#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tjs h LYS 2 N 0.00 -0.07 -0.82 3.17 3.64 -1.97 0.09 116.57 120.60 1tjs h LYS 2 Ca 0.00 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1tjs h LYS 2 Cb 0.00 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1tjs h LYS 2 CO 0.00 -0.05 0.47 1.96 -2.27 0.00 0.00 179.45 179.56 1tjs h GLN 3 N -0.08 1.14 -0.34 1.90 7.50 -1.99 -1.50 115.11 121.74 1tjs h GLN 3 Ca 0.27 -0.12 -0.03 0.00 0.50 0.00 0.00 58.65 59.27 1tjs h GLN 3 Cb 0.56 -0.23 -0.01 0.00 0.05 0.00 0.00 27.48 27.85 1tjs h GLN 3 CO -0.86 0.83 0.10 -0.92 -1.50 0.00 0.00 178.83 176.48 1tjs h TYR 4 N 1.14 0.55 -0.12 2.96 3.20 -1.73 -2.15 116.97 120.81 1tjs h TYR 4 Ca 0.29 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 1tjs h TYR 4 Cb 0.01 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 1tjs h TYR 4 CO 0.00 0.55 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.85 1tjs h LEU 5 N 0.40 0.18 -0.62 2.82 4.07 -0.81 -2.09 115.31 119.26 1tjs h LEU 5 Ca 0.11 -0.04 -0.13 0.00 0.08 0.00 0.00 57.88 57.90 1tjs h LEU 5 Cb 0.26 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 1tjs h LEU 5 CO -0.00 0.36 -0.29 -0.33 -1.08 0.00 0.00 178.44 177.10 1tjs h GLU 6 N 0.19 0.78 0.04 1.13 5.08 -0.98 -2.38 114.58 118.44 1tjs h GLU 6 Ca 0.04 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1tjs h GLU 6 Cb 0.39 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1tjs h GLU 6 CO 0.02 0.97 -0.02 1.25 -1.00 0.00 0.00 179.01 180.23 1tjs h LEU 7 N 0.67 -0.05 -0.32 1.33 6.46 -0.91 -1.70 115.31 120.79 1tjs h LEU 7 Ca 0.08 -0.23 0.06 0.00 -0.12 0.00 0.00 57.88 57.67 1tjs h LEU 7 Cb 0.82 0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.70 1tjs h LEU 7 CO 0.07 0.21 -0.05 0.24 -0.62 0.00 0.00 178.44 178.29 1tjs h MET 8 N -0.31 0.03 -0.64 1.25 2.86 -1.32 -0.82 114.93 115.98 1tjs h MET 8 Ca -0.01 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1tjs h MET 8 Cb 0.28 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 1tjs h MET 8 CO 0.01 0.02 0.36 0.37 1.06 0.00 0.00 176.91 178.73 1tjs h GLN 9 N 0.03 0.87 -0.33 1.72 5.75 -1.43 -2.22 115.11 119.51 1tjs h GLN 9 Ca 0.15 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.53 1tjs h GLN 9 Cb 0.23 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1tjs h GLN 9 CO -0.30 0.62 0.03 -0.22 -2.65 0.00 0.00 178.83 176.31 1tjs h LYS 10 N 0.88 0.56 -0.85 1.69 3.64 -0.30 0.90 116.57 123.09 1tjs h LYS 10 Ca 0.23 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1tjs h LYS 10 Cb -0.00 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 1tjs h LYS 10 CO -0.04 0.66 0.51 0.28 -2.27 0.00 0.00 179.45 178.59 1tjs h VAL 11 N 0.38 1.23 0.06 2.00 2.07 -0.84 0.28 116.25 121.43 1tjs h VAL 11 Ca 0.10 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1tjs h VAL 11 Cb 0.39 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1tjs h VAL 11 CO 0.01 0.25 -0.03 -0.07 0.02 0.00 0.00 177.57 177.75 1tjs h LEU 12 N 1.17 -0.06 -1.01 2.57 3.38 -1.16 0.12 115.31 120.32 1tjs h LEU 12 Ca 0.30 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1tjs h LEU 12 Cb -0.05 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1tjs h LEU 12 CO -0.06 0.21 0.01 0.44 0.09 0.00 0.00 178.44 179.13 1tjs h ASP 13 N -0.35 0.69 0.00 -0.43 3.32 -0.33 -3.36 116.42 115.96 1tjs h ASP 13 Ca -0.01 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1tjs h ASP 13 Cb 0.31 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1tjs h ASP 13 CO 0.01 0.75 -0.13 -1.84 -1.72 0.00 0.00 179.24 176.31 1tjs n GLU 14 N -4.23 0.65 -2.69 3.56 0.28 0.95 -5.08 120.64 114.08 1tjs n GLU 14 Ca 0.02 -1.01 -0.38 0.00 -0.16 0.00 0.00 57.16 55.63 1tjs n GLU 14 Cb 0.28 -0.69 -0.06 0.00 1.43 0.00 0.00 31.44 32.41 1tjs n GLU 14 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1tjs s GLY 15 N -0.72 2.85 0.20 -1.84 0.00 0.41 -4.87 107.32 103.35 1tjs s GLY 15 Ca 0.03 0.61 -0.07 0.00 0.00 0.00 0.00 44.72 45.30 1tjs s GLY 15 CO 0.00 1.08 0.48 -1.59 0.00 0.00 0.00 173.10 173.07 1tjs s THR 16 N -1.53 5.05 -0.20 0.90 2.01 -0.51 -4.60 115.64 116.77 1tjs s THR 16 Ca 0.50 0.20 -0.29 0.00 0.31 0.00 0.00 61.69 62.41 1tjs s THR 16 Cb -0.22 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1tjs s THR 16 CO 0.27 -0.07 1.56 -1.10 -0.69 0.00 0.00 174.62 174.59 1tjs s GLN 17 N -2.89 3.91 -0.03 4.92 -0.21 -1.26 -0.22 119.66 123.87 1tjs s GLN 17 Ca 0.44 1.70 -0.01 0.00 0.02 0.00 0.00 55.36 57.51 1tjs s GLN 17 Cb -0.11 -3.99 0.03 0.00 1.00 0.00 0.00 33.01 29.94 1tjs s GLN 17 CO 0.24 -1.15 0.06 0.21 -2.12 0.00 0.00 175.29 172.53 1tjs s LYS 18 N 4.41 -0.05 0.39 2.91 2.20 0.62 -4.93 119.74 125.28 1tjs s LYS 18 Ca 0.69 0.31 -0.17 0.00 -0.36 0.00 0.00 55.97 56.44 1tjs s LYS 18 Cb -0.25 -0.39 -0.09 0.00 -1.51 0.00 0.00 37.83 35.59 1tjs s LYS 18 CO 0.27 -0.26 0.85 -0.80 -0.36 0.00 0.00 175.35 175.05 1tjs s ASN 19 N 1.72 6.80 0.12 1.43 -0.87 -1.26 0.33 114.94 123.21 1tjs s ASN 19 Ca -0.01 1.46 0.02 0.00 -1.57 0.00 0.00 52.86 52.76 1tjs s ASN 19 Cb -0.12 -2.45 0.02 0.00 -0.02 0.00 0.00 41.25 38.68 1tjs s ASN 19 CO -0.03 -0.32 0.16 -0.90 -2.57 0.00 0.00 177.10 173.44 1tjs n ASP 20 N -0.68 0.42 -4.53 -1.22 5.75 -0.78 -4.90 116.55 110.60 1tjs n ASP 20 Ca 0.05 -1.31 -0.38 0.00 -0.01 0.00 0.00 54.79 53.14 1tjs n ASP 20 Cb 0.54 -0.09 -0.09 0.00 -1.03 0.00 0.00 41.12 40.45 1tjs n ASP 20 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1tjs n ARG 21 N -1.26 0.54 -3.92 0.11 3.00 -1.26 -2.82 116.66 111.06 1tjs n ARG 21 Ca 0.03 -0.02 -0.41 0.00 -0.01 0.00 0.00 57.85 57.45 1tjs n ARG 21 Cb 0.12 -2.53 0.03 0.00 0.00 0.00 0.00 32.46 30.08 1tjs n ARG 21 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1tjs n THR 22 N 7.76 -4.01 0.00 0.55 -1.04 -1.26 -4.83 114.28 111.44 1tjs n THR 22 Ca 0.51 -0.75 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 1tjs n THR 22 Cb 0.30 -3.14 0.00 0.00 -1.82 0.00 0.00 70.33 65.68 1tjs n THR 22 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1tjs n GLY 23 N -1.93 1.31 3.58 3.41 0.00 -1.13 -5.09 105.19 105.35 1tjs n GLY 23 Ca -0.10 0.06 -0.47 0.00 0.00 0.00 0.00 46.02 45.52 1tjs n GLY 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1tjs n THR 24 N 0.00 1.47 -1.83 2.61 -1.04 -1.26 -4.41 114.28 109.82 1tjs n THR 24 Ca 0.00 -0.37 -0.30 0.00 -2.04 0.00 0.00 64.05 61.34 1tjs n THR 24 Cb 0.00 -0.90 0.04 0.00 -1.82 0.00 0.00 70.33 67.64 1tjs n THR 24 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1tjs s GLY 25 N -0.30 1.64 0.18 3.41 0.00 -1.26 -1.87 107.32 109.11 1tjs s GLY 25 Ca 0.66 -0.20 -0.07 0.00 0.00 0.00 0.00 44.72 45.10 1tjs s GLY 25 CO 0.56 0.13 0.25 -0.51 0.00 0.00 0.00 173.10 173.53 1tjs s THR 26 N -3.25 0.05 -0.22 0.90 -4.23 0.15 -2.03 115.64 107.01 1tjs s THR 26 Ca 0.57 -1.57 -0.06 0.00 -1.18 0.00 0.00 61.69 59.46 1tjs s THR 26 Cb -0.12 -2.02 -0.02 0.00 1.34 0.00 0.00 72.50 71.68 1tjs s THR 26 CO 0.53 -0.24 0.02 -0.76 -0.54 0.00 0.00 174.62 173.63 1tjs s LEU 27 N -3.02 3.27 0.01 4.79 1.43 -0.36 -0.28 118.68 124.53 1tjs s LEU 27 Ca 0.22 -0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.15 1tjs s LEU 27 Cb 0.04 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 1tjs s LEU 27 CO 0.03 0.02 -0.18 -0.44 0.23 0.00 0.00 176.35 176.01 1tjs s SER 28 N 1.27 2.13 0.14 2.29 0.01 0.69 -2.02 113.70 118.22 1tjs s SER 28 Ca 0.04 -0.40 0.08 0.00 1.31 0.00 0.00 55.95 56.98 1tjs s SER 28 Cb -0.15 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.84 1tjs s SER 28 CO 0.02 0.17 -0.18 0.27 0.41 0.00 0.00 173.24 173.93 1tjs s ILE 29 N -0.60 1.70 -0.11 1.44 -4.36 -0.74 -1.42 121.20 117.10 1tjs s ILE 29 Ca 0.06 -1.79 0.03 0.00 -0.26 0.00 0.00 60.65 58.69 1tjs s ILE 29 Cb -0.08 -1.71 0.01 0.00 1.25 0.00 0.00 42.46 41.93 1tjs s ILE 29 CO 0.00 -0.27 -0.19 0.12 0.24 0.00 0.00 174.94 174.84 1tjs s PHE 30 N -1.84 2.29 0.00 1.37 5.36 -1.26 -1.36 117.98 122.54 1tjs s PHE 30 Ca 0.12 -1.05 0.00 0.00 -0.96 0.00 0.00 56.93 55.05 1tjs s PHE 30 Cb -0.07 -1.58 0.00 0.00 -0.34 0.00 0.00 43.02 41.03 1tjs s PHE 30 CO 0.05 -0.48 0.00 0.41 -1.46 0.00 0.00 175.22 173.74 1tjs n GLY 31 N 3.93 -2.54 3.35 13.12 0.00 -0.32 -5.00 105.19 117.73 1tjs n GLY 31 Ca -0.20 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 1tjs n GLY 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1tjs s HIS 32 N 0.00 -0.41 -0.02 1.61 5.04 -0.97 -4.97 115.29 115.57 1tjs s HIS 32 Ca 0.00 0.79 0.01 0.00 -1.54 0.00 0.00 55.06 54.31 1tjs s HIS 32 Cb 0.00 0.20 0.02 0.00 0.04 0.00 0.00 32.58 32.84 1tjs s HIS 32 CO 0.00 -0.41 -0.00 -1.14 -2.34 0.00 0.00 174.74 170.85 1tjs s GLN 33 N -0.84 0.26 0.13 2.88 0.74 -1.26 -1.23 119.66 120.36 1tjs s GLN 33 Ca -0.09 0.04 0.07 0.00 0.05 0.00 0.00 55.36 55.43 1tjs s GLN 33 Cb -0.03 -0.40 -0.04 0.00 1.10 0.00 0.00 33.01 33.64 1tjs s GLN 33 CO 0.05 -0.09 -0.17 -1.64 -0.55 0.00 0.00 175.29 172.89 1tjs s MET 34 N 0.74 1.12 -0.06 1.67 -1.94 -0.34 -4.98 119.30 115.52 1tjs s MET 34 Ca -0.07 -1.28 0.02 0.00 -1.71 0.00 0.00 55.69 52.64 1tjs s MET 34 Cb -0.10 -1.13 0.02 0.00 2.01 0.00 0.00 34.83 35.62 1tjs s MET 34 CO -0.01 0.23 -0.10 0.50 -0.01 0.00 0.00 175.02 175.63 1tjs s ARG 35 N -2.58 1.43 -0.14 2.03 3.52 -1.26 -0.65 118.95 121.30 1tjs s ARG 35 Ca 0.11 -0.32 0.02 0.00 -0.13 0.00 0.00 55.73 55.40 1tjs s ARG 35 Cb -0.06 -1.23 0.01 0.00 -1.56 0.00 0.00 34.95 32.11 1tjs s ARG 35 CO 0.05 0.00 -0.21 -0.06 -0.81 0.00 0.00 175.30 174.27 1tjs s PHE 36 N 0.71 2.62 -0.48 5.12 0.08 -0.36 -4.97 117.98 120.69 1tjs s PHE 36 Ca -0.14 -1.36 -0.24 0.00 0.12 0.00 0.00 56.93 55.32 1tjs s PHE 36 Cb -0.15 -1.79 0.03 0.00 -0.57 0.00 0.00 43.02 40.54 1tjs s PHE 36 CO 0.03 -0.64 0.85 1.21 -0.10 0.00 0.00 175.22 176.57 1tjs s ASN 37 N 0.92 6.40 0.10 1.36 3.04 -1.26 -0.95 114.94 124.55 1tjs s ASN 37 Ca -0.05 -0.16 0.12 0.00 0.04 0.00 0.00 52.86 52.81 1tjs s ASN 37 Cb -0.15 -2.41 0.54 0.00 -1.54 0.00 0.00 41.25 37.69 1tjs s ASN 37 CO -0.04 -1.03 1.36 0.18 -3.04 0.00 0.00 177.10 174.53 1tjs n LEU 38 N 6.99 0.20 0.22 3.21 4.77 -0.51 -1.03 117.00 130.86 1tjs n LEU 38 Ca 0.03 0.57 0.13 0.00 -0.03 0.00 0.00 56.01 56.71 1tjs n LEU 38 Cb 0.48 -0.57 0.24 0.00 -2.33 0.00 0.00 43.42 41.24 1tjs n LEU 38 CO 0.61 -0.52 0.83 -0.61 -1.33 0.00 0.00 177.39 176.37 1tjs h GLN 39 N 0.00 0.00 -0.03 3.23 5.75 -1.82 -3.06 115.11 119.19 1tjs h GLN 39 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1tjs h GLN 39 Cb 0.12 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.67 1tjs h GLN 39 CO 0.00 0.00 0.00 -0.25 -2.65 0.00 0.00 178.83 175.93 1tjs n ASP 40 N -3.07 0.75 0.00 -0.69 8.00 -0.20 -5.00 116.55 116.34 1tjs n ASP 40 Ca 0.04 -1.33 0.00 0.00 0.71 0.00 0.00 54.79 54.21 1tjs n ASP 40 Cb 0.50 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1tjs n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tjs n GLY 41 N 1.05 3.35 3.68 0.44 0.00 -1.15 -4.79 105.19 107.77 1tjs n GLY 41 Ca 0.20 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 1tjs n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1tjs s PHE 42 N -2.91 2.66 -0.95 1.61 5.36 -0.18 -4.60 117.98 118.96 1tjs s PHE 42 Ca 0.00 0.70 -0.20 0.00 -0.96 0.00 0.00 56.93 56.46 1tjs s PHE 42 Cb 0.00 -3.70 -0.11 0.00 -0.34 0.00 0.00 43.02 38.87 1tjs s PHE 42 CO 0.00 -2.68 1.98 -0.35 -1.46 0.00 0.00 175.22 172.71 1tjs n PRO 43 N 5.92 1.82 -4.00 10.12 -0.04 -1.26 -3.95 135.00 143.60 1tjs n PRO 43 Ca 0.14 -2.08 -0.35 0.00 -0.04 0.00 0.00 63.50 61.17 1tjs n PRO 43 Cb 0.43 -3.07 -0.14 0.00 -0.04 0.00 0.00 33.50 30.68 1tjs n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1tjs s LEU 44 N 2.23 2.88 0.02 1.53 2.96 -1.26 -4.17 118.68 122.88 1tjs s LEU 44 Ca 0.56 -0.38 -0.35 0.00 -0.22 0.00 0.00 54.13 53.74 1tjs s LEU 44 Cb 0.13 -1.73 -0.14 0.00 0.50 0.00 0.00 46.19 44.95 1tjs s LEU 44 CO 0.08 0.00 1.64 0.55 -1.32 0.00 0.00 176.35 177.30 1tjs n VAL 45 N 4.63 0.21 -0.01 1.68 3.14 -1.26 -4.84 118.33 121.88 1tjs n VAL 45 Ca -0.18 -0.04 0.11 0.00 -2.96 0.00 0.00 64.34 61.27 1tjs n VAL 45 Cb 0.51 -1.46 -0.16 0.00 -1.06 0.00 0.00 33.84 31.67 1tjs n VAL 45 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1tjs n THR 46 N 3.89 0.06 1.57 1.55 -2.24 -1.26 -4.34 114.28 113.51 1tjs n THR 46 Ca 0.20 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1tjs n THR 46 Cb 0.25 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1tjs n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1tjs n THR 47 N -2.29 0.00 -3.32 4.28 -2.24 -1.26 0.06 114.28 109.51 1tjs n THR 47 Ca -0.04 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1tjs n THR 47 Cb 0.58 -0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.66 1tjs n THR 47 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1tjs s LYS 48 N -1.98 0.19 0.12 -0.78 2.20 -1.26 -4.67 119.74 113.56 1tjs s LYS 48 Ca 0.00 0.47 -0.31 0.00 -0.36 0.00 0.00 55.97 55.76 1tjs s LYS 48 Cb 0.00 0.28 -0.09 0.00 -1.51 0.00 0.00 37.83 36.50 1tjs s LYS 48 CO 0.00 -0.06 1.65 -0.98 -0.36 0.00 0.00 175.35 175.59 1tjs s ARG 49 N 2.27 4.19 0.04 4.03 1.70 -0.49 -4.79 118.95 125.91 1tjs s ARG 49 Ca -0.01 2.39 0.08 0.00 -0.47 0.00 0.00 55.73 57.72 1tjs s ARG 49 Cb -0.04 -3.41 -0.03 0.00 -0.57 0.00 0.00 34.95 30.90 1tjs s ARG 49 CO -0.17 -0.70 -0.23 0.00 -1.08 0.00 0.00 175.30 173.12 1tjs s HIS 51 N -0.85 3.17 0.02 0.00 3.76 -1.26 -4.98 115.29 115.15 1tjs s HIS 51 Ca 0.13 -0.11 0.19 0.00 -0.15 0.00 0.00 55.06 55.11 1tjs s HIS 51 Cb -0.10 -2.33 0.51 0.00 1.11 0.00 0.00 32.58 31.76 1tjs s HIS 51 CO 0.03 -0.25 1.65 1.25 -0.85 0.00 0.00 174.74 176.57 1tjs h LEU 52 N 8.33 0.00 -1.50 0.89 5.85 -2.01 -3.37 115.31 123.50 1tjs h LEU 52 Ca -0.36 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.47 1tjs h LEU 52 Cb 1.18 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 1tjs h LEU 52 CO 0.57 0.37 0.47 0.08 -0.34 0.00 0.00 178.44 179.59 1tjs h ARG 53 N 0.00 0.54 -0.02 1.25 0.11 -2.00 -0.47 114.38 113.79 1tjs h ARG 53 Ca -0.00 -0.03 -0.18 0.00 0.10 0.00 0.00 59.98 59.86 1tjs h ARG 53 Cb 1.04 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.99 1tjs h ARG 53 CO 0.05 0.35 -0.80 0.77 0.10 0.00 0.00 179.97 180.44 1tjs h SER 54 N 0.55 0.26 0.27 0.08 0.02 -2.00 -2.64 113.55 110.09 1tjs h SER 54 Ca 0.33 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1tjs h SER 54 Cb 0.56 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1tjs h SER 54 CO -0.11 0.96 -0.13 0.40 -1.14 0.00 0.00 176.83 176.80 1tjs h ILE 55 N 0.13 0.78 -0.19 3.27 2.04 -1.38 -1.14 117.51 121.02 1tjs h ILE 55 Ca -0.03 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.44 1tjs h ILE 55 Cb 1.39 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 1tjs h ILE 55 CO 0.12 0.09 -0.02 0.40 0.00 0.00 0.00 178.15 178.74 1tjs h ILE 56 N -0.58 0.84 -0.79 -0.67 2.04 -1.21 -1.02 117.51 116.12 1tjs h ILE 56 Ca -0.04 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.82 1tjs h ILE 56 Cb 0.42 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 1tjs h ILE 56 CO 0.06 0.01 0.52 0.45 0.00 0.00 0.00 178.15 179.19 1tjs h HIS 57 N 0.04 0.99 -0.28 1.37 3.86 -1.44 -1.80 115.15 117.88 1tjs h HIS 57 Ca 0.09 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.19 1tjs h HIS 57 Cb 0.13 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.26 1tjs h HIS 57 CO -0.19 0.62 -0.35 1.49 0.86 0.00 0.00 177.93 180.35 1tjs h GLU 58 N 1.06 0.74 0.11 2.45 4.81 -0.70 -2.64 114.58 120.42 1tjs h GLU 58 Ca 0.29 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1tjs h GLU 58 Cb -0.11 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1tjs h GLU 58 CO -0.06 1.04 -0.05 1.25 -0.73 0.00 0.00 179.01 180.45 1tjs h LEU 59 N 0.49 -0.13 -2.41 1.64 5.85 -0.86 -0.68 115.31 119.21 1tjs h LEU 59 Ca 0.04 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1tjs h LEU 59 Cb 0.94 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 1tjs h LEU 59 CO 0.08 -0.04 0.08 -0.07 -0.34 0.00 0.00 178.44 178.15 1tjs h LEU 60 N -0.20 0.00 0.10 2.25 4.07 -1.38 -0.67 115.31 119.48 1tjs h LEU 60 Ca -0.02 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.68 1tjs h LEU 60 Cb 0.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1tjs h LEU 60 CO 0.03 0.00 -1.22 -0.25 -1.08 0.00 0.00 178.44 175.92 1tjs h TRP 61 N 0.00 0.48 -0.34 1.13 7.01 -0.98 -3.14 115.95 120.11 1tjs h TRP 61 Ca 0.03 -0.34 -0.05 0.00 2.11 0.00 0.00 58.89 60.64 1tjs h TRP 61 Cb 0.19 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.22 1tjs h TRP 61 CO 0.00 1.26 0.01 0.74 -2.79 0.00 0.00 178.44 177.66 1tjs h PHE 62 N 0.08 0.64 0.00 2.65 0.04 0.33 -2.92 116.94 117.76 1tjs h PHE 62 Ca -0.13 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.52 1tjs h PHE 62 Cb 1.94 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 39.92 1tjs h PHE 62 CO 0.06 0.69 -0.10 -0.07 -0.60 0.00 0.00 178.31 178.29 1tjs h LEU 63 N 0.40 0.00 -0.76 1.54 3.38 -1.40 -2.38 115.31 116.09 1tjs h LEU 63 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1tjs h LEU 63 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1tjs h LEU 63 CO 0.02 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.65 1tjs n GLN 64 N -3.69 1.52 -1.09 1.13 1.13 -1.17 -4.90 117.38 110.31 1tjs n GLN 64 Ca -0.02 -0.76 -0.03 0.00 -1.94 0.00 0.00 57.00 54.25 1tjs n GLN 64 Cb 0.22 -1.46 -0.01 0.00 0.11 0.00 0.00 30.24 29.09 1tjs n GLN 64 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1tjs n GLY 65 N 1.12 0.55 3.74 1.08 0.00 -0.89 -4.97 105.19 105.81 1tjs n GLY 65 Ca 0.19 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1tjs n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tjs s ASP 66 N -2.30 7.09 0.00 1.61 1.11 -1.11 -4.05 116.67 119.01 1tjs s ASP 66 Ca 0.00 2.25 0.00 0.00 0.18 0.00 0.00 52.55 54.98 1tjs s ASP 66 Cb 0.00 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.38 1tjs s ASP 66 CO 0.00 -0.36 0.61 1.07 1.18 0.00 0.00 175.17 177.67 1tjs n THR 67 N 2.35 0.37 -4.56 -1.27 5.66 -1.26 -4.37 114.28 111.20 1tjs n THR 67 Ca 0.04 -0.50 -0.32 0.00 -3.05 0.00 0.00 64.05 60.22 1tjs n THR 67 Cb 0.45 0.97 -0.11 0.00 -1.55 0.00 0.00 70.33 70.08 1tjs n THR 67 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1tjs s ASN 68 N -0.37 4.40 0.33 1.09 2.47 -1.26 -2.10 114.94 119.50 1tjs s ASN 68 Ca 0.00 -0.19 0.25 0.00 0.42 0.00 0.00 52.86 53.34 1tjs s ASN 68 Cb 0.00 -0.97 1.17 0.00 -1.45 0.00 0.00 41.25 40.00 1tjs s ASN 68 CO 0.00 0.29 1.76 0.40 -3.72 0.00 0.00 177.10 175.83 1tjs h ILE 69 N 3.89 0.00 -0.72 -5.21 1.08 -0.74 -3.37 117.51 112.44 1tjs h ILE 69 Ca -0.48 -0.17 0.12 0.00 -0.39 0.00 0.00 64.86 63.94 1tjs h ILE 69 Cb 1.16 0.86 -0.13 0.00 -3.07 0.00 0.00 36.82 35.64 1tjs h ILE 69 CO 0.52 0.00 -0.35 0.00 -0.69 0.00 0.00 178.15 177.63 1tjs h ALA 70 N 2.14 0.02 -1.01 1.87 0.00 -1.92 -1.14 119.26 119.22 1tjs h ALA 70 Ca 0.00 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1tjs h ALA 70 Cb 0.24 0.86 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1tjs h ALA 70 CO 0.00 -0.66 0.66 -0.92 0.00 0.00 0.00 179.25 178.33 1tjs h TYR 71 N -0.11 1.24 -0.29 0.00 3.20 -2.00 -0.99 116.97 118.03 1tjs h TYR 71 Ca 0.27 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 62.05 1tjs h TYR 71 Cb 0.57 -0.41 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1tjs h TYR 71 CO -0.72 0.72 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.13 1tjs h LEU 72 N 1.28 0.63 -0.53 2.82 3.38 -1.55 -3.08 115.31 118.26 1tjs h LEU 72 Ca 0.40 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1tjs h LEU 72 Cb -0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1tjs h LEU 72 CO -0.12 0.91 0.08 0.45 0.09 0.00 0.00 178.44 179.85 1tjs h HIS 73 N 0.52 0.93 -0.14 1.13 3.86 -0.53 0.39 115.15 121.31 1tjs h HIS 73 Ca 0.06 -0.13 0.04 0.00 -1.16 0.00 0.00 60.37 59.18 1tjs h HIS 73 Cb 0.81 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 1tjs h HIS 73 CO 0.03 0.84 0.16 0.93 0.86 0.00 0.00 177.93 180.75 1tjs h GLU 74 N 0.76 0.00 -0.48 2.45 5.08 -1.12 0.95 114.58 122.22 1tjs h GLU 74 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1tjs h GLU 74 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1tjs h GLU 74 CO 0.01 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.11 1tjs n ASN 75 N -3.82 3.35 -1.98 1.42 4.13 -0.82 -4.96 115.26 112.58 1tjs n ASN 75 Ca 0.01 -1.96 -0.19 0.00 1.68 0.00 0.00 54.58 54.12 1tjs n ASN 75 Cb 0.27 -0.32 -0.02 0.00 -1.54 0.00 0.00 39.78 38.17 1tjs n ASN 75 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1tjs n ASN 76 N 1.11 -5.38 -4.64 6.41 4.05 0.33 -4.97 115.26 112.17 1tjs n ASN 76 Ca 0.17 0.09 -0.39 0.00 0.45 0.00 0.00 54.58 54.91 1tjs n ASN 76 Cb 0.52 -4.46 -0.08 0.00 1.23 0.00 0.00 39.78 36.99 1tjs n ASN 76 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1tjs s VAL 77 N -2.88 5.17 -0.12 3.44 1.01 0.13 -4.98 120.40 122.17 1tjs s VAL 77 Ca 0.00 0.68 0.17 0.00 0.00 0.00 0.00 61.98 62.83 1tjs s VAL 77 Cb 0.00 -3.73 0.26 0.00 0.00 0.00 0.00 36.38 32.91 1tjs s VAL 77 CO 0.00 0.20 1.14 1.07 0.00 0.00 0.00 175.10 177.50 1tjs n THR 78 N 4.72 1.70 0.35 3.92 5.66 -1.26 -3.77 114.28 125.61 1tjs n THR 78 Ca -0.08 -2.06 0.09 0.00 -3.05 0.00 0.00 64.05 58.95 1tjs n THR 78 Cb 0.51 -0.16 0.41 0.00 -1.55 0.00 0.00 70.33 69.53 1tjs n THR 78 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 1tjs n ILE 79 N -1.28 1.02 0.32 1.09 -5.35 -1.26 -2.80 119.36 111.10 1tjs n ILE 79 Ca 0.14 0.33 0.05 0.00 -0.27 0.00 0.00 62.75 63.01 1tjs n ILE 79 Cb 0.65 -1.23 0.05 0.00 -1.74 0.00 0.00 39.64 37.37 1tjs n ILE 79 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 1tjs n TRP 80 N -1.96 0.05 -0.31 4.28 7.02 -1.26 -4.61 117.44 120.64 1tjs n TRP 80 Ca 0.02 -0.06 0.05 0.00 -1.02 0.00 0.00 57.50 56.48 1tjs n TRP 80 Cb 0.16 -0.00 0.19 0.00 -2.42 0.00 0.00 31.31 29.24 1tjs n TRP 80 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1tjs h ASP 81 N 1.83 0.72 -1.03 -0.99 5.19 -1.88 -2.02 116.42 118.23 1tjs h ASP 81 Ca 0.00 0.05 0.26 0.00 -0.62 0.00 0.00 57.03 56.72 1tjs h ASP 81 Cb 0.43 -0.08 -0.11 0.00 0.18 0.00 0.00 39.33 39.75 1tjs h ASP 81 CO 0.00 0.39 0.64 -0.08 -3.12 0.00 0.00 179.24 177.07 1tjs h GLU 82 N 0.82 0.46 0.00 3.56 4.81 -1.81 -2.91 114.58 119.50 1tjs h GLU 82 Ca 0.43 -0.03 -0.33 0.00 -0.13 0.00 0.00 59.36 59.30 1tjs h GLU 82 Cb 0.44 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.65 1tjs h GLU 82 CO -0.27 0.30 -2.18 0.91 -0.73 0.00 0.00 179.01 177.04 1tjs n TRP 83 N -4.73 0.26 -1.34 0.92 8.01 -0.80 -5.00 117.44 114.76 1tjs n TRP 83 Ca 0.26 0.09 -0.35 0.00 -1.31 0.00 0.00 57.50 56.20 1tjs n TRP 83 Cb 0.83 -1.03 0.10 0.00 -2.01 0.00 0.00 31.31 29.20 1tjs n TRP 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1tjs n ALA 84 N -2.67 0.27 -2.41 6.99 0.00 -0.96 -4.87 120.51 116.85 1tjs n ALA 84 Ca -0.27 -0.20 -0.15 0.00 0.00 0.00 0.00 53.44 52.82 1tjs n ALA 84 Cb 1.10 -2.24 0.08 0.00 0.00 0.00 0.00 19.45 18.39 1tjs n ALA 84 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1tjs n ASP 85 N -2.52 0.80 0.17 0.00 5.68 -0.86 -4.85 116.55 114.97 1tjs n ASP 85 Ca 0.14 -1.69 0.10 0.00 -0.50 0.00 0.00 54.79 52.84 1tjs n ASP 85 Cb 0.49 -0.43 0.56 0.00 -1.14 0.00 0.00 41.12 40.61 1tjs n ASP 85 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1tjs h GLU 86 N 0.00 0.00 -0.01 0.11 9.09 -1.96 0.22 114.58 122.02 1tjs h GLU 86 Ca -0.21 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.20 1tjs h GLU 86 Cb 0.77 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.87 1tjs h GLU 86 CO 0.22 0.00 -0.51 0.09 0.05 0.00 0.00 179.01 178.86 1tjs n ASN 87 N -2.25 1.95 0.00 3.06 4.13 -1.26 -4.95 115.26 115.95 1tjs n ASN 87 Ca -0.01 -1.47 0.00 0.00 1.68 0.00 0.00 54.58 54.77 1tjs n ASN 87 Cb 0.11 0.51 0.00 0.00 -1.54 0.00 0.00 39.78 38.86 1tjs n ASN 87 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1tjs n GLY 88 N 1.43 0.55 3.77 7.41 0.00 0.77 -4.83 105.19 114.27 1tjs n GLY 88 Ca 0.09 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 1tjs n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tjs s ASP 89 N -2.35 6.93 -0.00 1.61 1.01 -1.26 0.02 116.67 122.61 1tjs s ASP 89 Ca 0.00 1.10 0.14 0.00 0.71 0.00 0.00 52.55 54.50 1tjs s ASP 89 Cb 0.00 -2.34 -0.16 0.00 1.01 0.00 0.00 42.92 41.43 1tjs s ASP 89 CO 0.00 0.13 0.53 0.18 0.21 0.00 0.00 175.17 176.22 1tjs n LEU 90 N 2.67 0.54 0.00 1.23 4.77 -0.89 -2.03 117.00 123.29 1tjs n LEU 90 Ca -0.08 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1tjs n LEU 90 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1tjs n LEU 90 CO 0.43 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1tjs n GLY 91 N 1.38 0.08 2.59 -0.72 0.00 -1.26 -0.31 105.19 106.94 1tjs n GLY 91 Ca 0.02 -2.00 -0.17 0.00 0.00 0.00 0.00 46.02 43.87 1tjs n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1tjs n PRO 92 N -0.19 1.70 -0.36 1.61 -0.04 -1.26 -4.85 135.00 131.61 1tjs n PRO 92 Ca 0.00 -1.20 -0.06 0.00 -0.04 0.00 0.00 63.50 62.20 1tjs n PRO 92 Cb 0.00 -2.29 0.04 0.00 -0.04 0.00 0.00 33.50 31.22 1tjs n PRO 92 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1tjs n VAL 93 N 4.03 0.00 -0.02 0.52 0.24 -1.26 -4.47 118.33 117.36 1tjs n VAL 93 Ca 0.36 -0.19 -0.01 0.00 -2.04 0.00 0.00 64.34 62.47 1tjs n VAL 93 Cb 0.17 -1.74 -0.00 0.00 -1.47 0.00 0.00 33.84 30.80 1tjs n VAL 93 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1tjs n TYR 94 N -2.50 -0.02 -0.22 6.34 4.01 -1.26 -0.87 117.16 122.64 1tjs n TYR 94 Ca 0.03 0.06 0.02 0.00 -0.16 0.00 0.00 57.90 57.86 1tjs n TYR 94 Cb 0.12 -0.25 0.11 0.00 -0.31 0.00 0.00 39.34 39.01 1tjs n TYR 94 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1tjs h GLY 95 N 0.00 0.69 1.00 2.72 0.00 -1.76 0.46 103.07 106.18 1tjs h GLY 95 Ca 0.01 0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 1tjs h GLY 95 CO -0.05 -0.22 0.18 1.70 0.00 0.00 0.00 176.54 178.14 1tjs h LYS 96 N 0.11 0.91 -0.19 4.80 1.63 -1.15 -2.30 116.57 120.38 1tjs h LYS 96 Ca 0.35 -0.20 -0.18 0.00 -0.85 0.00 0.00 60.65 59.77 1tjs h LYS 96 Cb 0.57 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1tjs h LYS 96 CO -0.57 0.82 -0.61 1.96 -3.45 0.00 0.00 179.45 177.60 1tjs h GLN 97 N 0.82 0.65 -0.25 1.90 1.08 -1.02 0.14 115.11 118.43 1tjs h GLN 97 Ca 0.19 -0.44 -0.03 0.00 -1.45 0.00 0.00 58.65 56.91 1tjs h GLN 97 Cb 0.29 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 1tjs h GLN 97 CO -0.00 1.06 0.03 -1.49 -0.95 0.00 0.00 178.83 177.47 1tjs h TRP 98 N 0.48 0.46 0.00 2.96 4.06 -0.91 -3.24 115.95 119.76 1tjs h TRP 98 Ca -0.00 -0.07 -0.03 0.00 2.06 0.00 0.00 58.89 60.85 1tjs h TRP 98 Cb 1.18 -0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 29.22 1tjs h TRP 98 CO 0.06 0.56 -1.66 0.54 -3.56 0.00 0.00 178.44 174.37 1tjs n ARG 99 N -4.67 0.64 -2.94 0.49 5.12 -0.87 -0.88 116.66 113.56 1tjs n ARG 99 Ca -0.03 -0.06 -0.13 0.00 -1.93 0.00 0.00 57.85 55.69 1tjs n ARG 99 Cb 0.21 -1.64 0.03 0.00 -1.16 0.00 0.00 32.46 29.91 1tjs n ARG 99 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1tjs n ALA 100 N -2.27 0.69 -1.67 7.54 0.00 0.49 -3.67 120.51 121.63 1tjs n ALA 100 Ca -0.04 -2.39 -0.42 0.00 0.00 0.00 0.00 53.44 50.58 1tjs n ALA 100 Cb 0.61 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 1tjs n ALA 100 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1tjs s TRP 101 N -1.08 1.27 0.07 0.00 -0.11 -0.37 -4.47 118.94 114.25 1tjs s TRP 101 Ca 0.30 -0.26 -0.30 0.00 1.22 0.00 0.00 56.10 57.06 1tjs s TRP 101 Cb 0.33 -4.18 -0.05 0.00 -1.50 0.00 0.00 33.47 28.06 1tjs s TRP 101 CO -0.06 -5.26 1.08 -2.14 -4.62 0.00 0.00 176.95 165.95 1tjs s PRO 102 N 4.83 4.53 0.25 5.86 0.02 -1.26 0.26 135.00 149.49 1tjs s PRO 102 Ca 0.90 1.61 0.05 0.00 0.02 0.00 0.00 61.00 63.58 1tjs s PRO 102 Cb -0.41 -3.38 -0.03 0.00 0.02 0.00 0.00 34.50 30.71 1tjs s PRO 102 CO 0.40 -0.08 0.37 0.95 -0.33 0.00 0.00 177.00 178.31 1tjs s THR 103 N 0.71 5.17 0.40 0.99 -4.23 -0.15 -4.98 115.64 113.55 1tjs s THR 103 Ca 0.54 -0.97 0.09 0.00 -1.18 0.00 0.00 61.69 60.16 1tjs s THR 103 Cb -0.26 -3.83 0.30 0.00 1.34 0.00 0.00 72.50 70.05 1tjs s THR 103 CO 0.30 -0.32 1.99 -0.65 -0.54 0.00 0.00 174.62 175.39 1tjs h PRO 104 N 1.14 0.56 -0.79 3.99 0.11 -1.97 -2.68 132.00 132.36 1tjs h PRO 104 Ca -0.51 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.47 1tjs h PRO 104 Cb 1.23 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 1tjs h PRO 104 CO 0.60 0.37 0.11 -0.40 -0.21 0.00 0.00 178.00 178.48 1tjs n ASP 105 N -4.48 4.04 0.00 -2.05 5.75 -1.26 -4.93 116.55 113.63 1tjs n ASP 105 Ca 0.09 -2.75 0.00 0.00 -0.01 0.00 0.00 54.79 52.12 1tjs n ASP 105 Cb 0.25 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 1tjs n ASP 105 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tjs n GLY 106 N 0.16 0.73 3.96 6.12 0.00 -1.01 -5.07 105.19 110.08 1tjs n GLY 106 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 1tjs n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tjs s ARG 107 N -0.40 2.95 -0.14 1.61 0.52 -1.26 -4.89 118.95 117.34 1tjs s ARG 107 Ca 0.00 -0.58 -0.00 0.00 -0.52 0.00 0.00 55.73 54.62 1tjs s ARG 107 Cb 0.00 -2.55 0.03 0.00 0.52 0.00 0.00 34.95 32.95 1tjs s ARG 107 CO 0.00 -0.36 -0.07 -1.01 0.02 0.00 0.00 175.30 173.88 1tjs s HIS 108 N -2.59 1.62 -0.22 -0.53 3.76 -1.26 -0.97 115.29 115.10 1tjs s HIS 108 Ca 0.50 -0.92 -0.19 0.00 -0.15 0.00 0.00 55.06 54.30 1tjs s HIS 108 Cb -0.10 -1.29 -0.03 0.00 1.11 0.00 0.00 32.58 32.27 1tjs s HIS 108 CO 0.38 -0.57 0.53 0.42 -0.85 0.00 0.00 174.74 174.65 1tjs s ILE 109 N 1.66 5.08 -0.93 0.60 -1.09 0.14 -4.74 121.20 121.93 1tjs s ILE 109 Ca 0.03 0.96 -0.19 0.00 -2.23 0.00 0.00 60.65 59.22 1tjs s ILE 109 Cb -0.14 -3.85 0.12 0.00 -1.58 0.00 0.00 42.46 37.01 1tjs s ILE 109 CO -0.08 0.14 1.15 -0.62 -1.23 0.00 0.00 174.94 174.30 1tjs s ASP 110 N 1.27 6.60 0.32 3.58 -1.08 -1.24 -1.23 116.67 124.89 1tjs s ASP 110 Ca 0.24 -1.95 0.02 0.00 -0.52 0.00 0.00 52.55 50.34 1tjs s ASP 110 Cb -0.15 -2.41 0.55 0.00 -1.46 0.00 0.00 42.92 39.44 1tjs s ASP 110 CO 0.09 -1.12 1.89 1.56 0.52 0.00 0.00 175.17 178.11 1tjs h GLN 111 N 8.95 0.68 0.00 4.34 4.20 -1.26 -2.01 115.11 130.02 1tjs h GLN 111 Ca 0.14 -0.12 -0.13 0.00 0.06 0.00 0.00 58.65 58.60 1tjs h GLN 111 Cb 1.03 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.67 1tjs h GLN 111 CO 1.14 0.61 -0.63 -0.84 -0.67 0.00 0.00 178.83 178.44 1tjs h ILE 112 N 0.67 1.25 0.01 2.54 -0.00 -1.86 -1.30 117.51 118.81 1tjs h ILE 112 Ca 0.15 -2.32 -0.22 0.00 -0.00 0.00 0.00 64.86 62.47 1tjs h ILE 112 Cb 0.23 2.33 -0.00 0.00 -0.00 0.00 0.00 36.82 39.37 1tjs h ILE 112 CO -0.01 0.62 -0.94 0.74 -0.00 0.00 0.00 178.15 178.57 1tjs h THR 113 N 0.00 1.45 0.02 0.16 2.02 -1.85 -2.24 112.91 112.47 1tjs h THR 113 Ca -0.01 -2.57 -0.00 0.00 0.77 0.00 0.00 66.41 64.60 1tjs h THR 113 Cb 1.28 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 70.17 1tjs h THR 113 CO 0.08 0.76 -0.01 0.74 0.37 0.00 0.00 175.52 177.46 1tjs h THR 114 N 0.16 1.01 -0.44 3.16 2.02 -1.22 -1.51 112.91 116.10 1tjs h THR 114 Ca -0.07 -0.08 0.04 0.00 0.77 0.00 0.00 66.41 67.08 1tjs h THR 114 Cb 1.58 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 69.01 1tjs h THR 114 CO 0.15 0.02 0.19 0.58 0.37 0.00 0.00 175.52 176.84 1tjs h VAL 115 N -0.06 0.92 -0.91 3.16 2.07 -1.21 -1.38 116.25 118.85 1tjs h VAL 115 Ca -0.00 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.44 1tjs h VAL 115 Cb 0.05 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 1tjs h VAL 115 CO 0.00 0.07 0.58 0.25 0.02 0.00 0.00 177.57 178.49 1tjs h LEU 116 N 0.39 0.93 -0.26 2.57 5.85 -1.18 0.12 115.31 123.72 1tjs h LEU 116 Ca 0.20 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1tjs h LEU 116 Cb 0.14 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1tjs h LEU 116 CO -0.16 0.61 0.13 0.78 -0.34 0.00 0.00 178.44 179.45 1tjs h ASN 117 N 1.07 0.34 -0.48 1.25 -0.26 -0.50 -2.52 115.58 114.48 1tjs h ASN 117 Ca 0.38 -0.13 -0.06 0.00 -0.56 0.00 0.00 56.30 55.94 1tjs h ASN 117 Cb 0.12 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 1tjs h ASN 117 CO -0.16 0.37 0.08 1.56 -1.06 0.00 0.00 177.43 178.23 1tjs h GLN 118 N 0.29 0.86 0.00 0.81 4.20 -0.44 0.29 115.11 121.12 1tjs h GLN 118 Ca 0.09 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.53 1tjs h GLN 118 Cb 0.12 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1tjs h GLN 118 CO -0.01 0.81 -0.31 -0.07 -0.67 0.00 0.00 178.83 178.58 1tjs h LEU 119 N 0.82 0.00 0.03 1.46 3.38 -0.64 0.53 115.31 120.88 1tjs h LEU 119 Ca 0.17 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.80 1tjs h LEU 119 Cb 0.37 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1tjs h LEU 119 CO 0.01 0.31 -2.06 0.29 0.09 0.00 0.00 178.44 177.07 1tjs n LYS 120 N -3.81 0.68 -0.09 1.13 5.02 -0.96 -4.13 118.16 115.99 1tjs n LYS 120 Ca -0.01 0.19 -0.14 0.00 -2.02 0.00 0.00 58.31 56.32 1tjs n LYS 120 Cb 0.39 -1.66 -0.14 0.00 -0.02 0.00 0.00 35.03 33.60 1tjs n LYS 120 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1tjs n ASN 121 N -3.09 1.14 -3.18 4.39 3.02 0.98 -4.76 115.26 113.75 1tjs n ASN 121 Ca -0.28 0.03 -0.23 0.00 -0.03 0.00 0.00 54.58 54.07 1tjs n ASN 121 Cb 1.07 0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 40.26 1tjs n ASN 121 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1tjs n ASP 122 N -3.08 0.14 0.32 6.41 2.03 0.15 -4.99 116.55 117.54 1tjs n ASP 122 Ca -0.35 -2.72 0.22 0.00 0.52 0.00 0.00 54.79 52.45 1tjs n ASP 122 Cb 1.07 -0.58 1.15 0.00 -0.72 0.00 0.00 41.12 42.04 1tjs n ASP 122 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1tjs h PRO 123 N 3.94 0.00 -0.07 -0.67 0.13 -1.63 -2.30 132.00 131.39 1tjs h PRO 123 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1tjs h PRO 123 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1tjs h PRO 123 CO 0.46 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.98 1tjs n ASP 124 N -2.99 1.85 -4.76 1.44 8.00 -1.26 -3.79 116.55 115.03 1tjs n ASP 124 Ca -0.03 -1.64 -0.39 0.00 0.71 0.00 0.00 54.79 53.43 1tjs n ASP 124 Cb 0.08 -0.04 0.03 0.00 -0.02 0.00 0.00 41.12 41.17 1tjs n ASP 124 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1tjs s SER 125 N -1.87 5.66 -0.02 -2.24 0.15 -0.87 -4.94 113.70 109.57 1tjs s SER 125 Ca 0.35 2.91 0.20 0.00 0.70 0.00 0.00 55.95 60.11 1tjs s SER 125 Cb 0.20 -2.65 0.63 0.00 -1.71 0.00 0.00 66.02 62.49 1tjs s SER 125 CO 0.31 -1.32 1.53 0.54 1.20 0.00 0.00 173.24 175.50 1tjs n ARG 126 N -0.45 2.96 -0.17 5.44 1.74 -1.26 -4.34 116.66 120.57 1tjs n ARG 126 Ca 0.07 -2.65 0.06 0.00 -0.77 0.00 0.00 57.85 54.55 1tjs n ARG 126 Cb 0.42 -1.61 0.14 0.00 -1.02 0.00 0.00 32.46 30.40 1tjs n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1tjs n ARG 127 N 1.40 2.59 -2.45 5.56 1.74 -1.26 -4.90 116.66 119.35 1tjs n ARG 127 Ca 0.23 -2.21 -0.39 0.00 -0.77 0.00 0.00 57.85 54.72 1tjs n ARG 127 Cb 0.66 -1.39 -0.02 0.00 -1.02 0.00 0.00 32.46 30.69 1tjs n ARG 127 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1tjs s ILE 128 N -1.83 3.93 0.06 0.55 1.01 -1.26 -4.91 121.20 118.74 1tjs s ILE 128 Ca 0.24 -1.41 0.06 0.00 0.00 0.00 0.00 60.65 59.53 1tjs s ILE 128 Cb 0.18 -4.98 -0.03 0.00 0.01 0.00 0.00 42.46 37.64 1tjs s ILE 128 CO 0.07 -1.75 -0.16 -0.63 0.00 0.00 0.00 174.94 172.48 1tjs s ILE 129 N 6.03 1.26 -0.06 2.92 1.01 -1.26 -0.54 121.20 130.56 1tjs s ILE 129 Ca 0.56 -1.17 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1tjs s ILE 129 Cb 0.02 -1.15 0.02 0.00 0.01 0.00 0.00 42.46 41.35 1tjs s ILE 129 CO 0.05 -0.03 -0.10 0.54 0.00 0.00 0.00 174.94 175.40 1tjs s VAL 130 N -0.98 0.96 -0.03 2.92 0.11 -0.37 -4.91 120.40 118.08 1tjs s VAL 130 Ca 0.02 -0.37 0.07 0.00 -2.93 0.00 0.00 61.98 58.77 1tjs s VAL 130 Cb -0.09 -0.90 -0.02 0.00 -1.53 0.00 0.00 36.38 33.85 1tjs s VAL 130 CO 0.02 0.32 -0.25 -0.55 -3.33 0.00 0.00 175.10 171.31 1tjs s SER 131 N 0.77 2.94 0.00 3.54 0.15 -1.26 -1.46 113.70 118.37 1tjs s SER 131 Ca -0.13 -0.47 0.14 0.00 0.70 0.00 0.00 55.95 56.19 1tjs s SER 131 Cb -0.15 -0.53 0.13 0.00 -1.71 0.00 0.00 66.02 63.76 1tjs s SER 131 CO 0.02 0.28 0.97 0.00 1.20 0.00 0.00 173.24 175.71 1tjs n ALA 132 N 2.68 2.46 -2.92 5.45 0.00 -0.17 -4.64 120.51 123.37 1tjs n ALA 132 Ca -0.17 -0.65 -0.44 0.00 0.00 0.00 0.00 53.44 52.18 1tjs n ALA 132 Cb 0.52 -0.47 -0.00 0.00 0.00 0.00 0.00 19.45 19.49 1tjs n ALA 132 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1tjs s TRP 133 N -1.14 3.42 -0.57 0.00 -0.11 -1.21 -4.79 118.94 114.53 1tjs s TRP 133 Ca 0.17 -2.04 -0.18 0.00 1.22 0.00 0.00 56.10 55.27 1tjs s TRP 133 Cb 0.12 -4.34 0.11 0.00 -1.50 0.00 0.00 33.47 27.86 1tjs s TRP 133 CO 0.18 -1.43 0.63 1.21 -4.62 0.00 0.00 176.95 172.92 1tjs s ASN 134 N 2.99 6.18 0.39 5.86 3.04 -1.26 -4.94 114.94 127.21 1tjs s ASN 134 Ca 0.43 -1.55 0.15 0.00 0.04 0.00 0.00 52.86 51.92 1tjs s ASN 134 Cb -0.03 -2.27 1.00 0.00 -1.54 0.00 0.00 41.25 38.42 1tjs s ASN 134 CO -0.00 -1.03 1.85 0.58 -3.04 0.00 0.00 177.10 175.46 1tjs h VAL 135 N 5.91 0.70 0.00 -5.21 2.07 -2.01 -1.63 116.25 116.09 1tjs h VAL 135 Ca -0.30 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1tjs h VAL 135 Cb 1.09 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1tjs h VAL 135 CO 1.08 0.09 0.00 0.61 0.02 0.00 0.00 177.57 179.37 1tjs n GLY 136 N -1.48 -1.43 0.18 2.17 0.00 -1.26 -3.37 105.19 99.99 1tjs n GLY 136 Ca 0.20 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.20 1tjs n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tjs n GLU 137 N -1.86 1.66 -0.34 1.61 1.02 -0.64 -4.72 120.64 117.37 1tjs n GLU 137 Ca 0.05 -1.31 -0.01 0.00 -0.02 0.00 0.00 57.16 55.87 1tjs n GLU 137 Cb 0.32 -1.08 0.12 0.00 -0.02 0.00 0.00 31.44 30.77 1tjs n GLU 137 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1tjs h LEU 138 N 0.64 0.99 -1.68 -4.62 5.85 -1.50 -2.02 115.31 112.98 1tjs h LEU 138 Ca 0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1tjs h LEU 138 Cb 0.41 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1tjs h LEU 138 CO 0.00 0.69 -0.14 0.44 -0.34 0.00 0.00 178.44 179.09 1tjs h ASP 139 N 1.16 0.00 0.66 1.25 3.32 -1.84 -2.91 116.42 118.06 1tjs h ASP 139 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1tjs h ASP 139 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1tjs h ASP 139 CO -0.11 0.14 -0.52 0.29 -1.72 0.00 0.00 179.24 177.33 1tjs n LYS 140 N -3.51 0.11 -2.80 3.56 5.02 -0.77 -4.92 118.16 114.85 1tjs n LYS 140 Ca -0.01 0.03 -0.35 0.00 -2.02 0.00 0.00 58.31 55.96 1tjs n LYS 140 Cb 0.30 -1.57 -0.07 0.00 -0.02 0.00 0.00 35.03 33.67 1tjs n LYS 140 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1tjs s MET 141 N -3.06 4.38 0.37 1.97 -1.94 -1.10 -4.31 119.30 115.61 1tjs s MET 141 Ca 0.09 1.22 0.07 0.00 -1.71 0.00 0.00 55.69 55.36 1tjs s MET 141 Cb 0.16 -2.46 0.77 0.00 2.01 0.00 0.00 34.83 35.32 1tjs s MET 141 CO 0.70 0.10 1.97 0.00 -0.01 0.00 0.00 175.02 177.78 1tjs h ALA 142 N 2.47 1.73 -2.12 3.03 0.00 -0.99 -3.43 119.26 119.95 1tjs h ALA 142 Ca -0.48 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1tjs h ALA 142 Cb 1.19 -0.18 -0.20 0.00 0.00 0.00 0.00 17.79 18.59 1tjs h ALA 142 CO 0.63 0.17 0.08 -0.48 0.00 0.00 0.00 179.25 179.65 1tjs s LEU 143 N -9.65 -0.43 0.52 0.00 0.05 -1.26 -5.09 118.68 102.81 1tjs s LEU 143 Ca -0.09 0.90 -0.22 0.00 0.05 0.00 0.00 54.13 54.76 1tjs s LEU 143 Cb 0.19 2.28 -0.06 0.00 -2.05 0.00 0.00 46.19 46.55 1tjs s LEU 143 CO 0.77 -0.43 1.29 0.00 -0.55 0.00 0.00 176.35 177.43 1tjs s ALA 144 N -0.57 2.88 0.21 1.48 0.00 -1.26 -4.92 121.76 119.57 1tjs s ALA 144 Ca -0.07 1.20 -0.32 0.00 0.00 0.00 0.00 51.96 52.77 1tjs s ALA 144 Cb -0.02 -3.51 -0.12 0.00 0.00 0.00 0.00 23.12 19.47 1tjs s ALA 144 CO 0.06 -1.13 1.72 -2.30 0.00 0.00 0.00 175.76 174.11 1tjs n PRO 145 N -0.83 2.75 -0.07 0.00 -0.02 -1.26 -4.93 135.00 130.65 1tjs n PRO 145 Ca 0.09 0.99 -0.11 0.00 -2.02 0.00 0.00 63.50 62.45 1tjs n PRO 145 Cb 0.46 -2.84 -0.10 0.00 -0.02 0.00 0.00 33.50 31.00 1tjs n PRO 145 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tjs s HIS 147 N -2.10 3.45 -0.26 0.00 0.00 -1.26 -1.52 115.29 113.60 1tjs s HIS 147 Ca -0.16 -1.67 0.22 0.00 -3.00 0.00 0.00 55.06 50.46 1tjs s HIS 147 Cb -0.02 -4.01 0.05 0.00 -4.00 0.00 0.00 32.58 24.61 1tjs s HIS 147 CO 0.55 -1.20 1.14 0.00 -1.00 0.00 0.00 174.74 174.23 1tjs h ALA 148 N 8.31 0.61 -2.53 -1.38 0.00 -1.68 -3.45 119.26 119.15 1tjs h ALA 148 Ca 0.08 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1tjs h ALA 148 Cb 1.04 0.02 -0.25 0.00 0.00 0.00 0.00 17.79 18.60 1tjs h ALA 148 CO 0.92 0.10 -0.22 0.12 0.00 0.00 0.00 179.25 180.18 1tjs s PHE 149 N -3.28 -0.66 -0.04 0.00 2.19 -1.22 -1.00 117.98 113.97 1tjs s PHE 149 Ca 0.01 1.42 -0.04 0.00 0.33 0.00 0.00 56.93 58.65 1tjs s PHE 149 Cb 0.09 0.30 0.01 0.00 -1.31 0.00 0.00 43.02 42.11 1tjs s PHE 149 CO 0.77 -0.35 0.11 -0.59 1.83 0.00 0.00 175.22 176.99 1tjs s PHE 150 N 1.16 -0.12 -0.02 10.12 -0.71 -0.54 -0.47 117.98 127.41 1tjs s PHE 150 Ca -0.07 0.30 0.08 0.00 -1.04 0.00 0.00 56.93 56.19 1tjs s PHE 150 Cb -0.07 0.04 -0.02 0.00 -1.21 0.00 0.00 43.02 41.76 1tjs s PHE 150 CO -0.11 -0.06 -0.24 -1.14 -1.34 0.00 0.00 175.22 172.33 1tjs s GLN 151 N 0.10 2.13 0.17 1.99 0.74 -0.23 -1.24 119.66 123.31 1tjs s GLN 151 Ca -0.00 -0.92 0.04 0.00 0.05 0.00 0.00 55.36 54.52 1tjs s GLN 151 Cb -0.01 -2.08 -0.04 0.00 1.10 0.00 0.00 33.01 31.98 1tjs s GLN 151 CO -0.00 0.56 0.25 -0.06 -0.55 0.00 0.00 175.29 175.49 1tjs s PHE 152 N -0.65 3.38 -0.16 1.67 0.08 0.30 -0.82 117.98 121.78 1tjs s PHE 152 Ca 0.10 0.05 -0.10 0.00 0.12 0.00 0.00 56.93 57.11 1tjs s PHE 152 Cb -0.10 -1.60 0.05 0.00 -0.57 0.00 0.00 43.02 40.80 1tjs s PHE 152 CO -0.00 0.51 0.39 -0.47 -0.10 0.00 0.00 175.22 175.54 1tjs s TYR 153 N -1.79 -0.52 -0.10 0.36 6.14 -0.56 -4.57 117.35 116.31 1tjs s TYR 153 Ca 0.33 1.17 0.02 0.00 0.64 0.00 0.00 57.07 59.23 1tjs s TYR 153 Cb -0.10 0.21 -0.01 0.00 0.42 0.00 0.00 41.96 42.47 1tjs s TYR 153 CO 0.27 -0.29 -0.17 0.08 0.64 0.00 0.00 175.55 176.08 1tjs s VAL 154 N 1.02 2.74 -0.27 3.14 1.01 -1.25 -0.22 120.40 126.57 1tjs s VAL 154 Ca -0.07 -0.79 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 1tjs s VAL 154 Cb -0.07 -2.10 0.08 0.00 0.00 0.00 0.00 36.38 34.29 1tjs s VAL 154 CO -0.08 0.55 0.66 0.00 0.00 0.00 0.00 175.10 176.22 1tjs s ALA 155 N 0.09 -1.80 -1.47 5.51 0.00 -0.76 -4.75 121.76 118.58 1tjs s ALA 155 Ca -0.08 2.33 -0.08 0.00 0.00 0.00 0.00 51.96 54.14 1tjs s ALA 155 Cb -0.15 -1.40 0.03 0.00 0.00 0.00 0.00 23.12 21.60 1tjs s ALA 155 CO 0.05 -0.41 0.79 -0.25 0.00 0.00 0.00 175.76 175.94 1tjs n ASP 156 N 4.40 -5.64 -0.70 0.00 8.00 -1.26 -1.05 116.55 120.30 1tjs n ASP 156 Ca -0.20 -0.44 -0.09 0.00 0.71 0.00 0.00 54.79 54.77 1tjs n ASP 156 Cb 0.58 -4.52 -0.04 0.00 -0.02 0.00 0.00 41.12 37.12 1tjs n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tjs n GLY 157 N -1.62 1.07 3.25 0.44 0.00 -1.26 -4.99 105.19 102.08 1tjs n GLY 157 Ca -0.04 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 1tjs n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tjs s LYS 158 N -2.63 3.03 -0.35 1.61 1.02 -0.21 -1.08 119.74 121.13 1tjs s LYS 158 Ca 0.00 -0.85 -0.16 0.00 0.02 0.00 0.00 55.97 54.97 1tjs s LYS 158 Cb 0.00 -2.33 -0.01 0.00 -0.52 0.00 0.00 37.83 34.97 1tjs s LYS 158 CO 0.00 0.21 0.42 -1.17 -0.92 0.00 0.00 175.35 173.90 1tjs s LEU 159 N 0.27 4.42 0.34 3.17 2.96 0.32 -1.82 118.68 128.34 1tjs s LEU 159 Ca -0.16 -0.17 0.08 0.00 -0.22 0.00 0.00 54.13 53.66 1tjs s LEU 159 Cb -0.17 -2.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.05 1tjs s LEU 159 CO 0.08 -0.40 0.25 -0.44 -1.32 0.00 0.00 176.35 174.51 1tjs s SER 160 N 1.75 5.06 -0.18 3.68 0.01 0.70 0.03 113.70 124.75 1tjs s SER 160 Ca 0.14 -0.61 -0.14 0.00 1.31 0.00 0.00 55.95 56.66 1tjs s SER 160 Cb -0.16 -0.86 0.05 0.00 0.21 0.00 0.00 66.02 65.26 1tjs s SER 160 CO 0.12 -0.36 0.45 0.00 0.41 0.00 0.00 173.24 173.87 1tjs s GLN 162 N 0.68 3.07 -0.10 0.00 0.74 0.00 -0.30 119.66 123.75 1tjs s GLN 162 Ca -0.04 -0.84 0.01 0.00 0.05 0.00 0.00 55.36 54.55 1tjs s GLN 162 Cb -0.05 -2.36 -0.02 0.00 1.10 0.00 0.00 33.01 31.68 1tjs s GLN 162 CO -0.05 0.21 -0.12 -1.17 -0.55 0.00 0.00 175.29 173.62 1tjs s LEU 163 N 0.28 2.84 -0.28 3.68 1.98 -0.48 -1.07 118.68 125.63 1tjs s LEU 163 Ca -0.15 -0.22 -0.08 0.00 -2.89 0.00 0.00 54.13 50.79 1tjs s LEU 163 Cb -0.17 -1.62 -0.01 0.00 0.66 0.00 0.00 46.19 45.05 1tjs s LEU 163 CO 0.08 0.25 0.09 -0.47 -1.89 0.00 0.00 176.35 174.41 1tjs s TYR 164 N -0.18 3.12 -0.34 5.38 5.04 0.38 -0.53 117.35 130.22 1tjs s TYR 164 Ca 0.01 -0.69 -0.05 0.00 -2.44 0.00 0.00 57.07 53.89 1tjs s TYR 164 Cb -0.13 -2.27 0.05 0.00 0.35 0.00 0.00 41.96 39.96 1tjs s TYR 164 CO 0.03 -0.47 0.10 -1.14 -1.34 0.00 0.00 175.55 172.73 1tjs s GLN 165 N 1.57 2.53 0.24 4.97 0.74 0.19 -2.65 119.66 127.25 1tjs s GLN 165 Ca 0.05 -1.27 -0.05 0.00 0.05 0.00 0.00 55.36 54.13 1tjs s GLN 165 Cb -0.16 -3.44 0.27 0.00 1.10 0.00 0.00 33.01 30.77 1tjs s GLN 165 CO 0.03 -0.71 1.83 0.07 -0.55 0.00 0.00 175.29 175.96 1tjs h ARG 166 N 8.18 1.10 -4.19 1.67 0.11 -1.56 0.52 114.38 120.20 1tjs h ARG 166 Ca -0.22 -0.18 -0.30 0.00 0.10 0.00 0.00 59.98 59.38 1tjs h ARG 166 Cb 1.07 -0.19 -0.28 0.00 1.11 0.00 0.00 29.97 31.68 1tjs h ARG 166 CO 0.61 0.88 -0.75 0.45 0.10 0.00 0.00 179.97 181.26 1tjs s SER 167 N -6.39 0.49 -0.11 0.08 0.15 -1.26 -1.37 113.70 105.28 1tjs s SER 167 Ca -0.12 -0.09 -0.05 0.00 0.70 0.00 0.00 55.95 56.40 1tjs s SER 167 Cb 0.16 -0.05 0.05 0.00 -1.71 0.00 0.00 66.02 64.47 1tjs s SER 167 CO 0.82 0.04 0.25 0.00 1.20 0.00 0.00 173.24 175.55 1tjs s ASP 169 N 1.82 6.26 0.24 0.00 -1.08 -1.26 -0.70 116.67 121.94 1tjs s ASP 169 Ca -0.04 -0.72 -0.07 0.00 -0.52 0.00 0.00 52.55 51.20 1tjs s ASP 169 Cb -0.11 -2.34 0.24 0.00 -1.46 0.00 0.00 42.92 39.25 1tjs s ASP 169 CO -0.08 -1.00 1.90 0.58 0.52 0.00 0.00 175.17 177.09 1tjs h VAL 170 N 5.91 1.21 0.03 1.11 2.07 -1.41 -0.05 116.25 125.13 1tjs h VAL 170 Ca -0.27 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1tjs h VAL 170 Cb 1.09 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1tjs h VAL 170 CO 1.01 0.22 -0.02 0.15 0.02 0.00 0.00 177.57 178.95 1tjs h PHE 171 N 1.19 -0.04 0.09 1.57 3.04 -1.92 -3.36 116.94 117.50 1tjs h PHE 171 Ca 0.34 -0.00 -0.24 0.00 3.98 0.00 0.00 57.97 62.05 1tjs h PHE 171 Cb -0.10 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 1tjs h PHE 171 CO -0.01 0.63 -1.24 1.25 -2.02 0.00 0.00 178.31 176.93 1tjs h LEU 172 N -0.88 0.29 0.00 0.59 5.85 -1.96 -3.43 115.31 115.76 1tjs h LEU 172 Ca -0.00 -0.82 -0.08 0.00 0.84 0.00 0.00 57.88 57.82 1tjs h LEU 172 Cb 0.70 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1tjs h LEU 172 CO 0.01 1.53 -0.49 1.23 -0.34 0.00 0.00 178.44 180.38 1tjs h GLY 173 N -0.20 0.00 -0.55 3.75 0.00 -1.31 -3.42 103.07 101.34 1tjs h GLY 173 Ca -0.28 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.20 1tjs h GLY 173 CO 0.01 0.00 -0.24 -2.00 0.00 0.00 0.00 176.54 174.31 1tjs h LEU 174 N -1.00 -0.89 -1.17 3.11 5.85 -1.32 -1.62 115.31 118.28 1tjs h LEU 174 Ca -0.12 0.24 0.09 0.00 0.84 0.00 0.00 57.88 58.93 1tjs h LEU 174 Cb 0.92 0.53 -0.07 0.00 0.37 0.00 0.00 40.66 42.41 1tjs h LEU 174 CO -0.07 -0.27 0.59 -0.65 -0.34 0.00 0.00 178.44 177.69 1tjs h PRO 175 N -0.04 0.89 -0.46 5.25 0.11 -1.82 -0.00 132.00 135.94 1tjs h PRO 175 Ca 0.34 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.25 1tjs h PRO 175 Cb 0.56 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1tjs h PRO 175 CO -0.78 0.59 -0.26 0.35 -0.21 0.00 0.00 178.00 177.69 1tjs h PHE 176 N 0.92 1.14 0.00 0.65 3.04 -1.59 -3.06 116.94 118.04 1tjs h PHE 176 Ca 0.42 -0.29 -0.13 0.00 3.98 0.00 0.00 57.97 61.94 1tjs h PHE 176 Cb 0.38 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.61 1tjs h PHE 176 CO -0.00 1.12 -0.64 -0.91 -2.02 0.00 0.00 178.31 175.86 1tjs h ASN 177 N 0.84 0.00 -0.08 0.41 2.35 -0.30 -2.70 115.58 116.09 1tjs h ASN 177 Ca 0.10 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 1tjs h ASN 177 Cb 0.84 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.21 1tjs h ASN 177 CO 0.07 0.64 -0.09 0.40 -1.65 0.00 0.00 177.43 176.81 1tjs h ILE 178 N 0.00 1.37 -0.71 2.81 2.04 -1.08 -2.92 117.51 119.01 1tjs h ILE 178 Ca -0.01 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 1tjs h ILE 178 Cb 1.31 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 39.37 1tjs h ILE 178 CO 0.08 0.35 0.42 0.00 0.00 0.00 0.00 178.15 179.00 1tjs h ALA 179 N 0.56 0.91 -0.62 1.87 0.00 -1.59 -1.01 119.26 119.39 1tjs h ALA 179 Ca 0.01 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1tjs h ALA 179 Cb 0.61 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1tjs h ALA 179 CO 0.02 0.39 0.39 1.03 0.00 0.00 0.00 179.25 181.08 1tjs h SER 180 N 0.97 0.65 1.05 0.00 0.87 -1.50 -0.68 113.55 114.92 1tjs h SER 180 Ca 0.25 -0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.64 1tjs h SER 180 Cb -0.01 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 1tjs h SER 180 CO -0.05 0.46 -0.79 1.88 -0.53 0.00 0.00 176.83 177.80 1tjs h TYR 181 N 0.78 0.00 -0.42 2.24 0.05 -1.31 -2.72 116.97 115.58 1tjs h TYR 181 Ca 0.24 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.96 1tjs h TYR 181 Cb -0.02 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 1tjs h TYR 181 CO -0.05 0.79 0.03 0.00 -1.05 0.00 0.00 178.16 177.89 1tjs h ALA 182 N 1.21 0.56 -0.65 3.88 0.00 -0.91 -1.85 119.26 121.51 1tjs h ALA 182 Ca -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1tjs h ALA 182 Cb 1.53 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1tjs h ALA 182 CO 0.10 0.32 0.32 1.25 0.00 0.00 0.00 179.25 181.24 1tjs h LEU 183 N 0.57 0.82 -0.83 0.00 5.85 -1.12 -2.34 115.31 118.25 1tjs h LEU 183 Ca 0.12 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.65 1tjs h LEU 183 Cb 0.43 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1tjs h LEU 183 CO 0.02 0.69 -0.37 0.25 -0.34 0.00 0.00 178.44 178.68 1tjs h LEU 184 N 0.91 0.44 -0.57 2.25 7.12 -1.14 -2.38 115.31 121.95 1tjs h LEU 184 Ca 0.23 -0.18 -0.11 0.00 0.13 0.00 0.00 57.88 57.94 1tjs h LEU 184 Cb 0.08 -0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 40.07 1tjs h LEU 184 CO -0.03 0.78 -0.08 0.58 -0.13 0.00 0.00 178.44 179.56 1tjs h VAL 185 N 0.36 1.27 -0.23 1.05 2.07 -0.83 -1.11 116.25 118.81 1tjs h VAL 185 Ca 0.04 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 1tjs h VAL 185 Cb 0.82 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1tjs h VAL 185 CO 0.07 0.45 0.09 0.45 0.02 0.00 0.00 177.57 178.65 1tjs h HIS 186 N 0.94 0.35 -0.26 1.57 3.86 -1.29 0.47 115.15 120.80 1tjs h HIS 186 Ca 0.15 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1tjs h HIS 186 Cb 0.66 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 1tjs h HIS 186 CO 0.05 0.38 0.15 0.52 0.86 0.00 0.00 177.93 179.89 1tjs h MET 187 N 0.23 0.36 -0.31 2.45 2.86 -1.30 -0.31 114.93 118.91 1tjs h MET 187 Ca 0.08 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.71 1tjs h MET 187 Cb 0.17 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1tjs h MET 187 CO -0.01 0.30 0.12 0.52 1.06 0.00 0.00 176.91 178.90 1tjs h MET 188 N 0.33 0.25 -0.25 1.72 2.86 -1.06 -1.75 114.93 117.03 1tjs h MET 188 Ca 0.09 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1tjs h MET 188 Cb 0.03 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1tjs h MET 188 CO -0.02 0.17 0.15 0.00 1.06 0.00 0.00 176.91 178.27 1tjs h ALA 189 N 1.19 0.32 -0.76 6.32 0.00 -0.68 -2.06 119.26 123.59 1tjs h ALA 189 Ca 0.14 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1tjs h ALA 189 Cb 0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1tjs h ALA 189 CO -0.13 -0.18 0.49 0.37 0.00 0.00 0.00 179.25 179.80 1tjs h GLN 190 N 0.31 0.94 0.00 0.00 4.15 -0.87 -0.43 115.11 119.23 1tjs h GLN 190 Ca 0.09 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.40 1tjs h GLN 190 Cb 0.01 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.48 1tjs h GLN 190 CO -0.02 0.62 -0.25 0.37 -1.93 0.00 0.00 178.83 177.62 1tjs h GLN 191 N 0.97 0.00 -0.44 1.69 5.75 -1.12 -3.08 115.11 118.89 1tjs h GLN 191 Ca 0.29 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.79 1tjs h GLN 191 Cb -0.04 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.51 1tjs h GLN 191 CO -0.09 0.25 0.00 0.00 -2.65 0.00 0.00 178.83 176.34 1tjs n ASP 193 N 1.10 -3.82 -4.33 0.00 8.00 -0.33 -4.96 116.55 112.19 1tjs n ASP 193 Ca 0.17 -0.59 -0.23 0.00 0.71 0.00 0.00 54.79 54.85 1tjs n ASP 193 Cb 0.51 -5.05 -0.11 0.00 -0.02 0.00 0.00 41.12 36.44 1tjs n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1tjs s LEU 194 N -6.77 2.41 0.43 0.64 1.43 -0.32 -5.05 118.68 111.46 1tjs s LEU 194 Ca 0.25 -0.83 -0.13 0.00 -1.03 0.00 0.00 54.13 52.39 1tjs s LEU 194 Cb -0.11 -0.87 -0.07 0.00 0.03 0.00 0.00 46.19 45.17 1tjs s LEU 194 CO 0.73 -0.00 0.83 -1.61 0.23 0.00 0.00 176.35 176.52 1tjs s GLU 195 N -2.64 3.85 0.34 1.70 0.41 -0.24 -4.28 118.70 117.85 1tjs s GLU 195 Ca 0.15 0.62 -0.26 0.00 -0.41 0.00 0.00 54.97 55.07 1tjs s GLU 195 Cb -0.07 -2.32 -0.09 0.00 -1.78 0.00 0.00 34.13 29.87 1tjs s GLU 195 CO 0.06 -0.08 1.02 0.14 -0.49 0.00 0.00 175.26 175.91 1tjs s VAL 196 N -2.40 3.86 0.00 2.63 -7.23 -1.26 -0.52 120.40 115.48 1tjs s VAL 196 Ca 0.54 1.57 0.00 0.00 -1.81 0.00 0.00 61.98 62.27 1tjs s VAL 196 Cb -0.10 -3.88 0.00 0.00 0.56 0.00 0.00 36.38 32.96 1tjs s VAL 196 CO 0.30 0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.84 1tjs n GLY 197 N 0.64 1.38 3.80 2.32 0.00 0.10 -4.59 105.19 108.85 1tjs n GLY 197 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1tjs n GLY 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tjs s ASP 198 N 0.40 5.47 -0.24 1.61 1.01 -1.25 -1.42 116.67 122.25 1tjs s ASP 198 Ca 0.00 -0.21 0.02 0.00 0.71 0.00 0.00 52.55 53.07 1tjs s ASP 198 Cb 0.00 -1.40 0.06 0.00 1.01 0.00 0.00 42.92 42.59 1tjs s ASP 198 CO 0.00 0.02 -0.09 0.12 0.21 0.00 0.00 175.17 175.43 1tjs s PHE 199 N -1.94 2.81 -0.23 4.23 5.36 -0.13 -1.07 117.98 127.01 1tjs s PHE 199 Ca 0.32 -2.01 -0.10 0.00 -0.96 0.00 0.00 56.93 54.18 1tjs s PHE 199 Cb -0.09 -1.75 -0.05 0.00 -0.34 0.00 0.00 43.02 40.79 1tjs s PHE 199 CO 0.24 -0.82 0.14 0.08 -1.46 0.00 0.00 175.22 173.40 1tjs s VAL 200 N 1.26 5.24 -0.22 3.12 1.01 0.58 -1.23 120.40 130.17 1tjs s VAL 200 Ca -0.07 0.14 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 1tjs s VAL 200 Cb -0.19 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1tjs s VAL 200 CO -0.06 0.36 0.08 0.86 0.00 0.00 0.00 175.10 176.34 1tjs s TRP 201 N 0.96 3.18 -0.13 5.22 -0.00 0.18 -1.38 118.94 126.97 1tjs s TRP 201 Ca 0.07 -0.10 0.01 0.00 -0.00 0.00 0.00 56.10 56.08 1tjs s TRP 201 Cb -0.13 -2.17 0.02 0.00 -0.00 0.00 0.00 33.47 31.18 1tjs s TRP 201 CO 0.04 -0.07 -0.16 0.99 -0.00 0.00 0.00 176.95 177.74 1tjs s THR 202 N 0.98 1.62 0.26 5.86 2.01 0.31 -1.20 115.64 125.47 1tjs s THR 202 Ca 0.04 -0.69 0.12 0.00 0.31 0.00 0.00 61.69 61.47 1tjs s THR 202 Cb -0.14 -1.48 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 1tjs s THR 202 CO 0.03 0.46 -0.19 -0.83 -0.69 0.00 0.00 174.62 173.40 1tjs s GLY 203 N 1.14 1.83 0.00 4.40 0.00 -0.36 0.53 107.32 114.86 1tjs s GLY 203 Ca -0.02 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 42.89 1tjs s GLY 203 CO -0.05 -1.88 0.00 0.61 0.00 0.00 0.00 173.10 171.78 1tjs n GLY 204 N -0.44 0.13 3.55 0.20 0.00 0.18 -2.29 105.19 106.52 1tjs n GLY 204 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 1tjs n GLY 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tjs s ASP 205 N -1.00 6.00 -0.29 1.61 -1.08 -0.47 -1.17 116.67 120.26 1tjs s ASP 205 Ca 0.00 -0.54 -0.11 0.00 -0.52 0.00 0.00 52.55 51.38 1tjs s ASP 205 Cb 0.00 -2.56 -0.03 0.00 -1.46 0.00 0.00 42.92 38.87 1tjs s ASP 205 CO 0.00 -1.93 0.18 -0.89 0.52 0.00 0.00 175.17 173.05 1tjs s THR 206 N 6.50 5.08 0.20 1.71 2.01 -0.47 -0.93 115.64 129.74 1tjs s THR 206 Ca 0.46 -0.04 -0.00 0.00 0.31 0.00 0.00 61.69 62.41 1tjs s THR 206 Cb -0.07 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1tjs s THR 206 CO 0.09 0.18 0.10 -1.38 -0.69 0.00 0.00 174.62 172.92 1tjs s HIS 207 N 1.71 1.23 -0.06 4.92 -3.43 0.12 -1.80 115.29 117.99 1tjs s HIS 207 Ca 0.06 -1.28 0.03 0.00 -0.80 0.00 0.00 55.06 53.08 1tjs s HIS 207 Cb -0.16 -0.65 0.01 0.00 -1.43 0.00 0.00 32.58 30.34 1tjs s HIS 207 CO 0.09 -0.51 -0.15 -0.51 -2.00 0.00 0.00 174.74 171.67 1tjs s LEU 208 N -3.19 1.78 0.25 5.38 1.43 -0.86 -0.90 118.68 122.58 1tjs s LEU 208 Ca 0.35 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 52.83 1tjs s LEU 208 Cb 0.07 -0.91 -0.09 0.00 0.03 0.00 0.00 46.19 45.29 1tjs s LEU 208 CO 0.10 0.09 1.09 -0.31 0.23 0.00 0.00 176.35 177.55 1tjs s TYR 209 N 0.40 3.60 0.29 0.29 2.02 -1.26 -1.23 117.35 121.47 1tjs s TYR 209 Ca -0.11 1.68 0.04 0.00 -0.37 0.00 0.00 57.07 58.31 1tjs s TYR 209 Cb -0.14 -3.27 0.67 0.00 -0.40 0.00 0.00 41.96 38.82 1tjs s TYR 209 CO 0.04 -0.52 1.78 0.66 -1.57 0.00 0.00 175.55 175.93 1tjs h SER 210 N 4.20 0.73 -0.04 2.29 4.64 -1.75 -0.71 113.55 122.90 1tjs h SER 210 Ca -0.46 0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 60.93 1tjs h SER 210 Cb 1.21 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1tjs h SER 210 CO 0.69 0.28 0.03 -0.46 -0.87 0.00 0.00 176.83 176.49 1tjs n ASN 211 N -4.78 2.83 0.00 4.97 6.94 -1.26 -2.72 115.26 121.24 1tjs n ASN 211 Ca 0.21 -2.07 0.00 0.00 -0.02 0.00 0.00 54.58 52.70 1tjs n ASN 211 Cb 0.52 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1tjs n ASN 211 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1tjs n HIS 212 N 0.38 0.00 -0.33 -2.53 8.25 -0.27 -4.75 115.22 115.97 1tjs n HIS 212 Ca 0.03 -0.11 0.01 0.00 -0.26 0.00 0.00 57.72 57.39 1tjs n HIS 212 Cb 0.52 -0.01 0.15 0.00 1.12 0.00 0.00 29.99 31.78 1tjs n HIS 212 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1tjs h MET 213 N 0.00 1.01 -0.37 -0.41 2.86 -1.64 -0.99 114.93 115.39 1tjs h MET 213 Ca 0.00 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1tjs h MET 213 Cb 0.39 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1tjs h MET 213 CO 0.00 0.67 0.17 -0.44 1.06 0.00 0.00 176.91 178.36 1tjs h ASP 214 N 1.04 0.49 -0.62 1.22 3.32 -1.89 -1.79 116.42 118.19 1tjs h ASP 214 Ca 0.39 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 1tjs h ASP 214 Cb 0.17 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1tjs h ASP 214 CO -0.17 0.49 0.13 1.56 -1.72 0.00 0.00 179.24 179.53 1tjs h GLN 215 N 0.45 1.00 -0.47 3.56 7.50 -1.84 -0.95 115.11 124.37 1tjs h GLN 215 Ca 0.13 -0.25 -0.08 0.00 0.50 0.00 0.00 58.65 58.95 1tjs h GLN 215 Cb 0.14 -0.13 -0.02 0.00 0.05 0.00 0.00 27.48 27.53 1tjs h GLN 215 CO -0.01 0.92 -0.02 1.79 -1.50 0.00 0.00 178.83 180.00 1tjs h THR 216 N 0.91 1.26 -0.30 -0.54 1.35 -1.11 -0.30 112.91 114.18 1tjs h THR 216 Ca 0.19 -1.10 -0.04 0.00 -0.55 0.00 0.00 66.41 64.91 1tjs h THR 216 Cb 0.38 1.04 -0.02 0.00 -1.73 0.00 0.00 68.15 67.82 1tjs h THR 216 CO 0.01 0.38 0.01 0.45 -0.25 0.00 0.00 175.52 176.12 1tjs h HIS 217 N 0.69 0.46 -0.15 4.73 3.86 -1.14 0.34 115.15 123.95 1tjs h HIS 217 Ca 0.13 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 1tjs h HIS 217 Cb 0.54 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.87 1tjs h HIS 217 CO 0.04 0.46 -0.06 1.25 0.86 0.00 0.00 177.93 180.48 1tjs h LEU 218 N 0.44 0.32 -0.62 2.43 6.46 -0.77 -3.00 115.31 120.56 1tjs h LEU 218 Ca 0.10 -0.39 -0.10 0.00 -0.12 0.00 0.00 57.88 57.37 1tjs h LEU 218 Cb 0.28 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 1tjs h LEU 218 CO 0.01 0.64 0.02 -0.61 -0.62 0.00 0.00 178.44 177.87 1tjs h GLN 219 N -0.01 1.09 0.00 1.25 4.15 -0.45 -2.54 115.11 118.60 1tjs h GLN 219 Ca 0.04 -0.34 0.00 0.00 0.77 0.00 0.00 58.65 59.12 1tjs h GLN 219 Cb 0.51 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.10 1tjs h GLN 219 CO 0.02 1.05 0.00 1.28 -1.93 0.00 0.00 178.83 179.25 1tjs n LEU 220 N -4.19 0.51 0.08 -2.39 4.32 0.11 -1.66 117.00 113.79 1tjs n LEU 220 Ca 0.03 0.71 -0.13 0.00 -0.02 0.00 0.00 56.01 56.60 1tjs n LEU 220 Cb 0.34 -0.73 -0.13 0.00 -1.62 0.00 0.00 43.42 41.27 1tjs n LEU 220 CO 0.44 -0.80 -0.03 0.28 -1.22 0.00 0.00 177.39 176.06 1tjs h SER 221 N 0.00 0.26 -4.08 -1.43 0.02 -1.31 -3.47 113.55 103.54 1tjs h SER 221 Ca 0.00 -0.29 -0.49 0.00 -0.84 0.00 0.00 61.79 60.17 1tjs h SER 221 Cb 0.09 -0.08 0.06 0.00 0.14 0.00 0.00 62.40 62.60 1tjs h SER 221 CO 0.00 1.23 0.42 -0.13 -1.14 0.00 0.00 176.83 177.21 1tjs s ARG 222 N -2.67 3.48 -0.23 3.45 3.00 -0.66 -5.04 118.95 120.28 1tjs s ARG 222 Ca -0.03 1.54 -0.12 0.00 0.00 0.00 0.00 55.73 57.12 1tjs s ARG 222 Cb 0.08 -2.03 -0.05 0.00 0.00 0.00 0.00 34.95 32.95 1tjs s ARG 222 CO 0.86 -0.73 0.21 -1.21 0.00 0.00 0.00 175.30 174.43 1tjs s GLU 223 N -3.28 4.09 0.46 3.54 0.41 -1.26 -5.04 118.70 117.62 1tjs s GLU 223 Ca 0.71 -0.17 -0.23 0.00 -0.41 0.00 0.00 54.97 54.87 1tjs s GLU 223 Cb -0.22 -3.54 -0.09 0.00 -1.78 0.00 0.00 34.13 28.50 1tjs s GLU 223 CO 0.25 0.03 1.02 -0.35 -0.49 0.00 0.00 175.26 175.72 1tjs n PRO 224 N 4.35 1.31 -4.11 0.39 -0.04 -1.26 -4.86 135.00 130.77 1tjs n PRO 224 Ca -0.14 0.47 -0.22 0.00 -0.04 0.00 0.00 63.50 63.58 1tjs n PRO 224 Cb 0.52 -2.10 -0.05 0.00 -0.04 0.00 0.00 33.50 31.82 1tjs n PRO 224 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1tjs s ARG 225 N -2.20 2.68 0.30 0.54 1.81 -1.26 -5.05 118.95 115.76 1tjs s ARG 225 Ca 0.66 -1.23 -0.28 0.00 -1.72 0.00 0.00 55.73 53.15 1tjs s ARG 225 Cb -0.52 -2.41 -0.14 0.00 -0.45 0.00 0.00 34.95 31.44 1tjs s ARG 225 CO 0.55 0.32 1.05 -0.35 -0.68 0.00 0.00 175.30 176.18 1tjs n PRO 226 N -1.13 1.45 -2.34 3.54 -0.04 -1.26 -4.86 135.00 130.36 1tjs n PRO 226 Ca -0.06 0.51 -0.40 0.00 -0.04 0.00 0.00 63.50 63.51 1tjs n PRO 226 Cb 0.59 -1.91 -0.03 0.00 -0.04 0.00 0.00 33.50 32.11 1tjs n PRO 226 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1tjs s LEU 227 N 0.26 4.47 1.12 1.53 1.43 -1.26 -4.75 118.68 121.48 1tjs s LEU 227 Ca 0.58 2.41 -0.18 0.00 -1.03 0.00 0.00 54.13 55.92 1tjs s LEU 227 Cb -0.68 -3.69 0.25 0.00 0.03 0.00 0.00 46.19 42.10 1tjs s LEU 227 CO 0.60 -0.33 1.15 -2.16 0.23 0.00 0.00 176.35 175.84 1tjs s PRO 228 N -1.67 -0.59 -0.13 1.29 0.04 -1.25 -4.73 135.00 127.95 1tjs s PRO 228 Ca 0.47 -0.08 0.02 0.00 0.04 0.00 0.00 61.00 61.46 1tjs s PRO 228 Cb -0.34 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1tjs s PRO 228 CO 0.44 -3.29 -0.20 0.21 0.04 0.00 0.00 177.00 174.20 1tjs s LYS 229 N -5.47 3.12 -0.18 4.56 2.20 0.19 -1.01 119.74 123.14 1tjs s LYS 229 Ca 0.71 -0.82 -0.22 0.00 -0.36 0.00 0.00 55.97 55.28 1tjs s LYS 229 Cb -0.09 -2.45 -0.02 0.00 -1.51 0.00 0.00 37.83 33.76 1tjs s LYS 229 CO 0.55 0.09 0.67 -1.17 -0.36 0.00 0.00 175.35 175.14 1tjs s LEU 230 N 0.58 4.16 -0.10 5.43 1.98 -1.26 0.36 118.68 129.83 1tjs s LEU 230 Ca -0.12 0.92 0.02 0.00 -2.89 0.00 0.00 54.13 52.06 1tjs s LEU 230 Cb -0.16 -2.96 0.01 0.00 0.66 0.00 0.00 46.19 43.74 1tjs s LEU 230 CO 0.04 -0.28 -0.16 -0.51 -1.89 0.00 0.00 176.35 173.55 1tjs s ILE 231 N 1.85 1.50 -0.39 6.68 1.10 0.11 -4.99 121.20 127.06 1tjs s ILE 231 Ca 0.31 -0.65 -0.16 0.00 -0.51 0.00 0.00 60.65 59.63 1tjs s ILE 231 Cb -0.16 -1.36 0.01 0.00 0.15 0.00 0.00 42.46 41.10 1tjs s ILE 231 CO 0.11 0.44 0.38 -0.63 -2.11 0.00 0.00 174.94 173.13 1tjs s ILE 232 N 0.88 5.15 -1.24 2.00 1.01 -1.26 -0.95 121.20 126.79 1tjs s ILE 232 Ca -0.09 -0.27 0.21 0.00 0.00 0.00 0.00 60.65 60.51 1tjs s ILE 232 Cb -0.15 -3.94 0.29 0.00 0.01 0.00 0.00 42.46 38.67 1tjs s ILE 232 CO 0.00 -0.28 1.68 2.29 0.00 0.00 0.00 174.94 178.64 1tjs n LYS 233 N 5.44 0.17 -4.14 2.79 2.85 0.73 -4.85 118.16 121.15 1tjs n LYS 233 Ca -0.09 0.11 -0.10 0.00 -1.05 0.00 0.00 58.31 57.18 1tjs n LYS 233 Cb 0.48 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.26 1tjs n LYS 233 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1tjs s ARG 234 N -2.76 1.02 -0.50 -1.58 3.52 -1.26 -5.09 118.95 112.30 1tjs s ARG 234 Ca 0.16 -1.45 0.03 0.00 -0.13 0.00 0.00 55.73 54.34 1tjs s ARG 234 Cb 0.14 0.27 0.15 0.00 -1.56 0.00 0.00 34.95 33.95 1tjs s ARG 234 CO 0.35 -0.31 0.33 0.21 -0.81 0.00 0.00 175.30 175.07 1tjs s LYS 235 N -4.06 1.51 0.98 5.12 2.36 -1.26 -5.08 119.74 119.30 1tjs s LYS 235 Ca 0.27 -2.39 -0.14 0.00 -2.55 0.00 0.00 55.97 51.15 1tjs s LYS 235 Cb 0.07 -2.40 0.03 0.00 -1.05 0.00 0.00 37.83 34.48 1tjs s LYS 235 CO 0.04 -1.25 0.25 -2.30 1.55 0.00 0.00 175.35 173.64 1tjs n PRO 236 N 2.94 -0.49 0.20 4.03 -0.02 -1.26 -4.92 135.00 135.48 1tjs n PRO 236 Ca 0.17 -0.11 0.07 0.00 -2.02 0.00 0.00 63.50 61.61 1tjs n PRO 236 Cb 0.38 -1.77 0.35 0.00 -0.02 0.00 0.00 33.50 32.44 1tjs n PRO 236 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1tjs h GLU 237 N -1.61 0.00 -3.56 -0.52 4.81 -2.00 -3.46 114.58 108.23 1tjs h GLU 237 Ca -0.45 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.73 1tjs h GLU 237 Cb 1.30 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.58 1tjs h GLU 237 CO 0.34 0.34 -0.10 -1.54 -0.73 0.00 0.00 179.01 177.32 1tjs s SER 238 N -6.37 -0.12 0.20 1.04 1.04 -1.26 -5.03 113.70 103.20 1tjs s SER 238 Ca 0.00 -0.76 0.18 0.00 0.48 0.00 0.00 55.95 55.85 1tjs s SER 238 Cb 0.10 0.56 0.85 0.00 0.10 0.00 0.00 66.02 67.63 1tjs s SER 238 CO 0.68 -1.07 1.55 0.00 0.98 0.00 0.00 173.24 175.38 1tjs n ILE 239 N -0.34 1.09 0.43 -1.02 0.13 -1.26 -1.51 119.36 116.87 1tjs n ILE 239 Ca -0.05 0.43 0.11 0.00 -1.10 0.00 0.00 62.75 62.14 1tjs n ILE 239 Cb 0.62 -1.37 0.25 0.00 -0.84 0.00 0.00 39.64 38.30 1tjs n ILE 239 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 1tjs n PHE 240 N -2.02 0.49 -0.10 9.51 3.72 -1.26 -4.34 117.46 123.46 1tjs n PHE 240 Ca 0.01 -0.25 0.08 0.00 -0.05 0.00 0.00 57.45 57.24 1tjs n PHE 240 Cb 0.13 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 38.86 1tjs n PHE 240 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1tjs n ASP 241 N 1.29 3.17 -4.78 4.37 8.00 -0.57 -5.00 116.55 123.03 1tjs n ASP 241 Ca 0.19 -1.94 -0.35 0.00 0.71 0.00 0.00 54.79 53.39 1tjs n ASP 241 Cb 0.55 -0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 41.36 1tjs n ASP 241 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1tjs s TYR 242 N -1.06 2.88 0.12 1.24 1.51 -1.26 -4.87 117.35 115.92 1tjs s TYR 242 Ca 0.31 1.56 0.09 0.00 -1.01 0.00 0.00 57.07 58.03 1tjs s TYR 242 Cb 0.17 -3.21 -0.04 0.00 -0.11 0.00 0.00 41.96 38.77 1tjs s TYR 242 CO 0.22 -1.21 -0.22 1.03 -1.11 0.00 0.00 175.55 174.26 1tjs s ARG 243 N -3.07 1.23 0.40 -0.62 0.52 -1.26 -5.04 118.95 111.11 1tjs s ARG 243 Ca 0.68 -1.26 0.18 0.00 -0.52 0.00 0.00 55.73 54.81 1tjs s ARG 243 Cb -0.22 -1.52 1.09 0.00 0.52 0.00 0.00 34.95 34.81 1tjs s ARG 243 CO 0.26 0.35 1.79 0.35 0.02 0.00 0.00 175.30 178.07 1tjs h PHE 244 N 3.88 0.64 0.00 -0.53 3.57 -1.97 -0.01 116.94 122.52 1tjs h PHE 244 Ca -0.47 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.02 1tjs h PHE 244 Cb 1.18 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 1tjs h PHE 244 CO 0.62 0.09 -0.16 1.05 -2.23 0.00 0.00 178.31 177.69 1tjs h GLU 245 N 0.41 0.00 -0.14 1.11 9.09 -2.03 -3.26 114.58 119.76 1tjs h GLU 245 Ca 0.57 0.00 0.04 0.00 0.05 0.00 0.00 59.36 60.02 1tjs h GLU 245 Cb 1.42 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.51 1tjs h GLU 245 CO -0.27 0.16 0.12 -0.44 0.05 0.00 0.00 179.01 178.63 1tjs h ASP 246 N 0.00 0.00 -2.83 3.06 3.32 -1.38 -3.43 116.42 115.16 1tjs h ASP 246 Ca -0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 1tjs h ASP 246 Cb 0.65 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.15 1tjs h ASP 246 CO 0.02 0.00 -0.39 -0.36 -1.72 0.00 0.00 179.24 176.79 1tjs s PHE 247 N -4.91 3.61 -0.09 4.55 0.08 -1.23 -0.19 117.98 119.80 1tjs s PHE 247 Ca -0.05 0.63 -0.06 0.00 0.12 0.00 0.00 56.93 57.57 1tjs s PHE 247 Cb 0.17 -2.02 0.04 0.00 -0.57 0.00 0.00 43.02 40.63 1tjs s PHE 247 CO 0.64 0.67 0.23 -1.21 -0.10 0.00 0.00 175.22 175.44 1tjs s GLU 248 N -1.37 0.21 -0.20 0.44 2.02 -0.13 -4.96 118.70 114.72 1tjs s GLU 248 Ca 0.22 0.45 -0.04 0.00 0.02 0.00 0.00 54.97 55.62 1tjs s GLU 248 Cb -0.13 -0.05 -0.02 0.00 0.10 0.00 0.00 34.13 34.03 1tjs s GLU 248 CO 0.11 -0.12 -0.02 -1.50 0.02 0.00 0.00 175.26 173.75 1tjs s ILE 249 N 0.89 3.71 0.00 -1.63 1.10 -1.26 0.06 121.20 124.06 1tjs s ILE 249 Ca -0.06 -0.40 0.03 0.00 -0.51 0.00 0.00 60.65 59.71 1tjs s ILE 249 Cb -0.08 -2.67 -0.03 0.00 0.15 0.00 0.00 42.46 39.83 1tjs s ILE 249 CO -0.05 0.44 -0.05 -0.70 -2.11 0.00 0.00 174.94 172.46 1tjs s GLU 250 N 1.05 2.61 -0.67 3.50 2.12 0.16 -4.72 118.70 122.76 1tjs s GLU 250 Ca 0.01 -0.69 -0.04 0.00 0.36 0.00 0.00 54.97 54.62 1tjs s GLU 250 Cb -0.14 -2.55 0.00 0.00 0.26 0.00 0.00 34.13 31.70 1tjs s GLU 250 CO 0.01 0.61 0.51 0.41 -0.54 0.00 0.00 175.26 176.25 1tjs n GLY 251 N 1.54 0.22 3.34 -1.50 0.00 -1.26 0.55 105.19 108.06 1tjs n GLY 251 Ca -0.15 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1tjs n GLY 251 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1tjs s TYR 252 N -3.09 3.28 -0.63 1.61 5.04 -1.26 -4.03 117.35 118.27 1tjs s TYR 252 Ca 0.25 -1.18 0.05 0.00 -2.44 0.00 0.00 57.07 53.75 1tjs s TYR 252 Cb -0.11 -2.86 0.16 0.00 0.35 0.00 0.00 41.96 39.51 1tjs s TYR 252 CO 0.31 -0.77 0.44 0.34 -1.34 0.00 0.00 175.55 174.53 1tjs s ASP 253 N 2.07 4.25 0.47 4.32 2.15 -1.26 -5.10 116.67 123.58 1tjs s ASP 253 Ca 0.03 -3.61 -0.06 0.00 0.43 0.00 0.00 52.55 49.34 1tjs s ASP 253 Cb -0.22 -1.44 -0.04 0.00 -0.30 0.00 0.00 42.92 40.92 1tjs s ASP 253 CO 0.05 -0.12 0.78 -2.16 -0.17 0.00 0.00 175.17 173.55 1tjs s PRO 254 N -1.05 3.56 0.86 4.34 0.04 -1.26 -4.86 135.00 136.62 1tjs s PRO 254 Ca 0.25 0.21 -0.12 0.00 0.04 0.00 0.00 61.00 61.39 1tjs s PRO 254 Cb -0.06 -2.38 0.10 0.00 0.04 0.00 0.00 34.50 32.20 1tjs s PRO 254 CO -0.15 -0.18 1.11 -1.01 0.04 0.00 0.00 177.00 176.81 1tjs s HIS 255 N -2.69 2.63 0.40 0.56 3.76 0.11 -4.81 115.29 115.24 1tjs s HIS 255 Ca 0.48 1.06 -0.27 0.00 -0.15 0.00 0.00 55.06 56.18 1tjs s HIS 255 Cb -0.10 -3.22 -0.10 0.00 1.11 0.00 0.00 32.58 30.27 1tjs s HIS 255 CO 0.43 -2.10 1.42 -0.35 -0.85 0.00 0.00 174.74 173.29 1tjs n PRO 256 N -3.63 2.39 -1.70 8.40 -0.04 -1.26 -1.40 135.00 137.76 1tjs n PRO 256 Ca 0.07 0.84 -0.38 0.00 -0.04 0.00 0.00 63.50 63.99 1tjs n PRO 256 Cb 0.57 -2.58 0.06 0.00 -0.04 0.00 0.00 33.50 31.51 1tjs n PRO 256 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1tjs n GLY 257 N 0.57 0.39 3.28 0.55 0.00 -1.26 -4.01 105.19 104.72 1tjs n GLY 257 Ca 0.03 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1tjs n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tjs s ILE 258 N -1.39 1.93 -0.06 -0.61 1.01 -1.26 -4.87 121.20 115.96 1tjs s ILE 258 Ca 0.78 -1.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.36 1tjs s ILE 258 Cb -0.40 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1tjs s ILE 258 CO 0.44 0.55 0.07 -0.54 0.00 0.00 0.00 174.94 175.46 1tjs s LYS 259 N -0.57 3.13 -0.13 2.79 -0.14 -1.26 -5.04 119.74 118.52 1tjs s LYS 259 Ca 0.09 -0.38 -0.02 0.00 -1.36 0.00 0.00 55.97 54.31 1tjs s LYS 259 Cb -0.10 -2.92 0.04 0.00 -1.68 0.00 0.00 37.83 33.18 1tjs s LYS 259 CO -0.01 0.69 -0.00 0.00 -0.76 0.00 0.00 175.35 175.27 1tjs s ALA 260 N -1.07 0.99 0.91 5.17 0.00 -1.26 -4.95 121.76 121.56 1tjs s ALA 260 Ca 0.18 -0.48 -0.13 0.00 0.00 0.00 0.00 51.96 51.53 1tjs s ALA 260 Cb -0.12 -0.98 0.14 0.00 0.00 0.00 0.00 23.12 22.16 1tjs s ALA 260 CO 0.08 -0.77 1.16 -1.25 0.00 0.00 0.00 175.76 174.99 1tjs s PRO 261 N 1.85 1.15 0.06 0.00 0.04 -1.26 -5.07 135.00 131.77 1tjs s PRO 261 Ca 0.02 0.17 0.04 0.00 0.04 0.00 0.00 61.00 61.26 1tjs s PRO 261 Cb -0.14 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1tjs s PRO 261 CO -0.07 -2.16 -0.11 0.14 0.04 0.00 0.00 177.00 174.84 1tjs s VAL 262 N -3.39 0.82 0.83 -0.36 -7.23 -1.26 -4.95 120.40 104.86 1tjs s VAL 262 Ca 0.65 -1.18 -0.12 0.00 -1.81 0.00 0.00 61.98 59.52 1tjs s VAL 262 Cb -0.13 -0.83 0.09 0.00 0.56 0.00 0.00 36.38 36.08 1tjs s VAL 262 CO 0.52 -0.30 1.13 0.00 -0.31 0.00 0.00 175.10 176.15 1tjs s ALA 263 N -1.31 2.22 0.00 1.32 0.00 -1.26 -5.22 121.76 117.51 1tjs s ALA 263 Ca -0.06 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1tjs s ALA 263 Cb -0.10 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1tjs s ALA 263 CO 0.01 -1.87 0.28 1.51 0.00 0.00 0.00 175.76 175.69