#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjs s SER 2 N 0.00 6.39 -0.19 7.83 0.01 -1.26 -4.99 113.70 121.49 1xjs s SER 2 Ca 0.00 0.78 -0.15 0.00 1.31 0.00 0.00 55.95 57.89 1xjs s SER 2 Cb 0.00 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 1xjs s SER 2 CO 0.00 -1.40 0.37 0.72 0.41 0.00 0.00 173.24 173.34 1xjs s PHE 3 N 5.26 3.39 -0.22 2.43 -0.71 -1.26 -5.05 117.98 121.82 1xjs s PHE 3 Ca 0.59 0.61 -0.06 0.00 -1.04 0.00 0.00 56.93 57.03 1xjs s PHE 3 Cb -0.13 -2.48 0.11 0.00 -1.21 0.00 0.00 43.02 39.31 1xjs s PHE 3 CO 0.32 0.05 0.43 1.21 -1.34 0.00 0.00 175.22 175.89 1xjs s ASN 4 N 0.92 -0.22 -0.00 1.98 2.47 -1.26 -4.97 114.94 113.86 1xjs s ASN 4 Ca 0.18 0.82 0.00 0.00 0.42 0.00 0.00 52.86 54.29 1xjs s ASN 4 Cb -0.14 1.37 0.00 0.00 -1.45 0.00 0.00 41.25 41.02 1xjs s ASN 4 CO 0.07 -0.25 0.69 0.00 -3.72 0.00 0.00 177.10 173.89 1xjs n ALA 5 N 5.39 1.38 -0.02 1.71 0.00 -1.26 -4.86 120.51 122.85 1xjs n ALA 5 Ca -0.07 -0.70 -0.02 0.00 0.00 0.00 0.00 53.44 52.65 1xjs n ALA 5 Cb 0.50 -0.18 -0.04 0.00 0.00 0.00 0.00 19.45 19.73 1xjs n ALA 5 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xjs n ASN 6 N -0.02 3.88 0.05 0.00 5.03 -1.26 -4.77 115.26 118.17 1xjs n ASN 6 Ca 0.00 0.00 -0.20 0.00 0.87 0.00 0.00 54.58 55.26 1xjs n ASN 6 Cb 0.57 0.66 -0.14 0.00 -1.02 0.00 0.00 39.78 39.85 1xjs n ASN 6 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1xjs h LEU 7 N 0.00 0.46 -0.62 3.41 3.38 -1.92 -3.22 115.31 116.81 1xjs h LEU 7 Ca -0.11 -0.73 0.12 0.00 0.09 0.00 0.00 57.88 57.25 1xjs h LEU 7 Cb 1.19 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 1xjs h LEU 7 CO 0.01 1.62 0.11 0.44 0.09 0.00 0.00 178.44 180.71 1xjs h ASP 8 N 0.08 -0.06 1.27 -0.43 5.19 -1.90 0.19 116.42 120.77 1xjs h ASP 8 Ca -0.32 0.12 -0.09 0.00 -0.62 0.00 0.00 57.03 56.13 1xjs h ASP 8 Cb 2.05 0.18 -0.01 0.00 0.18 0.00 0.00 39.33 41.73 1xjs h ASP 8 CO 0.15 -0.02 -0.42 0.71 -3.12 0.00 0.00 179.24 176.54 1xjs h THR 9 N 0.23 0.79 0.07 0.35 1.35 -1.88 -2.94 112.91 110.89 1xjs h THR 9 Ca 0.33 -1.85 -0.00 0.00 -0.55 0.00 0.00 66.41 64.33 1xjs h THR 9 Cb 0.51 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 1xjs h THR 9 CO -0.44 0.41 -0.04 0.25 -0.25 0.00 0.00 175.52 175.45 1xjs h LEU 10 N 0.00 -0.08 -0.48 3.87 7.12 -0.81 -2.97 115.31 121.96 1xjs h LEU 10 Ca -0.00 -0.12 -0.03 0.00 0.13 0.00 0.00 57.88 57.86 1xjs h LEU 10 Cb 1.16 0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 41.31 1xjs h LEU 10 CO 0.05 0.46 -0.15 0.10 -0.13 0.00 0.00 178.44 178.77 1xjs h TYR 11 N -1.02 0.00 -0.25 1.25 -0.00 -0.90 0.44 116.97 116.50 1xjs h TYR 11 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 58.73 58.59 1xjs h TYR 11 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.92 1xjs h TYR 11 CO 0.03 0.15 -0.38 -0.09 -0.00 0.00 0.00 178.16 177.87 1xjs h ARG 12 N 0.00 0.56 -0.39 0.10 2.43 -1.66 0.56 114.38 115.98 1xjs h ARG 12 Ca -0.00 -0.27 -0.13 0.00 -0.81 0.00 0.00 59.98 58.76 1xjs h ARG 12 Cb 0.94 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 1xjs h ARG 12 CO 0.02 0.85 -0.28 0.37 -1.51 0.00 0.00 179.97 179.42 1xjs h GLN 13 N 0.47 0.87 -0.06 0.20 4.15 -1.17 -2.32 115.11 117.24 1xjs h GLN 13 Ca 0.05 -0.42 -0.02 0.00 0.77 0.00 0.00 58.65 59.02 1xjs h GLN 13 Cb 0.87 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.55 1xjs h GLN 13 CO 0.07 1.07 -0.04 0.28 -1.93 0.00 0.00 178.83 178.28 1xjs h VAL 14 N 0.68 1.35 0.00 2.39 2.07 -0.64 -3.02 116.25 119.08 1xjs h VAL 14 Ca 0.07 -1.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.41 1xjs h VAL 14 Cb 0.86 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1xjs h VAL 14 CO 0.08 0.31 -0.29 -0.29 0.02 0.00 0.00 177.57 177.39 1xjs h ILE 15 N -0.27 1.14 -0.09 4.57 2.10 0.04 0.06 117.51 125.06 1xjs h ILE 15 Ca 0.01 -1.02 -0.00 0.00 1.08 0.00 0.00 64.86 64.93 1xjs h ILE 15 Cb 0.52 1.56 -0.00 0.00 -1.09 0.00 0.00 36.82 37.80 1xjs h ILE 15 CO 0.01 0.29 0.05 -0.03 -1.08 0.00 0.00 178.15 177.38 1xjs h MET 16 N 0.00 0.12 -0.07 2.19 4.05 -1.38 0.23 114.93 120.08 1xjs h MET 16 Ca -0.00 -0.02 -0.18 0.00 -0.28 0.00 0.00 59.70 59.22 1xjs h MET 16 Cb 0.54 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.31 1xjs h MET 16 CO 0.04 0.18 -0.73 0.22 0.23 0.00 0.00 176.91 176.84 1xjs h ASP 17 N 0.03 0.46 1.38 1.39 3.58 -1.34 -2.45 116.42 119.47 1xjs h ASP 17 Ca 0.03 -0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.18 1xjs h ASP 17 Cb 0.09 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1xjs h ASP 17 CO -0.00 1.04 0.00 -0.74 -2.88 0.00 0.00 179.24 176.66 1xjs h HIS 18 N 0.26 0.00 0.02 0.28 2.76 -0.86 0.21 115.15 117.82 1xjs h HIS 18 Ca -0.03 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.93 1xjs h HIS 18 Cb 1.31 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.26 1xjs h HIS 18 CO 0.04 0.00 -0.95 -0.92 -1.30 0.00 0.00 177.93 174.80 1xjs h TYR 19 N 0.00 0.29 -0.02 5.26 3.20 -0.30 -2.62 116.97 122.78 1xjs h TYR 19 Ca 0.00 -0.18 -0.17 0.00 3.14 0.00 0.00 58.73 61.53 1xjs h TYR 19 Cb 0.69 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 1xjs h TYR 19 CO 0.00 1.03 -0.75 -0.22 -1.64 0.00 0.00 178.16 176.58 1xjs h LYS 20 N 0.09 0.13 -2.85 1.82 3.64 -0.91 -3.39 116.57 115.10 1xjs h LYS 20 Ca -0.05 -0.12 -0.61 0.00 -1.27 0.00 0.00 60.65 58.60 1xjs h LYS 20 Cb 1.62 0.03 -0.40 0.00 -0.41 0.00 0.00 32.23 33.07 1xjs h LYS 20 CO 0.15 0.82 -0.76 -0.80 -2.27 0.00 0.00 179.45 176.59 1xjs s ASN 21 N -6.87 3.39 0.05 4.20 0.02 0.68 -5.10 114.94 111.31 1xjs s ASN 21 Ca -0.02 -3.08 -0.17 0.00 -1.02 0.00 0.00 52.86 48.56 1xjs s ASN 21 Cb 0.11 -1.04 -0.06 0.00 0.02 0.00 0.00 41.25 40.28 1xjs s ASN 21 CO 0.80 -0.19 0.51 -2.16 0.02 0.00 0.00 177.10 176.08 1xjs s PRO 22 N -0.22 4.09 0.00 -0.60 0.04 -1.00 -4.51 135.00 132.80 1xjs s PRO 22 Ca 0.24 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1xjs s PRO 22 Cb -0.11 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1xjs s PRO 22 CO -0.10 0.65 0.72 -2.13 0.04 0.00 0.00 177.00 176.18 1xjs n ARG 23 N 1.69 0.00 -2.73 4.56 0.63 -1.26 -5.00 116.66 114.55 1xjs n ARG 23 Ca -0.11 -0.63 -0.43 0.00 -0.92 0.00 0.00 57.85 55.76 1xjs n ARG 23 Cb 0.51 -0.36 -0.01 0.00 0.45 0.00 0.00 32.46 33.05 1xjs n ARG 23 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1xjs s ASN 24 N -0.52 6.80 0.00 6.15 -0.87 -1.26 -4.35 114.94 120.88 1xjs s ASN 24 Ca 0.00 -2.32 0.00 0.00 -1.57 0.00 0.00 52.86 48.97 1xjs s ASN 24 Cb 0.00 -2.50 0.00 0.00 -0.02 0.00 0.00 41.25 38.73 1xjs s ASN 24 CO 0.00 -1.11 0.53 1.17 -2.57 0.00 0.00 177.10 175.12 1xjs n LYS 25 N 7.48 0.00 -3.80 -0.60 3.00 -1.25 -4.61 118.16 118.38 1xjs n LYS 25 Ca 0.38 -0.35 -0.13 0.00 -0.00 0.00 0.00 58.31 58.22 1xjs n LYS 25 Cb 0.47 0.24 -0.13 0.00 0.00 0.00 0.00 35.03 35.60 1xjs n LYS 25 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1xjs s GLY 26 N -0.35 -0.07 -0.30 3.14 0.00 -1.26 -4.93 107.32 103.55 1xjs s GLY 26 Ca 0.00 0.48 0.03 0.00 0.00 0.00 0.00 44.72 45.22 1xjs s GLY 26 CO 0.00 0.57 -0.00 0.14 0.00 0.00 0.00 173.10 173.81 1xjs s VAL 27 N 0.50 1.97 -0.59 1.40 1.01 -1.26 -2.05 120.40 121.38 1xjs s VAL 27 Ca -0.04 -1.87 -0.10 0.00 0.00 0.00 0.00 61.98 59.98 1xjs s VAL 27 Cb -0.05 -2.32 0.15 0.00 0.00 0.00 0.00 36.38 34.16 1xjs s VAL 27 CO -0.02 -0.37 0.47 -0.22 0.00 0.00 0.00 175.10 174.96 1xjs s LEU 28 N 1.11 5.90 -0.94 3.92 2.96 -1.26 -5.01 118.68 125.36 1xjs s LEU 28 Ca 0.03 -2.26 -0.22 0.00 -0.22 0.00 0.00 54.13 51.46 1xjs s LEU 28 Cb -0.19 -2.05 0.08 0.00 0.50 0.00 0.00 46.19 44.54 1xjs s LEU 28 CO -0.09 -0.62 1.28 0.21 -1.32 0.00 0.00 176.35 175.82 1xjs s ASN 29 N 2.27 6.51 0.01 3.68 3.84 -1.26 -4.20 114.94 125.78 1xjs s ASN 29 Ca 0.10 -1.59 0.00 0.00 0.21 0.00 0.00 52.86 51.59 1xjs s ASN 29 Cb -0.22 -2.49 0.00 0.00 -0.55 0.00 0.00 41.25 37.99 1xjs s ASN 29 CO -0.03 -1.35 0.00 -0.67 -2.79 0.00 0.00 177.10 172.26 1xjs n ASP 30 N 7.94 0.02 0.01 -4.21 2.03 -1.26 -5.05 116.55 116.03 1xjs n ASP 30 Ca 0.25 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.57 1xjs n ASP 30 Cb 0.50 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 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 -2.53 0.07 -4.55 1.67 3.41 -1.21 -5.05 113.62 105.44 1xjs n SER 31 Ca 0.00 0.03 -0.34 0.00 -0.26 0.00 0.00 58.87 58.30 1xjs n SER 31 Cb 0.00 -0.01 -0.11 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 -2.00 4.26 -0.40 -1.33 1.01 -1.04 -4.99 121.20 116.71 1xjs s ILE 32 Ca 0.00 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.46 1xjs s ILE 32 Cb 0.00 -2.90 0.16 0.00 0.01 0.00 0.00 42.46 39.74 1xjs s ILE 32 CO 0.00 0.47 0.35 0.68 0.00 0.00 0.00 174.94 176.44 1xjs s VAL 33 N 0.42 0.14 -0.15 2.92 -7.23 -1.25 -0.81 120.40 114.44 1xjs s VAL 33 Ca -0.01 -2.21 -0.10 0.00 -1.81 0.00 0.00 61.98 57.86 1xjs s VAL 33 Cb -0.13 -1.08 -0.05 0.00 0.56 0.00 0.00 36.38 35.68 1xjs s VAL 33 CO 0.02 -1.04 0.18 -0.69 -0.31 0.00 0.00 175.10 173.26 1xjs s VAL 34 N 0.43 5.40 0.06 1.32 1.01 0.23 -4.95 120.40 123.90 1xjs s VAL 34 Ca 0.29 0.31 0.06 0.00 0.00 0.00 0.00 61.98 62.64 1xjs s VAL 34 Cb -0.03 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1xjs s VAL 34 CO -0.13 0.51 -0.16 1.51 0.00 0.00 0.00 175.10 176.82 1xjs s ASP 35 N -0.28 1.96 -0.01 3.32 -4.77 -1.26 0.40 116.67 116.03 1xjs s ASP 35 Ca 0.13 -0.53 -0.20 0.00 -3.30 0.00 0.00 52.55 48.65 1xjs s ASP 35 Cb -0.12 -0.12 0.04 0.00 -1.09 0.00 0.00 42.92 41.63 1xjs s ASP 35 CO 0.03 0.04 0.43 -0.32 0.70 0.00 0.00 175.17 176.05 1xjs s MET 36 N -1.38 0.83 -0.09 2.11 1.75 -1.03 -4.99 119.30 116.51 1xjs s MET 36 Ca 0.03 -0.12 -0.17 0.00 -1.25 0.00 0.00 55.69 54.18 1xjs s MET 36 Cb -0.09 0.38 0.04 0.00 2.84 0.00 0.00 34.83 38.00 1xjs s MET 36 CO 0.02 -0.25 0.41 0.54 -0.65 0.00 0.00 175.02 175.09 1xjs s ASN 37 N -1.47 -0.37 -0.22 1.11 4.22 -1.26 -0.91 114.94 116.04 1xjs s ASN 37 Ca -0.11 0.53 0.01 0.00 -2.14 0.00 0.00 52.86 51.16 1xjs s ASN 37 Cb -0.03 0.61 0.05 0.00 1.28 0.00 0.00 41.25 43.16 1xjs s ASN 37 CO 0.04 -0.33 -0.08 0.21 -2.04 0.00 0.00 177.10 174.90 1xjs s ASN 38 N -0.58 3.77 0.01 3.54 3.84 0.18 -4.93 114.94 120.76 1xjs s ASN 38 Ca -0.07 -1.10 -0.01 0.00 0.21 0.00 0.00 52.86 51.89 1xjs s ASN 38 Cb -0.04 -1.26 -0.00 0.00 -0.55 0.00 0.00 41.25 39.40 1xjs s ASN 38 CO 0.03 -0.19 0.10 -2.65 -2.79 0.00 0.00 177.10 171.60 1xjs n PRO 39 N 4.64 -0.02 -0.46 0.43 -0.02 -1.26 -0.04 135.00 138.27 1xjs n PRO 39 Ca -0.13 0.10 0.06 0.00 -2.02 0.00 0.00 63.50 61.51 1xjs n PRO 39 Cb 0.45 -0.15 0.11 0.00 -0.02 0.00 0.00 33.50 33.89 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 -3.10 1.34 0.00 3.45 -1.04 -1.26 -4.52 114.28 109.15 1xjs n THR 40 Ca 0.00 -1.88 0.00 0.00 -2.04 0.00 0.00 64.05 60.13 1xjs n THR 40 Cb 0.01 0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 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 2.30 3.32 0.28 0.00 0.00 0.94 -2.47 105.19 109.57 1xjs n GLY 42 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1xjs n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xjs n ASP 43 N 0.53 -0.44 -3.66 1.61 9.92 -1.03 0.47 116.55 123.95 1xjs n ASP 43 Ca 0.23 1.29 -0.14 0.00 -0.53 0.00 0.00 54.79 55.64 1xjs n ASP 43 Cb 0.63 -0.31 -0.08 0.00 -0.64 0.00 0.00 41.12 40.72 1xjs n ASP 43 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xjs s ARG 44 N -5.75 0.74 -0.23 -1.24 1.70 -0.76 -4.32 118.95 109.10 1xjs s ARG 44 Ca -0.10 0.71 -0.04 0.00 -0.47 0.00 0.00 55.73 55.82 1xjs s ARG 44 Cb 0.16 0.36 0.09 0.00 -0.57 0.00 0.00 34.95 34.99 1xjs s ARG 44 CO 0.54 -0.12 0.14 -1.50 -1.08 0.00 0.00 175.30 173.28 1xjs s ILE 45 N 0.05 -0.15 -0.42 4.99 2.07 -0.09 -0.45 121.20 127.20 1xjs s ILE 45 Ca -0.02 -0.39 -0.19 0.00 -1.41 0.00 0.00 60.65 58.64 1xjs s ILE 45 Cb -0.04 -0.76 0.02 0.00 0.13 0.00 0.00 42.46 41.81 1xjs s ILE 45 CO 0.02 -0.44 0.57 -0.13 -1.91 0.00 0.00 174.94 173.05 1xjs s ARG 46 N 2.17 3.29 -0.63 3.50 1.81 0.10 -2.45 118.95 126.75 1xjs s ARG 46 Ca 0.06 -0.43 -0.11 0.00 -1.72 0.00 0.00 55.73 53.53 1xjs s ARG 46 Cb -0.16 -3.93 0.16 0.00 -0.45 0.00 0.00 34.95 30.57 1xjs s ARG 46 CO -0.21 -0.91 0.53 -1.17 -0.68 0.00 0.00 175.30 172.86 1xjs s LEU 47 N 2.58 6.04 -0.28 2.53 2.96 0.16 -2.07 118.68 130.60 1xjs s LEU 47 Ca 0.19 -2.33 -0.01 0.00 -0.22 0.00 0.00 54.13 51.76 1xjs s LEU 47 Cb -0.15 -2.08 0.05 0.00 0.50 0.00 0.00 46.19 44.51 1xjs s LEU 47 CO 0.17 -0.62 -0.03 0.42 -1.32 0.00 0.00 176.35 174.96 1xjs s THR 48 N 0.74 2.83 0.28 3.68 -4.23 -0.13 -0.60 115.64 118.21 1xjs s THR 48 Ca 0.11 -1.34 0.08 0.00 -1.18 0.00 0.00 61.69 59.37 1xjs s THR 48 Cb -0.20 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 1xjs s THR 48 CO -0.03 -0.02 0.13 -0.04 -0.54 0.00 0.00 174.62 174.11 1xjs s MET 49 N 1.25 2.59 -0.32 3.99 -1.94 0.01 0.62 119.30 125.49 1xjs s MET 49 Ca -0.05 -1.29 0.02 0.00 -1.71 0.00 0.00 55.69 52.66 1xjs s MET 49 Cb -0.19 -2.35 0.10 0.00 2.01 0.00 0.00 34.83 34.40 1xjs s MET 49 CO -0.02 0.31 0.07 0.21 -0.01 0.00 0.00 175.02 175.57 1xjs s LYS 50 N -3.80 1.11 -0.43 2.03 2.36 0.15 -2.48 119.74 118.68 1xjs s LYS 50 Ca 0.34 -1.45 -0.15 0.00 -2.55 0.00 0.00 55.97 52.16 1xjs s LYS 50 Cb -0.06 -2.59 0.04 0.00 -1.05 0.00 0.00 37.83 34.17 1xjs s LYS 50 CO 0.23 -0.95 0.33 -0.48 1.55 0.00 0.00 175.35 176.03 1xjs s LEU 51 N 1.27 5.28 -1.06 5.43 0.05 -1.26 -2.21 118.68 126.19 1xjs s LEU 51 Ca 0.10 -1.07 -0.03 0.00 0.05 0.00 0.00 54.13 53.18 1xjs s LEU 51 Cb -0.18 -2.16 0.31 0.00 -2.05 0.00 0.00 46.19 42.11 1xjs s LEU 51 CO -0.16 -0.52 1.63 -0.67 -0.55 0.00 0.00 176.35 176.08 1xjs n ASP 52 N 5.16 6.83 0.00 1.48 2.03 -1.26 -4.80 116.55 126.00 1xjs n ASP 52 Ca -0.12 -3.53 0.00 0.00 0.52 0.00 0.00 54.79 51.66 1xjs n ASP 52 Cb 0.46 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 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 0.72 0.61 1.32 0.27 0.00 -1.26 -4.79 105.19 102.06 1xjs n GLY 53 Ca 0.35 -0.24 0.02 0.00 0.00 0.00 0.00 46.02 46.16 1xjs n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xjs n ASP 54 N 0.00 0.65 -4.15 1.61 8.00 -1.26 -5.06 116.55 116.33 1xjs n ASP 54 Ca 0.00 -1.98 -0.16 0.00 0.71 0.00 0.00 54.79 53.36 1xjs n ASP 54 Cb 0.00 -0.22 -0.11 0.00 -0.02 0.00 0.00 41.12 40.77 1xjs n ASP 54 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1xjs s ILE 55 N 0.00 0.94 -0.78 0.53 -5.25 -1.26 -0.54 121.20 114.84 1xjs s ILE 55 Ca 0.26 -1.37 -0.22 0.00 -0.99 0.00 0.00 60.65 58.33 1xjs s ILE 55 Cb 0.30 -1.07 0.08 0.00 2.95 0.00 0.00 42.46 44.72 1xjs s ILE 55 CO -0.13 -0.36 1.10 -0.69 -1.79 0.00 0.00 174.94 173.06 1xjs s VAL 56 N -1.67 4.31 -0.00 8.37 1.01 -0.95 -4.09 120.40 127.38 1xjs s VAL 56 Ca -0.01 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 1xjs s VAL 56 Cb -0.08 -4.78 -0.00 0.00 0.00 0.00 0.00 36.38 31.52 1xjs s VAL 56 CO 0.01 -1.57 -0.00 1.21 0.00 0.00 0.00 175.10 174.75 1xjs n GLU 57 N 7.75 0.00 -4.27 2.72 0.00 -1.01 -4.59 120.64 121.24 1xjs n GLU 57 Ca 0.08 0.21 -0.24 0.00 0.00 0.00 0.00 57.16 57.22 1xjs n GLU 57 Cb 0.47 -0.71 -0.07 0.00 0.00 0.00 0.00 31.44 31.13 1xjs n GLU 57 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1xjs s ASP 58 N -3.58 4.60 -0.25 4.31 2.15 -0.94 -4.93 116.67 118.04 1xjs s ASP 58 Ca -0.00 -0.59 -0.16 0.00 0.43 0.00 0.00 52.55 52.23 1xjs s ASP 58 Cb 0.00 -0.89 0.07 0.00 -0.30 0.00 0.00 42.92 41.80 1xjs s ASP 58 CO 0.00 0.02 0.62 0.00 -0.17 0.00 0.00 175.17 175.63 1xjs s ALA 59 N -2.20 -1.62 -0.15 3.66 0.00 -1.26 0.31 121.76 120.49 1xjs s ALA 59 Ca 0.31 2.07 0.01 0.00 0.00 0.00 0.00 51.96 54.34 1xjs s ALA 59 Cb -0.07 -1.22 0.02 0.00 0.00 0.00 0.00 23.12 21.85 1xjs s ALA 59 CO 0.20 -0.33 -0.15 0.15 0.00 0.00 0.00 175.76 175.62 1xjs s LYS 60 N 1.23 2.38 -0.77 0.00 -0.14 0.20 -4.95 119.74 117.70 1xjs s LYS 60 Ca -0.07 -0.59 0.02 0.00 -1.36 0.00 0.00 55.97 53.96 1xjs s LYS 60 Cb -0.06 -2.15 0.19 0.00 -1.68 0.00 0.00 37.83 34.13 1xjs s LYS 60 CO -0.13 -0.22 0.60 -0.59 -0.76 0.00 0.00 175.35 174.25 1xjs s PHE 61 N 1.43 3.68 -0.30 3.18 -0.12 -1.23 -0.95 117.98 123.67 1xjs s PHE 61 Ca 0.04 -3.19 -0.24 0.00 -0.05 0.00 0.00 56.93 53.49 1xjs s PHE 61 Cb -0.13 -2.95 0.00 0.00 -0.63 0.00 0.00 43.02 39.31 1xjs s PHE 61 CO -0.10 -0.64 0.81 -2.00 -0.05 0.00 0.00 175.22 173.24 1xjs s GLU 62 N -1.31 3.99 -0.17 1.99 2.56 -0.87 -3.86 118.70 121.02 1xjs s GLU 62 Ca 0.25 0.65 -0.35 0.00 0.00 0.00 0.00 54.97 55.53 1xjs s GLU 62 Cb -0.07 -3.72 0.14 0.00 2.00 0.00 0.00 34.13 32.47 1xjs s GLU 62 CO -0.14 -0.69 1.22 0.20 -0.56 0.00 0.00 175.26 175.30 1xjs s GLY 63 N 1.60 -0.30 0.17 -1.50 0.00 -1.26 0.02 107.32 106.05 1xjs s GLY 63 Ca 0.34 1.51 0.02 0.00 0.00 0.00 0.00 44.72 46.59 1xjs s GLY 63 CO 0.12 0.49 0.00 -0.54 0.00 0.00 0.00 173.10 173.18 1xjs s GLU 64 N -2.41 1.10 0.00 2.90 2.02 0.40 -4.94 118.70 117.77 1xjs s GLU 64 Ca 0.10 -1.53 0.00 0.00 0.02 0.00 0.00 54.97 53.56 1xjs s GLU 64 Cb -0.00 -0.25 0.00 0.00 0.10 0.00 0.00 34.13 33.98 1xjs s GLU 64 CO -0.04 -0.13 0.00 0.41 0.02 0.00 0.00 175.26 175.51 1xjs n GLY 65 N -0.24 0.05 3.87 -1.39 0.00 -1.26 -1.82 105.19 104.41 1xjs n GLY 65 Ca -0.06 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.08 0.33 0.73 0.00 4.64 -2.00 -2.85 113.55 114.32 1xjs h SER 67 Ca -0.45 -0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 60.71 1xjs h SER 67 Cb 1.19 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 1xjs h SER 67 CO 0.62 0.34 -1.36 2.30 -0.87 0.00 0.00 176.83 177.85 1xjs n ILE 68 N -4.40 1.04 0.06 0.95 -0.00 -1.26 -3.60 119.36 112.15 1xjs n ILE 68 Ca 0.01 -0.66 -0.21 0.00 -0.00 0.00 0.00 62.75 61.89 1xjs n ILE 68 Cb 0.15 -0.63 -0.12 0.00 -0.00 0.00 0.00 39.64 39.04 1xjs n ILE 68 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 1xjs h SER 69 N 0.00 0.90 1.04 7.28 4.64 -1.85 0.65 113.55 126.20 1xjs h SER 69 Ca -0.13 -0.77 0.00 0.00 -0.47 0.00 0.00 61.79 60.41 1xjs h SER 69 Cb 1.46 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1xjs h SER 69 CO 0.03 1.56 0.00 0.00 -0.87 0.00 0.00 176.83 177.56 1xjs h MET 70 N 0.33 0.00 0.06 4.77 -0.00 -1.69 -2.86 114.93 115.54 1xjs h MET 70 Ca -0.15 0.00 -0.22 0.00 -0.00 0.00 0.00 59.70 59.33 1xjs h MET 70 Cb 1.78 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.36 1xjs h MET 70 CO 0.22 0.00 -1.16 0.00 -0.00 0.00 0.00 176.91 175.97 1xjs h ALA 71 N 2.17 0.19 -0.62 -3.00 0.00 -1.51 -3.34 119.26 113.15 1xjs h ALA 71 Ca 0.00 -1.05 0.03 0.00 0.00 0.00 0.00 54.91 53.89 1xjs h ALA 71 Cb 0.52 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1xjs h ALA 71 CO 0.00 0.67 0.37 0.66 0.00 0.00 0.00 179.25 180.96 1xjs h SER 72 N -0.64 0.60 -0.37 0.00 4.64 0.32 -0.32 113.55 117.78 1xjs h SER 72 Ca -0.28 0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.13 1xjs h SER 72 Cb 1.49 -0.12 -0.08 0.00 -0.31 0.00 0.00 62.40 63.38 1xjs h SER 72 CO -0.04 0.41 -0.20 0.00 -0.87 0.00 0.00 176.83 176.13 1xjs h ALA 73 N 1.28 0.06 0.00 5.18 0.00 -1.69 0.48 119.26 124.57 1xjs h ALA 73 Ca 0.26 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 1xjs h ALA 73 Cb 0.05 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1xjs h ALA 73 CO -0.12 -0.58 -0.38 0.66 0.00 0.00 0.00 179.25 178.83 1xjs h SER 74 N -0.14 0.00 0.02 0.00 4.64 -1.53 -1.96 113.55 114.58 1xjs h SER 74 Ca 0.18 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.48 1xjs h SER 74 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1xjs h SER 74 CO -0.45 0.38 -0.11 -0.03 -0.87 0.00 0.00 176.83 175.75 1xjs h MET 75 N 0.00 0.05 -0.77 4.77 -1.53 0.12 -2.33 114.93 115.24 1xjs h MET 75 Ca -0.00 -0.07 -0.05 0.00 -3.44 0.00 0.00 59.70 56.13 1xjs h MET 75 Cb 0.82 0.03 -0.03 0.00 -0.55 0.00 0.00 31.60 31.87 1xjs h MET 75 CO 0.05 0.99 0.27 0.52 0.14 0.00 0.00 176.91 178.88 1xjs h MET 76 N -0.86 1.17 0.00 0.39 2.86 -0.13 -2.44 114.93 115.92 1xjs h MET 76 Ca -0.02 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 1xjs h MET 76 Cb 1.04 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 1xjs h MET 76 CO 0.02 0.97 -0.09 1.15 1.06 0.00 0.00 176.91 180.02 1xjs h THR 77 N 1.13 0.19 -0.39 2.22 2.02 -1.45 -0.88 112.91 115.75 1xjs h THR 77 Ca 0.25 -0.98 -0.13 0.00 0.77 0.00 0.00 66.41 66.33 1xjs h THR 77 Cb 0.27 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 1xjs h THR 77 CO -0.01 0.09 -0.25 -0.61 0.37 0.00 0.00 175.52 175.10 1xjs h GLN 78 N 0.00 0.86 0.00 6.66 4.15 -0.91 0.76 115.11 126.62 1xjs h GLN 78 Ca -0.00 -0.40 -0.15 0.00 0.77 0.00 0.00 58.65 58.87 1xjs h GLN 78 Cb 0.83 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.49 1xjs h GLN 78 CO 0.01 1.05 -0.71 0.00 -1.93 0.00 0.00 178.83 177.25 1xjs h ALA 79 N 0.79 0.55 -0.03 3.38 0.00 -1.44 -3.27 119.26 119.25 1xjs h ALA 79 Ca 0.08 -0.64 -0.14 0.00 0.00 0.00 0.00 54.91 54.21 1xjs h ALA 79 Cb 0.82 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1xjs h ALA 79 CO 0.07 0.87 -0.63 0.97 0.00 0.00 0.00 179.25 180.53 1xjs h ILE 80 N 0.00 1.42 0.00 0.00 -0.00 -0.87 -2.97 117.51 115.09 1xjs h ILE 80 Ca -0.01 -2.08 -0.02 0.00 -0.00 0.00 0.00 64.86 62.75 1xjs h ILE 80 Cb 1.54 2.09 -0.00 0.00 -0.00 0.00 0.00 36.82 40.44 1xjs h ILE 80 CO 0.09 0.61 -0.09 0.50 -0.00 0.00 0.00 178.15 179.25 1xjs h LYS 81 N 0.09 0.00 -0.86 2.19 3.64 -0.90 -2.67 116.57 118.07 1xjs h LYS 81 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1xjs h LYS 81 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1xjs h LYS 81 CO 0.09 0.09 0.00 0.41 -2.27 0.00 0.00 179.45 177.77 1xjs n GLY 82 N -0.80 1.87 3.19 5.01 0.00 -1.12 -4.48 105.19 108.86 1xjs n GLY 82 Ca -0.02 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 1xjs n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xjs n LYS 83 N 0.18 0.52 -2.18 1.61 4.01 -1.01 -5.08 118.16 116.21 1xjs n LYS 83 Ca 0.08 -3.29 -0.04 0.00 -0.51 0.00 0.00 58.31 54.55 1xjs n LYS 83 Cb 0.51 2.08 -0.01 0.00 -0.51 0.00 0.00 35.03 37.11 1xjs n LYS 83 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1xjs n ASP 84 N -1.61 1.85 0.13 4.39 5.75 -1.26 -2.25 116.55 123.56 1xjs n ASP 84 Ca -0.01 -1.30 -0.24 0.00 -0.01 0.00 0.00 54.79 53.22 1xjs n ASP 84 Cb 0.59 0.03 -0.16 0.00 -1.03 0.00 0.00 41.12 40.55 1xjs n ASP 84 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1xjs h ILE 85 N 0.85 1.28 -0.67 2.12 5.03 -1.16 -0.41 117.51 124.56 1xjs h ILE 85 Ca -0.06 -2.67 -0.06 0.00 -0.12 0.00 0.00 64.86 61.95 1xjs h ILE 85 Cb 0.18 3.05 -0.03 0.00 -3.03 0.00 0.00 36.82 36.99 1xjs h ILE 85 CO 0.09 0.80 0.19 -0.33 -0.68 0.00 0.00 178.15 178.23 1xjs h GLU 86 N 0.09 1.05 -0.01 2.37 4.39 -1.92 -1.24 114.58 119.31 1xjs h GLU 86 Ca -0.25 -0.24 -0.18 0.00 0.34 0.00 0.00 59.36 59.04 1xjs h GLU 86 Cb 2.12 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 30.61 1xjs h GLU 86 CO 0.26 0.92 -0.78 1.15 -1.16 0.00 0.00 179.01 179.40 1xjs h THR 87 N 0.98 1.48 -0.13 1.13 2.02 -1.94 -2.86 112.91 113.60 1xjs h THR 87 Ca 0.21 -2.46 -0.00 0.00 0.77 0.00 0.00 66.41 64.93 1xjs h THR 87 Cb 0.32 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 1xjs h THR 87 CO -0.00 0.72 0.07 0.00 0.37 0.00 0.00 175.52 176.67 1xjs h ALA 88 N 1.10 0.16 -0.99 6.16 0.00 -0.41 0.22 119.26 125.50 1xjs h ALA 88 Ca -0.03 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1xjs h ALA 88 Cb 1.37 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 1xjs h ALA 88 CO 0.11 -0.31 0.65 -0.07 0.00 0.00 0.00 179.25 179.63 1xjs h LEU 89 N 0.12 1.10 -1.41 0.00 3.38 -1.18 -1.04 115.31 116.28 1xjs h LEU 89 Ca 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xjs h LEU 89 Cb 0.05 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1xjs h LEU 89 CO -0.01 0.77 0.00 0.28 0.09 0.00 0.00 178.44 179.57 1xjs h SER 90 N 1.28 0.00 1.87 -0.43 0.02 -1.12 -0.06 113.55 115.11 1xjs h SER 90 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1xjs h SER 90 Cb -0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1xjs h SER 90 CO -0.11 0.00 0.00 0.24 -1.14 0.00 0.00 176.83 175.82 1xjs h MET 91 N 0.00 0.00 0.05 3.45 2.86 0.77 -0.00 114.93 122.05 1xjs h MET 91 Ca 0.00 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.36 1xjs h MET 91 Cb 0.52 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 1xjs h MET 91 CO 0.00 0.00 -1.48 1.03 1.06 0.00 0.00 176.91 177.52 1xjs h SER 92 N 0.00 0.16 -0.72 1.22 0.87 -1.00 -0.32 113.55 113.77 1xjs h SER 92 Ca 0.00 -0.25 0.03 0.00 -1.23 0.00 0.00 61.79 60.34 1xjs h SER 92 Cb 0.94 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.80 1xjs h SER 92 CO 0.00 1.21 0.45 0.50 -0.53 0.00 0.00 176.83 178.46 1xjs h LYS 93 N 0.03 0.85 0.00 2.24 3.64 -0.74 -1.92 116.57 120.67 1xjs h LYS 93 Ca -0.21 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.03 1xjs h LYS 93 Cb 1.95 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.57 1xjs h LYS 93 CO 0.12 0.56 -0.65 -0.84 -2.27 0.00 0.00 179.45 176.38 1xjs h ILE 94 N 0.88 0.58 -0.37 2.00 3.07 -1.08 -2.78 117.51 119.80 1xjs h ILE 94 Ca 0.29 -1.88 0.03 0.00 1.55 0.00 0.00 64.86 64.85 1xjs h ILE 94 Cb 0.02 2.20 -0.03 0.00 -0.27 0.00 0.00 36.82 38.74 1xjs h ILE 94 CO -0.11 0.33 0.18 0.15 -1.05 0.00 0.00 178.15 177.65 1xjs h PHE 95 N 0.00 0.34 0.00 0.16 3.57 -0.31 0.24 116.94 120.94 1xjs h PHE 95 Ca -0.03 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.32 1xjs h PHE 95 Cb 1.33 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 1xjs h PHE 95 CO 0.00 0.18 -0.78 0.66 -2.23 0.00 0.00 178.31 176.14 1xjs h SER 96 N 0.38 0.00 0.19 0.41 4.64 -1.49 -3.27 113.55 114.41 1xjs h SER 96 Ca 0.16 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.41 1xjs h SER 96 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1xjs h SER 96 CO -0.11 0.78 -0.27 -0.78 -0.87 0.00 0.00 176.83 175.58 1xjs h ASP 97 N 0.00 0.13 -0.10 4.97 3.58 -1.10 -2.82 116.42 121.07 1xjs h ASP 97 Ca -0.01 -0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.44 1xjs h ASP 97 Cb 1.59 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.60 1xjs h ASP 97 CO 0.10 0.40 0.31 -0.03 -2.88 0.00 0.00 179.24 177.14 1xjs h MET 98 N 0.12 0.00 0.00 0.28 4.05 -1.02 0.81 114.93 119.17 1xjs h MET 98 Ca 0.02 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.34 1xjs h MET 98 Cb 0.54 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.33 1xjs h MET 98 CO 0.04 0.00 -0.65 1.98 0.23 0.00 0.00 176.91 178.50 1xjs h MET 99 N 0.00 0.00 0.00 0.39 1.85 -1.72 -3.36 114.93 112.09 1xjs h MET 99 Ca 0.05 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.14 1xjs h MET 99 Cb 0.66 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.69 1xjs h MET 99 CO -0.00 0.40 -0.28 0.00 -0.40 0.00 0.00 176.91 176.63 1xjs n GLN 100 N -3.13 0.00 0.02 0.39 10.64 0.15 -4.88 117.38 120.57 1xjs n GLN 100 Ca -0.00 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 54.99 1xjs n GLN 100 Cb 0.73 -0.52 -0.14 0.00 -0.86 0.00 0.00 30.24 29.45 1xjs n GLN 100 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 1xjs h GLY 101 N 0.00 0.26 -0.88 2.61 0.00 0.20 -3.48 103.07 101.78 1xjs h GLY 101 Ca 0.00 -0.67 -0.18 0.00 0.00 0.00 0.00 47.33 46.48 1xjs h GLY 101 CO 0.00 0.59 -0.20 1.17 0.00 0.00 0.00 176.54 178.10 1xjs n LYS 102 N -3.41 -0.67 -4.84 4.80 3.00 0.54 -4.95 118.16 112.64 1xjs n LYS 102 Ca -0.26 0.61 -0.33 0.00 -0.00 0.00 0.00 58.31 58.33 1xjs n LYS 102 Cb 1.05 -4.55 -0.13 0.00 0.00 0.00 0.00 35.03 31.40 1xjs n LYS 102 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1xjs s GLU 103 N -3.66 2.74 0.00 1.64 2.02 -1.26 -4.92 118.70 115.26 1xjs s GLU 103 Ca 0.00 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.31 1xjs s GLU 103 Cb 0.00 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 31.77 1xjs s GLU 103 CO 0.00 0.53 0.00 0.66 0.02 0.00 0.00 175.26 176.47 1xjs n TYR 104 N 2.59 0.00 -3.53 1.61 4.01 -1.26 -4.54 117.16 116.05 1xjs n TYR 104 Ca -0.17 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.30 1xjs n TYR 104 Cb 0.52 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.46 1xjs n TYR 104 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1xjs n ASP 105 N 0.00 2.12 0.00 7.72 2.03 -1.26 -4.89 116.55 122.27 1xjs n ASP 105 Ca 0.00 -3.04 0.00 0.00 0.52 0.00 0.00 54.79 52.27 1xjs n ASP 105 Cb 0.00 -0.67 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 1xjs n ASP 105 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1xjs n ASP 106 N 1.66 0.00 0.11 1.67 2.03 -1.26 -4.77 116.55 116.00 1xjs n ASP 106 Ca 0.25 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.45 1xjs n ASP 106 Cb 0.42 -1.00 -0.07 0.00 -0.72 0.00 0.00 41.12 39.76 1xjs n ASP 106 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1xjs h SER 107 N 0.00 -0.29 0.00 1.67 4.64 -2.02 -3.46 113.55 114.09 1xjs h SER 107 Ca 0.00 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1xjs h SER 107 Cb 0.00 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1xjs h SER 107 CO 0.00 0.18 0.00 -0.38 -0.87 0.00 0.00 176.83 175.76 1xjs n ILE 108 N -5.03 0.00 -4.27 0.95 -0.00 -1.26 -4.81 119.36 104.93 1xjs n ILE 108 Ca -0.08 0.00 -0.21 0.00 -0.00 0.00 0.00 62.75 62.46 1xjs n ILE 108 Cb 0.26 0.00 -0.12 0.00 -0.00 0.00 0.00 39.64 39.78 1xjs n ILE 108 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.55 178.06 1xjs s ASP 109 N 0.00 2.29 -0.45 4.38 -4.77 -1.26 -5.07 116.67 111.79 1xjs s ASP 109 Ca 0.00 -0.76 0.06 0.00 -3.30 0.00 0.00 52.55 48.55 1xjs s ASP 109 Cb 0.00 -0.11 0.22 0.00 -1.09 0.00 0.00 42.92 41.94 1xjs s ASP 109 CO 0.00 -0.05 0.65 0.18 0.70 0.00 0.00 175.17 176.65 1xjs n LEU 110 N 0.72 -1.76 0.33 2.11 4.32 -1.26 -4.96 117.00 116.51 1xjs n LEU 110 Ca -0.17 -3.79 0.19 0.00 -0.02 0.00 0.00 56.01 52.23 1xjs n LEU 110 Cb 0.56 0.71 1.04 0.00 -1.62 0.00 0.00 43.42 44.11 1xjs n LEU 110 CO 0.25 1.98 1.15 1.23 -1.22 0.00 0.00 177.39 180.78 1xjs h GLY 111 N 4.54 0.00 0.78 -0.72 0.00 -2.00 -2.23 103.07 103.45 1xjs h GLY 111 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1xjs h GLY 111 CO 0.30 0.00 0.01 1.29 0.00 0.00 0.00 176.54 178.14 1xjs h ASP 112 N 0.00 0.15 1.14 0.19 2.03 -1.96 -2.95 116.42 115.03 1xjs h ASP 112 Ca 0.00 -0.26 0.00 0.00 -0.73 0.00 0.00 57.03 56.04 1xjs h ASP 112 Cb 0.26 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 1xjs h ASP 112 CO 0.00 0.38 0.00 -0.29 -1.03 0.00 0.00 179.24 178.30 1xjs h ILE 113 N -0.08 0.00 -0.33 4.15 2.10 -1.83 -2.42 117.51 119.10 1xjs h ILE 113 Ca 0.03 -0.55 0.07 0.00 1.08 0.00 0.00 64.86 65.49 1xjs h ILE 113 Cb 0.29 1.51 -0.02 0.00 -1.09 0.00 0.00 36.82 37.52 1xjs h ILE 113 CO 0.00 0.00 0.23 -0.33 -1.08 0.00 0.00 178.15 176.97 1xjs h GLU 114 N 0.00 0.12 0.00 2.19 4.39 -1.39 0.59 114.58 120.49 1xjs h GLU 114 Ca 0.00 -0.01 -0.22 0.00 0.34 0.00 0.00 59.36 59.47 1xjs h GLU 114 Cb 0.57 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1xjs h GLU 114 CO 0.00 0.08 -0.93 0.00 -1.16 0.00 0.00 179.01 177.00 1xjs h ALA 115 N 1.83 0.39 0.18 3.43 0.00 -1.50 -3.36 119.26 120.23 1xjs h ALA 115 Ca 0.15 -0.71 -0.34 0.00 0.00 0.00 0.00 54.91 54.00 1xjs h ALA 115 Cb 0.44 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1xjs h ALA 115 CO -0.02 0.83 -1.69 -0.07 0.00 0.00 0.00 179.25 178.30 1xjs h LEU 116 N 0.21 0.60 -2.65 0.00 3.38 -1.35 -3.36 115.31 112.14 1xjs h LEU 116 Ca -0.07 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.03 1xjs h LEU 116 Cb 1.57 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1xjs h LEU 116 CO 0.16 1.73 0.00 0.06 0.09 0.00 0.00 178.44 180.47 1xjs h GLN 117 N 0.11 0.00 0.03 1.13 3.07 -1.07 -2.27 115.11 116.10 1xjs h GLN 117 Ca -0.32 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.42 1xjs h GLN 117 Cb 2.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.66 1xjs h GLN 117 CO 0.19 0.00 -0.01 0.78 0.09 0.00 0.00 178.83 179.87 1xjs h GLY 118 N 0.42 -0.04 2.00 0.06 0.00 -1.73 -3.33 103.07 100.45 1xjs h GLY 118 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1xjs h GLY 118 CO 0.00 -0.01 0.00 -0.39 0.00 0.00 0.00 176.54 176.14 1xjs h VAL 119 N -0.82 0.00 0.00 4.60 -1.51 -1.68 -3.39 116.25 113.46 1xjs h VAL 119 Ca -0.00 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 1xjs h VAL 119 Cb 0.72 1.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 1xjs h VAL 119 CO 0.01 0.00 0.67 0.28 -1.23 0.00 0.00 177.57 177.30 1xjs h SER 120 N 0.00 0.00 0.00 4.19 0.02 -1.54 -2.53 113.55 113.69 1xjs h SER 120 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xjs h SER 120 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1xjs h SER 120 CO 0.00 0.00 0.00 2.29 -1.14 0.00 0.00 176.83 177.98 1xjs n LYS 121 N -2.03 0.00 -2.84 3.45 2.85 -1.26 -4.55 118.16 113.77 1xjs n LYS 121 Ca -0.00 -0.20 -0.38 0.00 -1.05 0.00 0.00 58.31 56.67 1xjs n LYS 121 Cb 0.68 -0.32 -0.06 0.00 -0.65 0.00 0.00 35.03 34.68 1xjs n LYS 121 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1xjs s PHE 122 N 0.00 3.80 0.40 5.58 0.08 -0.99 -4.85 117.98 122.00 1xjs s PHE 122 Ca 0.00 1.75 0.22 0.00 0.12 0.00 0.00 56.93 59.02 1xjs s PHE 122 Cb 0.00 -2.87 1.24 0.00 -0.57 0.00 0.00 43.02 40.81 1xjs s PHE 122 CO 0.00 0.34 1.68 -1.35 -0.10 0.00 0.00 175.22 175.79 1xjs h PRO 123 N 3.65 0.24 -0.01 0.24 0.11 -1.97 0.77 132.00 135.02 1xjs h PRO 123 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xjs h PRO 123 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1xjs h PRO 123 CO 0.66 0.16 -0.05 0.00 -0.21 0.00 0.00 178.00 178.55 1xjs n ALA 124 N -2.44 2.56 0.28 -0.75 0.00 -1.26 -4.56 120.51 114.35 1xjs n ALA 124 Ca 0.32 -0.53 0.03 0.00 0.00 0.00 0.00 53.44 53.26 1xjs n ALA 124 Cb 1.14 -0.32 0.01 0.00 0.00 0.00 0.00 19.45 20.27 1xjs n ALA 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xjs n ARG 125 N 0.32 1.61 0.13 0.00 1.74 0.06 -4.46 116.66 116.06 1xjs n ARG 125 Ca 0.05 -0.61 -0.01 0.00 -0.77 0.00 0.00 57.85 56.51 1xjs n ARG 125 Cb 0.23 -1.02 0.21 0.00 -1.02 0.00 0.00 32.46 30.86 1xjs n ARG 125 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1xjs h ILE 126 N 0.89 1.37 0.00 0.55 2.10 -0.63 -2.40 117.51 119.39 1xjs h ILE 126 Ca 0.00 -1.80 -0.05 0.00 1.08 0.00 0.00 64.86 64.10 1xjs h ILE 126 Cb 0.24 1.93 -0.01 0.00 -1.09 0.00 0.00 36.82 37.89 1xjs h ILE 126 CO 0.00 0.52 -0.38 0.11 -1.08 0.00 0.00 178.15 177.32 1xjs h LYS 127 N 0.07 0.00 -0.20 2.19 1.57 -1.83 0.00 116.57 118.37 1xjs h LYS 127 Ca -0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1xjs h LYS 127 Cb 0.95 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1xjs h LYS 127 CO 0.07 0.19 -0.42 0.00 -0.57 0.00 0.00 179.45 178.72 1xjs h ALA 129 N 1.17 -0.03 -0.33 0.00 0.00 -1.16 -3.15 119.26 115.76 1xjs h ALA 129 Ca 0.03 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 1xjs h ALA 129 Cb 0.90 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1xjs h ALA 129 CO 0.08 0.22 0.08 1.79 0.00 0.00 0.00 179.25 181.41 1xjs h THR 130 N -0.54 1.16 -0.44 0.00 1.35 -1.03 0.44 112.91 113.85 1xjs h THR 130 Ca -0.08 -0.57 -0.10 0.00 -0.55 0.00 0.00 66.41 65.11 1xjs h THR 130 Cb 1.32 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 1xjs h THR 130 CO 0.09 0.20 -0.13 0.17 -0.25 0.00 0.00 175.52 175.60 1xjs h LEU 131 N 0.48 0.88 -0.05 3.87 8.10 -1.50 0.77 115.31 127.86 1xjs h LEU 131 Ca 0.11 -0.37 -0.03 0.00 0.11 0.00 0.00 57.88 57.70 1xjs h LEU 131 Cb 0.20 -0.24 0.00 0.00 -0.44 0.00 0.00 40.66 40.18 1xjs h LEU 131 CO -0.00 1.05 -0.10 0.28 -4.11 0.00 0.00 178.44 175.56 1xjs h SER 132 N 0.69 0.17 0.45 0.17 0.02 -1.37 -2.85 113.55 110.84 1xjs h SER 132 Ca 0.11 -0.58 -0.02 0.00 -0.84 0.00 0.00 61.79 60.45 1xjs h SER 132 Cb 0.68 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1xjs h SER 132 CO 0.05 0.72 -0.22 -0.25 -1.14 0.00 0.00 176.83 175.99 1xjs h TRP 133 N -0.37 -0.57 0.00 3.45 7.01 -0.12 -3.02 115.95 122.33 1xjs h TRP 133 Ca 0.00 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.99 1xjs h TRP 133 Cb 0.69 0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.94 1xjs h TRP 133 CO 0.12 -0.27 0.00 0.87 -2.79 0.00 0.00 178.44 176.37 1xjs h LYS 134 N -0.78 0.00 -0.44 2.65 1.79 -0.98 0.52 116.57 119.32 1xjs h LYS 134 Ca -0.06 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1xjs h LYS 134 Cb 0.55 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.17 1xjs h LYS 134 CO 0.10 0.00 0.25 0.00 -1.08 0.00 0.00 179.45 178.72 1xjs h ALA 135 N 2.04 0.56 0.07 3.86 0.00 -1.38 -0.36 119.26 124.06 1xjs h ALA 135 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 54.91 54.53 1xjs h ALA 135 Cb 0.61 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1xjs h ALA 135 CO 0.00 0.07 -1.60 -0.07 0.00 0.00 0.00 179.25 177.65 1xjs h LEU 136 N 0.58 0.24 -2.34 0.00 4.07 -1.33 -0.44 115.31 116.09 1xjs h LEU 136 Ca 0.16 -0.39 -0.00 0.00 0.08 0.00 0.00 57.88 57.72 1xjs h LEU 136 Cb 0.03 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 41.69 1xjs h LEU 136 CO -0.03 1.34 -0.02 -0.08 -1.08 0.00 0.00 178.44 178.57 1xjs h GLU 137 N 0.04 0.00 0.00 1.13 4.57 0.04 -2.89 114.58 117.48 1xjs h GLU 137 Ca -0.26 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.71 1xjs h GLU 137 Cb 1.99 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 30.55 1xjs h GLU 137 CO 0.12 0.02 -1.77 1.17 -1.18 0.00 0.00 179.01 177.37 1xjs n LYS 138 N -3.19 0.33 0.02 1.92 4.81 -0.15 -3.93 118.16 117.98 1xjs n LYS 138 Ca -0.02 0.09 -0.10 0.00 -0.87 0.00 0.00 58.31 57.41 1xjs n LYS 138 Cb 0.17 -1.23 -0.05 0.00 0.02 0.00 0.00 35.03 33.95 1xjs n LYS 138 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1xjs h GLY 139 N 0.79 -0.03 0.00 3.14 0.00 -1.03 -3.34 103.07 102.60 1xjs h GLY 139 Ca -0.31 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1xjs h GLY 139 CO -0.07 -0.09 0.00 3.33 0.00 0.00 0.00 176.54 179.71 1xjs n VAL 140 N -5.21 0.00 -4.35 4.60 0.24 -1.16 -5.01 118.33 107.45 1xjs n VAL 140 Ca -0.05 -0.37 -0.18 0.00 -2.04 0.00 0.00 64.34 61.70 1xjs n VAL 140 Cb 0.13 1.05 -0.10 0.00 -1.47 0.00 0.00 33.84 33.45 1xjs n VAL 140 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xjs s ALA 141 N -0.59 1.97 0.00 2.33 0.00 -1.10 -3.10 121.76 121.27 1xjs s ALA 141 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.23 1xjs s ALA 141 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.26 1xjs s ALA 141 CO 0.00 -0.07 0.00 1.17 0.00 0.00 0.00 175.76 176.86 1xjs n LYS 142 N -0.42 0.00 0.00 0.00 4.81 -1.25 -3.84 118.16 117.46 1xjs n LYS 142 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1xjs n LYS 142 Cb 0.62 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.67 1xjs n LYS 142 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1xjs n GLU 143 N 0.00 0.00 0.04 1.64 1.02 -1.22 -4.55 120.64 117.57 1xjs n GLU 143 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xjs n GLU 143 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1xjs n GLU 143 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1xjs n GLU 144 N 0.00 0.00 -3.15 3.49 0.00 -1.26 -3.50 120.64 116.22 1xjs n GLU 144 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.20 1xjs n GLU 144 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.43 1xjs n GLU 144 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1xjs s GLY 145 N -1.35 -1.10 -0.31 8.31 0.00 -1.26 -5.11 107.32 106.51 1xjs s GLY 145 Ca 0.00 1.56 -0.09 0.00 0.00 0.00 0.00 44.72 46.19 1xjs s GLY 145 CO 0.00 3.49 1.02 -0.32 0.00 0.00 0.00 173.10 177.29 1xjs s GLY 146 N 2.85 -1.16 0.00 0.20 0.00 -1.26 -5.26 107.32 102.69 1xjs s GLY 146 Ca 0.17 1.73 0.26 0.00 0.00 0.00 0.00 44.72 46.88 1xjs s GLY 146 CO -0.23 4.14 1.52 -2.01 0.00 0.00 0.00 173.10 176.53