#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjs n SER 2 N 0.00 0.00 -1.81 7.83 2.88 -1.26 -5.00 113.62 116.26 1xjs n SER 2 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 1xjs n SER 2 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1xjs n SER 2 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1xjs n PHE 3 N -0.53 -0.30 -4.28 0.66 3.72 -1.26 -4.95 117.46 110.52 1xjs n PHE 3 Ca 0.00 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.22 1xjs n PHE 3 Cb 0.00 -3.58 -0.09 0.00 -0.94 0.00 0.00 39.48 34.87 1xjs n PHE 3 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1xjs s ASN 4 N -2.57 1.28 -1.72 4.37 2.47 -1.26 -4.86 114.94 112.66 1xjs s ASN 4 Ca 0.00 -1.63 0.00 0.00 0.42 0.00 0.00 52.86 51.65 1xjs s ASN 4 Cb 0.00 0.48 0.00 0.00 -1.45 0.00 0.00 41.25 40.28 1xjs s ASN 4 CO 0.00 -0.97 0.00 0.00 -3.72 0.00 0.00 177.10 172.41 1xjs n ALA 5 N -0.53 -0.27 -0.94 1.71 0.00 -1.26 -2.18 120.51 117.04 1xjs n ALA 5 Ca 0.05 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1xjs n ALA 5 Cb 0.64 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1xjs n ALA 5 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xjs n ASN 6 N -0.69 -4.76 -0.03 0.00 5.15 -1.26 -4.84 115.26 108.83 1xjs n ASN 6 Ca -0.17 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.67 1xjs n ASN 6 Cb 0.55 -2.91 -0.10 0.00 -0.53 0.00 0.00 39.78 36.79 1xjs n ASN 6 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1xjs h LEU 7 N 0.00 0.19 -0.30 1.20 5.85 -1.81 -2.50 115.31 117.94 1xjs h LEU 7 Ca 0.00 -0.63 0.01 0.00 0.84 0.00 0.00 57.88 58.11 1xjs h LEU 7 Cb 0.73 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1xjs h LEU 7 CO 0.00 0.79 0.17 -0.78 -0.34 0.00 0.00 178.44 178.27 1xjs h ASP 8 N -0.39 0.27 1.08 1.25 3.58 -1.89 -1.98 116.42 118.33 1xjs h ASP 8 Ca -0.01 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 1xjs h ASP 8 Cb 0.77 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.76 1xjs h ASP 8 CO 0.03 0.20 -0.24 0.00 -2.88 0.00 0.00 179.24 176.34 1xjs h THR 9 N 0.34 0.54 0.18 2.25 1.03 -1.93 -1.60 112.91 113.72 1xjs h THR 9 Ca 0.12 -1.26 -0.01 0.00 -0.01 0.00 0.00 66.41 65.25 1xjs h THR 9 Cb 0.01 1.87 0.00 0.00 -1.07 0.00 0.00 68.15 68.96 1xjs h THR 9 CO -0.06 0.24 -0.09 0.25 -0.01 0.00 0.00 175.52 175.85 1xjs h LEU 10 N 0.00 -0.20 -0.72 0.00 5.85 -0.92 -2.71 115.31 116.61 1xjs h LEU 10 Ca -0.00 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1xjs h LEU 10 Cb 0.85 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1xjs h LEU 10 CO 0.03 0.28 0.00 0.10 -0.34 0.00 0.00 178.44 178.52 1xjs h TYR 11 N -0.76 0.00 -0.33 1.25 -0.00 -1.37 -0.33 116.97 115.42 1xjs h TYR 11 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.61 1xjs h TYR 11 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.23 1xjs h TYR 11 CO 0.07 0.00 -0.19 -0.09 -0.00 0.00 0.00 178.16 177.95 1xjs h ARG 12 N 0.00 0.62 -0.14 0.10 2.43 -1.30 0.56 114.38 116.66 1xjs h ARG 12 Ca 0.00 -0.22 -0.21 0.00 -0.81 0.00 0.00 59.98 58.74 1xjs h ARG 12 Cb 0.74 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1xjs h ARG 12 CO 0.00 0.78 -0.75 1.96 -1.51 0.00 0.00 179.97 180.45 1xjs h GLN 13 N 0.55 0.68 0.01 0.20 1.08 -1.03 -2.20 115.11 114.40 1xjs h GLN 13 Ca 0.09 -0.54 -0.00 0.00 -1.45 0.00 0.00 58.65 56.75 1xjs h GLN 13 Cb 0.64 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 1xjs h GLN 13 CO 0.05 1.16 -0.01 0.28 -0.95 0.00 0.00 178.83 179.36 1xjs h VAL 14 N 0.47 1.01 0.11 -0.54 2.07 -0.59 -1.23 116.25 117.54 1xjs h VAL 14 Ca -0.04 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.41 1xjs h VAL 14 Cb 1.35 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1xjs h VAL 14 CO 0.15 0.02 -0.14 0.40 0.02 0.00 0.00 177.57 178.02 1xjs h ILE 15 N -0.05 0.69 0.47 4.57 1.08 0.08 -0.79 117.51 123.55 1xjs h ILE 15 Ca -0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.44 1xjs h ILE 15 Cb 0.05 0.69 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 1xjs h ILE 15 CO 0.00 0.00 -0.23 -0.03 -0.69 0.00 0.00 178.15 177.21 1xjs h MET 16 N -0.29 -0.61 -0.27 2.37 4.05 -1.30 0.15 114.93 119.03 1xjs h MET 16 Ca 0.01 0.04 -0.16 0.00 -0.28 0.00 0.00 59.70 59.32 1xjs h MET 16 Cb 0.29 0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 1xjs h MET 16 CO -0.05 -0.40 -0.47 0.22 0.23 0.00 0.00 176.91 176.43 1xjs h ASP 17 N -0.65 0.77 1.64 1.39 3.58 -1.25 -2.70 116.42 119.20 1xjs h ASP 17 Ca -0.06 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.01 1xjs h ASP 17 Cb 0.49 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1xjs h ASP 17 CO 0.11 1.12 0.00 -0.74 -2.88 0.00 0.00 179.24 176.84 1xjs h HIS 18 N 0.56 0.00 -0.08 0.28 2.76 -1.09 -2.43 115.15 115.15 1xjs h HIS 18 Ca 0.03 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.10 1xjs h HIS 18 Cb 1.02 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.97 1xjs h HIS 18 CO 0.05 0.00 -0.43 -0.92 -1.30 0.00 0.00 177.93 175.33 1xjs h TYR 19 N 0.00 0.22 0.00 5.26 3.20 -0.37 -1.67 116.97 123.61 1xjs h TYR 19 Ca 0.00 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 1xjs h TYR 19 Cb 0.82 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 1xjs h TYR 19 CO 0.00 0.59 -0.19 -0.22 -1.64 0.00 0.00 178.16 176.70 1xjs h LYS 20 N 0.15 0.00 -7.22 1.82 3.64 -1.27 -3.44 116.57 110.25 1xjs h LYS 20 Ca 0.01 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.94 1xjs h LYS 20 Cb 0.82 0.00 0.07 0.00 -0.41 0.00 0.00 32.23 32.72 1xjs h LYS 20 CO 0.06 0.19 0.18 -0.80 -2.27 0.00 0.00 179.45 176.81 1xjs s ASN 21 N -6.13 4.87 0.12 4.20 0.02 -0.63 -5.02 114.94 112.36 1xjs s ASN 21 Ca 0.02 0.36 -0.32 0.00 -1.02 0.00 0.00 52.86 51.89 1xjs s ASN 21 Cb 0.09 -1.04 -0.12 0.00 0.02 0.00 0.00 41.25 40.20 1xjs s ASN 21 CO 0.64 -1.53 1.77 -2.65 0.02 0.00 0.00 177.10 175.34 1xjs n PRO 22 N -2.83 2.55 0.00 -0.60 -0.02 -1.26 -4.91 135.00 127.93 1xjs n PRO 22 Ca 0.08 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1xjs n PRO 22 Cb 0.60 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1xjs n PRO 22 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1xjs n ARG 23 N 5.00 0.00 -3.18 -0.52 0.63 -1.26 -4.92 116.66 112.41 1xjs n ARG 23 Ca 0.18 0.33 0.05 0.00 -0.92 0.00 0.00 57.85 57.49 1xjs n ARG 23 Cb 0.34 -1.28 -0.03 0.00 0.45 0.00 0.00 32.46 31.94 1xjs n ARG 23 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1xjs s ASN 24 N -2.11 -0.16 -0.22 6.15 2.20 -1.26 -4.87 114.94 114.66 1xjs s ASN 24 Ca 0.00 0.15 -0.04 0.00 -0.94 0.00 0.00 52.86 52.03 1xjs s ASN 24 Cb 0.00 1.15 0.11 0.00 -2.00 0.00 0.00 41.25 40.51 1xjs s ASN 24 CO 0.00 -0.03 0.32 -0.54 -2.94 0.00 0.00 177.10 173.91 1xjs s LYS 25 N 2.59 0.28 0.00 3.55 -0.14 0.11 -4.60 119.74 121.53 1xjs s LYS 25 Ca -0.04 0.47 0.00 0.00 -1.36 0.00 0.00 55.97 55.04 1xjs s LYS 25 Cb -0.06 -0.63 0.00 0.00 -1.68 0.00 0.00 37.83 35.46 1xjs s LYS 25 CO -0.12 -0.59 0.00 0.41 -0.76 0.00 0.00 175.35 174.29 1xjs n GLY 26 N 5.35 4.22 2.64 -3.33 0.00 -1.15 -4.51 105.19 108.41 1xjs n GLY 26 Ca -0.05 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 1xjs n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xjs s VAL 27 N -1.23 0.26 -0.85 1.61 1.01 -1.26 -2.36 120.40 117.58 1xjs s VAL 27 Ca 0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 1xjs s VAL 27 Cb 0.00 -1.03 0.22 0.00 0.00 0.00 0.00 36.38 35.57 1xjs s VAL 27 CO 0.00 -0.49 0.77 -0.22 0.00 0.00 0.00 175.10 175.16 1xjs s LEU 28 N 1.96 6.32 -0.69 3.92 0.20 -1.26 -5.01 118.68 124.12 1xjs s LEU 28 Ca 0.05 -2.96 -0.27 0.00 0.69 0.00 0.00 54.13 51.64 1xjs s LEU 28 Cb -0.17 -2.12 0.01 0.00 -0.43 0.00 0.00 46.19 43.49 1xjs s LEU 28 CO -0.21 -0.45 1.45 0.20 -0.29 0.00 0.00 176.35 177.05 1xjs s ASN 29 N 1.56 5.91 0.00 3.68 -0.87 -1.26 -4.53 114.94 119.42 1xjs s ASN 29 Ca 0.21 -0.17 0.00 0.00 -1.57 0.00 0.00 52.86 51.32 1xjs s ASN 29 Cb -0.12 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.56 1xjs s ASN 29 CO -0.08 -1.98 0.00 -0.67 -2.57 0.00 0.00 177.10 171.80 1xjs n ASP 30 N 10.35 0.00 0.00 -1.22 2.03 -1.26 -5.09 116.55 121.36 1xjs n ASP 30 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1xjs n ASP 30 Cb 0.50 0.22 0.00 0.00 -0.72 0.00 0.00 41.12 41.12 1xjs n ASP 30 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1xjs n SER 31 N -2.30 0.00 -4.61 1.67 3.41 -1.26 -4.97 113.62 105.56 1xjs n SER 31 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1xjs n SER 31 Cb 0.00 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 63.83 1xjs n SER 31 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1xjs s ILE 32 N -0.93 4.81 -0.41 -1.33 1.01 -1.04 -4.99 121.20 118.32 1xjs s ILE 32 Ca 0.00 1.09 0.01 0.00 0.00 0.00 0.00 60.65 61.76 1xjs s ILE 32 Cb 0.00 -4.13 0.13 0.00 0.01 0.00 0.00 42.46 38.47 1xjs s ILE 32 CO 0.00 -0.25 0.21 -0.69 0.00 0.00 0.00 174.94 174.21 1xjs s VAL 33 N 2.92 1.10 -0.34 2.92 1.01 -1.26 -1.97 120.40 124.78 1xjs s VAL 33 Ca 0.31 -2.25 -0.02 0.00 0.00 0.00 0.00 61.98 60.02 1xjs s VAL 33 Cb -0.14 -1.78 0.07 0.00 0.00 0.00 0.00 36.38 34.53 1xjs s VAL 33 CO 0.13 -0.89 0.08 -0.69 0.00 0.00 0.00 175.10 173.74 1xjs s VAL 34 N 0.65 3.09 -0.23 2.92 1.01 -0.29 -5.03 120.40 122.53 1xjs s VAL 34 Ca 0.17 -1.68 -0.07 0.00 0.00 0.00 0.00 61.98 60.40 1xjs s VAL 34 Cb -0.23 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1xjs s VAL 34 CO -0.02 -0.35 0.07 -1.81 0.00 0.00 0.00 175.10 172.98 1xjs s ASP 35 N 1.45 5.26 0.21 3.32 1.01 -1.26 -1.18 116.67 125.48 1xjs s ASP 35 Ca 0.01 -0.12 0.09 0.00 0.71 0.00 0.00 52.55 53.23 1xjs s ASP 35 Cb -0.21 -1.93 -0.05 0.00 1.01 0.00 0.00 42.92 41.75 1xjs s ASP 35 CO -0.02 0.03 -0.16 -0.32 0.21 0.00 0.00 175.17 174.90 1xjs s MET 36 N 1.23 1.39 -0.21 8.23 1.75 -0.86 -4.97 119.30 125.85 1xjs s MET 36 Ca 0.05 -1.59 -0.19 0.00 -1.25 0.00 0.00 55.69 52.70 1xjs s MET 36 Cb -0.14 -1.29 0.06 0.00 2.84 0.00 0.00 34.83 36.29 1xjs s MET 36 CO 0.03 0.23 0.56 0.54 -0.65 0.00 0.00 175.02 175.74 1xjs s ASN 37 N -3.23 -0.60 -0.34 1.11 2.20 -1.26 -1.46 114.94 111.37 1xjs s ASN 37 Ca 0.23 1.14 -0.01 0.00 -0.94 0.00 0.00 52.86 53.28 1xjs s ASN 37 Cb -0.03 1.15 0.12 0.00 -2.00 0.00 0.00 41.25 40.50 1xjs s ASN 37 CO 0.08 -0.20 0.17 0.21 -2.94 0.00 0.00 177.10 174.43 1xjs s ASN 38 N 0.38 3.43 0.00 3.54 3.84 0.14 -4.90 114.94 121.37 1xjs s ASN 38 Ca -0.01 -1.93 -0.01 0.00 0.21 0.00 0.00 52.86 51.12 1xjs s ASN 38 Cb -0.04 -0.58 -0.07 0.00 -0.55 0.00 0.00 41.25 40.01 1xjs s ASN 38 CO -0.00 -0.36 1.29 -2.65 -2.79 0.00 0.00 177.10 172.59 1xjs n PRO 39 N 4.42 0.53 0.00 0.43 -0.02 -1.26 -0.59 135.00 138.51 1xjs n PRO 39 Ca 0.04 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 1xjs n PRO 39 Cb 0.39 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1xjs n PRO 39 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1xjs n THR 40 N 2.74 0.00 -0.68 3.45 -1.04 -1.26 -4.97 114.28 112.52 1xjs n THR 40 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1xjs n THR 40 Cb 0.25 -0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.75 1xjs n THR 40 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xjs n GLY 42 N -0.12 1.67 0.12 0.00 0.00 0.24 -4.23 105.19 102.87 1xjs n GLY 42 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 1xjs n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xjs n ASP 43 N -1.02 -0.30 -3.96 1.61 2.03 -0.90 0.24 116.55 114.25 1xjs n ASP 43 Ca -0.09 1.17 -0.16 0.00 0.52 0.00 0.00 54.79 56.22 1xjs n ASP 43 Cb 0.86 -0.40 -0.14 0.00 -0.72 0.00 0.00 41.12 40.72 1xjs n ASP 43 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1xjs s ARG 44 N -3.74 0.44 -0.19 -0.67 0.52 -0.08 -3.52 118.95 111.72 1xjs s ARG 44 Ca -0.03 -0.21 -0.05 0.00 -0.52 0.00 0.00 55.73 54.92 1xjs s ARG 44 Cb 0.03 -0.42 0.07 0.00 0.52 0.00 0.00 34.95 35.15 1xjs s ARG 44 CO 0.18 0.11 0.10 -1.50 0.02 0.00 0.00 175.30 174.20 1xjs s ILE 45 N -0.16 -0.08 -0.48 1.52 2.07 -0.53 0.06 121.20 123.61 1xjs s ILE 45 Ca 0.02 -0.25 -0.20 0.00 -1.41 0.00 0.00 60.65 58.81 1xjs s ILE 45 Cb -0.02 -0.64 0.04 0.00 0.13 0.00 0.00 42.46 41.97 1xjs s ILE 45 CO -0.00 -0.34 0.63 -0.13 -1.91 0.00 0.00 174.94 173.19 1xjs s ARG 46 N 2.13 3.19 -0.28 3.50 1.81 0.14 -2.02 118.95 127.42 1xjs s ARG 46 Ca 0.03 -0.64 0.02 0.00 -1.72 0.00 0.00 55.73 53.42 1xjs s ARG 46 Cb -0.16 -4.03 0.08 0.00 -0.45 0.00 0.00 34.95 30.39 1xjs s ARG 46 CO -0.13 -1.12 -0.03 -1.17 -0.68 0.00 0.00 175.30 172.17 1xjs s LEU 47 N 2.74 3.48 -0.18 2.53 2.96 -0.33 -1.38 118.68 128.51 1xjs s LEU 47 Ca 0.19 -1.58 0.00 0.00 -0.22 0.00 0.00 54.13 52.52 1xjs s LEU 47 Cb -0.17 -1.41 0.04 0.00 0.50 0.00 0.00 46.19 45.15 1xjs s LEU 47 CO 0.15 -0.28 -0.10 0.42 -1.32 0.00 0.00 176.35 175.23 1xjs s THR 48 N 1.17 1.49 0.07 3.68 -4.23 0.28 -1.13 115.64 116.97 1xjs s THR 48 Ca -0.01 -0.85 0.07 0.00 -1.18 0.00 0.00 61.69 59.72 1xjs s THR 48 Cb -0.19 -1.57 -0.04 0.00 1.34 0.00 0.00 72.50 72.04 1xjs s THR 48 CO -0.08 0.20 -0.14 -0.04 -0.54 0.00 0.00 174.62 174.03 1xjs s MET 49 N 1.47 2.12 -0.83 3.99 -1.94 -0.83 0.61 119.30 123.88 1xjs s MET 49 Ca 0.00 -0.99 -0.07 0.00 -1.71 0.00 0.00 55.69 52.93 1xjs s MET 49 Cb -0.15 -2.26 0.21 0.00 2.01 0.00 0.00 34.83 34.63 1xjs s MET 49 CO -0.08 0.53 0.72 0.21 -0.01 0.00 0.00 175.02 176.39 1xjs s LYS 50 N -1.79 3.29 -1.11 2.03 2.36 0.19 -2.50 119.74 122.21 1xjs s LYS 50 Ca 0.18 -2.81 -0.15 0.00 -2.55 0.00 0.00 55.97 50.64 1xjs s LYS 50 Cb -0.11 -4.11 0.17 0.00 -1.05 0.00 0.00 37.83 32.73 1xjs s LYS 50 CO 0.09 -1.24 1.30 -0.48 1.55 0.00 0.00 175.35 176.57 1xjs s LEU 51 N -0.52 5.26 -1.39 5.43 0.05 -1.24 -1.55 118.68 124.71 1xjs s LEU 51 Ca 0.22 -2.80 -0.08 0.00 0.05 0.00 0.00 54.13 51.52 1xjs s LEU 51 Cb -0.12 -2.37 0.08 0.00 -2.05 0.00 0.00 46.19 41.72 1xjs s LEU 51 CO -0.08 -0.77 2.39 -0.67 -0.55 0.00 0.00 176.35 176.67 1xjs n ASP 52 N 5.50 7.18 0.00 1.48 2.03 -1.26 -4.52 116.55 126.98 1xjs n ASP 52 Ca 0.31 -2.98 0.00 0.00 0.52 0.00 0.00 54.79 52.64 1xjs n ASP 52 Cb 0.44 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 1xjs n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xjs n GLY 53 N 2.58 0.32 1.79 0.27 0.00 -1.26 -4.86 105.19 104.03 1xjs n GLY 53 Ca 0.60 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.50 1xjs n GLY 53 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xjs n ASP 54 N 0.00 -0.03 -4.03 1.61 5.75 -1.26 -5.09 116.55 113.50 1xjs n ASP 54 Ca 0.00 -2.05 -0.12 0.00 -0.01 0.00 0.00 54.79 52.61 1xjs n ASP 54 Cb 0.00 0.06 -0.12 0.00 -1.03 0.00 0.00 41.12 40.03 1xjs n ASP 54 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1xjs s ILE 55 N -0.64 0.42 -0.99 2.12 -0.00 -1.26 -2.27 121.20 118.58 1xjs s ILE 55 Ca 0.17 -0.91 -0.20 0.00 -0.00 0.00 0.00 60.65 59.71 1xjs s ILE 55 Cb 0.26 -0.48 0.10 0.00 -0.00 0.00 0.00 42.46 42.33 1xjs s ILE 55 CO -0.08 -0.34 1.29 -0.69 -0.00 0.00 0.00 174.94 175.12 1xjs s VAL 56 N -1.21 4.40 -0.05 8.37 1.01 -0.48 -3.64 120.40 128.81 1xjs s VAL 56 Ca -0.10 -1.31 -0.00 0.00 0.00 0.00 0.00 61.98 60.57 1xjs s VAL 56 Cb -0.09 -4.91 -0.00 0.00 0.00 0.00 0.00 36.38 31.38 1xjs s VAL 56 CO 0.00 -1.70 -0.01 -0.08 0.00 0.00 0.00 175.10 173.31 1xjs h GLU 57 N 9.10 0.00 -6.01 2.72 4.81 -1.55 -3.41 114.58 120.23 1xjs h GLU 57 Ca 0.19 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.81 1xjs h GLU 57 Cb 1.01 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.26 1xjs h GLU 57 CO 1.25 0.00 -0.68 0.34 -0.73 0.00 0.00 179.01 179.19 1xjs s ASP 58 N -4.30 3.81 -0.23 1.04 2.15 -1.16 -4.93 116.67 113.05 1xjs s ASP 58 Ca -0.01 -1.11 -0.14 0.00 0.43 0.00 0.00 52.55 51.72 1xjs s ASP 58 Cb 0.00 -0.39 0.07 0.00 -0.30 0.00 0.00 42.92 42.31 1xjs s ASP 58 CO 0.01 -0.16 0.58 0.00 -0.17 0.00 0.00 175.17 175.43 1xjs s ALA 59 N -2.57 -1.54 -0.11 3.66 0.00 -1.26 0.53 121.76 120.47 1xjs s ALA 59 Ca 0.32 2.03 0.01 0.00 0.00 0.00 0.00 51.96 54.32 1xjs s ALA 59 Cb 0.00 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 1xjs s ALA 59 CO 0.17 -0.33 -0.13 0.15 0.00 0.00 0.00 175.76 175.61 1xjs s LYS 60 N 1.43 3.21 -0.02 0.00 3.01 0.20 -4.95 119.74 122.63 1xjs s LYS 60 Ca -0.09 -0.69 -0.01 0.00 -1.01 0.00 0.00 55.97 54.17 1xjs s LYS 60 Cb -0.06 -2.58 0.01 0.00 -1.01 0.00 0.00 37.83 34.19 1xjs s LYS 60 CO -0.15 0.29 0.03 -0.59 0.51 0.00 0.00 175.35 175.44 1xjs s PHE 61 N 0.14 -0.01 -0.15 3.18 -0.71 -1.00 -0.56 117.98 118.88 1xjs s PHE 61 Ca -0.07 0.10 -0.05 0.00 -1.04 0.00 0.00 56.93 55.87 1xjs s PHE 61 Cb -0.15 -0.08 0.07 0.00 -1.21 0.00 0.00 43.02 41.65 1xjs s PHE 61 CO 0.05 -0.05 0.32 -2.00 -1.34 0.00 0.00 175.22 172.20 1xjs s GLU 62 N 0.45 0.21 -0.06 1.99 2.12 -0.48 -0.71 118.70 122.23 1xjs s GLU 62 Ca -0.04 0.85 0.05 0.00 0.36 0.00 0.00 54.97 56.19 1xjs s GLU 62 Cb -0.05 0.09 -0.00 0.00 0.26 0.00 0.00 34.13 34.43 1xjs s GLU 62 CO -0.01 -0.27 -0.21 0.20 -0.54 0.00 0.00 175.26 174.42 1xjs s GLY 63 N 2.49 1.13 -0.15 -1.50 0.00 -1.26 0.28 107.32 108.31 1xjs s GLY 63 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.86 1xjs s GLY 63 CO -0.10 -0.45 -0.14 1.85 0.00 0.00 0.00 173.10 174.26 1xjs s GLU 64 N 0.03 2.32 0.00 2.90 2.12 0.11 -4.81 118.70 121.37 1xjs s GLU 64 Ca -0.07 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 54.70 1xjs s GLU 64 Cb -0.14 -2.11 0.00 0.00 0.26 0.00 0.00 34.13 32.15 1xjs s GLU 64 CO 0.04 -0.22 0.00 0.41 -0.54 0.00 0.00 175.26 174.95 1xjs n GLY 65 N 4.72 -0.53 3.95 -1.50 0.00 -1.26 -0.90 105.19 109.67 1xjs n GLY 65 Ca -0.17 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 1xjs n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xjs h SER 67 N 0.04 1.01 0.34 0.00 0.02 -1.99 -2.41 113.55 110.57 1xjs h SER 67 Ca -0.45 -0.02 -0.21 0.00 -0.84 0.00 0.00 61.79 60.27 1xjs h SER 67 Cb 1.27 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.56 1xjs h SER 67 CO 0.57 0.73 -0.87 0.16 -1.14 0.00 0.00 176.83 176.28 1xjs h ILE 68 N 1.19 1.41 -0.22 3.27 -0.00 -1.97 -2.54 117.51 118.66 1xjs h ILE 68 Ca 0.33 -2.37 -0.19 0.00 -0.00 0.00 0.00 64.86 62.63 1xjs h ILE 68 Cb -0.11 2.33 0.00 0.00 -0.00 0.00 0.00 36.82 39.03 1xjs h ILE 68 CO -0.08 0.71 -0.62 0.77 -0.00 0.00 0.00 178.15 178.93 1xjs h SER 69 N 0.23 0.86 1.56 2.16 4.64 -1.84 0.25 113.55 121.41 1xjs h SER 69 Ca -0.06 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 1xjs h SER 69 Cb 1.48 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1xjs h SER 69 CO 0.15 1.27 0.00 0.00 -0.87 0.00 0.00 176.83 177.38 1xjs h MET 70 N 0.56 0.00 0.00 4.77 -0.00 -1.51 -2.99 114.93 115.76 1xjs h MET 70 Ca -0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.63 1xjs h MET 70 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.81 1xjs h MET 70 CO 0.13 0.00 -0.51 0.00 -0.00 0.00 0.00 176.91 176.53 1xjs h ALA 71 N 2.18 0.07 -0.03 -3.00 0.00 -1.00 -3.35 119.26 114.13 1xjs h ALA 71 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1xjs h ALA 71 Cb 0.78 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1xjs h ALA 71 CO 0.00 0.35 0.02 0.77 0.00 0.00 0.00 179.25 180.39 1xjs h SER 72 N -1.00 0.03 -0.86 0.00 0.02 -0.63 -2.51 113.55 108.61 1xjs h SER 72 Ca -0.10 -0.02 0.19 0.00 -0.84 0.00 0.00 61.79 61.03 1xjs h SER 72 Cb 0.71 -0.01 -0.11 0.00 0.14 0.00 0.00 62.40 63.13 1xjs h SER 72 CO -0.06 0.04 0.37 0.00 -1.14 0.00 0.00 176.83 176.04 1xjs h ALA 73 N 1.00 1.31 -0.01 3.77 0.00 -1.73 0.56 119.26 124.16 1xjs h ALA 73 Ca 0.01 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1xjs h ALA 73 Cb 0.01 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1xjs h ALA 73 CO -0.00 -0.28 -0.58 0.77 0.00 0.00 0.00 179.25 179.16 1xjs h SER 74 N 0.44 0.03 0.08 0.00 0.02 -1.61 0.67 113.55 113.18 1xjs h SER 74 Ca 0.51 -0.02 -0.25 0.00 -0.84 0.00 0.00 61.79 61.19 1xjs h SER 74 Cb 0.89 -0.01 0.02 0.00 0.14 0.00 0.00 62.40 63.45 1xjs h SER 74 CO -0.48 0.61 -1.02 0.24 -1.14 0.00 0.00 176.83 175.03 1xjs h MET 75 N 0.02 0.55 -0.76 3.45 2.86 -0.38 -2.33 114.93 118.34 1xjs h MET 75 Ca -0.01 -0.70 0.05 0.00 -2.06 0.00 0.00 59.70 56.98 1xjs h MET 75 Cb 1.03 0.22 -0.05 0.00 0.06 0.00 0.00 31.60 32.87 1xjs h MET 75 CO 0.08 1.30 0.50 0.52 1.06 0.00 0.00 176.91 180.37 1xjs h MET 76 N 0.13 0.84 -0.23 1.72 2.86 0.08 0.16 114.93 120.49 1xjs h MET 76 Ca -0.15 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.38 1xjs h MET 76 Cb 1.72 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 33.18 1xjs h MET 76 CO 0.20 0.56 -0.12 1.15 1.06 0.00 0.00 176.91 179.75 1xjs h THR 77 N 0.87 1.21 0.06 2.22 2.02 -0.74 0.28 112.91 118.83 1xjs h THR 77 Ca 0.32 -0.90 -0.26 0.00 0.77 0.00 0.00 66.41 66.33 1xjs h THR 77 Cb 0.15 1.17 0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1xjs h THR 77 CO -0.10 0.29 -1.07 -0.61 0.37 0.00 0.00 175.52 174.39 1xjs h GLN 78 N 0.35 0.62 -0.58 6.66 5.75 -0.48 0.13 115.11 127.55 1xjs h GLN 78 Ca 0.07 -0.75 -0.05 0.00 -0.15 0.00 0.00 58.65 57.77 1xjs h GLN 78 Cb 0.43 0.23 -0.03 0.00 1.07 0.00 0.00 27.48 29.19 1xjs h GLN 78 CO 0.02 1.32 0.16 0.00 -2.65 0.00 0.00 178.83 177.69 1xjs h ALA 79 N 0.32 1.20 0.00 3.38 0.00 -0.60 -2.86 119.26 120.70 1xjs h ALA 79 Ca -0.15 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 1xjs h ALA 79 Cb 1.75 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1xjs h ALA 79 CO 0.21 0.56 -0.68 0.97 0.00 0.00 0.00 179.25 180.30 1xjs h ILE 80 N 0.85 1.30 0.00 0.00 -0.00 -0.29 -3.04 117.51 116.34 1xjs h ILE 80 Ca 0.19 -2.51 0.00 0.00 -0.00 0.00 0.00 64.86 62.54 1xjs h ILE 80 Cb 0.28 2.42 0.00 0.00 -0.00 0.00 0.00 36.82 39.52 1xjs h ILE 80 CO -0.01 0.67 0.00 0.50 -0.00 0.00 0.00 178.15 179.32 1xjs h LYS 81 N 0.00 0.00 -0.86 2.19 3.64 -0.51 -1.82 116.57 119.21 1xjs h LYS 81 Ca -0.01 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.91 1xjs h LYS 81 Cb 1.37 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.92 1xjs h LYS 81 CO 0.09 0.00 0.49 0.41 -2.27 0.00 0.00 179.45 178.17 1xjs n GLY 82 N -0.57 4.76 3.27 5.01 0.00 -1.15 -4.67 105.19 111.84 1xjs n GLY 82 Ca -0.01 -1.27 -0.14 0.00 0.00 0.00 0.00 46.02 44.59 1xjs n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xjs s LYS 83 N -3.35 1.23 0.00 1.61 1.02 -0.69 -5.08 119.74 114.49 1xjs s LYS 83 Ca 0.55 -1.63 0.00 0.00 0.02 0.00 0.00 55.97 54.91 1xjs s LYS 83 Cb 0.47 -0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.55 1xjs s LYS 83 CO 0.07 -0.21 0.00 -0.25 -0.92 0.00 0.00 175.35 174.04 1xjs n ASP 84 N -0.33 1.63 -0.03 2.83 8.00 -1.26 -1.38 116.55 126.02 1xjs n ASP 84 Ca -0.03 -0.24 -0.20 0.00 0.71 0.00 0.00 54.79 55.03 1xjs n ASP 84 Cb 0.65 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.61 1xjs n ASP 84 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1xjs h ILE 85 N 0.19 1.15 -0.69 0.53 5.03 -1.80 -2.62 117.51 119.31 1xjs h ILE 85 Ca 0.00 -2.35 -0.02 0.00 -0.12 0.00 0.00 64.86 62.37 1xjs h ILE 85 Cb 0.00 2.74 -0.03 0.00 -3.03 0.00 0.00 36.82 36.49 1xjs h ILE 85 CO 0.00 0.60 0.35 -0.33 -0.68 0.00 0.00 178.15 178.09 1xjs h GLU 86 N -0.58 0.98 0.00 2.37 3.07 -1.98 -0.46 114.58 117.97 1xjs h GLU 86 Ca -0.26 -0.12 -0.09 0.00 -0.50 0.00 0.00 59.36 58.39 1xjs h GLU 86 Cb 1.52 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 29.23 1xjs h GLU 86 CO -0.01 0.74 -0.64 1.79 -1.40 0.00 0.00 179.01 179.49 1xjs h THR 87 N 0.98 0.55 0.12 1.13 1.35 -1.95 -2.99 112.91 112.10 1xjs h THR 87 Ca 0.24 -1.84 -0.20 0.00 -0.55 0.00 0.00 66.41 64.06 1xjs h THR 87 Cb 0.07 2.18 0.02 0.00 -1.73 0.00 0.00 68.15 68.70 1xjs h THR 87 CO -0.03 0.31 -0.86 0.00 -0.25 0.00 0.00 175.52 174.69 1xjs h ALA 88 N 1.62 -0.05 -0.66 6.62 0.00 -1.05 -1.56 119.26 124.19 1xjs h ALA 88 Ca -0.03 -0.69 -0.07 0.00 0.00 0.00 0.00 54.91 54.12 1xjs h ALA 88 Cb 1.32 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1xjs h ALA 88 CO 0.04 0.42 0.14 -0.07 0.00 0.00 0.00 179.25 179.79 1xjs h LEU 89 N -0.20 1.00 -0.45 0.00 4.07 -1.20 -0.34 115.31 118.18 1xjs h LEU 89 Ca -0.14 -0.21 -0.17 0.00 0.08 0.00 0.00 57.88 57.43 1xjs h LEU 89 Cb 1.63 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 43.11 1xjs h LEU 89 CO 0.16 0.97 -0.65 0.77 -1.08 0.00 0.00 178.44 178.62 1xjs h SER 90 N 1.00 0.55 -0.15 -0.43 4.64 -1.62 0.95 113.55 118.49 1xjs h SER 90 Ca 0.21 -0.33 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 1xjs h SER 90 Cb 0.38 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1xjs h SER 90 CO 0.00 1.05 0.07 -0.03 -0.87 0.00 0.00 176.83 177.05 1xjs h MET 91 N 0.34 0.28 0.02 4.77 1.85 -0.74 0.12 114.93 121.57 1xjs h MET 91 Ca -0.02 -0.03 -0.26 0.00 -0.61 0.00 0.00 59.70 58.79 1xjs h MET 91 Cb 1.21 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 33.15 1xjs h MET 91 CO 0.12 0.25 -1.37 1.03 -0.40 0.00 0.00 176.91 176.54 1xjs h SER 92 N 0.28 0.07 -0.22 1.39 0.87 -0.76 0.13 113.55 115.31 1xjs h SER 92 Ca 0.07 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1xjs h SER 92 Cb 0.08 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1xjs h SER 92 CO -0.01 1.08 0.09 0.50 -0.53 0.00 0.00 176.83 177.97 1xjs h LYS 93 N 0.01 0.33 0.00 2.24 3.64 -0.09 0.22 116.57 122.92 1xjs h LYS 93 Ca -0.16 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.10 1xjs h LYS 93 Cb 1.91 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.67 1xjs h LYS 93 CO 0.12 0.38 -0.29 -0.84 -2.27 0.00 0.00 179.45 176.54 1xjs h ILE 94 N 0.20 0.61 -0.60 2.00 3.07 -0.85 0.34 117.51 122.29 1xjs h ILE 94 Ca 0.07 -1.46 -0.05 0.00 1.55 0.00 0.00 64.86 64.97 1xjs h ILE 94 Cb 0.18 2.00 -0.03 0.00 -0.27 0.00 0.00 36.82 38.70 1xjs h ILE 94 CO -0.01 0.29 0.19 0.15 -1.05 0.00 0.00 178.15 177.72 1xjs h PHE 95 N 0.00 0.96 0.02 0.16 3.57 -0.28 -1.97 116.94 119.41 1xjs h PHE 95 Ca -0.00 -0.10 -0.22 0.00 3.53 0.00 0.00 57.97 61.18 1xjs h PHE 95 Cb 0.97 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 1xjs h PHE 95 CO 0.00 0.80 -1.04 1.03 -2.23 0.00 0.00 178.31 176.87 1xjs h SER 96 N 0.85 0.05 -0.36 0.41 0.87 -0.29 -3.34 113.55 111.74 1xjs h SER 96 Ca 0.19 -0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.65 1xjs h SER 96 Cb 0.29 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1xjs h SER 96 CO -0.01 1.05 0.04 -0.78 -0.53 0.00 0.00 176.83 176.59 1xjs h ASP 97 N 0.01 0.59 0.00 6.23 1.82 -0.18 -2.95 116.42 121.93 1xjs h ASP 97 Ca -0.03 -0.28 0.00 0.00 -0.39 0.00 0.00 57.03 56.33 1xjs h ASP 97 Cb 1.80 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.65 1xjs h ASP 97 CO 0.14 0.72 0.29 0.00 -1.61 0.00 0.00 179.24 178.78 1xjs h MET 98 N 0.43 0.00 -0.61 0.28 -0.00 -1.41 0.96 114.93 114.58 1xjs h MET 98 Ca 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.80 1xjs h MET 98 Cb 0.40 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.97 1xjs h MET 98 CO 0.01 0.00 0.37 1.98 -0.00 0.00 0.00 176.91 179.27 1xjs h MET 99 N 0.00 0.82 0.00 -0.10 1.85 -1.72 -3.35 114.93 112.43 1xjs h MET 99 Ca 0.00 -0.07 0.00 0.00 -0.61 0.00 0.00 59.70 59.02 1xjs h MET 99 Cb 0.58 -0.18 0.00 0.00 0.43 0.00 0.00 31.60 32.44 1xjs h MET 99 CO 0.00 0.57 0.00 0.94 -0.40 0.00 0.00 176.91 178.02 1xjs n GLN 100 N -4.42 0.00 0.20 0.39 7.27 0.37 -4.87 117.38 116.32 1xjs n GLN 100 Ca 0.06 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.17 1xjs n GLN 100 Cb 0.07 -0.46 0.41 0.00 2.41 0.00 0.00 30.24 32.67 1xjs n GLN 100 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1xjs h GLY 101 N 0.00 0.00 -0.00 1.69 0.00 0.58 -3.46 103.07 101.88 1xjs h GLY 101 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xjs h GLY 101 CO 0.00 0.00 -0.00 1.17 0.00 0.00 0.00 176.54 177.71 1xjs n LYS 102 N -4.02 -0.05 -3.32 4.80 4.81 -1.13 -4.93 118.16 114.32 1xjs n LYS 102 Ca -0.02 0.02 -0.46 0.00 -0.87 0.00 0.00 58.31 56.99 1xjs n LYS 102 Cb 0.38 -3.07 -0.05 0.00 0.02 0.00 0.00 35.03 32.31 1xjs n LYS 102 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1xjs s GLU 103 N -0.08 2.98 0.00 1.64 2.02 -1.26 -4.90 118.70 119.10 1xjs s GLU 103 Ca 0.00 -1.73 0.00 0.00 0.02 0.00 0.00 54.97 53.26 1xjs s GLU 103 Cb 0.00 -4.28 0.00 0.00 0.10 0.00 0.00 34.13 29.95 1xjs s GLU 103 CO 0.00 -1.32 0.00 2.48 0.02 0.00 0.00 175.26 176.44 1xjs n TYR 104 N 5.20 0.00 -3.51 1.61 4.11 -1.26 -3.57 117.16 119.74 1xjs n TYR 104 Ca -0.13 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.35 1xjs n TYR 104 Cb 0.40 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.64 1xjs n TYR 104 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1xjs s ASP 105 N -1.00 5.97 0.06 9.48 2.15 -1.26 -4.89 116.67 127.18 1xjs s ASP 105 Ca 0.00 -0.99 0.08 0.00 0.43 0.00 0.00 52.55 52.07 1xjs s ASP 105 Cb 0.00 -2.11 0.39 0.00 -0.30 0.00 0.00 42.92 40.90 1xjs s ASP 105 CO 0.00 -0.45 1.26 -0.90 -0.17 0.00 0.00 175.17 174.92 1xjs n ASP 106 N 5.10 0.12 0.12 -0.34 5.75 -1.26 0.45 116.55 126.48 1xjs n ASP 106 Ca -0.11 0.55 0.12 0.00 -0.01 0.00 0.00 54.79 55.34 1xjs n ASP 106 Cb 0.46 -0.57 0.24 0.00 -1.03 0.00 0.00 41.12 40.22 1xjs n ASP 106 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1xjs h SER 107 N 0.00 0.00 -2.61 -1.12 0.02 -2.05 -3.48 113.55 104.31 1xjs h SER 107 Ca 0.00 -0.06 -0.29 0.00 -0.84 0.00 0.00 61.79 60.60 1xjs h SER 107 Cb 0.09 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.65 1xjs h SER 107 CO 0.00 0.03 -0.40 -0.38 -1.14 0.00 0.00 176.83 174.94 1xjs n ILE 108 N -2.45 -1.01 -1.66 3.27 2.08 0.17 -4.88 119.36 114.88 1xjs n ILE 108 Ca 0.04 0.00 -0.41 0.00 0.56 0.00 0.00 62.75 62.94 1xjs n ILE 108 Cb 0.47 -2.47 -0.01 0.00 -0.75 0.00 0.00 39.64 36.88 1xjs n ILE 108 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1xjs n ASP 109 N -0.99 5.79 0.00 4.38 2.03 -1.26 -4.30 116.55 122.19 1xjs n ASP 109 Ca -0.13 -2.79 0.00 0.00 0.52 0.00 0.00 54.79 52.38 1xjs n ASP 109 Cb 0.61 -1.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 1xjs n ASP 109 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1xjs n LEU 110 N 4.86 1.17 0.02 -2.67 4.77 -1.26 -4.59 117.00 119.28 1xjs n LEU 110 Ca 0.60 -1.17 -0.16 0.00 -0.03 0.00 0.00 56.01 55.25 1xjs n LEU 110 Cb 0.33 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.36 1xjs n LEU 110 CO 0.87 0.29 0.22 1.23 -1.33 0.00 0.00 177.39 178.68 1xjs h GLY 111 N 0.00 0.74 1.30 -0.72 0.00 -1.99 0.20 103.07 102.59 1xjs h GLY 111 Ca 0.00 -1.13 -0.13 0.00 0.00 0.00 0.00 47.33 46.07 1xjs h GLY 111 CO 0.00 1.00 -0.29 -1.80 0.00 0.00 0.00 176.54 175.45 1xjs h ASP 112 N 0.43 0.82 1.92 0.19 3.58 -1.95 -3.04 116.42 118.38 1xjs h ASP 112 Ca -0.07 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.05 1xjs h ASP 112 Cb 1.48 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.31 1xjs h ASP 112 CO 0.17 1.05 -0.06 0.40 -2.88 0.00 0.00 179.24 177.92 1xjs h ILE 113 N 0.67 0.00 -0.04 2.25 2.04 -1.79 -3.18 117.51 117.46 1xjs h ILE 113 Ca 0.08 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 1xjs h ILE 113 Cb 0.82 1.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1xjs h ILE 113 CO 0.07 0.00 -0.09 -0.08 0.00 0.00 0.00 178.15 178.05 1xjs h GLU 114 N 0.00 0.05 0.00 2.37 4.81 -0.47 0.28 114.58 121.62 1xjs h GLU 114 Ca 0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1xjs h GLU 114 Cb 0.99 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.36 1xjs h GLU 114 CO 0.00 0.14 -0.10 0.00 -0.73 0.00 0.00 179.01 178.32 1xjs h ALA 115 N 1.86 1.00 0.11 2.92 0.00 -1.65 -2.75 119.26 120.75 1xjs h ALA 115 Ca 0.01 -0.09 -0.36 0.00 0.00 0.00 0.00 54.91 54.47 1xjs h ALA 115 Cb 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1xjs h ALA 115 CO 0.01 0.13 -1.96 1.28 0.00 0.00 0.00 179.25 178.72 1xjs n LEU 116 N -3.21 2.40 0.22 0.00 4.77 0.42 -3.88 117.00 117.72 1xjs n LEU 116 Ca 0.01 0.24 0.11 0.00 -0.03 0.00 0.00 56.01 56.34 1xjs n LEU 116 Cb 0.40 -0.95 0.67 0.00 -2.33 0.00 0.00 43.42 41.21 1xjs n LEU 116 CO 0.31 0.79 1.10 -0.61 -1.33 0.00 0.00 177.39 177.65 1xjs h GLN 117 N 0.06 0.00 0.16 3.23 -0.00 -0.55 -2.38 115.11 115.63 1xjs h GLN 117 Ca -0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.24 1xjs h GLN 117 Cb 2.03 0.00 0.00 0.00 0.00 0.00 0.00 27.48 29.52 1xjs h GLN 117 CO 0.09 0.00 -0.08 0.78 0.00 0.00 0.00 178.83 179.62 1xjs h GLY 118 N 0.00 -0.22 2.00 2.39 0.00 -1.60 -3.29 103.07 102.35 1xjs h GLY 118 Ca 0.04 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1xjs h GLY 118 CO -0.00 -0.08 0.00 -0.24 0.00 0.00 0.00 176.54 176.22 1xjs h VAL 119 N -0.68 0.00 0.00 4.60 3.04 -1.63 -3.24 116.25 118.33 1xjs h VAL 119 Ca -0.02 -0.63 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 1xjs h VAL 119 Cb 0.50 1.62 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 1xjs h VAL 119 CO 0.04 0.00 0.16 0.77 -1.01 0.00 0.00 177.57 177.53 1xjs h SER 120 N 0.00 0.00 -0.46 3.17 4.64 -1.50 -2.68 113.55 116.72 1xjs h SER 120 Ca 0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 1xjs h SER 120 Cb 0.65 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.51 1xjs h SER 120 CO 0.00 0.00 -0.44 1.17 -0.87 0.00 0.00 176.83 176.69 1xjs n LYS 121 N -2.23 2.56 -4.47 4.77 4.81 -1.23 -4.79 118.16 117.58 1xjs n LYS 121 Ca -0.01 -3.64 -0.24 0.00 -0.87 0.00 0.00 58.31 53.55 1xjs n LYS 121 Cb 0.19 -1.99 -0.08 0.00 0.02 0.00 0.00 35.03 33.17 1xjs n LYS 121 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1xjs s PHE 122 N -3.44 1.77 -1.72 5.64 0.08 -1.02 -4.99 117.98 114.31 1xjs s PHE 122 Ca 0.47 -1.32 0.22 0.00 0.12 0.00 0.00 56.93 56.42 1xjs s PHE 122 Cb 0.41 -1.08 1.20 0.00 -0.57 0.00 0.00 43.02 42.97 1xjs s PHE 122 CO -0.01 -0.37 1.69 -0.35 -0.10 0.00 0.00 175.22 176.08 1xjs n PRO 123 N -0.83 0.50 0.01 0.24 -0.04 -1.26 -3.47 135.00 130.14 1xjs n PRO 123 Ca -0.04 0.04 0.11 0.00 -0.04 0.00 0.00 63.50 63.58 1xjs n PRO 123 Cb 0.65 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.47 1xjs n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xjs n ALA 124 N -1.14 2.98 0.32 0.55 0.00 -1.26 -4.51 120.51 117.45 1xjs n ALA 124 Ca 0.13 -0.49 -0.18 0.00 0.00 0.00 0.00 53.44 52.90 1xjs n ALA 124 Cb 0.12 -0.81 -0.10 0.00 0.00 0.00 0.00 19.45 18.67 1xjs n ALA 124 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1xjs h ARG 125 N 0.00 -1.00 -1.18 0.00 -0.00 -1.57 -0.43 114.38 110.21 1xjs h ARG 125 Ca 0.00 0.07 0.33 0.00 -0.00 0.00 0.00 59.98 60.38 1xjs h ARG 125 Cb 0.94 0.23 -0.07 0.00 -0.00 0.00 0.00 29.97 31.07 1xjs h ARG 125 CO 0.00 -0.66 0.82 0.97 -0.00 0.00 0.00 179.97 181.09 1xjs h ILE 126 N -1.03 0.41 0.00 0.08 2.10 -1.82 1.18 117.51 118.42 1xjs h ILE 126 Ca -0.07 -0.04 -0.01 0.00 1.08 0.00 0.00 64.86 65.82 1xjs h ILE 126 Cb 0.88 0.27 -0.00 0.00 -1.09 0.00 0.00 36.82 36.88 1xjs h ILE 126 CO -0.02 0.02 -0.12 0.11 -1.08 0.00 0.00 178.15 177.06 1xjs h LYS 127 N 0.13 0.00 0.00 2.19 1.57 -1.70 -3.03 116.57 115.73 1xjs h LYS 127 Ca 0.60 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.35 1xjs h LYS 127 Cb 2.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.41 1xjs h LYS 127 CO -0.13 0.15 -0.79 0.00 -0.57 0.00 0.00 179.45 178.12 1xjs h ALA 129 N 1.86 0.50 -0.47 0.00 0.00 0.12 -2.29 119.26 118.97 1xjs h ALA 129 Ca -0.03 -1.23 -0.04 0.00 0.00 0.00 0.00 54.91 53.62 1xjs h ALA 129 Cb 1.13 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1xjs h ALA 129 CO 0.01 1.35 0.14 0.00 0.00 0.00 0.00 179.25 180.75 1xjs h THR 130 N 0.03 1.19 0.22 0.00 1.03 -1.52 0.33 112.91 114.19 1xjs h THR 130 Ca -0.22 -0.67 -0.01 0.00 -0.01 0.00 0.00 66.41 65.50 1xjs h THR 130 Cb 1.96 0.70 0.00 0.00 -1.07 0.00 0.00 68.15 69.74 1xjs h THR 130 CO 0.12 0.25 -0.10 0.25 -0.01 0.00 0.00 175.52 176.02 1xjs h LEU 131 N 0.67 -0.25 0.34 0.00 6.46 -1.58 -2.79 115.31 118.16 1xjs h LEU 131 Ca 0.16 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.91 1xjs h LEU 131 Cb 0.22 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.21 1xjs h LEU 131 CO -0.01 -0.17 -0.16 0.28 -0.62 0.00 0.00 178.44 177.76 1xjs h SER 132 N -0.31 -0.39 -0.03 1.25 0.02 -1.32 -2.98 113.55 109.80 1xjs h SER 132 Ca -0.03 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 1xjs h SER 132 Cb 0.22 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1xjs h SER 132 CO 0.05 -0.06 -0.08 -0.25 -1.14 0.00 0.00 176.83 175.35 1xjs h TRP 133 N -0.74 0.14 0.00 3.45 7.01 -0.52 -2.89 115.95 122.40 1xjs h TRP 133 Ca -0.05 -0.05 -0.05 0.00 2.11 0.00 0.00 58.89 60.85 1xjs h TRP 133 Cb 0.50 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 1xjs h TRP 133 CO 0.01 0.68 -0.24 -0.22 -2.79 0.00 0.00 178.44 175.88 1xjs h LYS 134 N -0.44 0.00 0.10 2.65 1.63 -1.43 -0.56 116.57 118.53 1xjs h LYS 134 Ca -0.00 0.00 -0.27 0.00 -0.85 0.00 0.00 60.65 59.53 1xjs h LYS 134 Cb 0.68 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.32 1xjs h LYS 134 CO 0.02 0.24 -1.17 0.00 -3.45 0.00 0.00 179.45 175.09 1xjs h ALA 135 N 1.76 0.14 0.07 5.00 0.00 -1.55 -2.85 119.26 121.83 1xjs h ALA 135 Ca -0.00 -0.81 -0.10 0.00 0.00 0.00 0.00 54.91 53.99 1xjs h ALA 135 Cb 0.63 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1xjs h ALA 135 CO 0.03 0.86 -0.47 1.25 0.00 0.00 0.00 179.25 180.91 1xjs h LEU 136 N 0.16 0.24 -0.66 0.00 5.85 -1.21 -2.66 115.31 117.02 1xjs h LEU 136 Ca -0.14 -0.96 0.00 0.00 0.84 0.00 0.00 57.88 57.62 1xjs h LEU 136 Cb 1.86 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.81 1xjs h LEU 136 CO 0.20 1.22 0.00 -0.33 -0.34 0.00 0.00 178.44 179.20 1xjs h GLU 137 N -0.68 0.00 0.00 1.25 4.39 -1.27 -2.29 114.58 115.98 1xjs h GLU 137 Ca -0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1xjs h GLU 137 Cb 1.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 1xjs h GLU 137 CO 0.07 0.00 -0.74 -0.22 -1.16 0.00 0.00 179.01 176.96 1xjs h LYS 138 N 0.00 0.00 0.32 2.33 1.63 -1.59 0.14 116.57 119.40 1xjs h LYS 138 Ca 0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1xjs h LYS 138 Cb 0.76 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.40 1xjs h LYS 138 CO 0.00 0.00 -0.15 0.78 -3.45 0.00 0.00 179.45 176.63 1xjs h GLY 139 N 4.11 -0.45 -0.72 5.01 0.00 -1.03 -3.19 103.07 106.80 1xjs h GLY 139 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1xjs h GLY 139 CO 0.00 -0.16 -0.08 3.33 0.00 0.00 0.00 176.54 179.63 1xjs n VAL 140 N -5.17 0.00 -2.11 4.60 0.24 -1.21 -4.93 118.33 109.75 1xjs n VAL 140 Ca -0.10 -0.29 -0.01 0.00 -2.04 0.00 0.00 64.34 61.90 1xjs n VAL 140 Cb 0.26 0.76 -0.01 0.00 -1.47 0.00 0.00 33.84 33.38 1xjs n VAL 140 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xjs n ALA 141 N 0.29 -3.32 -1.55 2.33 0.00 -1.12 -4.74 120.51 112.40 1xjs n ALA 141 Ca 0.16 0.71 -0.41 0.00 0.00 0.00 0.00 53.44 53.90 1xjs n ALA 141 Cb 0.42 -1.39 0.01 0.00 0.00 0.00 0.00 19.45 18.49 1xjs n ALA 141 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1xjs n LYS 142 N 0.60 1.03 0.00 0.00 0.00 0.48 -3.74 118.16 116.53 1xjs n LYS 142 Ca -0.10 0.37 0.00 0.00 -0.00 0.00 0.00 58.31 58.59 1xjs n LYS 142 Cb 0.15 -1.86 0.00 0.00 -0.00 0.00 0.00 35.03 33.33 1xjs n LYS 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1xjs n GLU 143 N 0.22 0.00 -2.95 -1.58 2.13 -1.23 -4.02 120.64 113.20 1xjs n GLU 143 Ca 0.11 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.97 1xjs n GLU 143 Cb 0.40 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.11 1xjs n GLU 143 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1xjs s GLU 144 N 0.00 0.07 0.46 5.31 2.12 -1.25 -4.39 118.70 121.03 1xjs s GLU 144 Ca 0.00 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.35 1xjs s GLU 144 Cb 0.00 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.41 1xjs s GLU 144 CO 0.00 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.02 1xjs n GLY 145 N 4.40 -2.26 0.00 -1.50 0.00 -1.25 -5.03 105.19 99.56 1xjs n GLY 145 Ca 0.08 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1xjs n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xjs n GLY 146 N -0.45 0.56 0.00 -0.02 0.00 -1.26 -4.30 105.19 99.73 1xjs n GLY 146 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1xjs n GLY 146 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02