37 -0.47 0.09 0.00 0.35 0.00 0.00 39.48 39.82 2pjs n PHE 21 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 2pjs h TYR 22 N -0.79 0.41 0.00 -5.13 0.05 -1.17 -1.50 116.97 108.85 2pjs h TYR 22 Ca -0.10 -0.16 -0.05 0.00 0.05 0.00 0.00 58.73 58.46 2pjs h TYR 22 Cb 0.92 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.58 2pjs h TYR 22 CO -0.29 0.86 -0.35 0.78 -1.05 0.00 0.00 178.16 178.11 2pjs h GLY 23 N 1.39 0.00 0.05 3.88 0.00 -1.37 -2.74 103.07 104.28 2pjs h GLY 23 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 2pjs h GLY 23 CO 0.10 0.00 -0.00 -0.55 0.00 0.00 0.00 176.54 176.09 2pjs h ASP 24 N -1.00 -0.01 0.01 0.19 3.32 -0.95 -1.79 116.42 116.20 2pjs h ASP 24 Ca -0.07 -0.85 -0.06 0.00 0.02 0.00 0.00 57.03 56.06 2pjs h ASP 24 Cb 0.70 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.26 2pjs h ASP 24 CO -0.05 0.89 -0.26 0.40 -1.72 0.00 0.00 179.24 178.51 2pjs h ILE 25 N -0.95 1.58 0.00 0.35 2.04 -1.51 -3.33 117.51 115.68 2pjs h ILE 25 Ca -0.00 -2.04 0.00 0.00 1.00 0.00 0.00 64.86 63.82 2pjs h ILE 25 Cb 0.86 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 39.82 2pjs h ILE 25 CO 0.00 0.55 -0.65 0.18 0.00 0.00 0.00 178.15 178.24 2pjs n LEU 26 N -4.49 0.61 -1.86 1.44 4.77 -0.59 -4.92 117.00 111.95 2pjs n LEU 26 Ca -0.10 0.11 -0.02 0.00 -0.03 0.00 0.00 56.01 55.97 2pjs n LEU 26 Cb 0.52 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 2pjs n LEU 26 CO 0.39 0.03 -0.29 0.61 -1.33 0.00 0.00 177.39 176.80 2pjs n GLY 27 N 1.40 -4.17 3.10 -0.72 0.00 -0.67 -4.96 105.19 99.17 2pjs n GLY 27 Ca 0.04 0.28 -0.08 0.00 0.00 0.00 0.00 46.02 46.26 2pjs n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2pjs s PRO 29 N -1.05 0.63 0.13 1.61 0.02 -1.10 -4.81 135.00 130.42 2pjs s PRO 29 Ca -0.08 -1.18 -0.31 0.00 0.02 0.00 0.00 61.00 59.45 2pjs s PRO 29 Cb 0.01 0.09 -0.09 0.00 0.02 0.00 0.00 34.50 34.52 2pjs s PRO 29 CO 0.22 -0.08 1.63 0.08 -0.33 0.00 0.00 177.00 178.53 2pjs s VAL 30 N -3.56 2.74 -2.54 3.83 1.01 -1.26 -0.68 120.40 119.93 2pjs s VAL 30 Ca 0.06 0.40 0.21 0.00 0.00 0.00 0.00 61.98 62.65 2pjs s VAL 30 Cb 0.05 -3.26 0.23 0.00 0.00 0.00 0.00 36.38 33.41 2pjs s VAL 30 CO -0.08 0.02 1.23 0.00 0.00 0.00 0.00 175.10 176.27 2pjs n ALA 31 N 4.76 2.44 0.00 5.51 0.00 0.13 -4.87 120.51 128.50 2pjs n ALA 31 Ca 0.15 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2pjs n ALA 31 Cb 0.39 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.10 2pjs n ALA 31 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pjs n ASP 33 N 1.24 0.00 -1.51 0.00 -0.08 -1.26 -4.99 116.55 109.95 2pjs n ASP 33 Ca 0.14 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.50 2pjs n ASP 33 Cb 0.54 0.00 0.35 0.00 2.34 0.00 0.00 41.12 44.35 2pjs n ASP 33 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2pjs n HIS 34 N 0.00 1.57 0.00 -0.67 8.25 0.07 -5.00 115.22 119.44 2pjs n HIS 34 Ca 0.00 -0.73 0.00 0.00 -0.26 0.00 0.00 57.72 56.73 2pjs n HIS 34 Cb 0.00 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 30.74 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 0.45 1.86 0.28 -1.41 0.00 -1.26 -4.26 105.19 100.85 2pjs n GLY 35 Ca 0.25 -0.02 0.17 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 0.00 -3.76 1.61 5.08 -2.01 -3.44 115.95 113.43 2pjs h TRP 36 Ca 0.00 0.00 -0.25 0.00 1.08 0.00 0.00 58.89 59.72 2pjs h TRP 36 Cb 0.00 0.00 -0.28 0.00 -3.00 0.00 0.00 29.16 25.88 2pjs h TRP 36 CO 0.00 0.01 -0.73 -1.50 -1.28 0.00 0.00 178.44 174.95 2pjs s ILE 37 N -3.69 0.07 -0.03 0.12 2.07 -1.26 -4.96 121.20 113.53 2pjs s ILE 37 Ca 0.01 -0.04 0.03 0.00 -1.41 0.00 0.00 60.65 59.24 2pjs s ILE 37 Cb 0.09 -0.07 -0.00 0.00 0.13 0.00 0.00 42.46 42.61 2pjs s ILE 37 CO 0.55 0.02 -0.13 -0.69 -1.91 0.00 0.00 174.94 172.78 2pjs s VAL 38 N -0.01 1.07 -0.13 4.00 1.01 -1.26 -0.75 120.40 124.33 2pjs s VAL 38 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.46 2pjs s VAL 38 Cb -0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 2pjs s VAL 38 CO -0.00 0.32 -0.14 -0.89 0.00 0.00 0.00 175.10 174.39 2pjs s THR 39 N 0.09 2.93 -0.10 3.92 2.01 -1.26 -5.01 115.64 118.22 2pjs s THR 39 Ca -0.03 -0.70 -0.09 0.00 0.31 0.00 0.00 61.69 61.18 2pjs s THR 39 Cb -0.09 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 2pjs s THR 39 CO 0.01 0.53 0.20 -1.00 -0.69 0.00 0.00 174.62 173.67 2pjs s HIS 40 N 0.37 3.62 0.02 4.92 3.76 -1.26 0.21 115.29 126.93 2pjs s HIS 40 Ca -0.12 0.62 -0.00 0.00 -0.15 0.00 0.00 55.06 55.41 2pjs s HIS 40 Cb -0.16 -2.03 -0.02 0.00 1.11 0.00 0.00 32.58 31.48 2pjs s HIS 40 CO 0.06 0.69 -0.03 0.00 -0.85 0.00 0.00 174.74 174.61 2pjs s ALA 41 N -0.95 0.19 0.28 -1.40 0.00 0.14 -4.85 121.76 115.17 2pjs s ALA 41 Ca 0.17 -0.68 -0.12 0.00 0.00 0.00 0.00 51.96 51.33 2pjs s ALA 41 Cb -0.13 0.16 -0.08 0.00 0.00 0.00 0.00 23.12 23.07 2pjs s ALA 41 CO 0.06 -0.18 0.64 0.45 0.00 0.00 0.00 175.76 176.73 2pjs s SER 42 N -1.65 6.67 0.23 0.00 0.15 -1.26 -2.73 113.70 115.11 2pjs s SER 42 Ca -0.13 1.07 0.11 0.00 0.70 0.00 0.00 55.95 57.70 2pjs s SER 42 Cb -0.08 -2.29 0.59 0.00 -1.71 0.00 0.00 66.02 62.54 2pjs s SER 42 CO -0.02 -0.15 1.24 -2.65 1.20 0.00 0.00 173.24 172.85 2pjs n PRO 43 N -0.34 0.07 -4.64 5.44 -0.02 -1.26 -4.70 135.00 129.55 2pjs n PRO 43 Ca 0.02 0.52 -0.29 0.00 -2.02 0.00 0.00 63.50 61.73 2pjs n PRO 43 Cb 0.53 -1.93 -0.09 0.00 -0.02 0.00 0.00 33.50 31.99 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 -3.76 2.33 0.00 2.45 1.43 -1.26 -5.12 118.68 114.75 2pjs s LEU 44 Ca -0.01 -1.57 0.00 0.00 -1.03 0.00 0.00 54.13 51.52 2pjs s LEU 44 Cb 0.03 -0.58 0.00 0.00 0.03 0.00 0.00 46.19 45.67 2pjs s LEU 44 CO 0.10 -0.76 0.00 -0.62 0.23 0.00 0.00 176.35 175.30 2pjs n GLU 45 N -1.06 0.00 -3.79 1.70 1.02 -1.26 -5.12 120.64 112.14 2pjs n GLU 45 Ca -0.11 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.91 2pjs n GLU 45 Cb 0.66 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 32.00 2pjs n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pjs s ALA 46 N 0.00 -0.63 0.47 0.62 0.00 -1.26 -5.15 121.76 115.81 2pjs s ALA 46 Ca 0.00 0.09 -0.24 0.00 0.00 0.00 0.00 51.96 51.80 2pjs s ALA 46 Cb 0.00 0.18 -0.08 0.00 0.00 0.00 0.00 23.12 23.22 2pjs s ALA 46 CO 0.00 -0.31 1.34 0.72 0.00 0.00 0.00 175.76 177.51 2pjs n HIS 47 N 1.01 2.32 -2.30 0.00 8.25 -1.26 -4.94 115.22 118.30 2pjs n HIS 47 Ca -0.21 0.46 -0.43 0.00 -0.26 0.00 0.00 57.72 57.29 2pjs n HIS 47 Cb 0.57 -2.39 -0.02 0.00 1.12 0.00 0.00 29.99 29.27 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 -1.23 3.61 0.12 -1.41 0.00 -1.26 -4.97 121.76 116.61 2pjs s ALA 48 Ca 0.65 0.67 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 2pjs s ALA 48 Cb -0.46 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.05 2pjs s ALA 48 CO 0.55 -1.09 0.28 1.14 0.00 0.00 0.00 175.76 176.64 2pjs s GLN 49 N 3.14 0.99 -0.15 0.00 -2.07 -1.26 -4.92 119.66 115.39 2pjs s GLN 49 Ca 0.61 -0.93 -0.15 0.00 -1.82 0.00 0.00 55.36 53.07 2pjs s GLN 49 Cb -0.27 0.39 0.04 0.00 -1.09 0.00 0.00 33.01 32.09 2pjs s GLN 49 CO 0.21 -0.36 0.44 0.54 -1.32 0.00 0.00 175.29 174.80 2pjs s VAL 50 N -3.87 0.00 0.19 3.63 0.11 -1.26 -4.82 120.40 114.39 2pjs s VAL 50 Ca 0.07 -0.03 0.11 0.00 -2.93 0.00 0.00 61.98 59.21 2pjs s VAL 50 Cb 0.03 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 2pjs s VAL 50 CO -0.09 -0.01 -0.23 -0.44 -3.33 0.00 0.00 175.10 170.99 2pjs s SER 51 N 0.11 3.47 -0.08 3.54 0.01 -1.26 -5.12 113.70 114.37 2pjs s SER 51 Ca -0.01 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.39 2pjs s SER 51 Cb -0.03 -0.27 0.02 0.00 0.21 0.00 0.00 66.02 65.95 2pjs s SER 51 CO 0.01 0.12 -0.05 -0.36 0.41 0.00 0.00 173.24 173.36 2pjs s PHE 52 N -1.69 1.09 -0.04 2.43 0.40 -1.26 -5.14 117.98 113.78 2pjs s PHE 52 Ca 0.21 -0.43 -0.03 0.00 -0.60 0.00 0.00 56.93 56.07 2pjs s PHE 52 Cb -0.08 -0.96 0.01 0.00 0.51 0.00 0.00 43.02 42.50 2pjs s PHE 52 CO 0.10 -0.36 0.10 0.00 0.70 0.00 0.00 175.22 175.76 2pjs s ALA 53 N 1.46 -0.24 -0.49 5.36 0.00 -1.26 -5.03 121.76 121.56 2pjs s ALA 53 Ca -0.01 0.28 0.24 0.00 0.00 0.00 0.00 51.96 52.46 2pjs s ALA 53 Cb -0.13 -0.16 0.30 0.00 0.00 0.00 0.00 23.12 23.13 2pjs s ALA 53 CO -0.04 -0.05 1.35 0.07 0.00 0.00 0.00 175.76 177.10 2pjs h ARG 54 N 6.01 0.00 -3.35 0.00 0.11 -2.00 -3.48 114.38 111.66 2pjs h ARG 54 Ca -0.25 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.82 2pjs h ARG 54 Cb 1.20 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.22 2pjs h ARG 54 CO 0.45 0.00 0.05 -1.83 0.10 0.00 0.00 179.97 178.74 2pjs s GLU 55 N -3.23 1.73 0.00 0.08 -1.05 -1.26 -4.87 118.70 110.10 2pjs s GLU 55 Ca 0.05 -1.19 0.29 0.00 -0.15 0.00 0.00 54.97 53.97 2pjs s GLU 55 Cb 0.10 0.54 1.32 0.00 -0.44 0.00 0.00 34.13 35.65 2pjs s GLU 55 CO 0.72 -0.76 1.90 0.41 0.95 0.00 0.00 175.26 178.48 2pjs n GLY 56 N -0.44 -0.67 0.00 -3.83 0.00 0.02 -4.67 105.19 95.61 2pjs n GLY 56 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 1.18 0.73 2.46 -0.02 0.00 -1.26 -4.80 105.19 103.49 2pjs n GLY 57 Ca 0.18 -1.55 -0.19 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.37 -5.17 0.00 1.61 7.64 -1.26 -1.76 113.62 114.32 2pjs n SER 58 Ca 0.00 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.27 2pjs n SER 58 Cb 0.00 -4.54 0.00 0.00 -1.01 0.00 0.00 64.21 58.66 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 -0.48 0.67 3.74 0.23 0.00 -1.26 -5.05 105.19 103.03 2pjs n GLY 59 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.37 2.57 0.74 2.61 -4.23 -0.72 -4.87 115.64 109.37 2pjs s THR 60 Ca 0.00 0.19 -0.12 0.00 -1.18 0.00 0.00 61.69 60.57 2pjs s THR 60 Cb 0.00 -2.76 0.04 0.00 1.34 0.00 0.00 72.50 71.12 2pjs s THR 60 CO 0.00 -0.24 1.11 -1.81 -0.54 0.00 0.00 174.62 173.13 2pjs s ASP 61 N -3.60 4.60 -0.01 3.99 1.01 -1.26 -0.80 116.67 120.59 2pjs s ASP 61 Ca 0.63 1.93 -0.30 0.00 0.71 0.00 0.00 52.55 55.52 2pjs s ASP 61 Cb -0.17 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.18 2pjs s ASP 61 CO 0.56 -1.98 1.26 -0.69 0.21 0.00 0.00 175.17 174.54 2pjs s VAL 62 N -2.66 4.03 0.48 -1.27 1.01 -1.26 -3.05 120.40 117.68 2pjs s VAL 62 Ca 0.64 1.40 -0.21 0.00 0.00 0.00 0.00 61.98 63.80 2pjs s VAL 62 Cb -0.19 -3.90 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 2pjs s VAL 62 CO 0.51 0.02 1.11 -2.16 0.00 0.00 0.00 175.10 174.59 2pjs s PRO 63 N 2.01 3.70 0.24 2.72 0.04 -1.26 -4.91 135.00 137.53 2pjs s PRO 63 Ca 0.59 1.61 -0.06 0.00 0.04 0.00 0.00 61.00 63.18 2pjs s PRO 63 Cb -0.28 -2.24 0.24 0.00 0.04 0.00 0.00 34.50 32.26 2pjs s PRO 63 CO 0.25 -0.57 1.82 -0.44 0.04 0.00 0.00 177.00 178.10 2pjs h ASP 64 N 1.75 1.04 -4.33 6.66 3.32 -0.79 -3.44 116.42 120.63 2pjs h ASP 64 Ca -0.49 -0.14 -0.20 0.00 0.02 0.00 0.00 57.03 56.21 2pjs h ASP 64 Cb 1.24 -0.27 -0.25 0.00 0.22 0.00 0.00 39.33 40.28 2pjs h ASP 64 CO 0.59 0.90 -0.71 -0.76 -1.72 0.00 0.00 179.24 177.55 2pjs s LEU 65 N -9.70 2.11 -0.20 1.55 1.43 -1.19 -5.05 118.68 107.64 2pjs s LEU 65 Ca -0.12 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 52.71 2pjs s LEU 65 Cb 0.16 0.05 -0.01 0.00 0.03 0.00 0.00 46.19 46.42 2pjs s LEU 65 CO 0.83 -0.14 -0.05 -0.44 0.23 0.00 0.00 176.35 176.77 2pjs s SER 66 N -0.70 4.35 -0.23 2.29 0.01 -1.26 -0.75 113.70 117.40 2pjs s SER 66 Ca -0.08 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 56.86 2pjs s SER 66 Cb -0.05 -1.73 0.05 0.00 0.21 0.00 0.00 66.02 64.51 2pjs s SER 66 CO -0.00 0.04 -0.09 -0.63 0.41 0.00 0.00 173.24 172.97 2pjs s ILE 67 N 1.11 1.78 -0.06 1.44 1.01 0.59 -4.98 121.20 122.10 2pjs s ILE 67 Ca 0.01 -1.29 -0.24 0.00 0.00 0.00 0.00 60.65 59.13 2pjs s ILE 67 Cb -0.15 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 2pjs s ILE 67 CO -0.01 0.01 0.75 -0.70 0.00 0.00 0.00 174.94 174.99 2pjs s GLU 68 N 1.30 4.45 0.20 2.79 2.12 -1.26 -1.70 118.70 126.60 2pjs s GLU 68 Ca -0.05 0.97 0.10 0.00 0.36 0.00 0.00 54.97 56.34 2pjs s GLU 68 Cb -0.18 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 2pjs s GLU 68 CO -0.07 0.03 -0.20 0.14 -0.54 0.00 0.00 175.26 174.62 2pjs s VAL 69 N 0.88 2.13 -2.59 3.70 -7.23 -0.05 -4.96 120.40 112.28 2pjs s VAL 69 Ca 0.40 -2.07 0.25 0.00 -1.81 0.00 0.00 61.98 58.75 2pjs s VAL 69 Cb -0.18 -2.04 0.25 0.00 0.56 0.00 0.00 36.38 34.96 2pjs s VAL 69 CO 0.19 -0.28 1.38 -0.90 -0.31 0.00 0.00 175.10 175.18 2pjs n ASP 70 N 0.07 2.28 -3.28 4.85 5.75 -1.26 -4.44 116.55 120.52 2pjs n ASP 70 Ca -0.11 -1.69 -0.19 0.00 -0.01 0.00 0.00 54.79 52.79 2pjs n ASP 70 Cb 0.57 0.10 -0.07 0.00 -1.03 0.00 0.00 41.12 40.69 2pjs n ASP 70 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2pjs s ASN 71 N -2.13 0.99 0.22 -1.12 3.84 -1.26 -5.03 114.94 110.45 2pjs s ASN 71 Ca 0.28 -2.16 -0.08 0.00 0.21 0.00 0.00 52.86 51.12 2pjs s ASN 71 Cb 0.20 0.36 0.17 0.00 -0.55 0.00 0.00 41.25 41.43 2pjs s ASN 71 CO 0.38 -0.20 1.81 0.15 -2.79 0.00 0.00 177.10 176.45 2pjs h PHE 72 N 6.25 1.20 -0.34 0.43 3.57 -1.94 -2.56 116.94 123.56 2pjs h PHE 72 Ca 0.13 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 2pjs h PHE 72 Cb 1.01 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 2pjs h PHE 72 CO 0.28 0.88 -0.16 -0.44 -2.23 0.00 0.00 178.31 176.64 2pjs h ASP 73 N 1.18 0.59 -0.03 0.41 3.32 -1.99 0.17 116.42 120.07 2pjs h ASP 73 Ca 0.28 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 2pjs h ASP 73 Cb 0.13 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2pjs h ASP 73 CO -0.03 0.77 -0.32 -0.33 -1.72 0.00 0.00 179.24 177.61 2pjs h GLU 74 N 0.55 0.50 -0.25 3.56 5.08 -1.95 -1.48 114.58 120.58 2pjs h GLU 74 Ca 0.09 -0.22 -0.18 0.00 -1.00 0.00 0.00 59.36 58.05 2pjs h GLU 74 Cb 0.59 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2pjs h GLU 74 CO 0.04 0.76 -0.55 0.28 -1.00 0.00 0.00 179.01 178.54 2pjs h VAL 75 N 0.43 1.28 -0.63 3.13 2.07 -1.11 -2.14 116.25 119.28 2pjs h VAL 75 Ca 0.05 -1.75 0.03 0.00 0.82 0.00 0.00 66.70 65.86 2pjs h VAL 75 Cb 0.77 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 2pjs h VAL 75 CO 0.06 0.56 0.39 -0.74 0.02 0.00 0.00 177.57 177.86 2pjs h HIS 76 N 0.58 0.72 -0.41 1.57 -0.00 -0.83 -0.76 115.15 116.02 2pjs h HIS 76 Ca 0.00 0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 60.26 2pjs h HIS 76 Cb 1.17 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 28.33 2pjs h HIS 76 CO 0.08 0.41 -0.26 0.00 -0.00 0.00 0.00 177.93 178.16 2pjs h ALA 77 N 1.28 0.77 -0.51 5.26 0.00 -1.24 -1.52 119.26 123.29 2pjs h ALA 77 Ca 0.26 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2pjs h ALA 77 Cb 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2pjs h ALA 77 CO -0.11 0.66 0.20 0.00 0.00 0.00 0.00 179.25 180.00 2pjs h ARG 78 N 0.74 0.77 -0.16 0.00 3.08 -0.79 0.94 114.38 118.96 2pjs h ARG 78 Ca 0.09 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2pjs h ARG 78 Cb 0.80 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 2pjs h ARG 78 CO 0.07 0.69 0.10 0.82 -1.07 0.00 0.00 179.97 180.57 2pjs h ILE 79 N 0.69 1.02 -0.46 2.04 2.04 -0.96 -0.87 117.51 121.02 2pjs h ILE 79 Ca 0.17 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 2pjs h ILE 79 Cb 0.21 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2pjs h ILE 79 CO -0.01 0.04 0.25 -0.07 0.00 0.00 0.00 178.15 178.36 2pjs h LEU 80 N 0.20 0.58 -1.77 1.44 3.38 -1.04 -2.41 115.31 115.69 2pjs h LEU 80 Ca 0.06 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2pjs h LEU 80 Cb -0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2pjs h LEU 80 CO -0.03 0.50 -0.14 0.11 0.09 0.00 0.00 178.44 178.98 2pjs h LYS 81 N 0.61 0.00 0.00 1.13 1.57 -0.55 -0.22 116.57 119.11 2pjs h LYS 81 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2pjs h LYS 81 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2pjs h LYS 81 CO -0.03 0.14 0.00 0.00 -0.57 0.00 0.00 179.45 178.99 2pjs n ALA 82 N -2.48 2.37 -1.34 3.86 0.00 -0.35 -4.92 120.51 117.64 2pjs n ALA 82 Ca -0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.24 2pjs n ALA 82 Cb 0.21 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.19 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 1.15 0.67 3.73 0.00 0.00 -0.09 -5.01 105.19 105.63 2pjs n GLY 83 Ca 0.12 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.27 4.45 0.48 0.99 1.43 -0.96 -5.03 118.68 118.77 2pjs s LEU 84 Ca 0.00 1.65 -0.22 0.00 -1.03 0.00 0.00 54.13 54.53 2pjs s LEU 84 Cb 0.00 -3.47 -0.07 0.00 0.03 0.00 0.00 46.19 42.68 2pjs s LEU 84 CO 0.00 -0.09 1.13 -2.16 0.23 0.00 0.00 176.35 175.47 2pjs s PRO 85 N 0.23 3.67 -0.19 1.29 0.04 -1.26 -4.67 135.00 134.11 2pjs s PRO 85 Ca 0.45 1.67 -0.05 0.00 0.04 0.00 0.00 61.00 63.11 2pjs s PRO 85 Cb -0.22 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 2pjs s PRO 85 CO 0.27 -0.60 0.00 0.42 0.04 0.00 0.00 177.00 177.13 2pjs s ILE 86 N -1.66 4.06 0.09 0.56 1.01 -1.26 -4.51 121.20 119.49 2pjs s ILE 86 Ca 0.66 -0.28 -0.00 0.00 0.00 0.00 0.00 60.65 61.03 2pjs s ILE 86 Cb -0.26 -2.83 -0.26 0.00 0.01 0.00 0.00 42.46 39.13 2pjs s ILE 86 CO 0.30 0.44 1.17 -0.33 0.00 0.00 0.00 174.94 176.53 2pjs h GLU 87 N 7.26 0.17 -2.74 2.79 5.08 -0.78 -3.47 114.58 122.89 2pjs h GLU 87 Ca -0.35 -0.29 -0.12 0.00 -1.00 0.00 0.00 59.36 57.59 2pjs h GLU 87 Cb 1.18 0.11 -0.25 0.00 0.50 0.00 0.00 28.75 30.29 2pjs h GLU 87 CO 0.62 1.13 -0.26 -0.47 -1.00 0.00 0.00 179.01 179.04 2pjs s TYR 88 N -2.67 -0.47 0.00 4.33 5.04 -1.08 -4.95 117.35 117.55 2pjs s TYR 88 Ca -0.02 1.12 0.00 0.00 -2.44 0.00 0.00 57.07 55.72 2pjs s TYR 88 Cb 0.08 0.17 0.00 0.00 0.35 0.00 0.00 41.96 42.56 2pjs s TYR 88 CO 0.86 -0.24 0.00 0.41 -1.34 0.00 0.00 175.55 175.24 2pjs n GLY 89 N 3.15 -1.91 3.76 8.97 0.00 -1.26 -0.73 105.19 117.16 2pjs n GLY 89 Ca -0.15 -1.50 -0.37 0.00 0.00 0.00 0.00 46.02 44.00 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 3.26 -0.07 1.61 0.04 -1.26 -4.93 135.00 133.65 2pjs s PRO 90 Ca 0.00 1.91 -0.19 0.00 0.04 0.00 0.00 61.00 62.76 2pjs s PRO 90 Cb 0.00 -2.16 0.04 0.00 0.04 0.00 0.00 34.50 32.42 2pjs s PRO 90 CO 0.00 -1.00 0.43 0.54 0.04 0.00 0.00 177.00 177.02 2pjs s VAL 91 N -1.51 0.03 -0.27 -0.36 0.11 -0.30 -4.97 120.40 113.12 2pjs s VAL 91 Ca 0.72 -0.23 -0.19 0.00 -2.93 0.00 0.00 61.98 59.35 2pjs s VAL 91 Cb -0.32 -0.70 -0.02 0.00 -1.53 0.00 0.00 36.38 33.81 2pjs s VAL 91 CO 0.37 -0.12 0.58 -0.89 -3.33 0.00 0.00 175.10 171.70 2pjs s THR 92 N -0.81 5.01 0.46 5.04 2.01 -1.26 -1.28 115.64 124.81 2pjs s THR 92 Ca -0.09 0.94 -0.08 0.00 0.31 0.00 0.00 61.69 62.77 2pjs s THR 92 Cb -0.03 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 2pjs s THR 92 CO 0.04 0.01 0.80 -1.61 -0.69 0.00 0.00 174.62 173.17 2pjs s GLU 93 N 2.44 3.66 0.59 4.92 0.41 0.89 -4.96 118.70 126.66 2pjs s GLU 93 Ca 0.24 0.39 0.32 0.00 -0.41 0.00 0.00 54.97 55.50 2pjs s GLU 93 Cb -0.15 -2.35 1.88 0.00 -1.78 0.00 0.00 34.13 31.72 2pjs s GLU 93 CO 0.10 -0.16 2.25 0.00 -0.49 0.00 0.00 175.26 176.95 2pjs h ALA 94 N 0.66 1.38 -0.16 5.21 0.00 -1.97 -0.63 119.26 123.75 2pjs h ALA 94 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2pjs h ALA 94 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2pjs h ALA 94 CO 0.63 0.02 0.00 -2.67 0.00 0.00 0.00 179.25 177.23 2pjs n TRP 95 N -3.66 0.21 -1.04 0.00 2.14 -1.26 -4.90 117.44 108.92 2pjs n TRP 95 Ca -0.03 -0.10 0.00 0.00 2.07 0.00 0.00 57.50 59.44 2pjs n TRP 95 Cb 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.61 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 0.86 1.15 3.33 -1.67 0.00 -0.25 -5.09 105.19 103.53 2pjs n GLY 96 Ca 0.09 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.09 1.86 -0.14 1.61 -7.23 -1.25 -4.69 120.40 108.48 2pjs s VAL 97 Ca 0.00 -1.86 -0.03 0.00 -1.81 0.00 0.00 61.98 58.28 2pjs s VAL 97 Cb 0.00 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 35.09 2pjs s VAL 97 CO 0.00 -0.24 -0.03 -1.58 -0.31 0.00 0.00 175.10 172.94 2pjs s GLN 98 N -2.62 3.55 0.15 4.82 0.74 -0.16 -0.08 119.66 126.07 2pjs s GLN 98 Ca 0.15 -0.50 -0.15 0.00 0.05 0.00 0.00 55.36 54.91 2pjs s GLN 98 Cb -0.07 -2.90 0.02 0.00 1.10 0.00 0.00 33.01 31.17 2pjs s GLN 98 CO 0.06 0.33 0.40 -0.98 -0.55 0.00 0.00 175.29 174.55 2pjs s ARG 99 N 0.13 1.16 0.03 1.67 1.70 -0.40 -0.85 118.95 122.39 2pjs s ARG 99 Ca -0.00 -0.85 -0.01 0.00 -0.47 0.00 0.00 55.73 54.40 2pjs s ARG 99 Cb -0.13 0.46 -0.03 0.00 -0.57 0.00 0.00 34.95 34.68 2pjs s ARG 99 CO 0.03 -0.46 -0.02 -0.48 -1.08 0.00 0.00 175.30 173.29 2pjs s LEU 100 N -2.86 2.29 -0.05 -1.89 0.05 -0.26 -1.15 118.68 114.80 2pjs s LEU 100 Ca 0.07 -0.69 0.00 0.00 0.05 0.00 0.00 54.13 53.57 2pjs s LEU 100 Cb 0.01 0.19 -0.03 0.00 -2.05 0.00 0.00 46.19 44.31 2pjs s LEU 100 CO -0.07 -0.43 -0.04 -0.36 -0.55 0.00 0.00 176.35 174.90 2pjs s PHE 101 N -2.48 3.02 0.19 3.48 0.40 0.09 -0.78 117.98 121.91 2pjs s PHE 101 Ca -0.06 0.08 -0.11 0.00 -0.60 0.00 0.00 56.93 56.23 2pjs s PHE 101 Cb -0.02 -1.72 -0.00 0.00 0.51 0.00 0.00 43.02 41.79 2pjs s PHE 101 CO -0.05 0.40 0.37 -0.48 0.70 0.00 0.00 175.22 176.17 2pjs s LEU 102 N -1.02 0.64 0.16 -0.37 2.34 -0.56 0.02 118.68 119.88 2pjs s LEU 102 Ca 0.14 -0.83 -0.22 0.00 0.06 0.00 0.00 54.13 53.28 2pjs s LEU 102 Cb -0.11 1.48 -0.08 0.00 -0.56 0.00 0.00 46.19 46.93 2pjs s LEU 102 CO 0.04 -0.98 0.70 -0.13 -1.06 0.00 0.00 176.35 174.91 2pjs s ARG 103 N -3.97 4.36 0.76 1.48 1.81 -1.26 -0.14 118.95 122.00 2pjs s ARG 103 Ca 0.18 0.95 -0.06 0.00 -1.72 0.00 0.00 55.73 55.08 2pjs s ARG 103 Cb 0.02 -3.14 0.16 0.00 -0.45 0.00 0.00 34.95 31.54 2pjs s ARG 103 CO 0.02 0.54 1.04 -0.40 -0.68 0.00 0.00 175.30 175.82 2pjs n ASP 104 N 1.36 0.85 0.14 0.23 5.75 -0.33 -4.91 116.55 119.64 2pjs n ASP 104 Ca -0.06 -1.85 0.09 0.00 -0.01 0.00 0.00 54.79 52.97 2pjs n ASP 104 Cb 0.50 -0.72 0.50 0.00 -1.03 0.00 0.00 41.12 40.36 2pjs n ASP 104 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 2pjs n PRO 105 N -3.04 0.12 -0.22 0.11 -0.02 -1.26 -1.67 135.00 129.02 2pjs n PRO 105 Ca 0.15 0.60 0.06 0.00 -2.02 0.00 0.00 63.50 62.30 2pjs n PRO 105 Cb 0.55 -1.88 0.18 0.00 -0.02 0.00 0.00 33.50 32.32 2pjs n PRO 105 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2pjs n PHE 106 N -2.14 0.56 -1.00 6.00 3.72 -1.26 -4.95 117.46 118.38 2pjs n PHE 106 Ca -0.01 -0.53 -0.00 0.00 -0.05 0.00 0.00 57.45 56.86 2pjs n PHE 106 Cb 0.04 -0.05 -0.00 0.00 -0.94 0.00 0.00 39.48 38.53 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 0.56 0.47 3.78 1.37 0.00 -0.67 -5.02 105.19 105.68 2pjs n GLY 107 Ca 0.14 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.33 4.21 -0.33 1.61 -0.14 -1.26 -4.79 119.74 118.70 2pjs s LYS 108 Ca 0.00 1.53 -0.20 0.00 -1.36 0.00 0.00 55.97 55.94 2pjs s LYS 108 Cb 0.00 -2.59 -0.00 0.00 -1.68 0.00 0.00 37.83 33.55 2pjs s LYS 108 CO 0.00 -0.11 0.62 -1.17 -0.76 0.00 0.00 175.35 173.94 2pjs s LEU 109 N -2.54 4.21 -0.20 3.17 2.96 -1.26 -1.18 118.68 123.84 2pjs s LEU 109 Ca 0.57 0.25 -0.06 0.00 -0.22 0.00 0.00 54.13 54.67 2pjs s LEU 109 Cb -0.23 -2.78 -0.03 0.00 0.50 0.00 0.00 46.19 43.65 2pjs s LEU 109 CO 0.28 -0.54 0.03 -0.63 -1.32 0.00 0.00 176.35 174.18 2pjs s ILE 110 N 2.64 4.31 -0.45 6.68 -1.09 0.81 0.01 121.20 134.11 2pjs s ILE 110 Ca 0.24 -0.19 -0.18 0.00 -2.23 0.00 0.00 60.65 58.28 2pjs s ILE 110 Cb -0.15 -2.95 0.03 0.00 -1.58 0.00 0.00 42.46 37.81 2pjs s ILE 110 CO 0.13 0.42 0.53 0.21 -1.23 0.00 0.00 174.94 175.01 2pjs s ASN 111 N 0.86 6.23 -0.26 3.58 2.47 0.07 -1.49 114.94 126.40 2pjs s ASN 111 Ca 0.02 -0.69 -0.14 0.00 0.42 0.00 0.00 52.86 52.47 2pjs s ASN 111 Cb -0.14 -2.26 -0.04 0.00 -1.45 0.00 0.00 41.25 37.36 2pjs s ASN 111 CO 0.02 -0.71 0.33 -0.63 -3.72 0.00 0.00 177.10 172.40 2pjs s ILE 112 N 2.39 5.21 0.10 -5.21 -1.09 0.04 -0.30 121.20 122.34 2pjs s ILE 112 Ca 0.15 0.50 0.02 0.00 -2.23 0.00 0.00 60.65 59.09 2pjs s ILE 112 Cb -0.17 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.00 2pjs s ILE 112 CO 0.14 0.20 -0.07 -1.48 -1.23 0.00 0.00 174.94 172.50 2pjs s LEU 113 N 1.84 2.50 0.01 2.97 0.05 -0.69 -1.10 118.68 124.26 2pjs s LEU 113 Ca 0.14 -0.98 -0.08 0.00 0.05 0.00 0.00 54.13 53.26 2pjs s LEU 113 Cb -0.15 -0.09 0.00 0.00 -2.05 0.00 0.00 46.19 43.90 2pjs s LEU 113 CO 0.09 -0.45 0.16 -0.55 -0.55 0.00 0.00 176.35 175.05 2pjs s SER 114 N -2.96 0.02 0.00 1.48 0.15 -0.03 -0.87 113.70 111.49 2pjs s SER 114 Ca 0.11 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.53 2pjs s SER 114 Cb 0.04 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 2pjs s SER 114 CO -0.04 -0.41 0.34 0.00 1.20 0.00 0.00 173.24 174.32