#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5p n HIS 0 N 0.00 0.00 -0.94 4.41 8.25 -1.26 -1.18 115.22 124.50 1j5p n HIS 0 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 1j5p n HIS 0 Cb 0.00 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.25 1j5p n HIS 0 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j5p s MET 1 N -0.30 1.53 -0.18 -0.41 0.00 -1.26 -4.12 119.30 114.55 1j5p s MET 1 Ca 0.00 1.42 -0.08 0.00 0.00 0.00 0.00 55.69 57.03 1j5p s MET 1 Cb 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 34.83 32.99 1j5p s MET 1 CO 0.00 -2.23 0.09 0.99 0.00 0.00 0.00 175.02 173.87 1j5p s THR 2 N -2.71 5.08 0.18 3.16 2.01 -1.26 -2.58 115.64 119.53 1j5p s THR 2 Ca 0.65 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.74 1j5p s THR 2 Cb -0.21 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 1j5p s THR 2 CO 0.57 0.48 0.01 0.68 -0.69 0.00 0.00 174.62 175.66 1j5p s VAL 3 N 0.15 0.70 -0.12 3.82 -7.23 -0.74 -1.64 120.40 115.34 1j5p s VAL 3 Ca 0.07 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.28 1j5p s VAL 3 Cb -0.12 -2.16 0.01 0.00 0.56 0.00 0.00 36.38 34.67 1j5p s VAL 3 CO -0.00 -0.44 -0.22 -0.22 -0.31 0.00 0.00 175.10 173.91 1j5p s LEU 4 N -3.19 2.05 -0.17 1.32 2.96 -0.54 -1.02 118.68 120.09 1j5p s LEU 4 Ca 0.25 -0.56 -0.00 0.00 -0.22 0.00 0.00 54.13 53.60 1j5p s LEU 4 Cb 0.06 -1.37 0.00 0.00 0.50 0.00 0.00 46.19 45.38 1j5p s LEU 4 CO 0.05 0.11 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.41 1j5p s ILE 5 N 0.62 2.68 -0.39 6.68 1.01 0.16 -0.38 121.20 131.57 1j5p s ILE 5 Ca -0.12 -0.75 -0.15 0.00 0.00 0.00 0.00 60.65 59.63 1j5p s ILE 5 Cb -0.17 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.16 1j5p s ILE 5 CO 0.03 0.50 0.33 -0.63 0.00 0.00 0.00 174.94 175.17 1j5p s ILE 6 N 1.06 5.22 0.00 2.92 1.01 0.30 -1.78 121.20 129.92 1j5p s ILE 6 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1j5p s ILE 6 Cb -0.15 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.43 1j5p s ILE 6 CO -0.04 -0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.26 1j5p n GLY 7 N 5.12 1.18 2.68 6.18 0.00 0.05 -1.33 105.19 119.07 1j5p n GLY 7 Ca -0.10 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 1j5p n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1j5p n MET 8 N 2.68 3.30 0.00 1.61 2.81 -1.26 -4.00 117.12 122.27 1j5p n MET 8 Ca 0.00 -4.21 0.00 0.00 -1.81 0.00 0.00 57.70 51.68 1j5p n MET 8 Cb 0.00 -2.27 0.00 0.00 -0.71 0.00 0.00 33.22 30.24 1j5p n MET 8 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1j5p n GLY 9 N -0.45 1.80 0.32 3.03 0.00 -1.26 -4.50 105.19 104.12 1j5p n GLY 9 Ca 0.44 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 1j5p n GLY 9 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1j5p h ASN 10 N 0.00 -0.92 -0.13 1.61 2.35 -1.93 -0.90 115.58 115.66 1j5p h ASN 10 Ca 0.00 0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 1j5p h ASN 10 Cb 0.00 0.38 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 1j5p h ASN 10 CO 0.00 -0.36 -0.07 0.40 -1.65 0.00 0.00 177.43 175.76 1j5p h ILE 11 N -0.41 1.32 -0.53 2.81 2.04 -1.92 -2.90 117.51 117.92 1j5p h ILE 11 Ca 0.08 -1.12 0.04 0.00 1.00 0.00 0.00 64.86 64.86 1j5p h ILE 11 Cb 0.53 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.36 1j5p h ILE 11 CO -0.30 0.32 0.27 1.23 0.00 0.00 0.00 178.15 179.68 1j5p h GLY 12 N -0.08 0.74 1.52 5.37 0.00 -1.66 -0.18 103.07 108.77 1j5p h GLY 12 Ca 0.03 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 1j5p h GLY 12 CO 0.02 0.12 -0.16 0.50 0.00 0.00 0.00 176.54 177.02 1j5p h LYS 13 N 0.53 0.58 -0.23 4.80 1.57 -1.24 -2.29 116.57 120.29 1j5p h LYS 13 Ca 0.23 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 1j5p h LYS 13 Cb 0.13 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1j5p h LYS 13 CO -0.15 0.72 -0.38 -0.22 -0.57 0.00 0.00 179.45 178.84 1j5p h LYS 14 N 0.52 0.51 -0.55 3.15 1.63 -1.21 -0.68 116.57 119.94 1j5p h LYS 14 Ca 0.09 -0.25 -0.03 0.00 -0.85 0.00 0.00 60.65 59.61 1j5p h LYS 14 Cb 0.58 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.18 1j5p h LYS 14 CO 0.04 0.81 0.21 -0.07 -3.45 0.00 0.00 179.45 176.99 1j5p h LEU 15 N 0.43 0.76 -0.64 5.20 3.38 -0.58 0.12 115.31 123.98 1j5p h LEU 15 Ca 0.04 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 1j5p h LEU 15 Cb 0.86 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1j5p h LEU 15 CO 0.07 0.74 -0.37 0.58 0.09 0.00 0.00 178.44 179.54 1j5p h VAL 16 N 0.75 1.29 -0.17 1.22 2.07 -1.28 0.42 116.25 120.55 1j5p h VAL 16 Ca 0.18 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 1j5p h VAL 16 Cb 0.22 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1j5p h VAL 16 CO -0.01 0.49 0.02 -0.08 0.02 0.00 0.00 177.57 178.00 1j5p h GLU 17 N 0.54 0.28 0.11 1.57 4.81 -0.80 -3.35 114.58 117.73 1j5p h GLU 17 Ca 0.05 -0.08 -0.35 0.00 -0.13 0.00 0.00 59.36 58.85 1j5p h GLU 17 Cb 0.89 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 1j5p h GLU 17 CO 0.08 0.47 -1.93 -0.07 -0.73 0.00 0.00 179.01 176.83 1j5p h LEU 18 N 0.05 0.37-10.33 1.64 3.38 -0.77 -3.48 115.31 106.17 1j5p h LEU 18 Ca 0.05 -0.80 -0.49 0.00 0.09 0.00 0.00 57.88 56.72 1j5p h LEU 18 Cb 0.34 -0.12 0.14 0.00 0.09 0.00 0.00 40.66 41.11 1j5p h LEU 18 CO 0.01 1.72 0.27 -0.83 0.09 0.00 0.00 178.44 179.70 1j5p s GLY 19 N -5.47 1.64 -0.25 0.83 0.00 0.15 -5.02 107.32 99.18 1j5p s GLY 19 Ca -0.19 0.05 0.02 0.00 0.00 0.00 0.00 44.72 44.60 1j5p s GLY 19 CO 0.79 0.49 -0.07 0.54 0.00 0.00 0.00 173.10 174.85 1j5p s ASN 20 N -3.40 4.14 0.06 1.64 6.03 -1.26 -4.85 114.94 117.29 1j5p s ASN 20 Ca 0.63 -1.33 0.07 0.00 -1.03 0.00 0.00 52.86 51.19 1j5p s ASN 20 Cb -0.18 -1.34 -0.03 0.00 -3.03 0.00 0.00 41.25 36.68 1j5p s ASN 20 CO 0.57 -0.23 -0.18 -0.36 -2.03 0.00 0.00 177.10 174.87 1j5p s PHE 21 N 1.26 1.57 0.16 1.54 0.08 -1.26 -3.46 117.98 117.87 1j5p s PHE 21 Ca -0.06 -0.38 0.06 0.00 0.12 0.00 0.00 56.93 56.66 1j5p s PHE 21 Cb -0.19 -0.91 -0.03 0.00 -0.57 0.00 0.00 43.02 41.32 1j5p s PHE 21 CO -0.06 0.09 1.37 1.05 -0.10 0.00 0.00 175.22 177.58 1j5p h GLU 22 N 4.67 0.08 -2.61 0.44 4.11 -0.87 -3.46 114.58 116.94 1j5p h GLU 22 Ca -0.42 -0.10 -0.11 0.00 0.07 0.00 0.00 59.36 58.81 1j5p h GLU 22 Cb 1.17 0.03 -0.24 0.00 0.50 0.00 0.00 28.75 30.21 1j5p h GLU 22 CO 0.43 0.92 -0.21 0.21 0.07 0.00 0.00 179.01 180.43 1j5p s LYS 23 N -3.06 0.50 -0.13 1.06 2.20 -1.26 -5.04 119.74 114.01 1j5p s LYS 23 Ca -0.01 0.71 -0.00 0.00 -0.36 0.00 0.00 55.97 56.31 1j5p s LYS 23 Cb 0.10 0.17 0.03 0.00 -1.51 0.00 0.00 37.83 36.62 1j5p s LYS 23 CO 0.81 -0.10 -0.08 0.42 -0.36 0.00 0.00 175.35 176.05 1j5p s ILE 24 N 0.67 1.13 0.04 5.43 1.01 -1.26 -1.79 121.20 126.43 1j5p s ILE 24 Ca -0.03 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.14 1j5p s ILE 24 Cb -0.05 -1.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.21 1j5p s ILE 24 CO -0.05 0.33 0.29 -0.31 0.00 0.00 0.00 174.94 175.21 1j5p s TYR 25 N 1.66 3.56 -0.02 3.97 2.02 -0.19 0.02 117.35 128.37 1j5p s TYR 25 Ca 0.04 0.57 -0.02 0.00 -0.37 0.00 0.00 57.07 57.30 1j5p s TYR 25 Cb -0.13 -2.00 0.01 0.00 -0.40 0.00 0.00 41.96 39.44 1j5p s TYR 25 CO -0.08 0.58 0.05 0.00 -1.57 0.00 0.00 175.55 174.53 1j5p s ALA 26 N -1.37 -0.12 -0.12 3.71 0.00 -0.69 -0.67 121.76 122.50 1j5p s ALA 26 Ca 0.30 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1j5p s ALA 26 Cb -0.13 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1j5p s ALA 26 CO 0.18 -0.03 -0.11 -0.47 0.00 0.00 0.00 175.76 175.33 1j5p s TYR 27 N 0.11 1.77 -0.29 0.00 5.04 -0.74 -1.48 117.35 121.78 1j5p s TYR 27 Ca -0.01 -0.92 -0.07 0.00 -2.44 0.00 0.00 57.07 53.63 1j5p s TYR 27 Cb -0.01 -1.37 0.14 0.00 0.35 0.00 0.00 41.96 41.07 1j5p s TYR 27 CO -0.00 -0.55 0.60 0.34 -1.34 0.00 0.00 175.55 174.60 1j5p s ASP 28 N 1.51 -1.06 0.56 4.32 -1.08 -1.26 -0.77 116.67 118.88 1j5p s ASP 28 Ca 0.03 1.28 0.44 0.00 -0.52 0.00 0.00 52.55 53.78 1j5p s ASP 28 Cb -0.13 2.12 1.59 0.00 -1.46 0.00 0.00 42.92 45.04 1j5p s ASP 28 CO -0.08 -0.23 1.60 0.03 0.52 0.00 0.00 175.17 177.00 1j5p h ARG 29 N 8.03 0.00 -6.86 4.34 3.08 -1.98 -3.42 114.38 117.56 1j5p h ARG 29 Ca -0.19 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.38 1j5p h ARG 29 Cb 1.12 0.00 0.22 0.00 0.08 0.00 0.00 29.97 31.39 1j5p h ARG 29 CO 0.15 0.00 -0.59 0.44 -1.07 0.00 0.00 179.97 178.90 1j5p n ILE 30 N -3.89 0.00 -0.32 2.04 -5.35 -1.26 -4.95 119.36 105.62 1j5p n ILE 30 Ca 0.37 -0.27 0.06 0.00 -0.27 0.00 0.00 62.75 62.64 1j5p n ILE 30 Cb 1.76 -0.73 0.15 0.00 -1.74 0.00 0.00 39.64 39.08 1j5p n ILE 30 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1j5p n SER 31 N -2.50 2.98 -4.57 7.28 3.41 -1.26 -5.03 113.62 113.92 1j5p n SER 31 Ca 0.04 -2.21 -0.36 0.00 -0.26 0.00 0.00 58.87 56.08 1j5p n SER 31 Cb 0.57 -0.27 0.08 0.00 -0.26 0.00 0.00 64.21 64.33 1j5p n SER 31 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1j5p n LYS 32 N 0.17 0.49 -2.67 4.33 5.02 -1.26 -4.88 118.16 119.36 1j5p n LYS 32 Ca 0.12 0.22 -0.43 0.00 -2.02 0.00 0.00 58.31 56.20 1j5p n LYS 32 Cb 0.49 -2.10 -0.02 0.00 -0.02 0.00 0.00 35.03 33.39 1j5p n LYS 32 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1j5p s ASP 33 N -1.54 7.01 0.50 4.39 1.01 -1.26 -4.99 116.67 121.79 1j5p s ASP 33 Ca 0.71 1.22 -0.22 0.00 0.71 0.00 0.00 52.55 54.97 1j5p s ASP 33 Cb -0.36 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 40.97 1j5p s ASP 33 CO 0.52 -0.74 1.18 2.30 0.21 0.00 0.00 175.17 178.63 1j5p n ILE 34 N 5.53 3.20 0.00 0.77 -5.35 -1.26 -5.02 119.36 117.24 1j5p n ILE 34 Ca 0.12 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 1j5p n ILE 34 Cb 0.47 -1.42 0.00 0.00 -1.74 0.00 0.00 39.64 36.94 1j5p n ILE 34 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1j5p n PRO 35 N -0.52 0.00 -1.06 6.28 -0.04 -1.26 -4.85 135.00 133.56 1j5p n PRO 35 Ca 0.10 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.32 1j5p n PRO 35 Cb 0.43 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 33.97 1j5p n PRO 35 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j5p n GLY 36 N 4.06 4.69 3.14 0.55 0.00 -1.26 -4.93 105.19 111.45 1j5p n GLY 36 Ca 0.00 -1.47 -0.16 0.00 0.00 0.00 0.00 46.02 44.40 1j5p n GLY 36 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j5p s VAL 37 N -3.27 0.90 -0.57 1.61 -7.23 -1.26 -4.63 120.40 105.95 1j5p s VAL 37 Ca 0.46 -1.34 -0.25 0.00 -1.81 0.00 0.00 61.98 59.05 1j5p s VAL 37 Cb 0.37 -1.02 0.04 0.00 0.56 0.00 0.00 36.38 36.33 1j5p s VAL 37 CO 0.02 -0.36 1.00 -0.69 -0.31 0.00 0.00 175.10 174.75 1j5p s VAL 38 N -1.63 4.29 -0.49 1.32 1.01 0.10 -4.94 120.40 120.06 1j5p s VAL 38 Ca -0.02 0.35 -0.28 0.00 0.00 0.00 0.00 61.98 62.02 1j5p s VAL 38 Cb -0.08 -4.60 0.01 0.00 0.00 0.00 0.00 36.38 31.72 1j5p s VAL 38 CO 0.01 -1.21 1.38 -0.60 0.00 0.00 0.00 175.10 174.69 1j5p s ARG 39 N 4.21 3.45 0.28 2.72 6.06 -1.26 -1.71 118.95 132.69 1j5p s ARG 39 Ca 0.32 0.65 -0.29 0.00 -2.50 0.00 0.00 55.73 53.92 1j5p s ARG 39 Cb -0.12 -4.06 -0.09 0.00 0.06 0.00 0.00 34.95 30.74 1j5p s ARG 39 CO 0.19 -1.74 1.00 -0.51 -2.50 0.00 0.00 175.30 171.75 1j5p s LEU 40 N 5.65 4.54 -0.17 -0.88 1.02 -0.55 -4.96 118.68 123.33 1j5p s LEU 40 Ca 0.55 2.04 0.06 0.00 0.02 0.00 0.00 54.13 56.81 1j5p s LEU 40 Cb -0.11 -3.72 -0.22 0.00 0.02 0.00 0.00 46.19 42.16 1j5p s LEU 40 CO 0.29 -0.02 0.15 0.47 0.02 0.00 0.00 176.35 177.26 1j5p n ASP 41 N 1.14 1.30 -4.43 2.29 8.00 -1.26 -4.71 116.55 118.89 1j5p n ASP 41 Ca -0.01 0.08 -0.33 0.00 0.71 0.00 0.00 54.79 55.24 1j5p n ASP 41 Cb 0.47 -0.09 -0.13 0.00 -0.02 0.00 0.00 41.12 41.34 1j5p n ASP 41 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1j5p s GLU 42 N -2.54 3.30 0.26 -1.24 0.41 -1.26 -5.07 118.70 112.56 1j5p s GLU 42 Ca -0.20 -0.64 -0.30 0.00 -0.41 0.00 0.00 54.97 53.42 1j5p s GLU 42 Cb 0.07 -2.66 -0.10 0.00 -1.78 0.00 0.00 34.13 29.66 1j5p s GLU 42 CO 0.74 0.30 1.48 0.12 -0.49 0.00 0.00 175.26 177.42 1j5p s PHE 43 N 0.13 2.95 0.18 1.61 2.19 -1.26 -4.95 117.98 118.83 1j5p s PHE 43 Ca -0.05 0.95 -0.23 0.00 0.33 0.00 0.00 56.93 57.93 1j5p s PHE 43 Cb -0.15 -3.89 0.06 0.00 -1.31 0.00 0.00 43.02 37.74 1j5p s PHE 43 CO 0.04 -2.93 0.96 1.14 1.83 0.00 0.00 175.22 176.26 1j5p s GLN 44 N -0.37 1.32 -0.43 10.12 -2.07 -1.26 -5.12 119.66 121.85 1j5p s GLN 44 Ca 0.61 -0.77 0.03 0.00 -1.82 0.00 0.00 55.36 53.40 1j5p s GLN 44 Cb -0.43 0.42 0.12 0.00 -1.09 0.00 0.00 33.01 32.02 1j5p s GLN 44 CO 0.44 -0.61 0.18 0.08 -1.32 0.00 0.00 175.29 174.06 1j5p s VAL 45 N -2.95 2.06 0.39 3.63 1.01 -1.26 -5.09 120.40 118.19 1j5p s VAL 45 Ca 0.15 -2.67 -0.25 0.00 0.00 0.00 0.00 61.98 59.22 1j5p s VAL 45 Cb -0.02 -2.47 -0.12 0.00 0.00 0.00 0.00 36.38 33.76 1j5p s VAL 45 CO 0.04 -0.75 0.86 -2.65 0.00 0.00 0.00 175.10 172.60 1j5p n PRO 46 N 3.73 1.07 0.12 2.72 -0.02 -1.26 -4.84 135.00 136.52 1j5p n PRO 46 Ca 0.05 0.38 0.10 0.00 -2.02 0.00 0.00 63.50 62.01 1j5p n PRO 46 Cb 0.37 -1.81 0.47 0.00 -0.02 0.00 0.00 33.50 32.51 1j5p n PRO 46 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1j5p n SER 47 N 0.91 0.50 -1.17 2.55 3.41 -1.26 -1.90 113.62 116.66 1j5p n SER 47 Ca 0.10 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.51 1j5p n SER 47 Cb 0.37 -0.77 0.26 0.00 -0.26 0.00 0.00 64.21 63.81 1j5p n SER 47 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1j5p n ASP 48 N -2.12 3.46 -4.71 4.04 3.85 -1.26 -4.92 116.55 114.89 1j5p n ASP 48 Ca 0.00 -1.98 -0.42 0.00 -0.71 0.00 0.00 54.79 51.69 1j5p n ASP 48 Cb 0.11 -0.32 -0.03 0.00 -1.35 0.00 0.00 41.12 39.53 1j5p n ASP 48 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1j5p s VAL 49 N -1.37 4.90 -0.12 2.12 1.01 -0.80 -4.56 120.40 121.58 1j5p s VAL 49 Ca 0.41 1.90 0.18 0.00 0.00 0.00 0.00 61.98 64.47 1j5p s VAL 49 Cb 0.23 -4.25 -0.26 0.00 0.00 0.00 0.00 36.38 32.10 1j5p s VAL 49 CO 0.31 0.15 0.21 -1.54 0.00 0.00 0.00 175.10 174.24 1j5p n SER 50 N 4.09 0.46 -3.84 3.32 3.41 -0.65 -4.81 113.62 115.59 1j5p n SER 50 Ca 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.53 1j5p n SER 50 Cb 0.51 1.33 -0.14 0.00 -0.26 0.00 0.00 64.21 65.65 1j5p n SER 50 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1j5p s THR 51 N -2.82 -0.01 -0.13 6.66 2.01 -1.24 -1.55 115.64 118.57 1j5p s THR 51 Ca -0.08 0.03 0.01 0.00 0.31 0.00 0.00 61.69 61.96 1j5p s THR 51 Cb 0.08 -0.07 -0.01 0.00 0.01 0.00 0.00 72.50 72.52 1j5p s THR 51 CO 0.78 0.01 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.88 1j5p s VAL 52 N 0.20 2.78 -0.17 3.82 1.01 0.92 -1.46 120.40 127.50 1j5p s VAL 52 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1j5p s VAL 52 Cb -0.02 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1j5p s VAL 52 CO -0.01 0.53 -0.16 -0.69 0.00 0.00 0.00 175.10 174.77 1j5p s VAL 53 N 0.43 2.52 -0.23 2.92 1.01 0.48 -1.21 120.40 126.33 1j5p s VAL 53 Ca -0.12 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 60.96 1j5p s VAL 53 Cb -0.16 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 1j5p s VAL 53 CO 0.05 0.51 0.12 -0.70 0.00 0.00 0.00 175.10 175.09 1j5p s GLU 54 N 1.00 4.00 -0.41 2.72 -6.30 -0.28 -0.54 118.70 118.89 1j5p s GLU 54 Ca -0.02 -0.31 0.10 0.00 -2.50 0.00 0.00 54.97 52.23 1j5p s GLU 54 Cb -0.15 -3.43 0.36 0.00 0.00 0.00 0.00 34.13 30.91 1j5p s GLU 54 CO -0.04 0.09 1.08 0.00 0.02 0.00 0.00 175.26 176.41 1j5p n ALA 56 N 0.05 3.00 -3.61 0.00 0.00 -1.10 -4.43 120.51 114.42 1j5p n ALA 56 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.51 1j5p n ALA 56 Cb 0.74 0.02 -0.01 0.00 0.00 0.00 0.00 19.45 20.21 1j5p n ALA 56 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1j5p s SER 57 N -5.07 -0.10 0.30 0.00 1.04 -1.26 -4.98 113.70 103.62 1j5p s SER 57 Ca 0.00 -0.08 -0.01 0.00 0.48 0.00 0.00 55.95 56.34 1j5p s SER 57 Cb 0.00 0.17 0.45 0.00 0.10 0.00 0.00 66.02 66.74 1j5p s SER 57 CO 0.00 -0.29 1.91 -0.65 0.98 0.00 0.00 173.24 175.19 1j5p h PRO 58 N 2.00 0.94 -0.94 4.02 0.11 -1.96 -1.78 132.00 134.39 1j5p h PRO 58 Ca -0.20 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1j5p h PRO 58 Cb 1.19 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 32.07 1j5p h PRO 58 CO 0.26 0.71 0.59 0.93 -0.21 0.00 0.00 178.00 180.27 1j5p h GLU 59 N 0.94 1.26 -0.81 1.05 3.07 -1.95 -2.01 114.58 116.13 1j5p h GLU 59 Ca 0.24 -0.10 -0.04 0.00 -0.50 0.00 0.00 59.36 58.96 1j5p h GLU 59 Cb 0.06 -0.27 -0.04 0.00 -0.84 0.00 0.00 28.75 27.66 1j5p h GLU 59 CO -0.03 0.87 0.37 0.00 -1.40 0.00 0.00 179.01 178.81 1j5p h ALA 60 N 1.32 1.12 -0.66 3.43 0.00 -1.72 -0.93 119.26 121.82 1j5p h ALA 60 Ca 0.34 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1j5p h ALA 60 Cb -0.09 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 1j5p h ALA 60 CO -0.07 0.65 0.43 0.28 0.00 0.00 0.00 179.25 180.55 1j5p h VAL 61 N 1.17 1.16 -0.17 0.00 2.07 -0.88 -1.55 116.25 118.04 1j5p h VAL 61 Ca 0.28 -0.30 -0.15 0.00 0.82 0.00 0.00 66.70 67.35 1j5p h VAL 61 Cb 0.15 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1j5p h VAL 61 CO -0.03 0.16 -0.52 0.11 0.02 0.00 0.00 177.57 177.31 1j5p h LYS 62 N 0.88 0.48 -0.19 1.57 1.57 -1.07 -2.58 116.57 117.22 1j5p h LYS 62 Ca 0.25 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1j5p h LYS 62 Cb -0.08 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1j5p h LYS 62 CO -0.06 0.88 -0.09 0.93 -0.57 0.00 0.00 179.45 180.53 1j5p h GLU 63 N 0.37 0.40 0.00 3.15 5.08 -0.78 -3.38 114.58 119.42 1j5p h GLU 63 Ca 0.01 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1j5p h GLU 63 Cb 1.03 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1j5p h GLU 63 CO 0.09 0.69 -0.77 0.66 -1.00 0.00 0.00 179.01 178.69 1j5p n TYR 64 N -4.58 0.00 -0.30 4.33 4.01 -0.62 -4.65 117.16 115.35 1j5p n TYR 64 Ca -0.05 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.71 1j5p n TYR 64 Cb 0.32 -0.02 0.15 0.00 -0.31 0.00 0.00 39.34 39.48 1j5p n TYR 64 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1j5p h SER 65 N 0.00 0.75 0.12 7.72 0.02 -1.64 -0.37 113.55 120.15 1j5p h SER 65 Ca 0.00 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1j5p h SER 65 Cb 0.37 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.75 1j5p h SER 65 CO 0.00 0.45 -0.51 -0.07 -1.14 0.00 0.00 176.83 175.56 1j5p h LEU 66 N 0.87 -1.54 -0.05 5.07 3.38 -1.82 -1.16 115.31 120.06 1j5p h LEU 66 Ca 0.38 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.52 1j5p h LEU 66 Cb 0.27 0.57 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1j5p h LEU 66 CO -0.21 -0.55 0.03 -0.61 0.09 0.00 0.00 178.44 177.19 1j5p h GLN 67 N -0.74 0.07 -0.73 1.13 4.15 -1.79 -3.03 115.11 114.16 1j5p h GLN 67 Ca -0.00 -0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.54 1j5p h GLN 67 Cb 0.75 -0.01 -0.09 0.00 0.21 0.00 0.00 27.48 28.34 1j5p h GLN 67 CO -0.28 0.11 0.31 0.82 -1.93 0.00 0.00 178.83 177.85 1j5p h ILE 68 N 0.01 0.72 0.00 2.39 2.04 -0.89 -0.07 117.51 121.71 1j5p h ILE 68 Ca 0.02 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1j5p h ILE 68 Cb 0.06 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1j5p h ILE 68 CO -0.00 0.09 0.00 0.18 0.00 0.00 0.00 178.15 178.42 1j5p n LEU 69 N -4.96 0.14 0.03 1.44 4.77 -0.45 -0.85 117.00 117.11 1j5p n LEU 69 Ca 0.13 0.55 0.13 0.00 -0.03 0.00 0.00 56.01 56.79 1j5p n LEU 69 Cb 0.36 -0.56 0.47 0.00 -2.33 0.00 0.00 43.42 41.36 1j5p n LEU 69 CO 0.20 -0.51 0.79 0.29 -1.33 0.00 0.00 177.39 176.83 1j5p n LYS 70 N -1.67 0.08 -3.95 3.23 5.02 -0.04 -3.94 118.16 116.89 1j5p n LYS 70 Ca 0.01 0.05 -0.32 0.00 -2.02 0.00 0.00 58.31 56.03 1j5p n LYS 70 Cb 0.07 -1.58 -0.05 0.00 -0.02 0.00 0.00 35.03 33.45 1j5p n LYS 70 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1j5p s ASN 71 N -3.41 6.19 -1.52 4.39 0.01 -0.03 -4.79 114.94 115.76 1j5p s ASN 71 Ca 0.12 0.25 -0.12 0.00 -0.71 0.00 0.00 52.86 52.39 1j5p s ASN 71 Cb 0.17 -1.88 -0.01 0.00 0.41 0.00 0.00 41.25 39.94 1j5p s ASN 71 CO 0.59 0.21 2.51 -0.81 -1.51 0.00 0.00 177.10 178.09 1j5p n PRO 72 N 0.63 3.18 -4.37 -0.60 -0.04 -1.26 -3.44 135.00 129.10 1j5p n PRO 72 Ca -0.08 -2.45 -0.19 0.00 -0.04 0.00 0.00 63.50 60.73 1j5p n PRO 72 Cb 0.52 -3.10 -0.10 0.00 -0.04 0.00 0.00 33.50 30.77 1j5p n PRO 72 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1j5p s VAL 73 N 2.79 1.46 -0.00 0.52 -7.23 -1.26 -4.90 120.40 111.78 1j5p s VAL 73 Ca 0.56 -2.11 -0.23 0.00 -1.81 0.00 0.00 61.98 58.38 1j5p s VAL 73 Cb 0.16 -2.30 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 1j5p s VAL 73 CO -0.08 -0.40 0.70 0.20 -0.31 0.00 0.00 175.10 175.21 1j5p s ASN 74 N -3.36 7.08 -0.25 4.85 0.01 -0.60 -1.43 114.94 121.24 1j5p s ASN 74 Ca 0.27 1.29 0.02 0.00 -0.71 0.00 0.00 52.86 53.72 1j5p s ASN 74 Cb 0.03 -2.42 0.06 0.00 0.41 0.00 0.00 41.25 39.33 1j5p s ASN 74 CO 0.09 0.01 -0.07 -0.47 -1.51 0.00 0.00 177.10 175.15 1j5p s TYR 75 N 0.13 2.71 -0.23 2.20 5.04 0.15 -0.06 117.35 127.29 1j5p s TYR 75 Ca 0.36 -1.97 -0.10 0.00 -2.44 0.00 0.00 57.07 52.92 1j5p s TYR 75 Cb -0.19 -1.72 -0.05 0.00 0.35 0.00 0.00 41.96 40.35 1j5p s TYR 75 CO 0.20 -0.81 0.15 0.42 -1.34 0.00 0.00 175.55 174.17 1j5p s ILE 76 N 1.29 5.37 -0.05 3.14 1.01 -0.35 -0.27 121.20 131.35 1j5p s ILE 76 Ca -0.07 0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.83 1j5p s ILE 76 Cb -0.19 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 1j5p s ILE 76 CO -0.06 0.37 -0.24 -0.63 0.00 0.00 0.00 174.94 174.37 1j5p s ILE 77 N 0.90 1.99 0.00 2.92 1.01 -0.64 -1.13 121.20 126.26 1j5p s ILE 77 Ca 0.08 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.69 1j5p s ILE 77 Cb -0.13 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.66 1j5p s ILE 77 CO 0.03 0.55 0.00 2.30 0.00 0.00 0.00 174.94 177.82 1j5p n ILE 78 N 2.92 0.00 -1.95 2.92 -5.35 -1.23 -4.23 119.36 112.45 1j5p n ILE 78 Ca -0.17 -0.14 -0.40 0.00 -0.27 0.00 0.00 62.75 61.76 1j5p n ILE 78 Cb 0.52 0.61 -0.01 0.00 -1.74 0.00 0.00 39.64 39.03 1j5p n ILE 78 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1j5p n SER 79 N -1.07 7.85 0.15 7.28 7.64 -1.26 -4.70 113.62 129.51 1j5p n SER 79 Ca 0.00 -3.08 0.12 0.00 1.01 0.00 0.00 58.87 56.92 1j5p n SER 79 Cb 0.00 -1.39 0.54 0.00 -1.01 0.00 0.00 64.21 62.35 1j5p n SER 79 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1j5p h THR 80 N 2.75 0.00 0.00 0.44 1.35 -1.86 -2.94 112.91 112.65 1j5p h THR 80 Ca 0.70 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 66.38 1j5p h THR 80 Cb 0.33 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1j5p h THR 80 CO 1.53 0.00 0.11 0.77 -0.25 0.00 0.00 175.52 177.67 1j5p h SER 81 N 0.00 0.00 -0.27 5.36 4.64 -1.78 0.41 113.55 121.91 1j5p h SER 81 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j5p h SER 81 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1j5p h SER 81 CO 0.00 0.00 0.16 0.00 -0.87 0.00 0.00 176.83 176.12 1j5p h ALA 82 N 1.77 1.73 0.00 5.18 0.00 -1.80 -1.93 119.26 124.22 1j5p h ALA 82 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1j5p h ALA 82 Cb 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1j5p h ALA 82 CO 0.00 0.23 0.00 1.19 0.00 0.00 0.00 179.25 180.67 1j5p n PHE 83 N -4.46 0.00 0.35 0.00 3.01 0.13 -2.40 117.46 114.10 1j5p n PHE 83 Ca 0.01 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.55 1j5p n PHE 83 Cb 0.09 -0.32 0.33 0.00 -0.01 0.00 0.00 39.48 39.58 1j5p n PHE 83 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1j5p n ALA 84 N -1.32 1.49 -2.72 4.37 0.00 -0.72 -4.34 120.51 117.26 1j5p n ALA 84 Ca 0.09 0.02 -0.43 0.00 0.00 0.00 0.00 53.44 53.11 1j5p n ALA 84 Cb 0.17 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 1j5p n ALA 84 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1j5p s ASP 85 N -3.42 6.27 0.21 0.00 -1.08 -1.01 -4.77 116.67 112.88 1j5p s ASP 85 Ca 0.04 -0.60 -0.10 0.00 -0.52 0.00 0.00 52.55 51.37 1j5p s ASP 85 Cb 0.07 -2.42 0.31 0.00 -1.46 0.00 0.00 42.92 39.42 1j5p s ASP 85 CO 0.25 -1.27 1.67 -0.33 0.52 0.00 0.00 175.17 176.01 1j5p h GLU 86 N 9.37 0.15 0.14 4.34 5.08 -1.90 0.18 114.58 131.95 1j5p h GLU 86 Ca -0.27 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1j5p h GLU 86 Cb 1.07 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1j5p h GLU 86 CO 1.11 0.10 -0.16 0.28 -1.00 0.00 0.00 179.01 179.34 1j5p h VAL 87 N 0.15 0.65 -0.31 3.13 2.07 -1.94 0.81 116.25 120.80 1j5p h VAL 87 Ca 0.33 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.84 1j5p h VAL 87 Cb 0.53 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1j5p h VAL 87 CO -0.50 0.00 0.19 0.15 0.02 0.00 0.00 177.57 177.43 1j5p h PHE 88 N -0.34 0.42 -0.38 1.57 3.57 -1.78 -0.97 116.94 119.02 1j5p h PHE 88 Ca 0.01 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1j5p h PHE 88 Cb 0.33 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.87 1j5p h PHE 88 CO -0.14 0.31 0.02 -0.09 -2.23 0.00 0.00 178.31 176.18 1j5p h ARG 89 N 0.40 0.13 -0.25 1.11 2.43 -0.37 0.46 114.38 118.28 1j5p h ARG 89 Ca 0.11 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1j5p h ARG 89 Cb 0.01 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1j5p h ARG 89 CO -0.02 0.08 0.15 1.49 -1.51 0.00 0.00 179.97 180.16 1j5p h GLU 90 N 0.13 0.30 -0.26 0.20 4.22 -0.60 -2.64 114.58 115.93 1j5p h GLU 90 Ca 0.19 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.60 1j5p h GLU 90 Cb 0.25 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1j5p h GLU 90 CO -0.29 0.20 0.13 -0.09 -2.18 0.00 0.00 179.01 176.77 1j5p h ARG 91 N 0.31 0.37 0.20 1.92 2.43 -0.37 -2.14 114.38 117.10 1j5p h ARG 91 Ca 0.10 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1j5p h ARG 91 Cb -0.01 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 1j5p h ARG 91 CO -0.04 0.37 -0.43 0.35 -1.51 0.00 0.00 179.97 178.71 1j5p h PHE 92 N 0.29 -1.20 0.00 2.20 3.57 0.07 -1.49 116.94 120.39 1j5p h PHE 92 Ca 0.09 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1j5p h PHE 92 Cb 0.11 0.50 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1j5p h PHE 92 CO -0.02 -0.54 0.00 0.74 -2.23 0.00 0.00 178.31 176.26 1j5p h PHE 93 N -0.72 0.00 -0.04 0.41 -1.00 -1.50 -1.59 116.94 112.50 1j5p h PHE 93 Ca 0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 1j5p h PHE 93 Cb 0.71 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.27 1j5p h PHE 93 CO -0.33 0.00 -0.04 0.77 -1.61 0.00 0.00 178.31 177.10 1j5p h SER 94 N 0.00 0.10 -0.70 2.17 0.02 -0.67 -3.02 113.55 111.46 1j5p h SER 94 Ca 0.00 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.46 1j5p h SER 94 Cb 0.43 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1j5p h SER 94 CO 0.00 0.56 0.39 -0.33 -1.14 0.00 0.00 176.83 176.31 1j5p h GLU 95 N -0.35 0.96 -0.96 3.45 5.08 -0.85 -3.01 114.58 118.91 1j5p h GLU 95 Ca 0.01 -0.10 0.14 0.00 -1.00 0.00 0.00 59.36 58.40 1j5p h GLU 95 Cb 0.53 -0.19 -0.08 0.00 0.50 0.00 0.00 28.75 29.50 1j5p h GLU 95 CO 0.01 0.71 0.61 1.25 -1.00 0.00 0.00 179.01 180.59 1j5p h LEU 96 N 0.95 0.80 -2.04 1.33 5.85 -1.26 -0.12 115.31 120.82 1j5p h LEU 96 Ca 0.25 0.05 0.02 0.00 0.84 0.00 0.00 57.88 59.04 1j5p h LEU 96 Cb 0.02 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 1j5p h LEU 96 CO -0.04 0.40 0.05 0.11 -0.34 0.00 0.00 178.44 178.62 1j5p h LYS 97 N 0.84 0.00 -0.66 1.25 1.57 -1.40 0.84 116.57 119.01 1j5p h LYS 97 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 1j5p h LYS 97 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1j5p h LYS 97 CO -0.25 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.72 1j5p n ASN 98 N -4.45 3.84 -4.87 0.86 5.03 -0.12 -4.99 115.26 110.57 1j5p n ASN 98 Ca -0.01 -2.03 -0.35 0.00 0.87 0.00 0.00 54.58 53.05 1j5p n ASN 98 Cb 0.16 -0.45 -0.05 0.00 -1.02 0.00 0.00 39.78 38.41 1j5p n ASN 98 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1j5p s SER 99 N -1.00 6.64 0.00 6.41 0.15 0.29 -4.97 113.70 121.21 1j5p s SER 99 Ca 0.45 0.78 0.27 0.00 0.70 0.00 0.00 55.95 58.15 1j5p s SER 99 Cb 0.24 -2.17 1.20 0.00 -1.71 0.00 0.00 66.02 63.57 1j5p s SER 99 CO 0.30 0.21 1.82 -0.81 1.20 0.00 0.00 173.24 175.95 1j5p n PRO 100 N 1.07 1.49 -2.45 5.44 -0.04 -1.25 -4.90 135.00 134.35 1j5p n PRO 100 Ca -0.09 -0.72 -0.24 0.00 -0.04 0.00 0.00 63.50 62.41 1j5p n PRO 100 Cb 0.52 -1.46 0.08 0.00 -0.04 0.00 0.00 33.50 32.60 1j5p n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j5p s ALA 101 N -1.97 3.53 -0.05 0.55 0.00 -1.22 -4.37 121.76 118.23 1j5p s ALA 101 Ca 0.39 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1j5p s ALA 101 Cb 0.20 -2.25 0.02 0.00 0.00 0.00 0.00 23.12 21.10 1j5p s ALA 101 CO 0.32 -1.23 -0.04 0.50 0.00 0.00 0.00 175.76 175.32 1j5p s ARG 102 N -5.09 0.80 -0.14 0.00 3.52 -0.52 -4.95 118.95 112.59 1j5p s ARG 102 Ca 0.62 -0.09 -0.05 0.00 -0.13 0.00 0.00 55.73 56.08 1j5p s ARG 102 Cb -0.08 -0.84 -0.04 0.00 -1.56 0.00 0.00 34.95 32.43 1j5p s ARG 102 CO 0.43 -0.10 0.03 0.08 -0.81 0.00 0.00 175.30 174.93 1j5p s VAL 103 N 0.99 4.53 -0.07 7.11 1.01 -1.26 0.30 120.40 133.01 1j5p s VAL 103 Ca -0.10 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.79 1j5p s VAL 103 Cb -0.14 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 1j5p s VAL 103 CO -0.00 0.54 -0.24 -0.36 0.00 0.00 0.00 175.10 175.03 1j5p s PHE 104 N -0.24 2.49 -0.60 5.22 0.40 0.63 -4.94 117.98 120.94 1j5p s PHE 104 Ca 0.07 -0.82 0.04 0.00 -0.60 0.00 0.00 56.93 55.61 1j5p s PHE 104 Cb -0.12 -1.64 0.15 0.00 0.51 0.00 0.00 43.02 41.92 1j5p s PHE 104 CO 0.02 -0.28 0.37 -0.06 0.70 0.00 0.00 175.22 175.97 1j5p s PHE 105 N 0.00 3.36 0.76 0.36 0.08 -1.26 -1.61 117.98 119.66 1j5p s PHE 105 Ca -0.09 -3.21 -0.14 0.00 0.12 0.00 0.00 56.93 53.61 1j5p s PHE 105 Cb -0.15 -2.82 0.05 0.00 -0.57 0.00 0.00 43.02 39.53 1j5p s PHE 105 CO 0.05 -0.68 1.20 -1.25 -0.10 0.00 0.00 175.22 174.44 1j5p s PRO 106 N -0.74 2.00 0.59 0.24 0.04 -1.26 -4.88 135.00 130.99 1j5p s PRO 106 Ca 0.20 1.72 0.37 0.00 0.04 0.00 0.00 61.00 63.32 1j5p s PRO 106 Cb -0.17 -1.82 1.84 0.00 0.04 0.00 0.00 34.50 34.39 1j5p s PRO 106 CO -0.07 -1.93 2.17 0.77 0.04 0.00 0.00 177.00 177.99 1j5p h SER 107 N -0.52 0.00 0.00 6.66 0.02 -1.90 -3.47 113.55 114.33 1j5p h SER 107 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1j5p h SER 107 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1j5p h SER 107 CO 0.49 0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.82 1j5p n GLY 108 N -0.63 4.10 0.00 -3.77 0.00 -1.26 -2.69 105.19 100.94 1j5p n GLY 108 Ca -0.02 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1j5p n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j5p n ALA 109 N 12.50 2.37 -4.12 4.61 0.00 -1.26 -3.72 120.51 130.89 1j5p n ALA 109 Ca 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.17 1j5p n ALA 109 Cb 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.97 1j5p n ALA 109 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1j5p n ILE 110 N -1.28 0.00 -4.13 0.00 -5.35 -1.09 -4.96 119.36 102.54 1j5p n ILE 110 Ca 0.13 -1.10 -0.16 0.00 -0.27 0.00 0.00 62.75 61.35 1j5p n ILE 110 Cb 0.22 0.32 -0.05 0.00 -1.74 0.00 0.00 39.64 38.38 1j5p n ILE 110 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1j5p s GLY 111 N -2.21 1.70 0.00 3.28 0.00 -1.26 -4.75 107.32 104.07 1j5p s GLY 111 Ca 0.05 -1.66 0.00 0.00 0.00 0.00 0.00 44.72 43.12 1j5p s GLY 111 CO 0.04 -1.11 0.00 0.61 0.00 0.00 0.00 173.10 172.64 1j5p n GLY 112 N -0.58 0.75 0.03 0.20 0.00 -1.26 -4.92 105.19 99.41 1j5p n GLY 112 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1j5p n GLY 112 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j5p n LEU 113 N 0.00 0.20 -0.03 0.99 4.77 -1.26 -2.01 117.00 119.67 1j5p n LEU 113 Ca 0.00 0.54 -0.13 0.00 -0.03 0.00 0.00 56.01 56.39 1j5p n LEU 113 Cb 0.00 -0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 40.52 1j5p n LEU 113 CO 0.00 -0.22 0.67 -2.24 -1.33 0.00 0.00 177.39 174.28 1j5p h ASP 114 N 0.00 0.14 -0.00 -1.43 2.03 -1.91 -1.94 116.42 113.31 1j5p h ASP 114 Ca 0.00 -0.40 -0.00 0.00 -0.73 0.00 0.00 57.03 55.90 1j5p h ASP 114 Cb 0.40 -0.04 -0.00 0.00 -0.83 0.00 0.00 39.33 38.86 1j5p h ASP 114 CO 0.00 0.52 0.00 0.58 -1.03 0.00 0.00 179.24 179.31 1j5p h VAL 115 N -0.23 1.13 -0.65 4.15 2.07 -1.86 -2.64 116.25 118.22 1j5p h VAL 115 Ca 0.02 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.22 1j5p h VAL 115 Cb 0.46 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.56 1j5p h VAL 115 CO 0.01 0.10 0.34 0.25 0.02 0.00 0.00 177.57 178.29 1j5p h LEU 116 N -0.16 0.47 -0.84 2.57 5.85 -1.43 -1.59 115.31 120.18 1j5p h LEU 116 Ca 0.00 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1j5p h LEU 116 Cb 0.16 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1j5p h LEU 116 CO -0.00 0.30 -0.21 0.77 -0.34 0.00 0.00 178.44 178.95 1j5p h SER 117 N 0.61 0.00 -0.22 1.25 4.64 -1.35 -0.99 113.55 117.49 1j5p h SER 117 Ca 0.30 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.45 1j5p h SER 117 Cb 0.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1j5p h SER 117 CO -0.21 0.21 -0.54 0.28 -0.87 0.00 0.00 176.83 175.70 1j5p h SER 118 N 0.00 0.90 -0.18 4.97 0.02 -0.93 -3.31 113.55 115.02 1j5p h SER 118 Ca -0.00 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1j5p h SER 118 Cb 0.85 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1j5p h SER 118 CO 0.03 1.26 0.00 2.30 -1.14 0.00 0.00 176.83 179.28 1j5p n ILE 119 N -4.00 2.13 -0.32 3.27 -5.35 -0.85 -4.83 119.36 109.41 1j5p n ILE 119 Ca -0.04 -1.98 0.19 0.00 -0.27 0.00 0.00 62.75 60.66 1j5p n ILE 119 Cb 0.62 -0.23 0.38 0.00 -1.74 0.00 0.00 39.64 38.67 1j5p n ILE 119 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 1j5p h LYS 120 N 1.24 0.12 0.00 6.28 2.10 -1.27 0.91 116.57 125.95 1j5p h LYS 120 Ca 0.00 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.62 1j5p h LYS 120 Cb 1.29 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1j5p h LYS 120 CO 0.15 0.08 -0.10 -0.44 -2.00 0.00 0.00 179.45 177.14 1j5p h ASP 121 N 0.13 0.00 -0.03 7.07 3.32 -1.88 -2.81 116.42 122.22 1j5p h ASP 121 Ca 0.66 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.71 1j5p h ASP 121 Cb 1.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.02 1j5p h ASP 121 CO -0.75 0.10 0.00 0.49 -1.72 0.00 0.00 179.24 177.36 1j5p n PHE 122 N -3.59 0.01 -2.30 4.55 3.01 0.31 -4.95 117.46 114.51 1j5p n PHE 122 Ca -0.02 -0.01 -0.42 0.00 1.01 0.00 0.00 57.45 58.01 1j5p n PHE 122 Cb 0.22 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.66 1j5p n PHE 122 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1j5p s VAL 123 N -1.99 3.87 -0.11 -4.37 1.01 -1.06 -1.43 120.40 116.33 1j5p s VAL 123 Ca 0.31 1.24 -0.16 0.00 0.00 0.00 0.00 61.98 63.37 1j5p s VAL 123 Cb 0.20 -3.80 -0.27 0.00 0.00 0.00 0.00 36.38 32.51 1j5p s VAL 123 CO 0.31 -0.00 0.56 0.11 0.00 0.00 0.00 175.10 176.08 1j5p h LYS 124 N 7.71 0.23 -2.50 2.72 1.57 -0.75 -3.48 116.57 122.07 1j5p h LYS 124 Ca -0.37 -0.40 0.05 0.00 -1.87 0.00 0.00 60.65 58.07 1j5p h LYS 124 Cb 1.17 0.15 -0.15 0.00 0.08 0.00 0.00 32.23 33.48 1j5p h LYS 124 CO 0.90 1.19 0.37 0.54 -0.57 0.00 0.00 179.45 181.88 1j5p s ASN 125 N -7.00 -0.46 -0.05 0.86 2.20 -1.11 -4.90 114.94 104.48 1j5p s ASN 125 Ca -0.20 0.06 0.01 0.00 -0.94 0.00 0.00 52.86 51.79 1j5p s ASN 125 Cb 0.04 0.47 0.02 0.00 -2.00 0.00 0.00 41.25 39.78 1j5p s ASN 125 CO 0.76 -0.74 -0.04 -0.69 -2.94 0.00 0.00 177.10 173.45 1j5p s VAL 126 N -3.14 0.55 -0.17 3.54 1.01 0.11 -1.73 120.40 120.57 1j5p s VAL 126 Ca 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 1j5p s VAL 126 Cb -0.01 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.78 1j5p s VAL 126 CO -0.09 0.24 -0.12 -0.13 0.00 0.00 0.00 175.10 175.00 1j5p s ARG 127 N 1.08 3.26 -0.15 2.72 0.52 -0.43 -1.27 118.95 124.68 1j5p s ARG 127 Ca -0.08 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.42 1j5p s ARG 127 Cb -0.14 -2.74 -0.00 0.00 0.52 0.00 0.00 34.95 32.59 1j5p s ARG 127 CO -0.01 -0.05 -0.17 -1.50 0.02 0.00 0.00 175.30 173.59 1j5p s ILE 128 N 1.01 2.56 -0.12 1.52 2.07 -0.09 -1.20 121.20 126.96 1j5p s ILE 128 Ca -0.01 -0.81 0.01 0.00 -1.41 0.00 0.00 60.65 58.43 1j5p s ILE 128 Cb -0.15 -2.07 -0.01 0.00 0.13 0.00 0.00 42.46 40.37 1j5p s ILE 128 CO -0.02 0.52 -0.17 -0.70 -1.91 0.00 0.00 174.94 172.66 1j5p s GLU 129 N 0.73 3.25 -0.20 3.50 2.12 -0.08 -0.98 118.70 127.04 1j5p s GLU 129 Ca -0.07 -0.76 -0.02 0.00 0.36 0.00 0.00 54.97 54.48 1j5p s GLU 129 Cb -0.16 -2.50 -0.00 0.00 0.26 0.00 0.00 34.13 31.73 1j5p s GLU 129 CO 0.01 0.21 -0.09 0.99 -0.54 0.00 0.00 175.26 175.84 1j5p s THR 130 N 0.33 3.05 -0.18 -1.70 2.01 -0.34 -0.77 115.64 118.04 1j5p s THR 130 Ca -0.14 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.22 1j5p s THR 130 Cb -0.17 -2.36 -0.02 0.00 0.01 0.00 0.00 72.50 69.96 1j5p s THR 130 CO 0.07 0.46 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.79 1j5p s ILE 131 N 1.36 3.74 0.17 1.82 1.01 -0.14 -0.66 121.20 128.49 1j5p s ILE 131 Ca 0.04 -0.39 0.07 0.00 0.00 0.00 0.00 60.65 60.37 1j5p s ILE 131 Cb -0.14 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 1j5p s ILE 131 CO -0.05 0.46 -0.15 -0.54 0.00 0.00 0.00 174.94 174.66 1j5p s LYS 132 N 0.82 1.21 0.25 2.79 1.02 0.38 -1.05 119.74 125.17 1j5p s LYS 132 Ca -0.01 -1.45 -0.30 0.00 0.02 0.00 0.00 55.97 54.24 1j5p s LYS 132 Cb -0.14 -1.05 -0.09 0.00 -0.52 0.00 0.00 37.83 36.02 1j5p s LYS 132 CO 0.02 0.19 1.19 -2.14 -0.92 0.00 0.00 175.35 173.68 1j5p s PRO 133 N -3.23 4.52 0.37 -1.68 0.02 -1.26 -0.81 135.00 132.93 1j5p s PRO 133 Ca 0.17 1.93 0.13 0.00 0.02 0.00 0.00 61.00 63.25 1j5p s PRO 133 Cb -0.02 -3.18 0.96 0.00 0.02 0.00 0.00 34.50 32.27 1j5p s PRO 133 CO 0.05 0.01 1.82 -1.35 -0.33 0.00 0.00 177.00 177.20 1j5p h PRO 134 N 4.29 0.52 -0.76 5.54 0.11 -1.84 -0.65 132.00 139.21 1j5p h PRO 134 Ca -0.46 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 65.76 1j5p h PRO 134 Cb 1.22 -0.12 -0.10 0.00 0.11 0.00 0.00 31.00 32.11 1j5p h PRO 134 CO 0.70 0.35 0.30 -0.22 -0.21 0.00 0.00 178.00 178.92 1j5p h LYS 135 N 0.54 0.43 0.00 1.05 3.64 -1.90 0.50 116.57 120.82 1j5p h LYS 135 Ca 0.52 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 1j5p h LYS 135 Cb 1.11 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1j5p h LYS 135 CO -0.26 0.28 0.00 -1.13 -2.27 0.00 0.00 179.45 176.07 1j5p n SER 136 N -5.01 0.59 -0.46 4.20 3.41 -0.25 -0.38 113.62 115.72 1j5p n SER 136 Ca 0.15 0.76 0.06 0.00 -0.26 0.00 0.00 58.87 59.57 1j5p n SER 136 Cb 0.43 -0.84 0.06 0.00 -0.26 0.00 0.00 64.21 63.59 1j5p n SER 136 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1j5p n LEU 137 N -2.27 2.01 -1.93 1.04 4.32 0.16 -4.98 117.00 115.34 1j5p n LEU 137 Ca -0.01 -1.08 -0.15 0.00 -0.02 0.00 0.00 56.01 54.75 1j5p n LEU 137 Cb 0.06 -0.02 0.01 0.00 -1.62 0.00 0.00 43.42 41.86 1j5p n LEU 137 CO 0.11 0.40 -0.06 0.61 -1.22 0.00 0.00 177.39 177.23 1j5p n GLY 138 N 0.62 -0.15 3.53 -0.72 0.00 0.49 -5.02 105.19 103.94 1j5p n GLY 138 Ca 0.07 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 1j5p n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j5p s LEU 139 N -4.44 2.81 -0.20 0.99 1.43 -0.67 -4.99 118.68 113.61 1j5p s LEU 139 Ca 0.14 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 1j5p s LEU 139 Cb -0.06 -1.49 0.04 0.00 0.03 0.00 0.00 46.19 44.71 1j5p s LEU 139 CO 0.17 0.10 -0.13 1.51 0.23 0.00 0.00 176.35 178.23 1j5p s ASP 140 N -2.88 3.51 0.05 2.29 1.47 -1.26 -3.86 116.67 115.99 1j5p s ASP 140 Ca 0.24 -0.91 0.05 0.00 1.18 0.00 0.00 52.55 53.11 1j5p s ASP 140 Cb -0.08 -1.35 -0.02 0.00 -0.34 0.00 0.00 42.92 41.12 1j5p s ASP 140 CO 0.14 -0.11 -0.14 -0.76 0.68 0.00 0.00 175.17 174.98 1j5p s LEU 141 N 1.31 2.21 0.04 2.11 1.43 -1.26 -5.02 118.68 119.51 1j5p s LEU 141 Ca -0.01 -0.51 0.23 0.00 -1.03 0.00 0.00 54.13 52.80 1j5p s LEU 141 Cb -0.16 -0.55 -0.01 0.00 0.03 0.00 0.00 46.19 45.50 1j5p s LEU 141 CO -0.09 -0.01 0.97 0.29 0.23 0.00 0.00 176.35 177.74 1j5p n LYS 142 N 1.67 0.29 -3.75 1.70 4.76 -1.26 -4.72 118.16 116.85 1j5p n LYS 142 Ca -0.19 -0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.13 1j5p n LYS 142 Cb 0.54 -1.58 -0.05 0.00 -1.84 0.00 0.00 35.03 32.11 1j5p n LYS 142 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1j5p s GLY 143 N -3.66 -0.03 0.39 0.72 0.00 -1.26 -4.95 107.32 98.52 1j5p s GLY 143 Ca 0.03 -0.33 -0.28 0.00 0.00 0.00 0.00 44.72 44.15 1j5p s GLY 143 CO 0.82 -0.45 1.48 0.58 0.00 0.00 0.00 173.10 175.52 1j5p n LYS 144 N -0.24 2.61 -3.83 2.90 2.85 -1.26 -4.66 118.16 116.54 1j5p n LYS 144 Ca -0.12 0.92 -0.13 0.00 -1.05 0.00 0.00 58.31 57.92 1j5p n LYS 144 Cb 0.63 -2.66 -0.14 0.00 -0.65 0.00 0.00 35.03 32.21 1j5p n LYS 144 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1j5p s THR 145 N -1.13 -0.02 -0.03 0.58 2.01 -0.25 -4.99 115.64 111.81 1j5p s THR 145 Ca 0.54 0.07 -0.29 0.00 0.31 0.00 0.00 61.69 62.32 1j5p s THR 145 Cb -0.47 -0.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 1j5p s THR 145 CO 0.63 0.03 0.95 -0.69 -0.69 0.00 0.00 174.62 174.85 1j5p s VAL 146 N 0.37 4.87 -0.54 3.82 1.01 -1.26 -0.61 120.40 128.06 1j5p s VAL 146 Ca -0.03 1.97 0.12 0.00 0.00 0.00 0.00 61.98 64.04 1j5p s VAL 146 Cb -0.04 -4.28 -0.13 0.00 0.00 0.00 0.00 36.38 31.92 1j5p s VAL 146 CO -0.01 0.13 0.50 1.33 0.00 0.00 0.00 175.10 177.05 1j5p n VAL 147 N 4.05 0.00 -3.62 2.92 0.24 0.01 -4.94 118.33 116.99 1j5p n VAL 147 Ca 0.06 -0.22 -0.10 0.00 -2.04 0.00 0.00 64.34 62.04 1j5p n VAL 147 Cb 0.50 0.96 -0.07 0.00 -1.47 0.00 0.00 33.84 33.77 1j5p n VAL 147 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1j5p s PHE 148 N -2.18 -0.47 -0.20 6.34 2.19 -1.14 -4.98 117.98 117.54 1j5p s PHE 148 Ca 0.04 1.07 -0.09 0.00 0.33 0.00 0.00 56.93 58.28 1j5p s PHE 148 Cb 0.09 0.38 0.08 0.00 -1.31 0.00 0.00 43.02 42.26 1j5p s PHE 148 CO 0.50 -0.26 0.46 -2.00 1.83 0.00 0.00 175.22 175.74 1j5p s GLU 149 N -0.06 0.40 0.00 10.12 2.12 -1.26 -0.94 118.70 129.08 1j5p s GLU 149 Ca 0.02 0.99 0.00 0.00 0.36 0.00 0.00 54.97 56.34 1j5p s GLU 149 Cb -0.04 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.57 1j5p s GLU 149 CO -0.04 -0.20 0.00 0.41 -0.54 0.00 0.00 175.26 174.89 1j5p n GLY 150 N 4.87 -0.54 3.83 -1.50 0.00 -0.61 -5.01 105.19 106.23 1j5p n GLY 150 Ca -0.15 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 1j5p n GLY 150 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j5p s SER 151 N -4.00 4.69 0.17 1.61 1.04 -1.26 -0.78 113.70 115.17 1j5p s SER 151 Ca 0.00 1.19 -0.10 0.00 0.48 0.00 0.00 55.95 57.51 1j5p s SER 151 Cb 0.00 -1.91 0.05 0.00 0.10 0.00 0.00 66.02 64.26 1j5p s SER 151 CO 0.00 -1.83 1.64 0.58 0.98 0.00 0.00 173.24 174.61 1j5p h VAL 152 N -0.99 1.26 -0.65 5.02 2.07 -1.86 -2.09 116.25 119.01 1j5p h VAL 152 Ca -0.47 -1.10 0.02 0.00 0.82 0.00 0.00 66.70 65.97 1j5p h VAL 152 Cb 1.27 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 1j5p h VAL 152 CO 0.61 0.40 0.42 -0.08 0.02 0.00 0.00 177.57 178.94 1j5p h GLU 153 N 0.90 0.82 -0.62 1.57 4.81 -1.94 -0.64 114.58 119.47 1j5p h GLU 153 Ca 0.17 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 1j5p h GLU 153 Cb 0.52 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1j5p h GLU 153 CO 0.02 0.54 0.01 0.93 -0.73 0.00 0.00 179.01 179.79 1j5p h GLU 154 N 0.84 1.08 -0.44 1.92 5.08 -1.90 -2.85 114.58 118.31 1j5p h GLU 154 Ca 0.25 -0.34 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 1j5p h GLU 154 Cb -0.05 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1j5p h GLU 154 CO -0.07 1.04 -0.19 0.00 -1.00 0.00 0.00 179.01 178.79 1j5p h ALA 155 N 1.01 0.84 -0.05 3.43 0.00 -0.95 -2.59 119.26 120.94 1j5p h ALA 155 Ca 0.18 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1j5p h ALA 155 Cb 0.55 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1j5p h ALA 155 CO 0.03 0.64 -0.21 1.03 0.00 0.00 0.00 179.25 180.74 1j5p h SER 156 N 0.75 0.08 -0.09 0.00 0.87 -1.04 0.25 113.55 114.37 1j5p h SER 156 Ca 0.11 -0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.54 1j5p h SER 156 Cb 0.72 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1j5p h SER 156 CO 0.06 0.30 -0.38 0.11 -0.53 0.00 0.00 176.83 176.39 1j5p h LYS 157 N 0.08 0.42 0.00 2.24 1.57 -1.26 -1.97 116.57 117.65 1j5p h LYS 157 Ca 0.01 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 58.40 1j5p h LYS 157 Cb 0.42 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1j5p h LYS 157 CO 0.03 0.96 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.48 1j5p h LEU 158 N -0.02 0.00 -5.47 2.94 4.07 -1.23 -3.34 115.31 112.26 1j5p h LEU 158 Ca -0.02 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.41 1j5p h LEU 158 Cb 1.02 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 42.35 1j5p h LEU 158 CO 0.08 0.32 -0.92 0.49 -1.08 0.00 0.00 178.44 177.32 1j5p n PHE 159 N -3.21 2.19 -0.11 1.13 3.72 0.85 -4.93 117.46 117.09 1j5p n PHE 159 Ca 0.02 -3.73 0.21 0.00 -0.05 0.00 0.00 57.45 53.90 1j5p n PHE 159 Cb 0.63 -0.41 0.32 0.00 -0.94 0.00 0.00 39.48 39.08 1j5p n PHE 159 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1j5p n PRO 160 N -0.04 0.01 0.00 -1.08 -0.02 -0.74 -1.63 135.00 131.50 1j5p n PRO 160 Ca 0.27 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.64 1j5p n PRO 160 Cb 0.56 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1j5p n PRO 160 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1j5p n ARG 161 N -2.88 0.00 0.00 -0.52 1.85 -1.26 -4.93 116.66 108.91 1j5p n ARG 161 Ca 0.17 0.15 0.00 0.00 -1.00 0.00 0.00 57.85 57.17 1j5p n ARG 161 Cb 1.27 -0.91 0.00 0.00 -1.05 0.00 0.00 32.46 31.77 1j5p n ARG 161 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1j5p n ASN 162 N -0.94 0.00 -0.05 2.89 2.85 -0.65 -4.67 115.26 114.70 1j5p n ASN 162 Ca 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.46 1j5p n ASN 162 Cb 0.00 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.02 1j5p n ASN 162 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1j5p n ILE 163 N -0.16 0.00 -0.01 -1.44 -0.00 -1.26 -4.87 119.36 111.61 1j5p n ILE 163 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 62.75 62.59 1j5p n ILE 163 Cb 0.00 -0.53 -0.11 0.00 -0.00 0.00 0.00 39.64 38.99 1j5p n ILE 163 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.55 177.33 1j5p h ASN 164 N 0.00 0.38 -0.90 4.38 4.21 -1.92 -2.70 115.58 119.02 1j5p h ASN 164 Ca -0.01 -0.77 0.08 0.00 1.21 0.00 0.00 56.30 56.80 1j5p h ASN 164 Cb 0.50 -0.12 -0.07 0.00 -1.12 0.00 0.00 38.32 37.52 1j5p h ASN 164 CO 0.02 1.10 0.56 0.58 -1.29 0.00 0.00 177.43 178.40 1j5p h VAL 165 N -0.30 1.01 -0.22 2.81 2.07 -1.91 -0.85 116.25 118.87 1j5p h VAL 165 Ca -0.05 -0.34 -0.12 0.00 0.82 0.00 0.00 66.70 67.01 1j5p h VAL 165 Cb 1.17 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1j5p h VAL 165 CO 0.09 0.18 -0.37 0.00 0.02 0.00 0.00 177.57 177.49 1j5p h ALA 166 N 1.44 0.96 -0.24 1.67 0.00 -1.98 -2.47 119.26 118.64 1j5p h ALA 166 Ca 0.41 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1j5p h ALA 166 Cb 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1j5p h ALA 166 CO -0.20 0.62 -0.36 0.77 0.00 0.00 0.00 179.25 180.08 1j5p h SER 167 N 0.40 0.55 -0.35 0.00 0.02 -0.86 0.48 113.55 113.80 1j5p h SER 167 Ca 0.04 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.71 1j5p h SER 167 Cb 0.83 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1j5p h SER 167 CO 0.07 0.86 0.01 0.74 -1.14 0.00 0.00 176.83 177.38 1j5p h THR 168 N 0.45 1.25 -0.88 -2.27 2.02 -1.08 0.95 112.91 113.36 1j5p h THR 168 Ca 0.05 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1j5p h THR 168 Cb 0.83 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 68.38 1j5p h THR 168 CO 0.07 0.31 0.56 0.40 0.37 0.00 0.00 175.52 177.23 1j5p h ILE 169 N 0.42 1.23 -0.85 3.11 2.04 -1.24 -1.39 117.51 120.83 1j5p h ILE 169 Ca 0.10 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 1j5p h ILE 169 Cb 0.43 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 1j5p h ILE 169 CO 0.02 0.24 0.44 1.23 0.00 0.00 0.00 178.15 180.08 1j5p h GLY 170 N 1.21 1.29 1.12 5.37 0.00 -0.22 -1.02 103.07 110.83 1j5p h GLY 170 Ca 0.32 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1j5p h GLY 170 CO -0.06 0.58 0.38 1.41 0.00 0.00 0.00 176.54 178.85 1j5p h LEU 171 N 1.20 1.03 0.19 3.11 3.38 0.17 0.23 115.31 124.63 1j5p h LEU 171 Ca 0.30 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1j5p h LEU 171 Cb 0.07 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1j5p h LEU 171 CO -0.04 0.87 -0.09 0.40 0.09 0.00 0.00 178.44 179.66 1j5p h ILE 172 N 1.13 0.88 0.00 1.22 2.04 -0.57 -3.38 117.51 118.83 1j5p h ILE 172 Ca 0.27 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1j5p h ILE 172 Cb 0.11 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1j5p h ILE 172 CO -0.04 0.19 -1.32 1.33 0.00 0.00 0.00 178.15 178.31 1j5p n VAL 173 N -5.00 0.00 0.00 1.67 0.24 -0.45 -4.91 118.33 109.88 1j5p n VAL 173 Ca -0.09 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1j5p n VAL 173 Cb 0.26 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.30 1j5p n VAL 173 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j5p n GLY 174 N 1.42 2.77 0.33 7.63 0.00 0.81 -4.80 105.19 113.35 1j5p n GLY 174 Ca 0.01 -1.29 0.13 0.00 0.00 0.00 0.00 46.02 44.87 1j5p n GLY 174 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1j5p h PHE 175 N 0.00 0.17 0.00 1.61 -1.00 -1.86 -2.06 116.94 113.81 1j5p h PHE 175 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1j5p h PHE 175 Cb 0.00 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.50 1j5p h PHE 175 CO 0.00 0.09 0.00 1.05 -1.61 0.00 0.00 178.31 177.84 1j5p h GLU 176 N 0.17 0.00 -0.08 1.51 9.09 -1.91 -2.42 114.58 120.94 1j5p h GLU 176 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.59 1j5p h GLU 176 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.58 1j5p h GLU 176 CO -0.03 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.66 1j5p n LYS 177 N -2.33 2.09 -4.17 1.06 5.02 -0.77 -4.90 118.16 114.15 1j5p n LYS 177 Ca 0.00 -1.59 -0.34 0.00 -2.02 0.00 0.00 58.31 54.36 1j5p n LYS 177 Cb 0.14 -1.47 -0.12 0.00 -0.02 0.00 0.00 35.03 33.57 1j5p n LYS 177 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1j5p s VAL 178 N -1.92 4.15 -0.14 -0.18 1.01 -0.91 -0.71 120.40 121.69 1j5p s VAL 178 Ca 0.33 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1j5p s VAL 178 Cb 0.20 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1j5p s VAL 178 CO 0.31 0.46 -0.19 -0.75 0.00 0.00 0.00 175.10 174.93 1j5p s LYS 179 N 0.64 3.14 -0.13 2.72 2.20 -0.40 -4.39 119.74 123.51 1j5p s LYS 179 Ca -0.00 -0.80 -0.03 0.00 -0.36 0.00 0.00 55.97 54.77 1j5p s LYS 179 Cb -0.14 -2.51 -0.03 0.00 -1.51 0.00 0.00 37.83 33.64 1j5p s LYS 179 CO 0.02 0.05 -0.01 0.08 -0.36 0.00 0.00 175.35 175.13 1j5p s VAL 180 N 0.70 4.13 -0.06 4.02 1.01 0.04 -0.92 120.40 129.32 1j5p s VAL 180 Ca -0.09 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1j5p s VAL 180 Cb -0.16 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.44 1j5p s VAL 180 CO 0.01 0.53 -0.14 -0.89 0.00 0.00 0.00 175.10 174.61 1j5p s THR 181 N -0.06 1.22 -0.13 3.92 2.01 -0.15 -1.58 115.64 120.87 1j5p s THR 181 Ca 0.03 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.50 1j5p s THR 181 Cb -0.13 -1.09 0.01 0.00 0.01 0.00 0.00 72.50 71.30 1j5p s THR 181 CO 0.02 0.37 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.47 1j5p s ILE 182 N 0.42 2.07 -0.04 1.82 1.01 -0.12 -1.19 121.20 125.17 1j5p s ILE 182 Ca -0.11 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 59.62 1j5p s ILE 182 Cb -0.14 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 1j5p s ILE 182 CO 0.03 0.55 -0.22 -0.69 0.00 0.00 0.00 174.94 174.61 1j5p s VAL 183 N 0.74 1.83 -0.29 2.92 1.01 0.16 -0.81 120.40 125.96 1j5p s VAL 183 Ca -0.09 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 60.84 1j5p s VAL 183 Cb -0.16 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1j5p s VAL 183 CO -0.00 0.51 0.16 0.00 0.00 0.00 0.00 175.10 175.77 1j5p s ALA 184 N -0.21 3.39 -0.17 5.51 0.00 0.22 -0.47 121.76 130.02 1j5p s ALA 184 Ca -0.00 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1j5p s ALA 184 Cb -0.12 -2.40 0.03 0.00 0.00 0.00 0.00 23.12 20.64 1j5p s ALA 184 CO 0.02 -0.67 -0.12 0.34 0.00 0.00 0.00 175.76 175.33 1j5p s ASP 185 N 1.69 2.96 0.28 0.00 -1.08 0.01 -1.09 116.67 119.43 1j5p s ASP 185 Ca 0.06 -0.65 0.21 0.00 -0.52 0.00 0.00 52.55 51.65 1j5p s ASP 185 Cb -0.16 -1.17 1.04 0.00 -1.46 0.00 0.00 42.92 41.17 1j5p s ASP 185 CO 0.08 -0.10 1.65 -0.81 0.52 0.00 0.00 175.17 176.51 1j5p n PRO 186 N 4.75 0.15 0.00 4.34 -0.04 -1.26 -1.71 135.00 141.23 1j5p n PRO 186 Ca -0.16 0.55 0.13 0.00 -0.04 0.00 0.00 63.50 63.98 1j5p n PRO 186 Cb 0.48 -1.90 0.45 0.00 -0.04 0.00 0.00 33.50 32.50 1j5p n PRO 186 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j5p n ALA 187 N -1.76 2.92 -2.71 0.55 0.00 -1.26 -4.88 120.51 113.37 1j5p n ALA 187 Ca 0.00 -0.39 -0.36 0.00 0.00 0.00 0.00 53.44 52.69 1j5p n ALA 187 Cb 0.11 -1.18 -0.08 0.00 0.00 0.00 0.00 19.45 18.30 1j5p n ALA 187 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1j5p s MET 188 N -2.39 4.18 0.06 0.00 -1.94 -0.69 -4.98 119.30 113.54 1j5p s MET 188 Ca 0.28 -0.11 -0.03 0.00 -1.71 0.00 0.00 55.69 54.12 1j5p s MET 188 Cb 0.20 -3.46 -0.28 0.00 2.01 0.00 0.00 34.83 33.30 1j5p s MET 188 CO 0.47 0.21 1.08 0.22 -0.01 0.00 0.00 175.02 176.99 1j5p h ASP 189 N 6.90 0.39 -5.73 3.03 1.82 -1.90 -3.38 116.42 117.56 1j5p h ASP 189 Ca -0.40 -0.44 -0.34 0.00 -0.39 0.00 0.00 57.03 55.46 1j5p h ASP 189 Cb 1.16 -0.13 -0.14 0.00 0.68 0.00 0.00 39.33 40.90 1j5p h ASP 189 CO 0.73 1.35 -0.55 -1.38 -1.61 0.00 0.00 179.24 177.78 1j5p s HIS 190 N -2.65 1.42 0.37 0.28 -3.43 -1.26 -4.82 115.29 105.20 1j5p s HIS 190 Ca -0.05 -1.50 -0.26 0.00 -0.80 0.00 0.00 55.06 52.45 1j5p s HIS 190 Cb 0.07 -0.62 -0.09 0.00 -1.43 0.00 0.00 32.58 30.51 1j5p s HIS 190 CO 0.87 -0.75 1.08 -0.80 -2.00 0.00 0.00 174.74 173.14 1j5p s ASN 191 N -3.26 6.84 0.01 7.38 0.01 -1.26 -4.50 114.94 120.15 1j5p s ASN 191 Ca 0.40 2.15 0.03 0.00 -0.71 0.00 0.00 52.86 54.72 1j5p s ASN 191 Cb 0.05 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.10 1j5p s ASN 191 CO 0.19 -0.44 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.63 1j5p s ILE 192 N -1.49 0.63 -0.11 0.60 1.01 -0.22 -4.30 121.20 117.33 1j5p s ILE 192 Ca 0.54 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.72 1j5p s ILE 192 Cb -0.26 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 41.66 1j5p s ILE 192 CO 0.33 0.06 -0.21 -1.00 0.00 0.00 0.00 174.94 174.12 1j5p s HIS 193 N -0.44 2.36 -0.17 3.97 3.76 0.02 -0.97 115.29 123.82 1j5p s HIS 193 Ca 0.01 -1.04 0.01 0.00 -0.15 0.00 0.00 55.06 53.89 1j5p s HIS 193 Cb -0.04 -1.61 0.02 0.00 1.11 0.00 0.00 32.58 32.06 1j5p s HIS 193 CO 0.00 -0.46 -0.16 0.42 -0.85 0.00 0.00 174.74 173.69 1j5p s ILE 194 N 0.59 1.82 -0.24 0.60 1.01 0.05 0.16 121.20 125.18 1j5p s ILE 194 Ca -0.14 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 59.63 1j5p s ILE 194 Cb -0.17 -1.70 -0.00 0.00 0.01 0.00 0.00 42.46 40.61 1j5p s ILE 194 CO 0.04 0.45 -0.01 -0.69 0.00 0.00 0.00 174.94 174.74 1j5p s VAL 195 N 1.38 3.52 -0.19 2.92 1.01 0.01 -0.90 120.40 128.16 1j5p s VAL 195 Ca 0.04 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 1j5p s VAL 195 Cb -0.13 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 1j5p s VAL 195 CO -0.11 0.30 -0.08 -0.13 0.00 0.00 0.00 175.10 175.08 1j5p s ARG 196 N 1.47 3.38 -0.12 2.72 0.52 -0.34 -0.77 118.95 125.81 1j5p s ARG 196 Ca 0.04 -0.65 0.01 0.00 -0.52 0.00 0.00 55.73 54.61 1j5p s ARG 196 Cb -0.15 -2.86 -0.01 0.00 0.52 0.00 0.00 34.95 32.44 1j5p s ARG 196 CO -0.02 -0.05 -0.15 0.42 0.02 0.00 0.00 175.30 175.53 1j5p s ILE 197 N 1.06 2.87 -0.16 1.52 1.01 0.11 -1.32 121.20 126.28 1j5p s ILE 197 Ca 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 1j5p s ILE 197 Cb -0.15 -2.19 -0.00 0.00 0.01 0.00 0.00 42.46 40.13 1j5p s ILE 197 CO -0.01 0.53 -0.13 -0.44 0.00 0.00 0.00 174.94 174.89 1j5p s SER 198 N 0.35 3.79 0.21 3.58 0.01 -0.71 -1.08 113.70 119.86 1j5p s SER 198 Ca -0.12 -0.45 -0.05 0.00 1.31 0.00 0.00 55.95 56.64 1j5p s SER 198 Cb -0.16 -1.60 -0.03 0.00 0.21 0.00 0.00 66.02 64.44 1j5p s SER 198 CO 0.06 0.07 0.25 -0.94 0.41 0.00 0.00 173.24 173.10 1j5p s SER 199 N 0.90 0.07 0.02 2.44 1.04 -0.70 0.03 113.70 117.50 1j5p s SER 199 Ca -0.03 -1.20 0.20 0.00 0.48 0.00 0.00 55.95 55.40 1j5p s SER 199 Cb -0.15 0.45 0.85 0.00 0.10 0.00 0.00 66.02 67.27 1j5p s SER 199 CO -0.01 -0.94 1.64 0.00 0.98 0.00 0.00 173.24 174.91 1j5p n ALA 200 N -0.30 1.90 0.02 5.32 0.00 -0.51 -2.65 120.51 124.29 1j5p n ALA 200 Ca -0.00 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.46 1j5p n ALA 200 Cb 0.64 -1.33 -0.11 0.00 0.00 0.00 0.00 19.45 18.65 1j5p n ALA 200 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1j5p n ILE 201 N -1.57 0.46 0.00 0.00 2.08 -1.26 -5.08 119.36 114.00 1j5p n ILE 201 Ca 0.05 -0.58 0.00 0.00 0.56 0.00 0.00 62.75 62.78 1j5p n ILE 201 Cb 0.24 -0.23 0.00 0.00 -0.75 0.00 0.00 39.64 38.90 1j5p n ILE 201 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1j5p n GLY 202 N 1.31 -0.68 3.41 7.39 0.00 -1.08 -5.14 105.19 110.40 1j5p n GLY 202 Ca -0.07 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 1j5p n GLY 202 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j5p s ASN 203 N 0.00 3.57 0.02 1.61 0.02 -1.26 -1.71 114.94 117.19 1j5p s ASN 203 Ca 0.00 -0.40 0.02 0.00 -1.02 0.00 0.00 52.86 51.45 1j5p s ASN 203 Cb 0.00 -0.55 -0.02 0.00 0.02 0.00 0.00 41.25 40.70 1j5p s ASN 203 CO 0.00 0.29 -0.06 -0.31 0.02 0.00 0.00 177.10 177.05 1j5p s TYR 204 N -0.78 0.51 -0.04 2.20 2.02 -0.24 -4.99 117.35 116.03 1j5p s TYR 204 Ca 0.12 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 1j5p s TYR 204 Cb -0.10 -0.32 0.02 0.00 -0.40 0.00 0.00 41.96 41.16 1j5p s TYR 204 CO 0.02 -0.07 -0.02 -2.00 -1.57 0.00 0.00 175.55 171.91 1j5p s GLU 205 N -1.01 0.58 -0.18 -0.62 2.12 -1.26 0.06 118.70 118.39 1j5p s GLU 205 Ca -0.06 -0.00 0.01 0.00 0.36 0.00 0.00 54.97 55.27 1j5p s GLU 205 Cb -0.07 -0.71 0.03 0.00 0.26 0.00 0.00 34.13 33.64 1j5p s GLU 205 CO 0.00 -0.13 -0.15 -0.06 -0.54 0.00 0.00 175.26 174.38 1j5p s PHE 206 N 1.10 2.46 -0.21 5.30 0.08 0.05 -4.97 117.98 121.79 1j5p s PHE 206 Ca -0.08 -1.49 -0.05 0.00 0.12 0.00 0.00 56.93 55.42 1j5p s PHE 206 Cb -0.14 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.58 1j5p s PHE 206 CO -0.01 -0.74 -0.01 0.21 -0.10 0.00 0.00 175.22 174.57 1j5p s LYS 207 N 1.39 3.54 -0.20 0.44 2.20 -1.26 -0.81 119.74 125.04 1j5p s LYS 207 Ca 0.03 -0.55 -0.02 0.00 -0.36 0.00 0.00 55.97 55.07 1j5p s LYS 207 Cb -0.14 -3.08 0.01 0.00 -1.51 0.00 0.00 37.83 33.10 1j5p s LYS 207 CO -0.10 -0.08 -0.12 0.42 -0.36 0.00 0.00 175.35 175.10 1j5p s ILE 208 N 1.24 2.75 -0.54 5.43 -1.09 0.12 -4.98 121.20 124.13 1j5p s ILE 208 Ca 0.03 -0.71 0.04 0.00 -2.23 0.00 0.00 60.65 57.78 1j5p s ILE 208 Cb -0.15 -2.21 0.15 0.00 -1.58 0.00 0.00 42.46 38.68 1j5p s ILE 208 CO 0.01 0.48 0.35 -1.61 -1.23 0.00 0.00 174.94 172.94 1j5p s GLU 209 N 1.38 1.75 0.55 2.79 2.02 -1.26 -0.80 118.70 125.13 1j5p s GLU 209 Ca 0.05 -2.60 -0.18 0.00 0.02 0.00 0.00 54.97 52.26 1j5p s GLU 209 Cb -0.14 -2.72 -0.05 0.00 0.10 0.00 0.00 34.13 31.32 1j5p s GLU 209 CO -0.08 -1.24 1.08 -0.80 0.02 0.00 0.00 175.26 174.25 1j5p s ASN 210 N -0.44 5.83 0.23 -0.19 0.01 -1.26 -5.08 114.94 114.04 1j5p s ASN 210 Ca 0.23 2.00 0.23 0.00 -0.71 0.00 0.00 52.86 54.61 1j5p s ASN 210 Cb -0.13 -2.56 0.14 0.00 0.41 0.00 0.00 41.25 39.11 1j5p s ASN 210 CO -0.09 -1.14 1.22 0.40 -1.51 0.00 0.00 177.10 175.98 1j5p h ILE 211 N 0.97 0.00 -3.48 0.60 2.04 -1.99 -3.45 117.51 112.21 1j5p h ILE 211 Ca -0.49 -0.90 -0.77 0.00 1.00 0.00 0.00 64.86 63.71 1j5p h ILE 211 Cb 1.24 1.52 -0.26 0.00 -0.74 0.00 0.00 36.82 38.57 1j5p h ILE 211 CO 0.57 0.00 -0.10 -0.55 0.00 0.00 0.00 178.15 178.07 1j5p s SER 220 N -5.31 6.34 0.28 1.72 0.15 -1.26 -5.03 113.70 110.58 1j5p s SER 220 Ca 0.02 -2.29 -0.02 0.00 0.70 0.00 0.00 55.95 54.37 1j5p s SER 220 Cb 0.09 -2.16 0.40 0.00 -1.71 0.00 0.00 66.02 62.63 1j5p s SER 220 CO 0.75 -0.68 1.86 0.24 1.20 0.00 0.00 173.24 176.61 1j5p h MET 221 N 8.21 0.91 -0.87 5.44 2.07 -2.00 -2.69 114.93 126.00 1j5p h MET 221 Ca -0.09 -0.15 -0.01 0.00 -2.07 0.00 0.00 59.70 57.38 1j5p h MET 221 Cb 1.06 -0.16 -0.04 0.00 -1.87 0.00 0.00 31.60 30.59 1j5p h MET 221 CO 0.87 0.76 0.51 1.25 1.07 0.00 0.00 176.91 181.36 1j5p h LEU 222 N 0.90 1.06 -0.72 1.22 5.85 -1.97 -2.38 115.31 119.27 1j5p h LEU 222 Ca 0.21 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 1j5p h LEU 222 Cb 0.19 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1j5p h LEU 222 CO -0.02 0.83 0.20 0.74 -0.34 0.00 0.00 178.44 179.85 1j5p h THR 223 N 1.20 1.26 -0.36 1.05 2.02 -1.56 0.14 112.91 116.66 1j5p h THR 223 Ca 0.31 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.55 1j5p h THR 223 Cb -0.02 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1j5p h THR 223 CO -0.05 0.37 0.24 0.58 0.37 0.00 0.00 175.52 177.02 1j5p h VAL 224 N 1.08 1.09 0.00 3.16 2.07 -1.32 -1.06 116.25 121.27 1j5p h VAL 224 Ca 0.23 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 1j5p h VAL 224 Cb 0.35 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1j5p h VAL 224 CO -0.00 0.09 -0.35 1.88 0.02 0.00 0.00 177.57 179.21 1j5p h TYR 225 N 0.49 0.00 -0.33 1.57 0.05 -1.06 -1.18 116.97 116.51 1j5p h TYR 225 Ca 0.13 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.88 1j5p h TYR 225 Cb -0.06 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 1j5p h TYR 225 CO -0.05 0.35 0.07 1.03 -1.05 0.00 0.00 178.16 178.51 1j5p h SER 226 N 0.00 0.50 -0.24 3.88 0.87 -0.02 -1.29 113.55 117.26 1j5p h SER 226 Ca -0.00 -0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.30 1j5p h SER 226 Cb 0.79 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1j5p h SER 226 CO 0.05 0.61 0.07 0.40 -0.53 0.00 0.00 176.83 177.42 1j5p h ILE 227 N 0.37 1.20 -0.82 2.23 2.04 -0.78 -2.22 117.51 119.53 1j5p h ILE 227 Ca 0.10 -0.64 0.07 0.00 1.00 0.00 0.00 64.86 65.40 1j5p h ILE 227 Cb 0.31 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 1j5p h ILE 227 CO 0.00 0.21 0.53 -0.07 0.00 0.00 0.00 178.15 178.82 1j5p h LEU 228 N 0.21 0.76 -0.40 1.44 3.38 -1.11 -0.45 115.31 119.15 1j5p h LEU 228 Ca 0.08 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1j5p h LEU 228 Cb 0.25 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1j5p h LEU 228 CO -0.00 0.48 -0.17 -0.09 0.09 0.00 0.00 178.44 178.75 1j5p h ARG 229 N 0.86 0.82 -0.65 1.13 2.43 -0.97 0.28 114.38 118.28 1j5p h ARG 229 Ca 0.36 -0.35 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1j5p h ARG 229 Cb 0.28 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 1j5p h ARG 229 CO -0.13 0.98 0.40 1.15 -1.51 0.00 0.00 179.97 180.86 1j5p h THR 230 N 0.63 1.08 -0.18 0.20 2.02 -0.70 0.28 112.91 116.24 1j5p h THR 230 Ca 0.09 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1j5p h THR 230 Cb 0.73 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1j5p h THR 230 CO 0.05 0.14 0.07 -0.07 0.37 0.00 0.00 175.52 176.09 1j5p h LEU 231 N 0.79 0.26 -1.29 2.58 3.38 -0.82 -2.70 115.31 117.50 1j5p h LEU 231 Ca 0.26 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1j5p h LEU 231 Cb 0.02 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1j5p h LEU 231 CO -0.10 0.37 0.41 0.03 0.09 0.00 0.00 178.44 179.24 1j5p h ARG 232 N 0.14 0.89 0.00 1.13 3.08 0.02 -2.15 114.38 117.49 1j5p h ARG 232 Ca 0.06 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1j5p h ARG 232 Cb 0.19 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1j5p h ARG 232 CO -0.00 0.62 0.00 -0.91 -1.07 0.00 0.00 179.97 178.60 1j5p h ASN 233 N 0.91 0.00 -0.60 7.04 2.35 -0.16 -1.74 115.58 123.39 1j5p h ASN 233 Ca 0.24 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 56.02 1j5p h ASN 233 Cb -0.06 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 1j5p h ASN 233 CO -0.05 0.00 0.39 -0.07 -1.65 0.00 0.00 177.43 176.06 1j5p h LEU 234 N 0.00 0.62 -0.02 1.61 3.38 -1.09 -3.26 115.31 116.54 1j5p h LEU 234 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1j5p h LEU 234 Cb 0.44 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1j5p h LEU 234 CO 0.00 0.43 -0.05 -0.62 0.09 0.00 0.00 178.44 178.29 1j5p n GLU 235 N -4.46 6.51 -1.89 1.13 -0.58 -1.13 -5.08 120.64 115.13 1j5p n GLU 235 Ca 0.07 -0.01 -0.36 0.00 -0.42 0.00 0.00 57.16 56.44 1j5p n GLU 235 Cb 0.12 -0.56 0.05 0.00 -0.57 0.00 0.00 31.44 30.48 1j5p n GLU 235 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1j5p s SER 236 N -1.07 4.96 0.00 1.62 0.15 -0.67 -4.95 113.70 113.74 1j5p s SER 236 Ca 0.00 2.44 0.24 0.00 0.70 0.00 0.00 55.95 59.34 1j5p s SER 236 Cb 0.01 -2.60 0.34 0.00 -1.71 0.00 0.00 66.02 62.06 1j5p s SER 236 CO 0.04 -1.75 1.31 0.29 1.20 0.00 0.00 173.24 174.33 1j5p n LYS 237 N -1.77 1.12 -3.86 5.44 5.02 -1.26 -4.76 118.16 118.08 1j5p n LYS 237 Ca 0.14 -0.83 -0.29 0.00 -2.02 0.00 0.00 58.31 55.31 1j5p n LYS 237 Cb 0.49 -1.48 -0.16 0.00 -0.02 0.00 0.00 35.03 33.86 1j5p n LYS 237 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1j5p s ILE 238 N -2.45 1.16 -0.15 -0.18 1.01 -1.26 -5.12 121.20 114.21 1j5p s ILE 238 Ca 0.22 -1.01 -0.00 0.00 0.00 0.00 0.00 60.65 59.86 1j5p s ILE 238 Cb 0.19 -1.53 -0.00 0.00 0.01 0.00 0.00 42.46 41.12 1j5p s ILE 238 CO 0.53 -0.16 -0.14 -0.63 0.00 0.00 0.00 174.94 174.54 1j5p s ILE 239 N 1.56 2.79 0.14 2.92 -1.09 -1.26 -5.00 121.20 121.26 1j5p s ILE 239 Ca -0.03 -0.73 0.05 0.00 -2.23 0.00 0.00 60.65 57.71 1j5p s ILE 239 Cb -0.18 -2.19 -0.04 0.00 -1.58 0.00 0.00 42.46 38.47 1j5p s ILE 239 CO -0.07 0.51 0.06 -0.36 -1.23 0.00 0.00 174.94 173.84 1j5p s PHE 240 N 0.77 3.03 0.00 3.97 0.08 -1.26 -5.24 117.98 119.33 1j5p s PHE 240 Ca -0.05 -0.04 0.00 0.00 0.12 0.00 0.00 56.93 56.96 1j5p s PHE 240 Cb -0.15 -1.50 0.00 0.00 -0.57 0.00 0.00 43.02 40.80 1j5p s PHE 240 CO 0.01 0.51 0.00 0.41 -0.10 0.00 0.00 175.22 176.05