#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtu h GLN 3 N 0.00 -0.32 -0.59 -1.58 7.50 -1.99 0.39 115.11 118.52 1jtu h GLN 3 Ca 0.00 0.02 0.06 0.00 0.50 0.00 0.00 58.65 59.23 1jtu h GLN 3 Cb 0.00 0.07 -0.06 0.00 0.05 0.00 0.00 27.48 27.55 1jtu h GLN 3 CO 0.00 -0.21 0.29 -0.92 -1.50 0.00 0.00 178.83 176.49 1jtu h TYR 4 N -0.33 0.53 -0.24 2.96 3.20 -2.00 -1.12 116.97 119.96 1jtu h TYR 4 Ca 0.07 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.85 1jtu h TYR 4 Cb 0.43 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1jtu h TYR 4 CO -0.28 0.23 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.08 1jtu h LEU 5 N 0.54 0.52 -0.04 2.82 4.07 -1.91 -1.49 115.31 119.82 1jtu h LEU 5 Ca 0.27 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 58.03 1jtu h LEU 5 Cb 0.22 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 41.81 1jtu h LEU 5 CO -0.20 0.81 0.01 -0.33 -1.08 0.00 0.00 178.44 177.64 1jtu h GLU 6 N 0.43 0.07 -0.94 1.13 5.08 -0.31 -0.01 114.58 120.02 1jtu h GLU 6 Ca 0.05 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1jtu h GLU 6 Cb 0.78 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.95 1jtu h GLU 6 CO 0.06 0.32 0.60 1.25 -1.00 0.00 0.00 179.01 180.24 1jtu h LEU 7 N -0.19 0.96 -0.60 1.33 5.85 -1.15 0.14 115.31 121.65 1jtu h LEU 7 Ca 0.01 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1jtu h LEU 7 Cb 0.29 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1jtu h LEU 7 CO 0.00 0.62 0.37 -0.03 -0.34 0.00 0.00 178.44 179.06 1jtu h MET 8 N 1.10 0.81 -0.58 1.25 4.05 -0.99 -1.39 114.93 119.18 1jtu h MET 8 Ca 0.40 -0.07 -0.07 0.00 -0.28 0.00 0.00 59.70 59.68 1jtu h MET 8 Cb 0.15 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 1jtu h MET 8 CO -0.17 0.58 0.09 0.37 0.23 0.00 0.00 176.91 178.01 1jtu h GLN 9 N 0.81 0.97 -0.78 0.39 5.75 0.02 -3.00 115.11 119.27 1jtu h GLN 9 Ca 0.22 -0.27 0.06 0.00 -0.15 0.00 0.00 58.65 58.51 1jtu h GLN 9 Cb -0.03 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 28.35 1jtu h GLN 9 CO -0.04 0.93 0.47 -0.22 -2.65 0.00 0.00 178.83 177.32 1jtu h LYS 10 N 0.87 0.84 -0.77 1.69 3.64 -0.21 -0.99 116.57 121.63 1jtu h LYS 10 Ca 0.18 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1jtu h LYS 10 Cb 0.43 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 1jtu h LYS 10 CO 0.01 0.55 0.46 0.28 -2.27 0.00 0.00 179.45 178.49 1jtu h VAL 11 N 0.86 1.22 -0.24 2.00 2.07 -1.14 0.23 116.25 121.26 1jtu h VAL 11 Ca 0.34 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 1jtu h VAL 11 Cb 0.17 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1jtu h VAL 11 CO -0.17 0.23 -0.05 -0.07 0.02 0.00 0.00 177.57 177.53 1jtu h LEU 12 N 1.06 0.47 -0.26 2.57 3.38 -1.31 0.61 115.31 121.83 1jtu h LEU 12 Ca 0.28 -0.36 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 1jtu h LEU 12 Cb -0.03 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1jtu h LEU 12 CO -0.05 0.71 -0.37 0.44 0.09 0.00 0.00 178.44 179.27 1jtu h ASP 13 N 0.21 0.77 0.00 -0.43 3.32 -0.94 -3.36 116.42 115.98 1jtu h ASP 13 Ca 0.06 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1jtu h ASP 13 Cb 0.51 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1jtu h ASP 13 CO 0.02 1.13 -1.04 -0.62 -1.72 0.00 0.00 179.24 177.00 1jtu n GLU 14 N -4.22 1.78 -1.26 3.56 1.02 0.80 -5.05 120.64 117.27 1jtu n GLU 14 Ca -0.05 -0.05 -0.38 0.00 -0.02 0.00 0.00 57.16 56.66 1jtu n GLU 14 Cb 0.52 -1.16 0.03 0.00 -0.02 0.00 0.00 31.44 30.81 1jtu n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jtu n GLY 15 N 1.55 -2.82 3.54 0.62 0.00 0.21 -4.89 105.19 103.41 1jtu n GLY 15 Ca -0.00 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 1jtu n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jtu s THR 16 N -1.94 3.22 -0.23 2.61 2.01 0.12 -4.72 115.64 116.71 1jtu s THR 16 Ca 0.58 -1.16 -0.27 0.00 0.31 0.00 0.00 61.69 61.15 1jtu s THR 16 Cb -0.42 -2.44 0.00 0.00 0.01 0.00 0.00 72.50 69.65 1jtu s THR 16 CO 0.65 0.23 0.96 -1.58 -0.69 0.00 0.00 174.62 174.19 1jtu s GLN 17 N -1.83 4.23 0.10 4.92 2.00 -1.26 -0.98 119.66 126.84 1jtu s GLN 17 Ca 0.18 1.20 0.06 0.00 -2.00 0.00 0.00 55.36 54.80 1jtu s GLN 17 Cb -0.11 -3.64 -0.03 0.00 0.80 0.00 0.00 33.01 30.03 1jtu s GLN 17 CO 0.10 -0.58 -0.15 0.15 -0.50 0.00 0.00 175.29 174.31 1jtu s LYS 18 N 3.05 0.94 -0.50 1.67 1.02 -0.66 -4.99 119.74 120.28 1jtu s LYS 18 Ca 0.40 -1.10 -0.11 0.00 0.02 0.00 0.00 55.97 55.18 1jtu s LYS 18 Cb -0.15 -0.91 0.12 0.00 -0.52 0.00 0.00 37.83 36.37 1jtu s LYS 18 CO 0.07 0.19 0.40 1.21 -0.92 0.00 0.00 175.35 176.29 1jtu s ASN 19 N -2.07 5.85 0.79 2.83 3.84 -1.26 -0.91 114.94 124.01 1jtu s ASN 19 Ca 0.04 -1.89 -0.08 0.00 0.21 0.00 0.00 52.86 51.13 1jtu s ASN 19 Cb -0.08 -2.07 0.12 0.00 -0.55 0.00 0.00 41.25 38.67 1jtu s ASN 19 CO 0.03 -0.74 1.11 1.51 -2.79 0.00 0.00 177.10 176.21 1jtu s ASP 20 N 2.93 4.16 0.61 -4.21 -4.77 -1.26 -4.94 116.67 109.18 1jtu s ASP 20 Ca 0.05 0.18 0.32 0.00 -3.30 0.00 0.00 52.55 49.80 1jtu s ASP 20 Cb -0.27 -0.57 1.85 0.00 -1.09 0.00 0.00 42.92 42.84 1jtu s ASP 20 CO 0.00 -2.03 2.21 0.08 0.70 0.00 0.00 175.17 176.13 1jtu h ARG 21 N -0.91 0.00 0.00 2.11 0.11 -2.01 -0.64 114.38 113.03 1jtu h ARG 21 Ca -0.42 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.63 1jtu h ARG 21 Cb 1.28 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.35 1jtu h ARG 21 CO 0.48 0.00 -0.11 1.79 0.10 0.00 0.00 179.97 182.23 1jtu h THR 22 N 0.00 0.22 0.00 0.08 1.35 -1.93 -3.47 112.91 109.16 1jtu h THR 22 Ca 0.03 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 1jtu h THR 22 Cb 0.20 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1jtu h THR 22 CO -0.00 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 175.99 1jtu n GLY 23 N 0.78 0.76 0.09 5.82 0.00 -0.25 -4.90 105.19 107.49 1jtu n GLY 23 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1jtu n GLY 23 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jtu h THR 24 N 0.00 1.53 0.00 2.61 2.02 -1.91 -3.48 112.91 113.68 1jtu h THR 24 Ca 0.00 -3.15 0.00 0.00 0.77 0.00 0.00 66.41 64.03 1jtu h THR 24 Cb 0.00 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 1jtu h THR 24 CO 0.00 0.91 0.00 0.61 0.37 0.00 0.00 175.52 177.41 1jtu n GLY 25 N 1.49 0.27 3.25 2.16 0.00 -1.26 -4.55 105.19 106.54 1jtu n GLY 25 Ca -0.07 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 1jtu n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jtu s THR 26 N -2.24 0.00 -0.20 2.61 -4.23 -0.09 -1.99 115.64 109.50 1jtu s THR 26 Ca 0.00 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 58.58 1jtu s THR 26 Cb 0.00 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.39 1jtu s THR 26 CO 0.00 0.00 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.69 1jtu s LEU 27 N -3.18 2.45 0.04 4.79 2.96 -0.12 -1.65 118.68 123.96 1jtu s LEU 27 Ca 0.38 -0.80 -0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1jtu s LEU 27 Cb 0.06 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.21 1jtu s LEU 27 CO 0.14 -0.04 0.00 -0.94 -1.32 0.00 0.00 176.35 174.19 1jtu s SER 28 N 1.26 0.33 0.22 3.68 1.04 -0.15 -0.97 113.70 119.11 1jtu s SER 28 Ca 0.02 -0.73 0.07 0.00 0.48 0.00 0.00 55.95 55.79 1jtu s SER 28 Cb -0.15 0.18 -0.05 0.00 0.10 0.00 0.00 66.02 66.10 1jtu s SER 28 CO -0.11 -0.48 -0.12 0.27 0.98 0.00 0.00 173.24 173.78 1jtu s ILE 29 N -2.83 1.67 -0.13 -1.02 -4.36 -0.44 -0.70 121.20 113.39 1jtu s ILE 29 Ca -0.03 -2.18 0.02 0.00 -0.26 0.00 0.00 60.65 58.20 1jtu s ILE 29 Cb 0.00 -2.13 0.01 0.00 1.25 0.00 0.00 42.46 41.59 1jtu s ILE 29 CO -0.06 -0.53 -0.20 0.12 0.24 0.00 0.00 174.94 174.51 1jtu s PHE 30 N -3.01 2.44 0.00 1.37 5.36 -1.26 -1.33 117.98 121.54 1jtu s PHE 30 Ca 0.24 -1.22 0.00 0.00 -0.96 0.00 0.00 56.93 54.99 1jtu s PHE 30 Cb 0.01 -1.69 0.00 0.00 -0.34 0.00 0.00 43.02 41.00 1jtu s PHE 30 CO 0.08 -0.58 0.00 0.41 -1.46 0.00 0.00 175.22 173.67 1jtu n GLY 31 N 4.14 -1.83 3.41 13.12 0.00 -0.87 -5.03 105.19 118.13 1jtu n GLY 31 Ca -0.20 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 1jtu n GLY 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jtu s HIS 32 N 0.00 -0.49 -0.03 1.61 5.04 -1.15 -4.99 115.29 115.28 1jtu s HIS 32 Ca 0.00 0.90 0.00 0.00 -1.54 0.00 0.00 55.06 54.42 1jtu s HIS 32 Cb 0.00 0.27 0.03 0.00 0.04 0.00 0.00 32.58 32.92 1jtu s HIS 32 CO 0.00 -0.48 0.01 -1.14 -2.34 0.00 0.00 174.74 170.79 1jtu s GLN 33 N -0.98 0.27 0.06 2.88 0.74 -1.26 -0.95 119.66 120.43 1jtu s GLN 33 Ca -0.10 0.10 0.09 0.00 0.05 0.00 0.00 55.36 55.50 1jtu s GLN 33 Cb -0.02 -0.50 -0.03 0.00 1.10 0.00 0.00 33.01 33.56 1jtu s GLN 33 CO 0.06 -0.16 -0.24 -1.64 -0.55 0.00 0.00 175.29 172.76 1jtu s MET 34 N 1.15 1.55 -0.10 1.67 -1.94 0.54 -4.98 119.30 117.20 1jtu s MET 34 Ca -0.08 -1.10 0.04 0.00 -1.71 0.00 0.00 55.69 52.84 1jtu s MET 34 Cb -0.13 -1.77 0.00 0.00 2.01 0.00 0.00 34.83 34.93 1jtu s MET 34 CO -0.02 0.45 -0.24 0.50 -0.01 0.00 0.00 175.02 175.70 1jtu s ARG 35 N -1.41 3.02 -0.25 2.03 3.52 -1.26 -0.14 118.95 124.45 1jtu s ARG 35 Ca 0.10 -0.87 0.02 0.00 -0.13 0.00 0.00 55.73 54.85 1jtu s ARG 35 Cb -0.10 -2.28 0.06 0.00 -1.56 0.00 0.00 34.95 31.08 1jtu s ARG 35 CO 0.03 0.18 -0.07 -0.06 -0.81 0.00 0.00 175.30 174.56 1jtu s PHE 36 N 0.35 2.81 -0.47 5.12 0.40 0.46 -4.97 117.98 121.69 1jtu s PHE 36 Ca -0.19 -2.05 -0.29 0.00 -0.60 0.00 0.00 56.93 53.80 1jtu s PHE 36 Cb -0.18 -1.79 0.02 0.00 0.51 0.00 0.00 43.02 41.58 1jtu s PHE 36 CO 0.09 -0.83 1.28 1.21 0.70 0.00 0.00 175.22 177.66 1jtu s ASN 37 N 1.25 6.46 0.00 1.36 3.84 -1.26 -0.65 114.94 125.94 1jtu s ASN 37 Ca -0.06 0.57 0.09 0.00 0.21 0.00 0.00 52.86 53.68 1jtu s ASN 37 Cb -0.19 -2.55 0.44 0.00 -0.55 0.00 0.00 41.25 38.40 1jtu s ASN 37 CO -0.06 -1.38 1.25 0.18 -2.79 0.00 0.00 177.10 174.30 1jtu n LEU 38 N 8.42 0.00 0.05 3.21 4.32 -0.64 -1.93 117.00 130.44 1jtu n LEU 38 Ca 0.14 0.40 -0.03 0.00 -0.02 0.00 0.00 56.01 56.50 1jtu n LEU 38 Cb 0.49 -0.40 0.20 0.00 -1.62 0.00 0.00 43.42 42.09 1jtu n LEU 38 CO 0.71 -0.27 0.67 1.56 -1.22 0.00 0.00 177.39 178.84 1jtu h GLN 39 N 0.00 0.37 0.00 3.23 1.08 -1.84 -2.47 115.11 115.47 1jtu h GLN 39 Ca 0.00 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 1jtu h GLN 39 Cb 0.13 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1jtu h GLN 39 CO 0.00 0.68 0.00 -0.25 -0.95 0.00 0.00 178.83 178.31 1jtu n ASP 40 N -4.06 0.00 0.00 1.46 8.00 -0.81 -4.98 116.55 116.15 1jtu n ASP 40 Ca -0.01 -1.78 0.00 0.00 0.71 0.00 0.00 54.79 53.71 1jtu n ASP 40 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1jtu n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jtu n GLY 41 N 0.42 2.07 3.68 0.44 0.00 -0.93 -4.70 105.19 106.18 1jtu n GLY 41 Ca 0.01 -1.96 -0.45 0.00 0.00 0.00 0.00 46.02 43.62 1jtu n GLY 41 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1jtu n PHE 42 N 1.46 2.45 -1.16 1.61 7.35 -1.12 -4.66 117.46 123.39 1jtu n PHE 42 Ca 0.00 0.11 -0.22 0.00 -0.76 0.00 0.00 57.45 56.59 1jtu n PHE 42 Cb 0.00 -2.62 -0.12 0.00 0.35 0.00 0.00 39.48 37.09 1jtu n PHE 42 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1jtu n PRO 43 N 4.30 2.59 -3.23 -7.13 -0.04 -1.26 -3.98 135.00 126.25 1jtu n PRO 43 Ca 0.18 -1.52 -0.40 0.00 -0.04 0.00 0.00 63.50 61.71 1jtu n PRO 43 Cb 0.32 -2.25 -0.08 0.00 -0.04 0.00 0.00 33.50 31.45 1jtu n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1jtu s LEU 44 N -0.21 4.15 0.29 1.53 2.96 -1.26 -4.50 118.68 121.64 1jtu s LEU 44 Ca 0.67 0.33 -0.28 0.00 -0.22 0.00 0.00 54.13 54.62 1jtu s LEU 44 Cb 0.28 -2.65 -0.14 0.00 0.50 0.00 0.00 46.19 44.19 1jtu s LEU 44 CO -0.04 -0.37 1.07 1.33 -1.32 0.00 0.00 176.35 177.02 1jtu n VAL 45 N 5.27 1.92 0.06 1.68 0.24 -1.26 -4.79 118.33 121.45 1jtu n VAL 45 Ca -0.04 -0.48 0.05 0.00 -2.04 0.00 0.00 64.34 61.83 1jtu n VAL 45 Cb 0.49 -1.09 -0.08 0.00 -1.47 0.00 0.00 33.84 31.70 1jtu n VAL 45 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1jtu n THR 46 N 0.33 0.00 1.23 3.34 -2.24 -1.26 -4.45 114.28 111.23 1jtu n THR 46 Ca 0.09 -0.24 0.02 0.00 -2.27 0.00 0.00 64.05 61.65 1jtu n THR 46 Cb 0.32 0.36 0.10 0.00 -2.10 0.00 0.00 70.33 69.00 1jtu n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jtu n THR 47 N -1.78 0.00 -3.65 4.28 -2.24 -1.26 -0.47 114.28 109.16 1jtu n THR 47 Ca -0.01 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.75 1jtu n THR 47 Cb 0.26 -0.28 -0.07 0.00 -2.10 0.00 0.00 70.33 68.15 1jtu n THR 47 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1jtu s LYS 48 N -2.00 0.27 0.25 -0.78 2.20 -1.26 -4.67 119.74 113.75 1jtu s LYS 48 Ca 0.05 0.43 -0.30 0.00 -0.36 0.00 0.00 55.97 55.79 1jtu s LYS 48 Cb 0.02 0.07 -0.10 0.00 -1.51 0.00 0.00 37.83 36.32 1jtu s LYS 48 CO 0.04 -0.05 1.33 0.50 -0.36 0.00 0.00 175.35 176.81 1jtu s ARG 49 N 1.00 4.36 -0.09 4.03 3.52 -0.73 -4.78 118.95 126.26 1jtu s ARG 49 Ca -0.06 2.15 0.03 0.00 -0.13 0.00 0.00 55.73 57.73 1jtu s ARG 49 Cb -0.04 -3.14 -0.01 0.00 -1.56 0.00 0.00 34.95 30.21 1jtu s ARG 49 CO -0.12 -0.25 -0.20 0.00 -0.81 0.00 0.00 175.30 173.91 1jtu s HIS 51 N 0.13 1.59 -0.30 0.00 2.46 -1.26 -4.86 115.29 113.05 1jtu s HIS 51 Ca -0.10 0.69 0.22 0.00 0.47 0.00 0.00 55.06 56.33 1jtu s HIS 51 Cb -0.16 -4.04 0.12 0.00 -0.13 0.00 0.00 32.58 28.38 1jtu s HIS 51 CO 0.06 -3.12 1.26 1.25 -2.47 0.00 0.00 174.74 171.72 1jtu h LEU 52 N 14.69 0.00 -0.77 8.88 6.46 -2.00 -3.31 115.31 139.25 1jtu h LEU 52 Ca -0.34 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.33 1jtu h LEU 52 Cb 1.19 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.11 1jtu h LEU 52 CO 1.04 0.06 -0.41 0.08 -0.62 0.00 0.00 178.44 178.59 1jtu h ARG 53 N 0.00 0.00 0.00 1.25 0.11 -2.00 -2.32 114.38 111.42 1jtu h ARG 53 Ca -0.01 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.88 1jtu h ARG 53 Cb 1.05 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.11 1jtu h ARG 53 CO 0.01 0.41 -0.94 0.66 0.10 0.00 0.00 179.97 180.21 1jtu h SER 54 N 0.00 0.00 0.09 0.08 4.64 -1.93 -1.88 113.55 114.55 1jtu h SER 54 Ca -0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1jtu h SER 54 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1jtu h SER 54 CO 0.05 0.85 -0.82 0.40 -0.87 0.00 0.00 176.83 176.45 1jtu h ILE 55 N 0.00 1.33 0.01 0.95 2.04 -1.61 -2.70 117.51 117.52 1jtu h ILE 55 Ca -0.04 -2.14 -0.10 0.00 1.00 0.00 0.00 64.86 63.58 1jtu h ILE 55 Cb 1.68 2.14 0.01 0.00 -0.74 0.00 0.00 36.82 39.91 1jtu h ILE 55 CO 0.11 0.66 -0.41 0.40 0.00 0.00 0.00 178.15 178.90 1jtu h ILE 56 N 0.38 1.51 -0.57 -0.67 2.04 -1.47 -2.99 117.51 115.74 1jtu h ILE 56 Ca -0.06 -2.04 -0.06 0.00 1.00 0.00 0.00 64.86 63.70 1jtu h ILE 56 Cb 1.43 2.75 -0.03 0.00 -0.74 0.00 0.00 36.82 40.23 1jtu h ILE 56 CO 0.15 0.57 0.11 0.45 0.00 0.00 0.00 178.15 179.43 1jtu h HIS 57 N -0.36 0.95 0.31 1.37 3.86 -1.45 -1.39 115.15 118.44 1jtu h HIS 57 Ca -0.05 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.04 1jtu h HIS 57 Cb 1.16 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 29.36 1jtu h HIS 57 CO 0.17 0.81 -0.17 1.49 0.86 0.00 0.00 177.93 181.09 1jtu h GLU 58 N 0.86 -0.43 -0.55 2.45 4.81 -1.57 0.33 114.58 120.48 1jtu h GLU 58 Ca 0.18 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.52 1jtu h GLU 58 Cb 0.36 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.77 1jtu h GLU 58 CO 0.01 -0.28 0.20 1.25 -0.73 0.00 0.00 179.01 179.45 1jtu h LEU 59 N -0.44 0.21 -1.25 1.64 5.85 -1.36 0.17 115.31 120.13 1jtu h LEU 59 Ca -0.04 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1jtu h LEU 59 Cb 0.35 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1jtu h LEU 59 CO 0.05 0.14 -0.34 -0.07 -0.34 0.00 0.00 178.44 177.89 1jtu h LEU 60 N 0.39 0.00 -0.35 2.25 3.38 -1.04 -2.09 115.31 117.84 1jtu h LEU 60 Ca 0.27 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 1jtu h LEU 60 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1jtu h LEU 60 CO -0.27 0.34 -0.02 -0.25 0.09 0.00 0.00 178.44 178.33 1jtu h TRP 61 N 0.00 0.69 0.57 1.13 7.01 0.20 -2.92 115.95 122.63 1jtu h TRP 61 Ca -0.00 -0.13 -0.02 0.00 2.11 0.00 0.00 58.89 60.85 1jtu h TRP 61 Cb 0.70 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 1jtu h TRP 61 CO 0.00 0.75 -0.39 0.74 -2.79 0.00 0.00 178.44 176.74 1jtu h PHE 62 N 0.43 -1.05 -0.18 2.65 0.04 -0.25 -2.78 116.94 115.80 1jtu h PHE 62 Ca 0.10 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.91 1jtu h PHE 62 Cb 0.48 0.38 -0.01 0.00 2.20 0.00 0.00 35.95 39.01 1jtu h PHE 62 CO 0.04 -0.58 0.47 -0.07 -0.60 0.00 0.00 178.31 177.57 1jtu h LEU 63 N -0.93 0.00 0.00 1.54 3.38 -1.36 0.61 115.31 118.55 1jtu h LEU 63 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1jtu h LEU 63 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1jtu h LEU 63 CO 0.04 0.00 -0.35 0.00 0.09 0.00 0.00 178.44 178.22 1jtu n GLN 64 N -3.14 0.07 -2.28 1.13 1.13 -1.06 -4.93 117.38 108.31 1jtu n GLN 64 Ca 0.02 0.03 -0.02 0.00 -1.94 0.00 0.00 57.00 55.10 1jtu n GLN 64 Cb 0.56 -1.56 0.00 0.00 0.11 0.00 0.00 30.24 29.36 1jtu n GLN 64 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jtu n GLY 65 N 1.46 0.53 3.78 1.08 0.00 0.21 -5.04 105.19 107.21 1jtu n GLY 65 Ca 0.05 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 1jtu n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jtu s ASP 66 N -2.97 6.17 0.00 1.61 2.15 -1.16 -4.37 116.67 118.10 1jtu s ASP 66 Ca 0.02 0.31 0.07 0.00 0.43 0.00 0.00 52.55 53.39 1jtu s ASP 66 Cb -0.01 -2.03 -0.07 0.00 -0.30 0.00 0.00 42.92 40.51 1jtu s ASP 66 CO 0.03 0.29 0.35 0.35 -0.17 0.00 0.00 175.17 176.01 1jtu n THR 67 N 2.79 0.00 -3.49 1.71 -2.24 -1.26 -4.41 114.28 107.37 1jtu n THR 67 Ca -0.18 -0.34 -0.38 0.00 -2.27 0.00 0.00 64.05 60.88 1jtu n THR 67 Cb 0.53 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.72 1jtu n THR 67 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jtu s ASN 68 N -1.62 6.73 0.00 3.42 3.84 -1.26 -2.83 114.94 123.22 1jtu s ASN 68 Ca 0.03 0.87 0.00 0.00 0.21 0.00 0.00 52.86 53.97 1jtu s ASN 68 Cb 0.06 -2.24 0.00 0.00 -0.55 0.00 0.00 41.25 38.51 1jtu s ASN 68 CO 0.29 0.25 0.74 2.30 -2.79 0.00 0.00 177.10 177.89 1jtu n ILE 69 N 2.33 0.00 0.41 -5.21 -5.35 -0.94 -3.98 119.36 106.62 1jtu n ILE 69 Ca -0.13 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.16 1jtu n ILE 69 Cb 0.52 -0.17 -0.10 0.00 -1.74 0.00 0.00 39.64 38.15 1jtu n ILE 69 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jtu h ALA 70 N 2.48 -1.18 -0.81 -1.28 0.00 -1.92 -2.58 119.26 113.97 1jtu h ALA 70 Ca 0.00 -0.23 0.20 0.00 0.00 0.00 0.00 54.91 54.87 1jtu h ALA 70 Cb 0.12 0.57 -0.14 0.00 0.00 0.00 0.00 17.79 18.35 1jtu h ALA 70 CO 0.00 -1.18 0.08 -0.92 0.00 0.00 0.00 179.25 177.23 1jtu h TYR 71 N -1.13 0.08 -0.01 0.00 3.20 -2.01 0.14 116.97 117.24 1jtu h TYR 71 Ca -0.10 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 1jtu h TYR 71 Cb 0.91 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.27 1jtu h TYR 71 CO -0.11 -0.23 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.04 1jtu h LEU 72 N 0.14 0.01 0.04 2.82 3.38 -1.76 -2.56 115.31 117.38 1jtu h LEU 72 Ca 0.47 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.43 1jtu h LEU 72 Cb 0.87 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1jtu h LEU 72 CO -0.67 0.09 -0.02 0.45 0.09 0.00 0.00 178.44 178.37 1jtu h HIS 73 N 0.01 -0.05 -1.54 1.13 3.86 -0.37 0.44 115.15 118.64 1jtu h HIS 73 Ca 0.00 -0.00 0.45 0.00 -1.16 0.00 0.00 60.37 59.66 1jtu h HIS 73 Cb 0.13 0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.56 1jtu h HIS 73 CO 0.00 0.48 1.30 1.49 0.86 0.00 0.00 177.93 182.06 1jtu h GLU 74 N -0.62 0.00 0.00 2.45 4.57 -0.97 0.88 114.58 120.89 1jtu h GLU 74 Ca -0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1jtu h GLU 74 Cb 0.56 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1jtu h GLU 74 CO 0.01 0.00 -0.28 0.09 -1.18 0.00 0.00 179.01 177.65 1jtu n ASN 75 N -3.66 1.98 -3.59 1.04 4.13 -1.13 -5.02 115.26 109.01 1jtu n ASN 75 Ca 0.35 -3.52 -0.22 0.00 1.68 0.00 0.00 54.58 52.87 1jtu n ASN 75 Cb 1.77 -0.48 0.05 0.00 -1.54 0.00 0.00 39.78 39.57 1jtu n ASN 75 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1jtu n ASN 76 N -1.25 -2.90 -4.08 6.41 5.03 0.30 -4.98 115.26 113.80 1jtu n ASN 76 Ca 0.17 -0.82 -0.32 0.00 0.87 0.00 0.00 54.58 54.49 1jtu n ASN 76 Cb 0.67 -4.23 -0.16 0.00 -1.02 0.00 0.00 39.78 35.04 1jtu n ASN 76 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1jtu s VAL 77 N -3.56 1.96 -0.34 2.41 1.01 0.15 -4.94 120.40 117.09 1jtu s VAL 77 Ca 0.16 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 61.19 1jtu s VAL 77 Cb -0.04 -1.86 0.45 0.00 0.00 0.00 0.00 36.38 34.93 1jtu s VAL 77 CO 0.80 0.39 1.20 0.35 0.00 0.00 0.00 175.10 177.84 1jtu n THR 78 N 4.62 2.53 0.09 3.92 -2.24 -1.26 -4.17 114.28 117.76 1jtu n THR 78 Ca -0.19 -4.38 0.10 0.00 -2.27 0.00 0.00 64.05 57.32 1jtu n THR 78 Cb 0.48 -1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 67.52 1jtu n THR 78 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1jtu n ILE 79 N -0.65 0.64 -2.02 2.28 -5.35 -1.26 -4.26 119.36 108.73 1jtu n ILE 79 Ca 0.43 -0.56 -0.27 0.00 -0.27 0.00 0.00 62.75 62.09 1jtu n ILE 79 Cb 0.88 -0.36 0.02 0.00 -1.74 0.00 0.00 39.64 38.44 1jtu n ILE 79 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 1jtu n TRP 80 N -2.67 2.95 -0.06 4.28 7.02 -1.26 -4.74 117.44 122.96 1jtu n TRP 80 Ca -0.01 -2.50 -0.21 0.00 -1.02 0.00 0.00 57.50 53.76 1jtu n TRP 80 Cb 0.58 -0.46 -0.13 0.00 -2.42 0.00 0.00 31.31 28.88 1jtu n TRP 80 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1jtu n ASP 81 N -0.68 2.05 -0.31 -0.99 8.00 -1.26 -4.07 116.55 119.29 1jtu n ASP 81 Ca 0.46 0.10 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1jtu n ASP 81 Cb 0.84 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1jtu n ASP 81 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jtu n GLU 82 N -3.50 0.43 0.00 -1.24 1.02 -1.26 -2.52 120.64 113.56 1jtu n GLU 82 Ca -0.38 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.76 1jtu n GLU 82 Cb 0.99 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 31.28 1jtu n GLU 82 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1jtu n TRP 83 N -0.02 0.00 -3.24 -0.32 8.01 -1.26 -5.07 117.44 115.55 1jtu n TRP 83 Ca 0.00 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.84 1jtu n TRP 83 Cb 0.07 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.31 1jtu n TRP 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1jtu s ALA 84 N 0.00 3.49 1.00 6.99 0.00 -1.05 -4.74 121.76 127.45 1jtu s ALA 84 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1jtu s ALA 84 Cb 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.46 1jtu s ALA 84 CO 0.00 0.40 0.00 -0.40 0.00 0.00 0.00 175.76 175.76 1jtu n ASP 85 N 0.59 -0.22 -0.15 0.00 5.68 -0.36 -4.76 116.55 117.34 1jtu n ASP 85 Ca -0.03 -0.24 -0.02 0.00 -0.50 0.00 0.00 54.79 54.00 1jtu n ASP 85 Cb 0.52 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.70 1jtu n ASP 85 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1jtu h GLU 86 N 0.00 0.87 0.00 0.11 4.81 -1.98 -2.21 114.58 116.18 1jtu h GLU 86 Ca 0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1jtu h GLU 86 Cb 0.00 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1jtu h GLU 86 CO 0.00 0.72 -0.17 0.09 -0.73 0.00 0.00 179.01 178.93 1jtu n ASN 87 N -4.31 0.53 0.00 1.04 4.13 -1.26 -4.92 115.26 110.47 1jtu n ASN 87 Ca 0.05 0.39 0.00 0.00 1.68 0.00 0.00 54.58 56.70 1jtu n ASN 87 Cb 0.18 -0.43 0.00 0.00 -1.54 0.00 0.00 39.78 37.99 1jtu n ASN 87 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jtu n GLY 88 N 1.39 0.38 3.78 7.41 0.00 -0.83 -4.93 105.19 112.38 1jtu n GLY 88 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1jtu n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jtu s ASP 89 N -2.75 5.89 -0.00 1.61 1.01 -1.26 -2.21 116.67 118.96 1jtu s ASP 89 Ca 0.00 2.07 0.04 0.00 0.71 0.00 0.00 52.55 55.37 1jtu s ASP 89 Cb 0.00 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 1jtu s ASP 89 CO 0.00 -1.10 0.15 0.18 0.21 0.00 0.00 175.17 174.61 1jtu n LEU 90 N -1.29 0.16 0.00 1.23 4.77 -1.13 -1.22 117.00 119.52 1jtu n LEU 90 Ca 0.11 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1jtu n LEU 90 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1jtu n LEU 90 CO 0.42 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1jtu n GLY 91 N 1.21 0.83 2.63 -0.72 0.00 -1.26 -0.21 105.19 107.67 1jtu n GLY 91 Ca 0.01 -2.12 -0.28 0.00 0.00 0.00 0.00 46.02 43.63 1jtu n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jtu n PRO 92 N 0.29 2.28 0.00 1.61 -0.04 -1.26 -4.80 135.00 133.09 1jtu n PRO 92 Ca 0.00 -1.65 0.00 0.00 -0.04 0.00 0.00 63.50 61.81 1jtu n PRO 92 Cb 0.00 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 1jtu n PRO 92 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1jtu n VAL 93 N 4.36 0.00 0.00 0.52 0.24 -1.26 -4.38 118.33 117.80 1jtu n VAL 93 Ca 0.50 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.80 1jtu n VAL 93 Cb 0.19 -1.56 0.00 0.00 -1.47 0.00 0.00 33.84 31.00 1jtu n VAL 93 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1jtu n TYR 94 N -1.08 0.00 -0.29 6.34 4.01 -1.26 -0.68 117.16 124.20 1jtu n TYR 94 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.85 1jtu n TYR 94 Cb 0.00 -0.07 0.25 0.00 -0.31 0.00 0.00 39.34 39.21 1jtu n TYR 94 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1jtu h GLY 95 N 0.00 1.18 0.96 2.72 0.00 -1.79 -0.79 103.07 105.35 1jtu h GLY 95 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1jtu h GLY 95 CO 0.00 -0.36 0.20 1.70 0.00 0.00 0.00 176.54 178.07 1jtu h LYS 96 N 0.14 0.50 -0.13 4.80 1.63 -1.10 -2.34 116.57 120.07 1jtu h LYS 96 Ca 0.51 -0.06 -0.12 0.00 -0.85 0.00 0.00 60.65 60.14 1jtu h LYS 96 Cb 1.01 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.53 1jtu h LYS 96 CO -0.70 0.42 -0.43 1.96 -3.45 0.00 0.00 179.45 177.25 1jtu h GLN 97 N 0.46 0.31 -0.19 1.90 1.08 -1.05 0.21 115.11 117.83 1jtu h GLN 97 Ca 0.13 -0.15 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 1jtu h GLN 97 Cb 0.06 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1jtu h GLN 97 CO -0.02 0.69 -0.12 -1.49 -0.95 0.00 0.00 178.83 176.94 1jtu h TRP 98 N 0.25 0.49 0.00 2.96 4.06 -1.06 -3.29 115.95 119.37 1jtu h TRP 98 Ca 0.02 -0.13 -0.14 0.00 2.06 0.00 0.00 58.89 60.71 1jtu h TRP 98 Cb 0.87 -0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 28.89 1jtu h TRP 98 CO 0.02 0.74 -1.53 0.54 -3.56 0.00 0.00 178.44 174.65 1jtu n ARG 99 N -4.54 0.63 -2.90 0.49 5.12 -0.89 -0.95 116.66 113.61 1jtu n ARG 99 Ca -0.05 0.12 -0.12 0.00 -1.93 0.00 0.00 57.85 55.87 1jtu n ARG 99 Cb 0.34 -1.74 -0.00 0.00 -1.16 0.00 0.00 32.46 29.90 1jtu n ARG 99 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jtu n ALA 100 N -2.38 -0.44 -2.08 7.54 0.00 0.74 -3.81 120.51 120.08 1jtu n ALA 100 Ca -0.10 -1.80 -0.43 0.00 0.00 0.00 0.00 53.44 51.12 1jtu n ALA 100 Cb 0.78 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 1jtu n ALA 100 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1jtu s TRP 101 N 0.39 2.11 -0.25 0.00 -0.11 0.39 -4.56 118.94 116.91 1jtu s TRP 101 Ca 0.32 0.39 -0.29 0.00 1.22 0.00 0.00 56.10 57.74 1jtu s TRP 101 Cb 0.12 -3.88 0.01 0.00 -1.50 0.00 0.00 33.47 28.22 1jtu s TRP 101 CO -0.16 -3.35 1.12 -1.25 -4.62 0.00 0.00 176.95 168.70 1jtu s PRO 102 N 4.16 4.17 0.70 5.86 0.04 -1.26 -1.15 135.00 147.51 1jtu s PRO 102 Ca 0.71 1.33 -0.11 0.00 0.04 0.00 0.00 61.00 62.97 1jtu s PRO 102 Cb -0.30 -3.72 0.02 0.00 0.04 0.00 0.00 34.50 30.55 1jtu s PRO 102 CO 0.28 -0.77 1.08 0.95 0.04 0.00 0.00 177.00 178.57 1jtu s THR 103 N 3.50 3.40 -1.23 1.26 -4.23 -0.78 -4.95 115.64 112.61 1jtu s THR 103 Ca 0.48 0.38 0.11 0.00 -1.18 0.00 0.00 61.69 61.47 1jtu s THR 103 Cb -0.16 -3.44 0.14 0.00 1.34 0.00 0.00 72.50 70.39 1jtu s THR 103 CO 0.12 -0.56 1.29 -2.65 -0.54 0.00 0.00 174.62 172.28 1jtu n PRO 104 N -2.97 0.08 -0.84 3.99 -0.02 -1.26 -3.25 135.00 130.74 1jtu n PRO 104 Ca 0.07 0.24 0.01 0.00 -2.02 0.00 0.00 63.50 61.80 1jtu n PRO 104 Cb 0.58 -1.50 0.18 0.00 -0.02 0.00 0.00 33.50 32.73 1jtu n PRO 104 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1jtu n ASP 105 N -1.38 2.22 0.00 2.55 5.75 -1.26 -5.00 116.55 119.43 1jtu n ASP 105 Ca 0.04 -3.87 0.00 0.00 -0.01 0.00 0.00 54.79 50.95 1jtu n ASP 105 Cb 0.10 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 1jtu n ASP 105 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jtu n GLY 106 N -1.04 2.26 3.62 6.12 0.00 -1.20 -5.03 105.19 109.92 1jtu n GLY 106 Ca 0.23 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 1jtu n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jtu s ARG 107 N 0.00 0.38 0.07 1.61 0.52 -1.26 -4.79 118.95 115.48 1jtu s ARG 107 Ca 0.00 1.12 0.07 0.00 -0.52 0.00 0.00 55.73 56.39 1jtu s ARG 107 Cb 0.00 -1.68 -0.03 0.00 0.52 0.00 0.00 34.95 33.76 1jtu s ARG 107 CO 0.00 -2.93 -0.18 -1.01 0.02 0.00 0.00 175.30 171.20 1jtu s HIS 108 N -2.65 1.54 -0.13 -0.53 3.76 -1.26 -1.87 115.29 114.15 1jtu s HIS 108 Ca 0.66 -0.41 0.03 0.00 -0.15 0.00 0.00 55.06 55.20 1jtu s HIS 108 Cb -0.22 -0.87 0.01 0.00 1.11 0.00 0.00 32.58 32.60 1jtu s HIS 108 CO 0.60 0.11 -0.22 0.42 -0.85 0.00 0.00 174.74 174.80 1jtu s ILE 109 N -1.06 2.04 -0.69 0.60 1.01 -0.30 -4.89 121.20 117.91 1jtu s ILE 109 Ca 0.04 -0.98 -0.17 0.00 0.00 0.00 0.00 60.65 59.53 1jtu s ILE 109 Cb -0.09 -1.79 0.14 0.00 0.01 0.00 0.00 42.46 40.72 1jtu s ILE 109 CO 0.03 0.55 0.76 -0.62 0.00 0.00 0.00 174.94 175.65 1jtu s ASP 110 N 0.70 6.38 0.39 3.58 -1.08 -1.25 -0.46 116.67 124.93 1jtu s ASP 110 Ca -0.10 -1.85 0.10 0.00 -0.52 0.00 0.00 52.55 50.17 1jtu s ASP 110 Cb -0.16 -2.28 0.80 0.00 -1.46 0.00 0.00 42.92 39.81 1jtu s ASP 110 CO 0.01 -0.96 1.92 1.56 0.52 0.00 0.00 175.17 178.22 1jtu h GLN 111 N 8.78 0.21 -0.02 4.34 4.20 -1.29 -1.02 115.11 130.32 1jtu h GLN 111 Ca -0.14 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 1jtu h GLN 111 Cb 1.07 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.82 1jtu h GLN 111 CO 1.02 0.36 -0.01 0.82 -0.67 0.00 0.00 178.83 180.35 1jtu h ILE 112 N 0.20 1.36 -0.60 2.54 1.08 -1.87 -0.46 117.51 119.76 1jtu h ILE 112 Ca 0.04 -1.09 0.02 0.00 -0.39 0.00 0.00 64.86 63.44 1jtu h ILE 112 Cb 0.38 2.07 -0.03 0.00 -3.07 0.00 0.00 36.82 36.17 1jtu h ILE 112 CO 0.02 0.29 0.38 0.74 -0.69 0.00 0.00 178.15 178.89 1jtu h THR 113 N -0.41 1.10 -0.43 -0.27 2.02 -1.84 0.03 112.91 113.11 1jtu h THR 113 Ca 0.00 -0.26 0.07 0.00 0.77 0.00 0.00 66.41 66.99 1jtu h THR 113 Cb 0.47 0.28 -0.06 0.00 -1.74 0.00 0.00 68.15 67.11 1jtu h THR 113 CO 0.00 0.14 0.07 0.74 0.37 0.00 0.00 175.52 176.85 1jtu h THR 114 N 0.76 0.76 -0.37 3.16 2.02 -1.08 -1.11 112.91 117.04 1jtu h THR 114 Ca 0.23 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 1jtu h THR 114 Cb -0.02 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1jtu h THR 114 CO -0.08 0.04 0.17 0.58 0.37 0.00 0.00 175.52 176.60 1jtu h VAL 115 N 0.20 1.17 -0.62 3.16 2.07 -0.53 -0.81 116.25 120.90 1jtu h VAL 115 Ca 0.21 -0.51 0.10 0.00 0.82 0.00 0.00 66.70 67.32 1jtu h VAL 115 Cb 0.27 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 1jtu h VAL 115 CO -0.28 0.19 0.23 0.25 0.02 0.00 0.00 177.57 177.97 1jtu h LEU 116 N 0.46 0.22 -0.83 2.57 7.12 -0.39 0.47 115.31 124.93 1jtu h LEU 116 Ca 0.13 0.08 -0.12 0.00 0.13 0.00 0.00 57.88 58.10 1jtu h LEU 116 Cb 0.14 0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.32 1jtu h LEU 116 CO -0.01 0.13 -0.53 0.78 -0.13 0.00 0.00 178.44 178.67 1jtu h ASN 117 N 0.40 0.16 -0.37 1.25 -0.26 -0.92 -2.47 115.58 113.38 1jtu h ASN 117 Ca 0.32 -0.08 -0.13 0.00 -0.56 0.00 0.00 56.30 55.85 1jtu h ASN 117 Cb 0.40 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.61 1jtu h ASN 117 CO -0.32 0.66 -0.27 1.56 -1.06 0.00 0.00 177.43 178.00 1jtu h GLN 118 N 0.11 0.83 0.00 0.81 4.20 -0.10 -0.84 115.11 120.13 1jtu h GLN 118 Ca 0.00 -0.40 -0.03 0.00 0.06 0.00 0.00 58.65 58.27 1jtu h GLN 118 Cb 0.98 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.75 1jtu h GLN 118 CO 0.08 1.04 -0.15 -0.07 -0.67 0.00 0.00 178.83 179.06 1jtu h LEU 119 N 0.63 0.00 0.00 1.46 3.38 -0.80 0.21 115.31 120.19 1jtu h LEU 119 Ca 0.07 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.79 1jtu h LEU 119 Cb 0.84 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 1jtu h LEU 119 CO 0.07 0.15 -1.86 0.29 0.09 0.00 0.00 178.44 177.18 1jtu n LYS 120 N -3.72 0.65 -0.00 1.13 5.02 -0.94 -4.36 118.16 115.93 1jtu n LYS 120 Ca -0.02 0.12 0.03 0.00 -2.02 0.00 0.00 58.31 56.42 1jtu n LYS 120 Cb 0.26 -1.68 -0.04 0.00 -0.02 0.00 0.00 35.03 33.55 1jtu n LYS 120 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jtu n ASN 121 N -2.82 2.67 -3.00 4.39 4.13 -0.34 -4.84 115.26 115.45 1jtu n ASN 121 Ca -0.18 -0.19 -0.15 0.00 1.68 0.00 0.00 54.58 55.73 1jtu n ASN 121 Cb 0.97 1.18 0.00 0.00 -1.54 0.00 0.00 39.78 40.39 1jtu n ASN 121 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1jtu n ASP 122 N -1.52 -0.77 0.31 6.41 2.03 0.72 -4.99 116.55 118.74 1jtu n ASP 122 Ca -0.00 -3.16 0.20 0.00 0.52 0.00 0.00 54.79 52.35 1jtu n ASP 122 Cb 0.13 0.44 0.97 0.00 -0.72 0.00 0.00 41.12 41.94 1jtu n ASP 122 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1jtu h PRO 123 N 3.41 0.00 -0.00 -0.67 0.13 -1.68 -2.31 132.00 130.87 1jtu h PRO 123 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1jtu h PRO 123 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1jtu h PRO 123 CO 0.37 0.00 -0.07 -0.25 -0.23 0.00 0.00 178.00 177.82 1jtu n ASP 124 N -3.09 0.09 -4.54 1.44 8.00 -1.26 -4.08 116.55 113.11 1jtu n ASP 124 Ca -0.01 0.21 -0.42 0.00 0.71 0.00 0.00 54.79 55.27 1jtu n ASP 124 Cb 0.18 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 1jtu n ASP 124 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1jtu n SER 125 N -1.42 0.45 -1.07 -2.24 2.88 -0.87 -4.88 113.62 106.47 1jtu n SER 125 Ca 0.09 1.03 0.08 0.00 -1.33 0.00 0.00 58.87 58.73 1jtu n SER 125 Cb 0.32 -1.24 0.27 0.00 -0.75 0.00 0.00 64.21 62.80 1jtu n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1jtu n ARG 126 N 0.44 3.27 -0.44 -1.46 1.74 -1.26 -4.37 116.66 114.57 1jtu n ARG 126 Ca 0.11 -2.68 0.07 0.00 -0.77 0.00 0.00 57.85 54.57 1jtu n ARG 126 Cb 0.37 -1.75 0.14 0.00 -1.02 0.00 0.00 32.46 30.21 1jtu n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1jtu n ARG 127 N 0.20 1.17 -2.67 5.56 1.74 -1.26 -4.94 116.66 116.46 1jtu n ARG 127 Ca 0.20 -2.66 -0.42 0.00 -0.77 0.00 0.00 57.85 54.19 1jtu n ARG 127 Cb 0.80 -1.32 -0.02 0.00 -1.02 0.00 0.00 32.46 30.91 1jtu n ARG 127 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1jtu s ILE 128 N -2.49 4.25 0.05 0.55 1.01 -1.26 -4.91 121.20 118.39 1jtu s ILE 128 Ca 0.31 -1.50 0.04 0.00 0.00 0.00 0.00 60.65 59.51 1jtu s ILE 128 Cb 0.30 -5.04 -0.02 0.00 0.01 0.00 0.00 42.46 37.70 1jtu s ILE 128 CO -0.03 -1.86 -0.12 -0.63 0.00 0.00 0.00 174.94 172.30 1jtu s ILE 129 N 3.96 0.89 -0.06 2.92 1.01 -1.26 -0.44 121.20 128.22 1jtu s ILE 129 Ca 0.46 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1jtu s ILE 129 Cb 0.00 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.63 1jtu s ILE 129 CO -0.03 -0.19 -0.05 0.54 0.00 0.00 0.00 174.94 175.21 1jtu s VAL 130 N -1.12 0.63 -0.01 2.92 0.11 -0.78 -4.92 120.40 117.23 1jtu s VAL 130 Ca -0.03 -0.12 0.06 0.00 -2.93 0.00 0.00 61.98 58.96 1jtu s VAL 130 Cb -0.09 -0.68 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 1jtu s VAL 130 CO 0.01 0.27 -0.20 -0.55 -3.33 0.00 0.00 175.10 171.30 1jtu s SER 131 N 1.27 3.60 0.00 3.54 0.15 -1.26 -2.31 113.70 118.69 1jtu s SER 131 Ca -0.05 -0.36 0.14 0.00 0.70 0.00 0.00 55.95 56.38 1jtu s SER 131 Cb -0.14 -0.59 0.02 0.00 -1.71 0.00 0.00 66.02 63.60 1jtu s SER 131 CO -0.02 0.31 0.82 0.00 1.20 0.00 0.00 173.24 175.55 1jtu n ALA 132 N 2.15 2.91 -2.41 5.45 0.00 0.11 -4.69 120.51 124.03 1jtu n ALA 132 Ca -0.17 -0.53 -0.43 0.00 0.00 0.00 0.00 53.44 52.32 1jtu n ALA 132 Cb 0.52 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1jtu n ALA 132 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1jtu n TRP 133 N 0.07 3.65 -2.86 0.00 -0.00 -1.23 -4.82 117.44 112.26 1jtu n TRP 133 Ca 0.06 -2.96 -0.43 0.00 -0.00 0.00 0.00 57.50 54.17 1jtu n TRP 133 Cb 0.31 -2.15 -0.03 0.00 -0.00 0.00 0.00 31.31 29.44 1jtu n TRP 133 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1jtu s ASN 134 N 1.96 6.57 0.34 5.87 3.04 -1.26 -4.88 114.94 126.57 1jtu s ASN 134 Ca 0.43 -1.87 0.12 0.00 0.04 0.00 0.00 52.86 51.58 1jtu s ASN 134 Cb 0.07 -2.43 1.05 0.00 -1.54 0.00 0.00 41.25 38.40 1jtu s ASN 134 CO -0.00 -1.17 1.61 0.58 -3.04 0.00 0.00 177.10 175.08 1jtu h VAL 135 N 6.01 0.13 0.00 -5.21 2.07 -2.02 0.10 116.25 117.34 1jtu h VAL 135 Ca 0.13 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1jtu h VAL 135 Cb 1.03 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1jtu h VAL 135 CO 1.17 0.02 0.00 0.61 0.02 0.00 0.00 177.57 179.39 1jtu n GLY 136 N -1.34 -0.78 0.01 2.17 0.00 -1.26 -2.95 105.19 101.04 1jtu n GLY 136 Ca 0.30 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1jtu n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jtu n GLU 137 N -1.83 1.42 -0.08 1.61 1.02 0.34 -4.83 120.64 118.29 1jtu n GLU 137 Ca 0.00 -1.02 0.08 0.00 -0.02 0.00 0.00 57.16 56.20 1jtu n GLU 137 Cb 0.06 -0.75 0.44 0.00 -0.02 0.00 0.00 31.44 31.17 1jtu n GLU 137 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1jtu h LEU 138 N 0.00 0.48 -0.97 -4.62 3.38 -1.40 -1.23 115.31 110.95 1jtu h LEU 138 Ca 0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1jtu h LEU 138 Cb 0.78 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1jtu h LEU 138 CO 0.00 0.31 -0.12 -2.24 0.09 0.00 0.00 178.44 176.49 1jtu h ASP 139 N 0.55 0.00 -0.19 -0.43 -0.00 -1.88 -2.80 116.42 111.67 1jtu h ASP 139 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.27 1jtu h ASP 139 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.59 1jtu h ASP 139 CO -0.07 0.12 0.00 0.29 -0.00 0.00 0.00 179.24 179.58 1jtu n LYS 140 N -3.21 1.60 -4.06 4.15 5.02 -0.47 -4.87 118.16 116.31 1jtu n LYS 140 Ca 0.01 -0.91 -0.34 0.00 -2.02 0.00 0.00 58.31 55.05 1jtu n LYS 140 Cb 0.42 -1.31 -0.07 0.00 -0.02 0.00 0.00 35.03 34.05 1jtu n LYS 140 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1jtu s MET 141 N -1.76 3.18 0.39 1.97 -1.94 -1.06 -3.98 119.30 116.10 1jtu s MET 141 Ca 0.26 -0.39 0.14 0.00 -1.71 0.00 0.00 55.69 53.99 1jtu s MET 141 Cb 0.14 -2.95 0.78 0.00 2.01 0.00 0.00 34.83 34.81 1jtu s MET 141 CO 0.20 0.68 1.85 0.00 -0.01 0.00 0.00 175.02 177.75 1jtu h ALA 142 N 4.33 1.40 -2.37 3.03 0.00 -0.91 -3.43 119.26 121.32 1jtu h ALA 142 Ca -0.50 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.04 1jtu h ALA 142 Cb 1.19 -0.05 -0.24 0.00 0.00 0.00 0.00 17.79 18.69 1jtu h ALA 142 CO 0.62 0.43 -0.17 -1.17 0.00 0.00 0.00 179.25 178.95 1jtu s LEU 143 N -8.17 -0.49 0.36 0.00 2.96 -1.26 -5.07 118.68 107.02 1jtu s LEU 143 Ca -0.03 1.16 -0.28 0.00 -0.22 0.00 0.00 54.13 54.76 1jtu s LEU 143 Cb 0.14 1.78 -0.11 0.00 0.50 0.00 0.00 46.19 48.51 1jtu s LEU 143 CO 0.72 -0.21 1.42 0.00 -1.32 0.00 0.00 176.35 176.95 1jtu s ALA 144 N 1.59 3.55 0.20 5.97 0.00 -1.26 -4.88 121.76 126.92 1jtu s ALA 144 Ca -0.09 1.46 -0.32 0.00 0.00 0.00 0.00 51.96 53.01 1jtu s ALA 144 Cb -0.07 -3.56 -0.15 0.00 0.00 0.00 0.00 23.12 19.33 1jtu s ALA 144 CO -0.16 -0.90 1.14 -2.30 0.00 0.00 0.00 175.76 173.54 1jtu n PRO 145 N 0.62 1.23 -0.09 0.00 -0.02 -1.26 -4.91 135.00 130.57 1jtu n PRO 145 Ca 0.01 0.44 -0.12 0.00 -2.02 0.00 0.00 63.50 61.80 1jtu n PRO 145 Cb 0.40 -1.91 -0.06 0.00 -0.02 0.00 0.00 33.50 31.91 1jtu n PRO 145 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jtu s HIS 147 N -2.34 2.81 -0.14 0.00 0.00 -1.26 -1.94 115.29 112.43 1jtu s HIS 147 Ca -0.22 -0.49 0.12 0.00 -3.00 0.00 0.00 55.06 51.48 1jtu s HIS 147 Cb 0.04 -4.07 -0.18 0.00 -4.00 0.00 0.00 32.58 24.37 1jtu s HIS 147 CO 0.38 -1.42 0.32 0.00 -1.00 0.00 0.00 174.74 173.01 1jtu n ALA 148 N 7.19 2.69 -3.67 -1.38 0.00 -0.96 -4.86 120.51 119.51 1jtu n ALA 148 Ca -0.04 -0.30 -0.12 0.00 0.00 0.00 0.00 53.44 52.98 1jtu n ALA 148 Cb 0.45 -0.42 -0.12 0.00 0.00 0.00 0.00 19.45 19.36 1jtu n ALA 148 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1jtu s PHE 149 N -2.69 -0.50 0.04 0.00 2.19 -1.18 -0.72 117.98 115.13 1jtu s PHE 149 Ca -0.03 1.08 0.02 0.00 0.33 0.00 0.00 56.93 58.34 1jtu s PHE 149 Cb 0.08 0.06 -0.02 0.00 -1.31 0.00 0.00 43.02 41.82 1jtu s PHE 149 CO 0.50 -0.37 -0.08 -0.59 1.83 0.00 0.00 175.22 176.51 1jtu s PHE 150 N 2.30 0.71 -0.02 10.12 -0.71 -0.98 0.37 117.98 129.78 1jtu s PHE 150 Ca -0.01 -0.49 0.05 0.00 -1.04 0.00 0.00 56.93 55.44 1jtu s PHE 150 Cb -0.12 -0.42 -0.01 0.00 -1.21 0.00 0.00 43.02 41.26 1jtu s PHE 150 CO -0.10 -0.07 -0.16 -1.14 -1.34 0.00 0.00 175.22 172.41 1jtu s GLN 151 N -1.56 1.36 0.09 1.99 0.74 -0.28 -1.87 119.66 120.13 1jtu s GLN 151 Ca -0.09 -0.58 0.01 0.00 0.05 0.00 0.00 55.36 54.75 1jtu s GLN 151 Cb -0.10 -1.30 -0.04 0.00 1.10 0.00 0.00 33.01 32.67 1jtu s GLN 151 CO 0.01 0.33 0.23 -0.06 -0.55 0.00 0.00 175.29 175.25 1jtu s PHE 152 N -0.32 3.50 -0.10 1.67 0.08 0.41 -1.22 117.98 122.00 1jtu s PHE 152 Ca 0.05 0.20 -0.09 0.00 0.12 0.00 0.00 56.93 57.21 1jtu s PHE 152 Cb -0.07 -1.72 0.03 0.00 -0.57 0.00 0.00 43.02 40.69 1jtu s PHE 152 CO -0.00 0.56 0.25 -0.47 -0.10 0.00 0.00 175.22 175.46 1jtu s TYR 153 N -1.59 -0.29 0.00 0.36 5.04 -0.56 -4.49 117.35 115.83 1jtu s TYR 153 Ca 0.35 0.69 0.08 0.00 -2.44 0.00 0.00 57.07 55.75 1jtu s TYR 153 Cb -0.12 0.09 -0.02 0.00 0.35 0.00 0.00 41.96 42.26 1jtu s TYR 153 CO 0.28 -0.14 -0.26 0.08 -1.34 0.00 0.00 175.55 174.17 1jtu s VAL 154 N 0.22 2.03 -0.28 3.14 1.01 -1.26 -0.53 120.40 124.73 1jtu s VAL 154 Ca -0.01 -1.18 -0.19 0.00 0.00 0.00 0.00 61.98 60.61 1jtu s VAL 154 Cb -0.02 -1.70 0.12 0.00 0.00 0.00 0.00 36.38 34.77 1jtu s VAL 154 CO -0.00 0.50 0.90 0.00 0.00 0.00 0.00 175.10 176.49 1jtu s ALA 155 N -0.66 -2.06 -1.58 5.51 0.00 -0.75 -4.87 121.76 117.34 1jtu s ALA 155 Ca 0.10 2.16 -0.11 0.00 0.00 0.00 0.00 51.96 54.12 1jtu s ALA 155 Cb -0.10 -1.53 0.09 0.00 0.00 0.00 0.00 23.12 21.58 1jtu s ALA 155 CO -0.00 -0.33 0.61 -0.25 0.00 0.00 0.00 175.76 175.79 1jtu n ASP 156 N 3.39 -1.99 0.00 0.00 8.00 -1.26 -0.09 116.55 124.60 1jtu n ASP 156 Ca -0.17 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.31 1jtu n ASP 156 Cb 0.57 -2.83 0.00 0.00 -0.02 0.00 0.00 41.12 38.84 1jtu n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jtu n GLY 157 N -1.69 0.33 3.75 0.44 0.00 -1.26 -4.99 105.19 101.76 1jtu n GLY 157 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1jtu n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jtu s LYS 158 N -0.84 3.58 -0.38 1.61 1.02 0.87 -1.32 119.74 124.29 1jtu s LYS 158 Ca 0.00 -0.26 -0.13 0.00 0.02 0.00 0.00 55.97 55.60 1jtu s LYS 158 Cb 0.00 -3.14 0.01 0.00 -0.52 0.00 0.00 37.83 34.18 1jtu s LYS 158 CO 0.00 0.56 0.25 -1.17 -0.92 0.00 0.00 175.35 174.07 1jtu s LEU 159 N -0.43 4.79 0.34 3.17 2.96 0.96 -1.81 118.68 128.65 1jtu s LEU 159 Ca 0.10 -0.76 0.07 0.00 -0.22 0.00 0.00 54.13 53.33 1jtu s LEU 159 Cb -0.12 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1jtu s LEU 159 CO 0.02 -0.36 0.31 -0.44 -1.32 0.00 0.00 176.35 174.56 1jtu s SER 160 N 1.66 5.29 -0.18 3.68 0.01 0.31 -1.05 113.70 123.43 1jtu s SER 160 Ca 0.05 -0.51 -0.11 0.00 1.31 0.00 0.00 55.95 56.69 1jtu s SER 160 Cb -0.18 -0.94 0.06 0.00 0.21 0.00 0.00 66.02 65.16 1jtu s SER 160 CO 0.09 -0.39 0.44 0.00 0.41 0.00 0.00 173.24 173.79 1jtu s GLN 162 N 1.10 3.02 -0.07 0.00 0.74 -0.36 -0.13 119.66 123.97 1jtu s GLN 162 Ca -0.07 -0.75 0.02 0.00 0.05 0.00 0.00 55.36 54.60 1jtu s GLN 162 Cb -0.07 -2.45 -0.03 0.00 1.10 0.00 0.00 33.01 31.56 1jtu s GLN 162 CO -0.10 0.32 -0.11 -1.17 -0.55 0.00 0.00 175.29 173.68 1jtu s LEU 163 N 0.05 2.93 -0.28 3.68 0.20 0.07 -1.13 118.68 124.19 1jtu s LEU 163 Ca -0.07 -0.14 -0.06 0.00 0.69 0.00 0.00 54.13 54.55 1jtu s LEU 163 Cb -0.15 -1.63 0.00 0.00 -0.43 0.00 0.00 46.19 43.99 1jtu s LEU 163 CO 0.05 0.32 0.06 -0.47 -0.29 0.00 0.00 176.35 176.02 1jtu s TYR 164 N -0.55 3.12 -0.31 5.38 5.04 0.16 -1.23 117.35 128.95 1jtu s TYR 164 Ca 0.08 -0.92 -0.03 0.00 -2.44 0.00 0.00 57.07 53.76 1jtu s TYR 164 Cb -0.12 -2.23 0.05 0.00 0.35 0.00 0.00 41.96 40.01 1jtu s TYR 164 CO 0.02 -0.55 0.03 -1.14 -1.34 0.00 0.00 175.55 172.56 1jtu s GLN 165 N 1.51 2.44 0.34 4.97 0.74 0.12 -2.27 119.66 127.51 1jtu s GLN 165 Ca 0.03 -1.28 0.13 0.00 0.05 0.00 0.00 55.36 54.30 1jtu s GLN 165 Cb -0.17 -3.25 0.62 0.00 1.10 0.00 0.00 33.01 31.32 1jtu s GLN 165 CO 0.02 -0.65 1.75 0.07 -0.55 0.00 0.00 175.29 175.93 1jtu h ARG 166 N 8.04 0.00 -3.70 1.67 0.11 -1.68 0.75 114.38 119.56 1jtu h ARG 166 Ca -0.21 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.53 1jtu h ARG 166 Cb 1.06 0.00 -0.34 0.00 1.11 0.00 0.00 29.97 31.80 1jtu h ARG 166 CO 0.55 0.45 -0.75 0.45 0.10 0.00 0.00 179.97 180.77 1jtu s SER 167 N -6.80 0.43 -0.04 0.08 0.15 -1.25 -0.56 113.70 105.70 1jtu s SER 167 Ca -0.02 -0.02 -0.02 0.00 0.70 0.00 0.00 55.95 56.59 1jtu s SER 167 Cb 0.13 -0.21 0.03 0.00 -1.71 0.00 0.00 66.02 64.26 1jtu s SER 167 CO 0.73 -0.10 0.05 0.00 1.20 0.00 0.00 173.24 175.11 1jtu s ASP 169 N 2.00 6.35 0.28 0.00 -1.08 -1.26 -0.81 116.67 122.15 1jtu s ASP 169 Ca 0.03 -1.25 0.02 0.00 -0.52 0.00 0.00 52.55 50.83 1jtu s ASP 169 Cb -0.12 -2.47 0.65 0.00 -1.46 0.00 0.00 42.92 39.52 1jtu s ASP 169 CO -0.03 -1.43 1.72 0.58 0.52 0.00 0.00 175.17 176.53 1jtu h VAL 170 N 6.11 0.57 0.02 1.11 2.07 -0.94 -1.72 116.25 123.47 1jtu h VAL 170 Ca -0.08 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 1jtu h VAL 170 Cb 1.04 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1jtu h VAL 170 CO 1.23 0.09 -0.20 0.15 0.02 0.00 0.00 177.57 178.85 1jtu h PHE 171 N 0.48 0.16 0.00 1.57 3.04 -1.91 -3.34 116.94 116.93 1jtu h PHE 171 Ca 0.52 -0.10 -0.04 0.00 3.98 0.00 0.00 57.97 62.33 1jtu h PHE 171 Cb 0.91 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.40 1jtu h PHE 171 CO -0.12 1.01 -0.43 -0.07 -2.02 0.00 0.00 178.31 176.68 1jtu h LEU 172 N -0.74 0.00 0.02 0.59 3.38 -1.95 -3.43 115.31 113.18 1jtu h LEU 172 Ca -0.03 -0.22 -0.19 0.00 0.09 0.00 0.00 57.88 57.53 1jtu h LEU 172 Cb 1.08 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.85 1jtu h LEU 172 CO 0.04 0.84 -0.77 1.23 0.09 0.00 0.00 178.44 179.87 1jtu h GLY 173 N -1.00 0.55 -0.19 0.83 0.00 -1.63 -3.37 103.07 98.25 1jtu h GLY 173 Ca -0.06 -1.00 0.23 0.00 0.00 0.00 0.00 47.33 46.50 1jtu h GLY 173 CO -0.04 0.88 0.48 -2.00 0.00 0.00 0.00 176.54 175.86 1jtu h LEU 174 N 0.03 0.47 -0.47 3.11 5.85 -1.46 -0.45 115.31 122.39 1jtu h LEU 174 Ca -0.10 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1jtu h LEU 174 Cb 1.47 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.58 1jtu h LEU 174 CO 0.15 0.03 0.22 -0.65 -0.34 0.00 0.00 178.44 177.85 1jtu h PRO 175 N 0.47 0.68 -0.11 5.25 0.11 -1.77 -2.13 132.00 134.49 1jtu h PRO 175 Ca 0.60 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 66.59 1jtu h PRO 175 Cb 1.15 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1jtu h PRO 175 CO -0.51 0.58 -0.00 0.74 -0.21 0.00 0.00 178.00 178.60 1jtu h PHE 176 N 0.61 0.20 -0.19 0.65 0.05 -1.38 -2.95 116.94 113.94 1jtu h PHE 176 Ca 0.16 -0.04 0.04 0.00 3.82 0.00 0.00 57.97 61.96 1jtu h PHE 176 Cb 0.14 -0.05 -0.05 0.00 2.00 0.00 0.00 35.95 37.99 1jtu h PHE 176 CO -0.01 0.44 -0.09 -0.91 -0.18 0.00 0.00 178.31 177.56 1jtu h ASN 177 N -0.09 -0.31 0.10 2.17 -0.26 -1.10 0.69 115.58 116.78 1jtu h ASN 177 Ca 0.03 0.08 0.02 0.00 -0.56 0.00 0.00 56.30 55.87 1jtu h ASN 177 Cb 0.35 0.18 -0.04 0.00 -1.06 0.00 0.00 38.32 37.75 1jtu h ASN 177 CO 0.01 -0.12 -0.33 0.40 -1.06 0.00 0.00 177.43 176.32 1jtu h ILE 178 N -0.07 0.29 -0.77 2.81 2.04 -1.42 -2.16 117.51 118.23 1jtu h ILE 178 Ca 0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1jtu h ILE 178 Cb 0.23 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 1jtu h ILE 178 CO -0.24 0.00 0.45 0.00 0.00 0.00 0.00 178.15 178.36 1jtu h ALA 179 N 0.10 1.35 -0.42 1.87 0.00 -1.33 -1.76 119.26 119.07 1jtu h ALA 179 Ca 0.04 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1jtu h ALA 179 Cb 0.59 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1jtu h ALA 179 CO -0.21 0.55 0.15 1.03 0.00 0.00 0.00 179.25 180.77 1jtu h SER 180 N 1.06 0.16 -0.00 0.00 0.87 -0.26 0.02 113.55 115.40 1jtu h SER 180 Ca 0.28 0.05 -0.25 0.00 -1.23 0.00 0.00 61.79 60.63 1jtu h SER 180 Cb -0.03 0.03 0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1jtu h SER 180 CO -0.05 0.12 -0.98 1.88 -0.53 0.00 0.00 176.83 177.27 1jtu h TYR 181 N 0.31 1.02 -0.90 2.24 0.05 -1.21 -2.24 116.97 116.24 1jtu h TYR 181 Ca 0.19 -0.53 0.11 0.00 0.05 0.00 0.00 58.73 58.55 1jtu h TYR 181 Cb 0.18 -0.13 -0.07 0.00 1.01 0.00 0.00 36.73 37.73 1jtu h TYR 181 CO -0.15 1.37 0.58 0.00 -1.05 0.00 0.00 178.16 178.91 1jtu h ALA 182 N 0.47 1.67 -0.03 3.88 0.00 -1.14 0.13 119.26 124.23 1jtu h ALA 182 Ca -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jtu h ALA 182 Cb 1.63 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1jtu h ALA 182 CO 0.19 0.13 0.01 1.25 0.00 0.00 0.00 179.25 180.83 1jtu h LEU 183 N 0.85 0.05 -0.49 0.00 6.46 -0.85 -2.63 115.31 118.71 1jtu h LEU 183 Ca 0.43 -0.22 0.06 0.00 -0.12 0.00 0.00 57.88 58.02 1jtu h LEU 183 Cb 0.48 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.35 1jtu h LEU 183 CO -0.19 0.26 0.19 0.25 -0.62 0.00 0.00 178.44 178.33 1jtu h LEU 184 N -0.17 0.21 -1.03 2.25 5.85 -0.43 -1.56 115.31 120.44 1jtu h LEU 184 Ca 0.01 0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.90 1jtu h LEU 184 Cb 0.23 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.20 1jtu h LEU 184 CO 0.00 0.15 0.63 0.58 -0.34 0.00 0.00 178.44 179.46 1jtu h VAL 185 N 0.38 0.91 -0.50 1.05 2.07 -0.70 0.26 116.25 119.72 1jtu h VAL 185 Ca 0.23 -0.33 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 1jtu h VAL 185 Cb 0.22 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 1jtu h VAL 185 CO -0.22 0.18 -0.13 0.45 0.02 0.00 0.00 177.57 177.87 1jtu h HIS 186 N 0.97 1.06 -0.51 1.57 3.86 -0.94 -0.29 115.15 120.87 1jtu h HIS 186 Ca 0.49 -0.22 -0.12 0.00 -1.16 0.00 0.00 60.37 59.37 1jtu h HIS 186 Cb 0.51 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 1jtu h HIS 186 CO -0.00 1.01 -0.13 0.52 0.86 0.00 0.00 177.93 180.18 1jtu h MET 187 N 0.84 0.99 -0.43 2.45 2.07 -0.25 -1.98 114.93 118.63 1jtu h MET 187 Ca 0.13 -0.38 -0.07 0.00 -2.07 0.00 0.00 59.70 57.30 1jtu h MET 187 Cb 0.67 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 30.34 1jtu h MET 187 CO 0.05 1.06 -0.02 0.52 1.07 0.00 0.00 176.91 179.59 1jtu h MET 188 N 0.85 0.77 -0.58 1.72 2.86 -0.44 -2.58 114.93 117.53 1jtu h MET 188 Ca 0.13 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1jtu h MET 188 Cb 0.70 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 1jtu h MET 188 CO 0.05 0.85 0.35 0.00 1.06 0.00 0.00 176.91 179.22 1jtu h ALA 189 N 0.89 0.75 -0.73 6.32 0.00 -0.95 -2.60 119.26 122.94 1jtu h ALA 189 Ca 0.12 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1jtu h ALA 189 Cb 0.51 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1jtu h ALA 189 CO 0.03 0.23 0.21 0.37 0.00 0.00 0.00 179.25 180.09 1jtu h GLN 190 N 0.79 1.14 0.00 0.00 4.15 -1.27 -1.54 115.11 118.38 1jtu h GLN 190 Ca 0.21 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1jtu h GLN 190 Cb -0.01 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.52 1jtu h GLN 190 CO -0.04 0.98 0.00 1.04 -1.93 0.00 0.00 178.83 178.88 1jtu n GLN 191 N -4.26 0.19 -0.81 1.69 1.13 -0.98 -3.24 117.38 111.10 1jtu n GLN 191 Ca 0.06 0.11 0.05 0.00 -1.94 0.00 0.00 57.00 55.28 1jtu n GLN 191 Cb 0.24 -1.50 0.12 0.00 0.11 0.00 0.00 30.24 29.21 1jtu n GLN 191 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jtu n ASP 193 N -0.53 -1.85 -4.25 0.00 9.92 -0.75 -4.92 116.55 114.16 1jtu n ASP 193 Ca 0.13 -0.87 -0.15 0.00 -0.53 0.00 0.00 54.79 53.37 1jtu n ASP 193 Cb 0.83 -1.05 -0.10 0.00 -0.64 0.00 0.00 41.12 40.16 1jtu n ASP 193 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1jtu s LEU 194 N -6.48 2.52 0.28 0.64 1.43 -0.66 -5.06 118.68 111.34 1jtu s LEU 194 Ca 0.25 -0.99 -0.04 0.00 -1.03 0.00 0.00 54.13 52.32 1jtu s LEU 194 Cb -0.14 -0.39 -0.05 0.00 0.03 0.00 0.00 46.19 45.64 1jtu s LEU 194 CO 0.65 -0.30 0.53 -0.70 0.23 0.00 0.00 176.35 176.77 1jtu s GLU 195 N -3.60 3.61 0.39 1.70 2.12 -0.44 -4.42 118.70 118.07 1jtu s GLU 195 Ca 0.16 -0.05 -0.25 0.00 0.36 0.00 0.00 54.97 55.19 1jtu s GLU 195 Cb 0.01 -2.68 -0.09 0.00 0.26 0.00 0.00 34.13 31.64 1jtu s GLU 195 CO 0.01 0.24 1.07 0.14 -0.54 0.00 0.00 175.26 176.18 1jtu s VAL 196 N -2.06 3.63 0.00 3.70 -7.23 -1.26 -0.03 120.40 117.16 1jtu s VAL 196 Ca 0.43 1.29 0.00 0.00 -1.81 0.00 0.00 61.98 61.89 1jtu s VAL 196 Cb -0.11 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.14 1jtu s VAL 196 CO 0.30 0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.75 1jtu n GLY 197 N 0.46 1.77 3.89 2.32 0.00 -0.22 -4.58 105.19 108.83 1jtu n GLY 197 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1jtu n GLY 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jtu s ASP 198 N 0.80 6.20 -0.25 1.61 1.01 -1.26 -1.62 116.67 123.16 1jtu s ASP 198 Ca 0.00 0.23 -0.01 0.00 0.71 0.00 0.00 52.55 53.49 1jtu s ASP 198 Cb 0.00 -1.88 0.04 0.00 1.01 0.00 0.00 42.92 42.09 1jtu s ASP 198 CO 0.00 0.19 -0.07 0.12 0.21 0.00 0.00 175.17 175.62 1jtu s PHE 199 N -1.44 3.11 -0.26 4.23 5.36 0.17 -1.13 117.98 128.02 1jtu s PHE 199 Ca 0.32 -1.75 -0.09 0.00 -0.96 0.00 0.00 56.93 54.45 1jtu s PHE 199 Cb -0.13 -2.03 -0.04 0.00 -0.34 0.00 0.00 43.02 40.49 1jtu s PHE 199 CO 0.25 -0.78 0.11 0.08 -1.46 0.00 0.00 175.22 173.43 1jtu s VAL 200 N 1.27 4.70 -0.20 3.12 1.01 0.82 -0.40 120.40 130.73 1jtu s VAL 200 Ca -0.02 -0.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 1jtu s VAL 200 Cb -0.17 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1jtu s VAL 200 CO -0.05 0.31 0.07 0.86 0.00 0.00 0.00 175.10 176.29 1jtu s TRP 201 N 1.62 3.22 -0.08 5.22 -0.00 0.80 -0.75 118.94 128.97 1jtu s TRP 201 Ca 0.06 -0.00 0.03 0.00 -0.00 0.00 0.00 56.10 56.20 1jtu s TRP 201 Cb -0.15 -2.11 0.01 0.00 -0.00 0.00 0.00 33.47 31.21 1jtu s TRP 201 CO 0.06 0.06 -0.17 0.99 -0.00 0.00 0.00 176.95 177.89 1jtu s THR 202 N 0.61 1.51 0.12 5.86 2.01 -0.37 -0.34 115.64 125.05 1jtu s THR 202 Ca 0.03 -0.70 0.11 0.00 0.31 0.00 0.00 61.69 61.44 1jtu s THR 202 Cb -0.13 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.00 1jtu s THR 202 CO 0.01 0.44 -0.27 -0.83 -0.69 0.00 0.00 174.62 173.28 1jtu s GLY 203 N 0.50 1.55 0.00 4.40 0.00 -0.13 -0.70 107.32 112.94 1jtu s GLY 203 Ca -0.16 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.13 1jtu s GLY 203 CO 0.06 -1.40 0.00 0.61 0.00 0.00 0.00 173.10 172.36 1jtu n GLY 204 N 1.04 0.96 3.51 0.20 0.00 0.26 -2.93 105.19 108.23 1jtu n GLY 204 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1jtu n GLY 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jtu s ASP 205 N -1.00 6.22 -0.30 1.61 -1.08 0.28 -2.06 116.67 120.34 1jtu s ASP 205 Ca 0.00 -0.84 -0.14 0.00 -0.52 0.00 0.00 52.55 51.05 1jtu s ASP 205 Cb 0.00 -2.50 -0.03 0.00 -1.46 0.00 0.00 42.92 38.94 1jtu s ASP 205 CO 0.00 -1.61 0.34 -0.89 0.52 0.00 0.00 175.17 173.52 1jtu s THR 206 N 4.84 5.20 0.22 1.71 2.01 -0.44 -1.36 115.64 127.82 1jtu s THR 206 Ca 0.31 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.59 1jtu s THR 206 Cb -0.11 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 1jtu s THR 206 CO 0.10 0.07 0.08 -1.38 -0.69 0.00 0.00 174.62 172.79 1jtu s HIS 207 N 1.99 1.36 -0.10 4.92 -3.43 0.01 -1.33 115.29 118.71 1jtu s HIS 207 Ca 0.12 -1.17 -0.01 0.00 -0.80 0.00 0.00 55.06 53.20 1jtu s HIS 207 Cb -0.16 -0.77 0.03 0.00 -1.43 0.00 0.00 32.58 30.25 1jtu s HIS 207 CO 0.11 -0.36 -0.04 -1.17 -2.00 0.00 0.00 174.74 171.28 1jtu s LEU 208 N -3.24 0.92 0.41 5.38 2.96 -0.14 -0.16 118.68 124.80 1jtu s LEU 208 Ca 0.34 -0.22 -0.25 0.00 -0.22 0.00 0.00 54.13 53.78 1jtu s LEU 208 Cb 0.07 -0.66 -0.08 0.00 0.50 0.00 0.00 46.19 46.02 1jtu s LEU 208 CO 0.10 -0.16 1.19 -0.31 -1.32 0.00 0.00 176.35 175.86 1jtu s TYR 209 N 1.83 3.00 0.41 5.38 2.02 -1.26 -0.95 117.35 127.78 1jtu s TYR 209 Ca 0.05 1.53 0.18 0.00 -0.37 0.00 0.00 57.07 58.46 1jtu s TYR 209 Cb -0.13 -3.45 1.10 0.00 -0.40 0.00 0.00 41.96 39.09 1jtu s TYR 209 CO -0.07 -1.49 1.81 0.77 -1.57 0.00 0.00 175.55 175.00 1jtu h SER 210 N 2.59 0.42 -0.66 2.29 0.02 -1.64 -1.05 113.55 115.52 1jtu h SER 210 Ca -0.49 0.06 -0.40 0.00 -0.84 0.00 0.00 61.79 60.12 1jtu h SER 210 Cb 1.24 -0.01 -0.20 0.00 0.14 0.00 0.00 62.40 63.57 1jtu h SER 210 CO 0.62 0.12 0.51 -0.46 -1.14 0.00 0.00 176.83 176.49 1jtu n ASN 211 N -4.56 5.28 0.00 3.07 6.94 -1.26 -3.57 115.26 121.16 1jtu n ASN 211 Ca 0.23 -3.20 0.00 0.00 -0.02 0.00 0.00 54.58 51.58 1jtu n ASN 211 Cb 0.80 -0.88 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 1jtu n ASN 211 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1jtu n HIS 212 N -0.34 0.00 -0.24 -2.53 8.25 -0.40 -4.72 115.22 115.24 1jtu n HIS 212 Ca 0.41 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.85 1jtu n HIS 212 Cb 0.93 0.00 0.05 0.00 1.12 0.00 0.00 29.99 32.09 1jtu n HIS 212 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1jtu h MET 213 N 0.00 -0.07 0.05 -0.41 2.86 -1.66 0.20 114.93 115.90 1jtu h MET 213 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1jtu h MET 213 Cb 0.06 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1jtu h MET 213 CO 0.00 -0.05 -0.02 -0.44 1.06 0.00 0.00 176.91 177.46 1jtu h ASP 214 N -0.07 -0.05 -0.89 1.22 3.32 -1.88 -0.77 116.42 117.29 1jtu h ASP 214 Ca 0.30 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.36 1jtu h ASP 214 Cb 0.55 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 1jtu h ASP 214 CO -0.74 -0.03 0.59 1.56 -1.72 0.00 0.00 179.24 178.90 1jtu h GLN 215 N -0.07 1.17 0.45 3.56 7.50 -1.67 -1.42 115.11 124.63 1jtu h GLN 215 Ca -0.01 -0.07 -0.02 0.00 0.50 0.00 0.00 58.65 59.05 1jtu h GLN 215 Cb 0.06 -0.26 0.00 0.00 0.05 0.00 0.00 27.48 27.33 1jtu h GLN 215 CO 0.01 0.77 -0.22 1.15 -1.50 0.00 0.00 178.83 179.05 1jtu h THR 216 N 1.20 0.54 -0.92 -0.54 2.02 -0.33 -1.91 112.91 112.98 1jtu h THR 216 Ca 0.33 -0.24 0.15 0.00 0.77 0.00 0.00 66.41 67.42 1jtu h THR 216 Cb -0.13 0.65 -0.09 0.00 -1.74 0.00 0.00 68.15 66.84 1jtu h THR 216 CO -0.07 0.04 0.52 0.45 0.37 0.00 0.00 175.52 176.83 1jtu h HIS 217 N -0.75 0.93 -0.68 3.16 3.86 -0.89 0.11 115.15 120.89 1jtu h HIS 217 Ca -0.06 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 1jtu h HIS 217 Cb 0.53 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 1jtu h HIS 217 CO -0.01 0.27 0.28 1.25 0.86 0.00 0.00 177.93 180.57 1jtu h LEU 218 N 0.75 0.90 -0.33 2.43 5.85 -1.10 -2.85 115.31 120.96 1jtu h LEU 218 Ca 0.49 -0.12 -0.19 0.00 0.84 0.00 0.00 57.88 58.90 1jtu h LEU 218 Cb 0.65 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1jtu h LEU 218 CO -0.34 0.80 -0.84 -0.61 -0.34 0.00 0.00 178.44 177.12 1jtu h GLN 219 N 0.97 0.22 0.00 1.25 4.15 -0.06 -3.22 115.11 118.42 1jtu h GLN 219 Ca 0.23 -0.23 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1jtu h GLN 219 Cb 0.17 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.93 1jtu h GLN 219 CO -0.02 0.94 -0.03 -0.07 -1.93 0.00 0.00 178.83 177.72 1jtu h LEU 220 N 0.13 0.00 -2.27 -2.39 4.07 -0.70 -2.73 115.31 111.42 1jtu h LEU 220 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1jtu h LEU 220 Cb 1.45 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.19 1jtu h LEU 220 CO 0.13 0.03 0.00 -1.54 -1.08 0.00 0.00 178.44 175.98 1jtu n SER 221 N -3.15 3.40 -4.64 -0.43 3.41 -1.15 -4.89 113.62 106.18 1jtu n SER 221 Ca -0.00 -2.22 -0.31 0.00 -0.26 0.00 0.00 58.87 56.08 1jtu n SER 221 Cb 0.27 -0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 63.68 1jtu n SER 221 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jtu s ARG 222 N -1.60 2.45 0.02 4.33 0.52 -1.03 -5.11 118.95 118.53 1jtu s ARG 222 Ca 0.37 -0.85 -0.20 0.00 -0.52 0.00 0.00 55.73 54.53 1jtu s ARG 222 Cb 0.23 -2.48 -0.06 0.00 0.52 0.00 0.00 34.95 33.16 1jtu s ARG 222 CO 0.20 0.55 0.59 -1.21 0.02 0.00 0.00 175.30 175.45 1jtu s GLU 223 N -2.07 4.28 0.61 3.54 0.41 -1.26 -5.00 118.70 119.21 1jtu s GLU 223 Ca 0.23 0.74 -0.18 0.00 -0.41 0.00 0.00 54.97 55.34 1jtu s GLU 223 Cb -0.11 -3.31 -0.02 0.00 -1.78 0.00 0.00 34.13 28.90 1jtu s GLU 223 CO 0.15 0.46 1.18 -2.14 -0.49 0.00 0.00 175.26 174.41 1jtu s PRO 224 N -0.49 2.89 -0.03 0.39 0.02 -1.26 -4.75 135.00 131.78 1jtu s PRO 224 Ca 0.30 1.72 0.04 0.00 0.02 0.00 0.00 61.00 63.08 1jtu s PRO 224 Cb -0.19 -1.93 -0.00 0.00 0.02 0.00 0.00 34.50 32.40 1jtu s PRO 224 CO 0.18 -1.24 -0.15 1.03 -0.33 0.00 0.00 177.00 176.49 1jtu s ARG 225 N -3.52 1.46 0.00 5.54 0.52 -1.26 -5.05 118.95 116.65 1jtu s ARG 225 Ca 0.75 -0.53 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 1jtu s ARG 225 Cb -0.28 -1.32 0.00 0.00 0.52 0.00 0.00 34.95 33.88 1jtu s ARG 225 CO 0.35 0.24 0.00 -2.30 0.02 0.00 0.00 175.30 173.61 1jtu n PRO 226 N 3.05 0.00 -1.98 3.54 -0.02 -1.26 -4.78 135.00 133.55 1jtu n PRO 226 Ca -0.17 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 60.94 1jtu n PRO 226 Cb 0.54 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 34.05 1jtu n PRO 226 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jtu s LEU 227 N 0.00 3.73 0.00 2.45 2.01 -1.26 -4.82 118.68 120.79 1jtu s LEU 227 Ca 0.00 2.46 0.00 0.00 0.01 0.00 0.00 54.13 56.60 1jtu s LEU 227 Cb 0.00 -4.50 0.00 0.00 0.01 0.00 0.00 46.19 41.70 1jtu s LEU 227 CO 0.00 -1.54 0.00 -0.81 1.01 0.00 0.00 176.35 175.01 1jtu n PRO 228 N -1.39 0.61 -3.70 1.29 -0.04 -1.26 -4.84 135.00 125.68 1jtu n PRO 228 Ca 0.13 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.42 1jtu n PRO 228 Cb 0.49 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.79 1jtu n PRO 228 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1jtu s LYS 229 N -0.85 0.01 0.02 0.54 -0.14 0.40 -2.79 119.74 116.93 1jtu s LYS 229 Ca 0.00 0.42 -0.29 0.00 -1.36 0.00 0.00 55.97 54.74 1jtu s LYS 229 Cb 0.00 -0.30 -0.04 0.00 -1.68 0.00 0.00 37.83 35.81 1jtu s LYS 229 CO 0.00 -0.26 0.92 -1.17 -0.76 0.00 0.00 175.35 174.08 1jtu s LEU 230 N 1.81 4.40 -0.10 3.17 1.98 -1.26 -0.53 118.68 128.14 1jtu s LEU 230 Ca -0.01 1.61 0.03 0.00 -2.89 0.00 0.00 54.13 52.86 1jtu s LEU 230 Cb -0.12 -3.48 0.01 0.00 0.66 0.00 0.00 46.19 43.26 1jtu s LEU 230 CO -0.05 -0.18 -0.18 -0.63 -1.89 0.00 0.00 176.35 173.42 1jtu s ILE 231 N 0.68 1.70 -0.54 6.68 1.09 0.48 -4.98 121.20 126.30 1jtu s ILE 231 Ca 0.48 -0.78 -0.10 0.00 -1.10 0.00 0.00 60.65 59.15 1jtu s ILE 231 Cb -0.21 -1.51 0.14 0.00 -1.06 0.00 0.00 42.46 39.82 1jtu s ILE 231 CO 0.27 0.48 0.42 -0.63 -0.10 0.00 0.00 174.94 175.38 1jtu s ILE 232 N 0.72 4.41 0.19 2.92 1.01 -1.26 -1.57 121.20 127.62 1jtu s ILE 232 Ca -0.12 -1.98 -0.17 0.00 0.00 0.00 0.00 60.65 58.38 1jtu s ILE 232 Cb -0.16 -3.87 0.17 0.00 0.01 0.00 0.00 42.46 38.61 1jtu s ILE 232 CO 0.02 -0.83 1.61 0.11 0.00 0.00 0.00 174.94 175.86 1jtu h LYS 233 N 8.25 -0.09 0.00 2.79 1.57 -1.51 -3.44 116.57 124.14 1jtu h LYS 233 Ca -0.16 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1jtu h LYS 233 Cb 1.06 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1jtu h LYS 233 CO 0.85 -0.06 0.00 2.89 -0.57 0.00 0.00 179.45 182.56 1jtu n ARG 234 N -5.43 2.36 -3.52 3.15 1.85 -1.26 -5.13 116.66 108.68 1jtu n ARG 234 Ca 0.05 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.64 1jtu n ARG 234 Cb 0.34 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.61 1jtu n ARG 234 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1jtu s LYS 235 N -1.36 0.20 0.93 2.89 2.20 -1.26 -5.09 119.74 118.26 1jtu s LYS 235 Ca 0.00 -0.37 -0.11 0.00 -0.36 0.00 0.00 55.97 55.13 1jtu s LYS 235 Cb 0.00 -1.14 0.15 0.00 -1.51 0.00 0.00 37.83 35.34 1jtu s LYS 235 CO 0.00 -0.96 1.10 -2.14 -0.36 0.00 0.00 175.35 172.99 1jtu s PRO 236 N 2.17 0.90 0.00 4.03 0.02 -1.26 -4.91 135.00 135.94 1jtu s PRO 236 Ca 0.08 1.22 0.28 0.00 0.02 0.00 0.00 61.00 62.60 1jtu s PRO 236 Cb -0.16 -1.74 1.65 0.00 0.02 0.00 0.00 34.50 34.28 1jtu s PRO 236 CO -0.32 -2.61 2.06 -1.91 -0.33 0.00 0.00 177.00 173.90 1jtu n GLU 237 N -4.19 1.01 -3.50 5.54 2.13 -1.26 -4.83 120.64 115.54 1jtu n GLU 237 Ca 0.09 -0.01 -0.10 0.00 0.66 0.00 0.00 57.16 57.80 1jtu n GLU 237 Cb 0.53 -1.43 -0.02 0.00 0.27 0.00 0.00 31.44 30.79 1jtu n GLU 237 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1jtu s SER 238 N -1.87 -0.44 0.24 4.31 1.04 -1.26 -5.02 113.70 110.70 1jtu s SER 238 Ca 0.42 -0.05 0.25 0.00 0.48 0.00 0.00 55.95 57.04 1jtu s SER 238 Cb 0.19 0.50 0.91 0.00 0.10 0.00 0.00 66.02 67.73 1jtu s SER 238 CO 0.32 -0.83 1.74 0.00 0.98 0.00 0.00 173.24 175.46 1jtu n ILE 239 N -0.33 0.73 0.06 -1.02 3.06 -1.26 -3.34 119.36 117.26 1jtu n ILE 239 Ca -0.12 0.01 -0.12 0.00 -2.50 0.00 0.00 62.75 60.03 1jtu n ILE 239 Cb 0.63 -0.92 -0.13 0.00 0.54 0.00 0.00 39.64 39.76 1jtu n ILE 239 CO 0.00 0.00 0.00 -0.26 -2.50 0.00 0.00 176.55 173.79 1jtu h PHE 240 N 0.00 0.22 -1.81 9.51 0.04 -1.95 -3.37 116.94 119.58 1jtu h PHE 240 Ca 0.00 -0.16 -0.72 0.00 2.80 0.00 0.00 57.97 59.89 1jtu h PHE 240 Cb 0.52 -0.01 -0.24 0.00 2.20 0.00 0.00 35.95 38.42 1jtu h PHE 240 CO 0.00 1.16 1.01 -0.40 -0.60 0.00 0.00 178.31 179.48 1jtu n ASP 241 N -3.37 7.33 -4.48 2.17 5.68 -1.21 -4.90 116.55 117.77 1jtu n ASP 241 Ca -0.09 -3.65 -0.25 0.00 -0.50 0.00 0.00 54.79 50.30 1jtu n ASP 241 Cb 1.00 -1.14 0.14 0.00 -1.14 0.00 0.00 41.12 39.98 1jtu n ASP 241 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1jtu s TYR 242 N -3.49 1.37 0.05 2.11 1.51 -1.26 -4.81 117.35 112.83 1jtu s TYR 242 Ca 0.51 -0.18 -0.21 0.00 -1.01 0.00 0.00 57.07 56.18 1jtu s TYR 242 Cb 0.37 -3.32 0.05 0.00 -0.11 0.00 0.00 41.96 38.95 1jtu s TYR 242 CO -0.31 -2.08 0.48 0.50 -1.11 0.00 0.00 175.55 173.03 1jtu s ARG 243 N -5.38 1.00 0.27 -0.62 3.00 -1.26 -5.05 118.95 110.91 1jtu s ARG 243 Ca 0.70 -0.30 0.00 0.00 -1.00 0.00 0.00 55.73 55.13 1jtu s ARG 243 Cb -0.04 0.45 0.57 0.00 0.00 0.00 0.00 34.95 35.93 1jtu s ARG 243 CO 0.47 -0.36 1.77 0.35 0.00 0.00 0.00 175.30 177.53 1jtu h PHE 244 N 2.84 0.85 -0.97 5.12 3.57 -1.96 -1.71 116.94 124.68 1jtu h PHE 244 Ca -0.31 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.24 1jtu h PHE 244 Cb 1.21 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.66 1jtu h PHE 244 CO 0.38 0.21 0.64 0.93 -2.23 0.00 0.00 178.31 178.23 1jtu h GLU 245 N 0.67 1.25 0.00 1.11 3.07 -2.04 -2.74 114.58 115.90 1jtu h GLU 245 Ca 0.49 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 1jtu h GLU 245 Cb 0.69 -0.28 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1jtu h GLU 245 CO -0.36 0.83 0.21 -0.44 -1.40 0.00 0.00 179.01 177.85 1jtu h ASP 246 N 1.29 0.00 -3.29 1.42 3.32 -1.71 -3.42 116.42 114.02 1jtu h ASP 246 Ca 0.36 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.76 1jtu h ASP 246 Cb -0.10 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.33 1jtu h ASP 246 CO -0.09 0.00 -0.63 -0.36 -1.72 0.00 0.00 179.24 176.44 1jtu s PHE 247 N -3.58 3.09 -0.27 4.55 0.08 -1.04 -1.26 117.98 119.55 1jtu s PHE 247 Ca -0.02 0.05 -0.10 0.00 0.12 0.00 0.00 56.93 56.98 1jtu s PHE 247 Cb 0.06 -1.62 0.11 0.00 -0.57 0.00 0.00 43.02 41.00 1jtu s PHE 247 CO 0.19 0.49 0.59 -2.00 -0.10 0.00 0.00 175.22 174.39 1jtu s GLU 248 N -2.04 0.53 -0.10 0.44 2.12 -0.61 -4.95 118.70 114.10 1jtu s GLU 248 Ca 0.24 1.31 -0.11 0.00 0.36 0.00 0.00 54.97 56.77 1jtu s GLU 248 Cb -0.12 0.63 -0.05 0.00 0.26 0.00 0.00 34.13 34.86 1jtu s GLU 248 CO 0.16 -0.20 0.25 -1.50 -0.54 0.00 0.00 175.26 173.43 1jtu s ILE 249 N 2.63 5.32 -0.04 -3.70 2.07 -1.26 -0.39 121.20 125.82 1jtu s ILE 249 Ca -0.06 0.46 0.05 0.00 -1.41 0.00 0.00 60.65 59.70 1jtu s ILE 249 Cb -0.11 -3.55 -0.01 0.00 0.13 0.00 0.00 42.46 38.92 1jtu s ILE 249 CO -0.17 0.54 -0.21 -0.70 -1.91 0.00 0.00 174.94 172.48 1jtu s GLU 250 N -0.57 2.07 0.00 3.50 2.12 0.31 -4.71 118.70 121.43 1jtu s GLU 250 Ca 0.17 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.75 1jtu s GLU 250 Cb -0.13 -1.81 0.00 0.00 0.26 0.00 0.00 34.13 32.44 1jtu s GLU 250 CO 0.06 0.34 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 1jtu n GLY 251 N 2.95 0.61 3.46 -1.50 0.00 -1.26 -0.45 105.19 109.00 1jtu n GLY 251 Ca -0.17 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 1jtu n GLY 251 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jtu s TYR 252 N -2.00 2.74 -0.64 1.61 5.04 -1.26 -4.38 117.35 118.45 1jtu s TYR 252 Ca 0.00 -0.48 0.05 0.00 -2.44 0.00 0.00 57.07 54.20 1jtu s TYR 252 Cb 0.00 -4.19 0.18 0.00 0.35 0.00 0.00 41.96 38.30 1jtu s TYR 252 CO 0.00 -1.54 0.48 -3.47 -1.34 0.00 0.00 175.55 169.68 1jtu n ASP 253 N 7.49 2.32 -4.91 4.32 2.03 -1.26 -5.10 116.55 121.43 1jtu n ASP 253 Ca -0.03 -3.05 -0.27 0.00 0.52 0.00 0.00 54.79 51.95 1jtu n ASP 253 Cb 0.46 -0.71 0.02 0.00 -0.72 0.00 0.00 41.12 40.17 1jtu n ASP 253 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1jtu s PRO 254 N -1.22 3.09 0.72 -0.67 0.04 -1.26 -4.92 135.00 130.78 1jtu s PRO 254 Ca 0.28 0.11 -0.11 0.00 0.04 0.00 0.00 61.00 61.32 1jtu s PRO 254 Cb -0.01 -2.27 0.02 0.00 0.04 0.00 0.00 34.50 32.28 1jtu s PRO 254 CO -0.17 -0.60 1.07 -1.01 0.04 0.00 0.00 177.00 176.33 1jtu s HIS 255 N -2.97 3.05 0.83 0.56 3.76 0.38 -4.85 115.29 116.06 1jtu s HIS 255 Ca 0.53 1.36 -0.14 0.00 -0.15 0.00 0.00 55.06 56.66 1jtu s HIS 255 Cb -0.11 -2.93 0.01 0.00 1.11 0.00 0.00 32.58 30.66 1jtu s HIS 255 CO 0.46 -1.35 0.56 -0.35 -0.85 0.00 0.00 174.74 173.21 1jtu n PRO 256 N -3.20 0.05 -1.40 8.40 -0.04 -1.26 -1.77 135.00 135.79 1jtu n PRO 256 Ca 0.07 0.07 -0.31 0.00 -0.04 0.00 0.00 63.50 63.29 1jtu n PRO 256 Cb 0.54 -1.91 0.08 0.00 -0.04 0.00 0.00 33.50 32.17 1jtu n PRO 256 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1jtu s GLY 257 N -1.77 1.66 -0.16 0.55 0.00 -1.26 -3.73 107.32 102.61 1jtu s GLY 257 Ca 0.63 0.12 0.00 0.00 0.00 0.00 0.00 44.72 45.47 1jtu s GLY 257 CO 0.61 0.48 -0.10 -0.42 0.00 0.00 0.00 173.10 173.67 1jtu s ILE 258 N -2.98 1.39 0.14 0.90 1.01 -1.26 -4.91 121.20 115.48 1jtu s ILE 258 Ca 0.60 -0.66 -0.27 0.00 0.00 0.00 0.00 60.65 60.32 1jtu s ILE 258 Cb -0.16 -1.41 -0.07 0.00 0.01 0.00 0.00 42.46 40.83 1jtu s ILE 258 CO 0.56 0.30 0.85 -0.54 0.00 0.00 0.00 174.94 176.11 1jtu s LYS 259 N 1.54 4.64 -0.10 2.79 -0.14 -1.26 -5.07 119.74 122.14 1jtu s LYS 259 Ca 0.03 1.27 -0.26 0.00 -1.36 0.00 0.00 55.97 55.64 1jtu s LYS 259 Cb -0.14 -3.32 0.06 0.00 -1.68 0.00 0.00 37.83 32.75 1jtu s LYS 259 CO -0.09 0.41 0.62 0.00 -0.76 0.00 0.00 175.35 175.52 1jtu s ALA 260 N -0.62 -1.58 0.38 5.17 0.00 -1.26 -4.96 121.76 118.89 1jtu s ALA 260 Ca 0.40 1.31 -0.26 0.00 0.00 0.00 0.00 51.96 53.41 1jtu s ALA 260 Cb -0.23 -0.28 -0.09 0.00 0.00 0.00 0.00 23.12 22.52 1jtu s ALA 260 CO 0.27 -0.34 1.15 -1.25 0.00 0.00 0.00 175.76 175.60 1jtu s PRO 261 N -0.78 4.18 -0.11 0.00 0.04 -1.26 -5.04 135.00 132.02 1jtu s PRO 261 Ca -0.08 1.81 -0.12 0.00 0.04 0.00 0.00 61.00 62.64 1jtu s PRO 261 Cb -0.02 -2.76 -0.05 0.00 0.04 0.00 0.00 34.50 31.71 1jtu s PRO 261 CO 0.07 -0.20 0.27 0.54 0.04 0.00 0.00 177.00 177.72 1jtu s VAL 262 N -1.39 5.29 -0.31 -0.36 0.11 -1.26 -5.01 120.40 117.47 1jtu s VAL 262 Ca 0.55 0.52 -0.26 0.00 -2.93 0.00 0.00 61.98 59.85 1jtu s VAL 262 Cb -0.30 -3.58 0.01 0.00 -1.53 0.00 0.00 36.38 30.98 1jtu s VAL 262 CO 0.38 0.51 0.93 0.00 -3.33 0.00 0.00 175.10 173.59 1jtu s ALA 263 N -0.37 3.53 -2.40 1.54 0.00 -1.26 -5.23 121.76 117.57 1jtu s ALA 263 Ca 0.18 -0.22 0.29 0.00 0.00 0.00 0.00 51.96 52.20 1jtu s ALA 263 Cb -0.14 -3.48 1.23 0.00 0.00 0.00 0.00 23.12 20.73 1jtu s ALA 263 CO 0.06 -1.31 1.84 -0.89 0.00 0.00 0.00 175.76 175.46