#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jdj n ASP 10 N 0.00 1.55 -4.69 3.14 9.92 -1.26 -4.84 116.55 120.37 1jdj n ASP 10 Ca 0.00 -2.10 -0.41 0.00 -0.53 0.00 0.00 54.79 51.76 1jdj n ASP 10 Cb 0.00 -0.29 -0.04 0.00 -0.64 0.00 0.00 41.12 40.14 1jdj n ASP 10 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1jdj s GLU 11 N -1.64 4.37 0.81 -1.24 2.12 -1.26 -5.04 118.70 116.83 1jdj s GLU 11 Ca 0.14 0.96 -0.10 0.00 0.36 0.00 0.00 54.97 56.32 1jdj s GLU 11 Cb 0.09 -3.51 0.08 0.00 0.26 0.00 0.00 34.13 31.05 1jdj s GLU 11 CO 0.07 -0.13 1.11 -0.51 -0.54 0.00 0.00 175.26 175.27 1jdj s LEU 12 N 1.45 2.98 -0.08 2.70 1.43 -1.26 -4.91 118.68 120.99 1jdj s LEU 12 Ca 0.38 1.94 0.04 0.00 -1.03 0.00 0.00 54.13 55.47 1jdj s LEU 12 Cb -0.17 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.50 1jdj s LEU 12 CO 0.16 -2.36 -0.23 -0.76 0.23 0.00 0.00 176.35 173.39 1jdj s LEU 13 N -6.11 2.17 0.04 1.79 1.43 -0.37 -5.02 118.68 112.61 1jdj s LEU 13 Ca 0.63 -0.50 0.05 0.00 -1.03 0.00 0.00 54.13 53.27 1jdj s LEU 13 Cb -0.19 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 1jdj s LEU 13 CO 0.56 0.21 -0.08 -0.31 0.23 0.00 0.00 176.35 176.96 1jdj s TYR 14 N 0.08 2.83 0.35 0.29 1.51 -1.26 -4.44 117.35 116.71 1jdj s TYR 14 Ca -0.10 -0.09 0.08 0.00 -1.01 0.00 0.00 57.07 55.94 1jdj s TYR 14 Cb -0.16 -1.55 -0.07 0.00 -0.11 0.00 0.00 41.96 40.07 1jdj s TYR 14 CO 0.06 0.38 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.33 1jdj s LEU 15 N -1.65 2.69 -0.05 -1.29 1.43 0.07 -5.02 118.68 114.86 1jdj s LEU 15 Ca 0.18 -1.28 -0.12 0.00 -1.03 0.00 0.00 54.13 51.89 1jdj s LEU 15 Cb -0.11 -0.84 -0.30 0.00 0.03 0.00 0.00 46.19 44.96 1jdj s LEU 15 CO 0.09 -0.36 0.66 0.78 0.23 0.00 0.00 176.35 177.76 1jdj h ASN 16 N 1.98 0.60 -4.72 2.29 2.35 -1.92 -1.97 115.58 114.19 1jdj h ASN 16 Ca -0.42 -0.93 -0.14 0.00 -0.55 0.00 0.00 56.30 54.25 1jdj h ASN 16 Cb 1.24 -0.19 -0.22 0.00 0.05 0.00 0.00 38.32 39.20 1jdj h ASN 16 CO 0.74 1.77 -0.44 -0.75 -1.65 0.00 0.00 177.43 177.10 1jdj s LYS 17 N -2.56 0.47 0.02 0.81 2.20 -1.26 -0.64 119.74 118.78 1jdj s LYS 17 Ca -0.16 -0.20 0.01 0.00 -0.36 0.00 0.00 55.97 55.26 1jdj s LYS 17 Cb 0.05 0.21 -0.01 0.00 -1.51 0.00 0.00 37.83 36.56 1jdj s LYS 17 CO 0.84 -0.11 -0.04 0.00 -0.36 0.00 0.00 175.35 175.68 1jdj s ALA 18 N -1.04 0.29 -0.03 3.13 0.00 -0.10 -0.60 121.76 123.41 1jdj s ALA 18 Ca -0.11 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.43 1jdj s ALA 18 Cb -0.06 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 1jdj s ALA 18 CO 0.02 -0.04 -0.16 0.54 0.00 0.00 0.00 175.76 176.12 1jdj s VAL 19 N -0.91 1.28 -0.21 0.00 0.11 -0.91 -0.95 120.40 118.79 1jdj s VAL 19 Ca -0.08 -0.66 0.01 0.00 -2.93 0.00 0.00 61.98 58.32 1jdj s VAL 19 Cb -0.07 -1.08 0.04 0.00 -1.53 0.00 0.00 36.38 33.74 1jdj s VAL 19 CO -0.00 0.37 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.33 1jdj s VAL 20 N -0.14 1.82 -0.49 2.04 1.01 0.45 -1.25 120.40 123.84 1jdj s VAL 20 Ca 0.01 -1.15 -0.20 0.00 0.00 0.00 0.00 61.98 60.64 1jdj s VAL 20 Cb -0.09 -1.87 0.05 0.00 0.00 0.00 0.00 36.38 34.47 1jdj s VAL 20 CO 0.01 0.17 0.66 -0.36 0.00 0.00 0.00 175.10 175.57 1jdj s PHE 21 N 1.31 3.03 0.00 5.22 0.40 0.19 -1.39 117.98 126.74 1jdj s PHE 21 Ca -0.02 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 1jdj s PHE 21 Cb -0.17 -3.52 0.00 0.00 0.51 0.00 0.00 43.02 39.84 1jdj s PHE 21 CO -0.08 -1.02 0.00 0.41 0.70 0.00 0.00 175.22 175.23 1jdj n GLY 22 N 5.13 3.39 1.49 4.36 0.00 -1.19 0.23 105.19 118.59 1jdj n GLY 22 Ca -0.04 -0.62 0.01 0.00 0.00 0.00 0.00 46.02 45.36 1jdj n GLY 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jdj n SER 23 N 0.00 4.26 -2.96 1.61 3.41 -1.25 -4.47 113.62 114.23 1jdj n SER 23 Ca 0.00 -3.21 -0.14 0.00 -0.26 0.00 0.00 58.87 55.26 1jdj n SER 23 Cb 0.00 -0.66 0.11 0.00 -0.26 0.00 0.00 64.21 63.40 1jdj n SER 23 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jdj n GLY 24 N -0.34 -2.21 0.15 5.00 0.00 -1.26 -4.62 105.19 101.90 1jdj n GLY 24 Ca 0.32 -1.54 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 1jdj n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdj h ALA 25 N -2.21 -0.16 -0.53 4.61 0.00 -1.95 0.46 119.26 119.48 1jdj h ALA 25 Ca -0.19 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1jdj h ALA 25 Cb 0.57 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1jdj h ALA 25 CO 0.13 -0.61 0.14 0.35 0.00 0.00 0.00 179.25 179.26 1jdj h PHE 26 N -0.20 0.87 -0.55 0.00 -0.00 -1.93 0.34 116.94 115.48 1jdj h PHE 26 Ca 0.02 -0.10 -0.02 0.00 -0.00 0.00 0.00 57.97 57.87 1jdj h PHE 26 Cb 0.22 -0.25 -0.03 0.00 -0.00 0.00 0.00 35.95 35.90 1jdj h PHE 26 CO -0.14 0.76 0.26 0.78 -0.00 0.00 0.00 178.31 179.97 1jdj h GLY 27 N 0.73 0.86 1.03 2.40 0.00 -1.77 -0.24 103.07 106.08 1jdj h GLY 27 Ca 0.17 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 1jdj h GLY 27 CO -0.00 0.41 -0.04 -0.84 0.00 0.00 0.00 176.54 176.07 1jdj h THR 28 N 0.75 1.27 -0.60 4.70 2.02 -0.72 -1.35 112.91 118.97 1jdj h THR 28 Ca 0.19 -1.15 0.04 0.00 0.77 0.00 0.00 66.41 66.26 1jdj h THR 28 Cb 0.13 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 1jdj h THR 28 CO -0.02 0.40 0.34 0.00 0.37 0.00 0.00 175.52 176.61 1jdj h ALA 29 N 0.92 0.78 0.00 6.16 0.00 -0.61 -0.90 119.26 125.61 1jdj h ALA 29 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1jdj h ALA 29 Cb 0.58 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1jdj h ALA 29 CO 0.03 0.04 -0.30 -0.07 0.00 0.00 0.00 179.25 178.96 1jdj h LEU 30 N 0.66 0.00 -0.74 0.00 3.38 -0.80 -1.94 115.31 115.87 1jdj h LEU 30 Ca 0.25 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.12 1jdj h LEU 30 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1jdj h LEU 30 CO -0.14 0.30 -0.18 0.00 0.09 0.00 0.00 178.44 178.51 1jdj h ALA 31 N 1.70 0.92 -0.64 1.53 0.00 -0.04 -0.90 119.26 121.83 1jdj h ALA 31 Ca -0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1jdj h ALA 31 Cb 0.62 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1jdj h ALA 31 CO 0.04 0.62 0.15 0.52 0.00 0.00 0.00 179.25 180.58 1jdj h MET 32 N 0.68 1.03 -0.33 0.00 2.86 -0.56 -0.25 114.93 118.36 1jdj h MET 32 Ca 0.10 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1jdj h MET 32 Cb 0.68 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1jdj h MET 32 CO 0.05 0.93 0.20 0.28 1.06 0.00 0.00 176.91 179.43 1jdj h VAL 33 N 0.95 1.11 0.00 -2.22 2.07 -0.95 -2.74 116.25 114.47 1jdj h VAL 33 Ca 0.20 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 1jdj h VAL 33 Cb 0.37 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1jdj h VAL 33 CO 0.00 0.11 -0.30 -0.07 0.02 0.00 0.00 177.57 177.33 1jdj h LEU 34 N 0.43 0.00 -1.34 2.57 3.38 -0.86 -2.69 115.31 116.80 1jdj h LEU 34 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1jdj h LEU 34 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1jdj h LEU 34 CO -0.02 0.30 0.00 -1.54 0.09 0.00 0.00 178.44 177.27 1jdj n SER 35 N -3.90 0.59 -0.60 -0.43 3.41 -0.13 0.18 113.62 112.75 1jdj n SER 35 Ca -0.02 0.75 0.12 0.00 -0.26 0.00 0.00 58.87 59.47 1jdj n SER 35 Cb 0.38 -0.84 0.17 0.00 -0.26 0.00 0.00 64.21 63.65 1jdj n SER 35 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jdj n LYS 36 N -2.27 1.56 0.00 4.33 5.02 -1.01 -4.29 118.16 121.50 1jdj n LYS 36 Ca -0.01 -1.20 0.00 0.00 -2.02 0.00 0.00 58.31 55.08 1jdj n LYS 36 Cb 0.07 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1jdj n LYS 36 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1jdj n LYS 37 N 0.33 2.27 -4.22 1.97 4.76 0.16 -4.76 118.16 118.67 1jdj n LYS 37 Ca 0.13 -0.05 -0.22 0.00 -2.87 0.00 0.00 58.31 55.29 1jdj n LYS 37 Cb 0.47 -0.34 -0.17 0.00 -1.84 0.00 0.00 35.03 33.16 1jdj n LYS 37 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jdj h ARG 39 N 7.34 0.72 -5.12 0.00 2.43 -1.30 -3.42 114.38 115.03 1jdj h ARG 39 Ca -0.33 -0.04 -0.47 0.00 -0.81 0.00 0.00 59.98 58.33 1jdj h ARG 39 Cb 1.16 -0.16 -0.29 0.00 -0.42 0.00 0.00 29.97 30.25 1jdj h ARG 39 CO 0.45 0.48 -0.81 -2.00 -1.51 0.00 0.00 179.97 176.58 1jdj s GLU 40 N -5.95 1.09 -0.07 0.20 2.12 0.18 -4.83 118.70 111.44 1jdj s GLU 40 Ca -0.12 -0.46 -0.01 0.00 0.36 0.00 0.00 54.97 54.74 1jdj s GLU 40 Cb 0.22 -1.04 0.03 0.00 0.26 0.00 0.00 34.13 33.60 1jdj s GLU 40 CO 0.79 0.26 0.00 0.08 -0.54 0.00 0.00 175.26 175.85 1jdj s VAL 41 N -0.23 0.38 -0.11 3.70 1.01 -0.75 -0.92 120.40 123.48 1jdj s VAL 41 Ca 0.04 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 1jdj s VAL 41 Cb -0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1jdj s VAL 41 CO -0.00 0.26 0.05 0.00 0.00 0.00 0.00 175.10 175.41 1jdj s VAL 43 N -0.74 1.99 0.05 0.00 1.01 -0.22 -0.41 120.40 122.09 1jdj s VAL 43 Ca 0.12 -1.55 -0.30 0.00 0.00 0.00 0.00 61.98 60.25 1jdj s VAL 43 Cb -0.12 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 1jdj s VAL 43 CO 0.03 -0.07 1.08 0.86 0.00 0.00 0.00 175.10 176.99 1jdj s TRP 44 N 1.18 3.58 -0.03 5.22 -0.00 -0.48 -1.24 118.94 127.16 1jdj s TRP 44 Ca -0.07 1.54 -0.01 0.00 -0.00 0.00 0.00 56.10 57.56 1jdj s TRP 44 Cb -0.20 -3.25 0.03 0.00 -0.00 0.00 0.00 33.47 30.06 1jdj s TRP 44 CO -0.06 -0.56 0.06 -1.58 -0.00 0.00 0.00 176.95 174.81 1jdj s HIS 45 N 0.79 0.00 0.11 5.86 5.65 0.35 -3.19 115.29 124.86 1jdj s HIS 45 Ca 0.54 0.22 -0.22 0.00 0.25 0.00 0.00 55.06 55.85 1jdj s HIS 45 Cb -0.25 -0.27 -0.10 0.00 -1.18 0.00 0.00 32.58 30.77 1jdj s HIS 45 CO 0.29 -0.13 1.72 0.00 -0.65 0.00 0.00 174.74 175.98 1jdj h MET 46 N 7.58 -0.04 -6.28 2.88 -0.00 -1.88 -3.24 114.93 113.95 1jdj h MET 46 Ca -0.37 0.00 -0.56 0.00 -0.00 0.00 0.00 59.70 58.77 1jdj h MET 46 Cb 1.12 0.01 -0.03 0.00 -0.00 0.00 0.00 31.60 32.70 1jdj h MET 46 CO 0.39 -0.02 1.24 1.21 -0.00 0.00 0.00 176.91 179.73 1jdj s ASN 47 N -5.16 5.89 0.24 -0.10 3.84 -1.26 -4.79 114.94 113.60 1jdj s ASN 47 Ca -0.13 1.05 -0.07 0.00 0.21 0.00 0.00 52.86 53.92 1jdj s ASN 47 Cb 0.08 -2.53 0.23 0.00 -0.55 0.00 0.00 41.25 38.47 1jdj s ASN 47 CO 0.67 -1.75 1.88 -0.08 -2.79 0.00 0.00 177.10 175.02 1jdj h GLU 48 N 12.73 1.29 -0.52 0.43 4.57 -1.95 -1.19 114.58 129.94 1jdj h GLU 48 Ca -0.31 -0.13 0.01 0.00 -1.18 0.00 0.00 59.36 57.76 1jdj h GLU 48 Cb 1.15 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 29.45 1jdj h GLU 48 CO 1.07 0.91 0.33 1.49 -1.18 0.00 0.00 179.01 181.64 1jdj h GLU 49 N 1.30 0.65 -0.02 1.92 4.81 -1.97 -1.81 114.58 119.46 1jdj h GLU 49 Ca 0.34 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.42 1jdj h GLU 49 Cb -0.03 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1jdj h GLU 49 CO -0.06 0.43 -0.50 0.93 -0.73 0.00 0.00 179.01 179.08 1jdj h GLU 50 N 0.67 0.05 -0.11 1.92 5.08 -1.89 -2.79 114.58 117.51 1jdj h GLU 50 Ca 0.20 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1jdj h GLU 50 Cb -0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1jdj h GLU 50 CO -0.06 0.54 0.06 0.28 -1.00 0.00 0.00 179.01 178.82 1jdj h VAL 51 N 0.04 1.10 -0.69 3.13 2.07 -0.53 -1.34 116.25 120.04 1jdj h VAL 51 Ca -0.00 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.27 1jdj h VAL 51 Cb 0.90 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 1jdj h VAL 51 CO 0.07 0.09 0.42 0.03 0.02 0.00 0.00 177.57 178.19 1jdj h ARG 52 N 0.07 0.77 0.21 1.57 3.08 -1.26 -1.16 114.38 117.65 1jdj h ARG 52 Ca 0.04 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1jdj h ARG 52 Cb 0.10 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1jdj h ARG 52 CO -0.01 0.51 -0.23 1.25 -1.07 0.00 0.00 179.97 180.42 1jdj h LEU 53 N 0.79 -0.61 -0.73 3.04 5.85 -1.21 -0.17 115.31 122.26 1jdj h LEU 53 Ca 0.29 0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.14 1jdj h LEU 53 Cb 0.10 0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 1jdj h LEU 53 CO -0.14 -0.33 0.41 0.58 -0.34 0.00 0.00 178.44 178.62 1jdj h VAL 54 N -0.47 0.96 0.00 1.05 2.07 -0.84 -0.74 116.25 118.28 1jdj h VAL 54 Ca 0.00 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 1jdj h VAL 54 Cb 0.45 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1jdj h VAL 54 CO -0.07 0.14 -0.36 0.78 0.02 0.00 0.00 177.57 178.08 1jdj h ASN 55 N 0.74 0.00 0.26 0.57 2.35 -0.94 0.40 115.58 118.96 1jdj h ASN 55 Ca 0.33 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.07 1jdj h ASN 55 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1jdj h ASN 55 CO -0.20 0.36 -0.12 -0.33 -1.65 0.00 0.00 177.43 175.49 1jdj h GLU 56 N 0.00 -0.33 0.00 0.81 5.08 0.11 -3.22 114.58 117.03 1jdj h GLU 56 Ca -0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1jdj h GLU 56 Cb 0.71 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1jdj h GLU 56 CO 0.05 -0.05 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 1jdj n LYS 57 N -5.01 0.88 -4.42 2.33 5.02 -0.39 -4.88 118.16 111.70 1jdj n LYS 57 Ca -0.07 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.85 1jdj n LYS 57 Cb 0.22 -1.27 -0.08 0.00 -0.02 0.00 0.00 35.03 33.88 1jdj n LYS 57 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1jdj n ARG 58 N -0.77 -1.10 -3.64 1.97 5.12 0.09 -4.90 116.66 113.43 1jdj n ARG 58 Ca 0.11 0.15 -0.08 0.00 -1.93 0.00 0.00 57.85 56.11 1jdj n ARG 58 Cb 0.05 -4.34 -0.07 0.00 -1.16 0.00 0.00 32.46 26.94 1jdj n ARG 58 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1jdj s GLU 59 N -7.24 0.71 -1.25 5.56 2.12 -0.93 -1.83 118.70 115.84 1jdj s GLU 59 Ca 0.50 1.16 -0.20 0.00 0.36 0.00 0.00 54.97 56.79 1jdj s GLU 59 Cb -0.29 0.18 0.02 0.00 0.26 0.00 0.00 34.13 34.30 1jdj s GLU 59 CO 1.01 -0.14 1.79 1.21 -0.54 0.00 0.00 175.26 178.59 1jdj s ASN 60 N 1.42 6.26 0.00 -1.70 3.84 -1.26 -4.54 114.94 118.96 1jdj s ASN 60 Ca -0.08 -2.16 0.13 0.00 0.21 0.00 0.00 52.86 50.97 1jdj s ASN 60 Cb -0.05 -2.58 0.64 0.00 -0.55 0.00 0.00 41.25 38.71 1jdj s ASN 60 CO -0.16 -1.78 1.38 1.33 -2.79 0.00 0.00 177.10 175.08 1jdj n VAL 61 N 6.86 0.81 -0.02 -5.21 0.24 -1.26 -0.95 118.33 118.80 1jdj n VAL 61 Ca 0.47 0.20 -0.20 0.00 -2.04 0.00 0.00 64.34 62.77 1jdj n VAL 61 Cb 0.46 -0.98 -0.13 0.00 -1.47 0.00 0.00 33.84 31.72 1jdj n VAL 61 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1jdj h LEU 62 N 0.00 0.27 -1.47 1.34 3.38 -1.97 -3.42 115.31 113.44 1jdj h LEU 62 Ca 0.00 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.13 1jdj h LEU 62 Cb 0.17 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1jdj h LEU 62 CO 0.00 1.46 0.00 0.49 0.09 0.00 0.00 178.44 180.48 1jdj n PHE 63 N -4.15 0.00 -2.71 1.13 3.01 -1.17 -4.87 117.46 108.71 1jdj n PHE 63 Ca -0.22 -0.15 -0.08 0.00 1.01 0.00 0.00 57.45 58.01 1jdj n PHE 63 Cb 0.79 -0.02 0.09 0.00 -0.01 0.00 0.00 39.48 40.33 1jdj n PHE 63 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1jdj n LEU 64 N -0.15 -1.17 -4.74 4.37 7.94 -0.13 -3.72 117.00 119.40 1jdj n LEU 64 Ca 0.00 -3.60 -0.40 0.00 -1.11 0.00 0.00 56.01 50.90 1jdj n LEU 64 Cb 0.34 0.23 0.02 0.00 0.53 0.00 0.00 43.42 44.54 1jdj n LEU 64 CO 0.00 1.86 0.99 0.29 -1.11 0.00 0.00 177.39 179.42 1jdj n LYS 65 N -0.35 2.11 0.00 1.96 5.02 -1.04 -3.01 118.16 122.85 1jdj n LYS 65 Ca 0.01 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 1jdj n LYS 65 Cb 0.82 -2.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 1jdj n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jdj n GLY 66 N 0.68 1.07 3.38 0.72 0.00 -1.26 -5.04 105.19 104.74 1jdj n GLY 66 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1jdj n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jdj s VAL 67 N -2.27 3.86 -0.07 1.61 1.01 -1.16 -5.07 120.40 118.30 1jdj s VAL 67 Ca 0.00 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 1jdj s VAL 67 Cb 0.00 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 1jdj s VAL 67 CO 0.00 0.37 0.98 -1.58 0.00 0.00 0.00 175.10 174.88 1jdj s GLN 68 N 1.55 4.47 0.38 2.72 0.74 -1.26 -4.38 119.66 123.88 1jdj s GLN 68 Ca 0.06 1.38 -0.25 0.00 0.05 0.00 0.00 55.36 56.60 1jdj s GLN 68 Cb -0.15 -3.51 -0.09 0.00 1.10 0.00 0.00 33.01 30.36 1jdj s GLN 68 CO 0.00 -0.21 1.04 -0.51 -0.55 0.00 0.00 175.29 175.06 1jdj s LEU 69 N 1.64 4.20 0.59 3.68 1.43 -0.76 -5.00 118.68 124.45 1jdj s LEU 69 Ca 0.49 2.04 -0.20 0.00 -1.03 0.00 0.00 54.13 55.43 1jdj s LEU 69 Cb -0.19 -4.11 -0.03 0.00 0.03 0.00 0.00 46.19 41.89 1jdj s LEU 69 CO 0.21 -0.41 1.34 0.00 0.23 0.00 0.00 176.35 177.72 1jdj n ALA 70 N 0.12 1.45 0.32 4.21 0.00 -1.26 -4.85 120.51 120.49 1jdj n ALA 70 Ca 0.04 0.08 0.21 0.00 0.00 0.00 0.00 53.44 53.77 1jdj n ALA 70 Cb 0.49 -2.35 1.07 0.00 0.00 0.00 0.00 19.45 18.66 1jdj n ALA 70 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1jdj h SER 71 N 1.10 0.00 -0.41 0.00 4.64 -1.98 -2.20 113.55 114.69 1jdj h SER 71 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1jdj h SER 71 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1jdj h SER 71 CO 0.56 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.06 1jdj n ASN 72 N -2.99 4.33 -4.37 4.97 6.94 -1.26 -4.81 115.26 118.06 1jdj n ASN 72 Ca -0.02 -2.64 -0.34 0.00 -0.02 0.00 0.00 54.58 51.55 1jdj n ASN 72 Cb 0.11 -0.62 -0.14 0.00 -2.36 0.00 0.00 39.78 36.77 1jdj n ASN 72 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1jdj s ILE 73 N -2.22 3.47 -0.10 1.53 1.01 -0.83 -1.81 121.20 122.24 1jdj s ILE 73 Ca 0.39 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.56 1jdj s ILE 73 Cb 0.29 -2.54 0.02 0.00 0.01 0.00 0.00 42.46 40.24 1jdj s ILE 73 CO 0.12 0.46 -0.10 -0.89 0.00 0.00 0.00 174.94 174.53 1jdj s THR 74 N 0.97 1.11 0.46 2.92 2.01 0.13 -4.92 115.64 118.32 1jdj s THR 74 Ca -0.00 -0.38 -0.19 0.00 0.31 0.00 0.00 61.69 61.43 1jdj s THR 74 Cb -0.15 -1.08 -0.10 0.00 0.01 0.00 0.00 72.50 71.19 1jdj s THR 74 CO 0.00 0.37 0.96 -0.36 -0.69 0.00 0.00 174.62 174.90 1jdj s PHE 75 N 1.36 3.37 -0.07 4.92 0.40 -1.26 -1.05 117.98 125.65 1jdj s PHE 75 Ca -0.01 1.53 -0.31 0.00 -0.60 0.00 0.00 56.93 57.55 1jdj s PHE 75 Cb -0.14 -2.81 0.07 0.00 0.51 0.00 0.00 43.02 40.65 1jdj s PHE 75 CO -0.05 -0.21 0.69 -0.08 0.70 0.00 0.00 175.22 176.27 1jdj s THR 76 N -2.36 0.00 -2.41 0.64 -1.32 -0.37 -4.85 115.64 104.97 1jdj s THR 76 Ca 0.60 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 61.29 1jdj s THR 76 Cb -0.09 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.12 1jdj s THR 76 CO 0.21 0.00 1.20 -1.54 -2.21 0.00 0.00 174.62 172.28 1jdj n SER 77 N 1.04 2.87 -4.38 8.08 3.41 -1.22 -0.50 113.62 122.92 1jdj n SER 77 Ca -0.19 -1.88 -0.45 0.00 -0.26 0.00 0.00 58.87 56.10 1jdj n SER 77 Cb 0.57 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.39 1jdj n SER 77 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jdj s ASP 78 N -1.58 6.19 0.25 4.04 -1.08 -1.26 -4.83 116.67 118.39 1jdj s ASP 78 Ca 0.27 -1.40 -0.03 0.00 -0.52 0.00 0.00 52.55 50.87 1jdj s ASP 78 Cb 0.18 -2.26 0.45 0.00 -1.46 0.00 0.00 42.92 39.83 1jdj s ASP 78 CO 0.26 -0.94 1.77 0.58 0.52 0.00 0.00 175.17 177.36 1jdj h VAL 79 N 5.88 0.78 0.12 1.11 2.07 -1.96 0.18 116.25 124.43 1jdj h VAL 79 Ca -0.29 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1jdj h VAL 79 Cb 1.10 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1jdj h VAL 79 CO 1.03 0.11 -0.06 -0.33 0.02 0.00 0.00 177.57 178.34 1jdj h GLU 80 N 0.62 -0.16 -0.22 1.57 4.39 -1.93 -2.77 114.58 116.09 1jdj h GLU 80 Ca 0.42 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 60.07 1jdj h GLU 80 Cb 0.53 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1jdj h GLU 80 CO -0.32 0.04 -0.10 0.87 -1.16 0.00 0.00 179.01 178.34 1jdj h LYS 81 N -0.33 0.35 0.40 2.33 1.57 -1.88 -1.76 116.57 117.25 1jdj h LYS 81 Ca -0.02 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1jdj h LYS 81 Cb 0.27 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1jdj h LYS 81 CO 0.03 0.46 -0.38 0.00 -0.57 0.00 0.00 179.45 178.99 1jdj h ALA 82 N 1.57 -0.83 0.00 3.86 0.00 -0.74 -3.16 119.26 119.96 1jdj h ALA 82 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jdj h ALA 82 Cb 0.39 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1jdj h ALA 82 CO 0.02 -1.00 -0.35 0.10 0.00 0.00 0.00 179.25 178.02 1jdj h TYR 83 N -0.79 0.00 -1.40 0.00 -0.00 -1.48 -3.44 116.97 109.86 1jdj h TYR 83 Ca -0.03 0.00 -0.69 0.00 0.00 0.00 0.00 58.73 58.01 1jdj h TYR 83 Cb 0.70 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.43 1jdj h TYR 83 CO -0.20 0.00 1.18 -1.71 -0.00 0.00 0.00 178.16 177.43 1jdj n ASN 84 N -2.80 2.45 0.00 0.10 5.15 -0.67 -0.36 115.26 119.14 1jdj n ASN 84 Ca 0.03 0.75 0.00 0.00 -0.60 0.00 0.00 54.58 54.76 1jdj n ASN 84 Cb 0.52 -1.23 0.00 0.00 -0.53 0.00 0.00 39.78 38.53 1jdj n ASN 84 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jdj n GLY 85 N 5.37 2.64 3.70 8.20 0.00 -1.26 -5.00 105.19 118.84 1jdj n GLY 85 Ca 0.33 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.94 1jdj n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdj n ALA 86 N -0.58 1.26 0.33 4.61 0.00 0.52 -4.60 120.51 122.05 1jdj n ALA 86 Ca 0.00 0.24 0.07 0.00 0.00 0.00 0.00 53.44 53.74 1jdj n ALA 86 Cb 0.00 -2.27 0.09 0.00 0.00 0.00 0.00 19.45 17.27 1jdj n ALA 86 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jdj n GLU 87 N -0.11 1.40 -3.63 0.00 1.02 0.23 -4.93 120.64 114.61 1jdj n GLU 87 Ca 0.07 -1.53 -0.14 0.00 -0.02 0.00 0.00 57.16 55.55 1jdj n GLU 87 Cb 0.40 -1.27 -0.07 0.00 -0.02 0.00 0.00 31.44 30.48 1jdj n GLU 87 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1jdj s ILE 88 N -1.06 0.00 -0.09 -3.67 2.07 -1.25 -4.25 121.20 112.94 1jdj s ILE 88 Ca 0.19 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.45 1jdj s ILE 88 Cb 0.12 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.72 1jdj s ILE 88 CO 0.17 0.00 -0.17 -0.63 -1.91 0.00 0.00 174.94 172.40 1jdj s ILE 89 N 0.44 1.57 -0.07 2.00 1.01 -0.31 -2.15 121.20 123.68 1jdj s ILE 89 Ca -0.00 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.95 1jdj s ILE 89 Cb -0.05 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 1jdj s ILE 89 CO -0.00 0.45 -0.11 -0.76 0.00 0.00 0.00 174.94 174.52 1jdj s LEU 90 N 0.70 2.88 -0.17 2.97 1.02 -0.38 0.40 118.68 126.10 1jdj s LEU 90 Ca -0.12 -0.16 -0.01 0.00 0.02 0.00 0.00 54.13 53.85 1jdj s LEU 90 Cb -0.16 -1.61 -0.01 0.00 0.02 0.00 0.00 46.19 44.43 1jdj s LEU 90 CO 0.03 0.31 -0.12 -0.36 0.02 0.00 0.00 176.35 176.24 1jdj s PHE 91 N -0.53 2.85 -0.02 0.29 0.40 -0.64 -0.64 117.98 119.70 1jdj s PHE 91 Ca 0.07 -0.96 0.02 0.00 -0.60 0.00 0.00 56.93 55.47 1jdj s PHE 91 Cb -0.12 -1.95 0.03 0.00 0.51 0.00 0.00 43.02 41.50 1jdj s PHE 91 CO 0.02 -0.46 0.83 0.28 0.70 0.00 0.00 175.22 176.59 1jdj n VAL 92 N 4.20 0.34 -2.05 -0.44 0.31 0.13 -0.76 118.33 120.07 1jdj n VAL 92 Ca -0.19 -0.39 -0.41 0.00 -0.01 0.00 0.00 64.34 63.35 1jdj n VAL 92 Cb 0.52 0.60 -0.02 0.00 -0.91 0.00 0.00 33.84 34.03 1jdj n VAL 92 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1jdj s ILE 93 N -0.46 2.63 0.52 2.52 1.01 -1.05 -4.73 121.20 121.65 1jdj s ILE 93 Ca 0.04 0.59 -0.21 0.00 0.00 0.00 0.00 60.65 61.07 1jdj s ILE 93 Cb 0.03 -3.38 -0.07 0.00 0.01 0.00 0.00 42.46 39.05 1jdj s ILE 93 CO 0.00 0.12 1.01 -2.65 0.00 0.00 0.00 174.94 173.43 1jdj n PRO 94 N 1.35 1.17 -0.21 2.79 -0.02 -1.26 -4.70 135.00 134.12 1jdj n PRO 94 Ca 0.03 0.43 0.01 0.00 -2.02 0.00 0.00 63.50 61.95 1jdj n PRO 94 Cb 0.41 -2.15 0.11 0.00 -0.02 0.00 0.00 33.50 31.85 1jdj n PRO 94 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1jdj h THR 95 N 1.01 0.51 0.00 3.45 2.02 -1.92 -1.22 112.91 116.76 1jdj h THR 95 Ca -0.47 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 1jdj h THR 95 Cb 1.35 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1jdj h THR 95 CO 0.54 0.02 -0.00 0.06 0.37 0.00 0.00 175.52 176.51 1jdj h GLN 96 N 0.14 0.00 -0.00 6.66 -0.00 -1.92 -2.46 115.11 117.52 1jdj h GLN 96 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.98 1jdj h GLN 96 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.01 1jdj h GLN 96 CO -0.51 0.00 -0.61 1.19 -0.00 0.00 0.00 178.83 178.90 1jdj n PHE 97 N -3.14 0.00 0.16 0.06 0.99 -0.53 -4.73 117.46 110.27 1jdj n PHE 97 Ca -0.03 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.26 1jdj n PHE 97 Cb 0.10 0.00 -0.10 0.00 -1.00 0.00 0.00 39.48 38.49 1jdj n PHE 97 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1jdj h LEU 98 N 0.34 -1.50 -0.12 4.37 3.38 -0.86 -1.23 115.31 119.69 1jdj h LEU 98 Ca 0.00 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1jdj h LEU 98 Cb 0.37 0.54 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1jdj h LEU 98 CO 0.00 -0.58 -0.00 -0.09 0.09 0.00 0.00 178.44 177.86 1jdj h ARG 99 N -0.81 0.04 -0.67 1.13 2.43 -1.85 -2.34 114.38 112.30 1jdj h ARG 99 Ca -0.02 -0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.23 1jdj h ARG 99 Cb 0.78 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.28 1jdj h ARG 99 CO -0.22 0.02 0.44 0.78 -1.51 0.00 0.00 179.97 179.48 1jdj h GLY 100 N 0.04 0.82 0.90 2.80 0.00 -1.84 -1.44 103.07 104.34 1jdj h GLY 100 Ca 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1jdj h GLY 100 CO -0.09 0.17 0.09 -2.75 0.00 0.00 0.00 176.54 173.96 1jdj h PHE 101 N 0.61 0.47 -0.55 5.60 3.57 -0.69 -1.11 116.94 124.85 1jdj h PHE 101 Ca 0.30 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.67 1jdj h PHE 101 Cb 0.38 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1jdj h PHE 101 CO -0.00 0.49 0.01 0.74 -2.23 0.00 0.00 178.31 177.32 1jdj h PHE 102 N 0.32 1.00 -0.24 0.41 -1.00 -1.04 0.26 116.94 116.64 1jdj h PHE 102 Ca 0.10 -0.15 -0.08 0.00 2.81 0.00 0.00 57.97 60.64 1jdj h PHE 102 Cb 0.24 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 39.53 1jdj h PHE 102 CO 0.00 0.90 -0.18 0.93 -1.61 0.00 0.00 178.31 178.35 1jdj h GLU 103 N 0.86 0.54 0.00 1.51 5.08 -1.18 -2.17 114.58 119.22 1jdj h GLU 103 Ca 0.16 -0.26 -0.16 0.00 -1.00 0.00 0.00 59.36 58.09 1jdj h GLU 103 Cb 0.50 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1jdj h GLU 103 CO 0.02 0.84 -1.26 -0.22 -1.00 0.00 0.00 179.01 177.39 1jdj h LYS 104 N 0.25 0.00 0.00 2.33 3.64 -1.18 -3.43 116.57 118.18 1jdj h LYS 104 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1jdj h LYS 104 Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1jdj h LYS 104 CO 0.05 0.34 0.00 0.43 -2.27 0.00 0.00 179.45 178.00 1jdj n SER 105 N -2.96 0.15 -0.65 4.20 7.64 0.86 -4.86 113.62 117.99 1jdj n SER 105 Ca -0.08 -1.03 0.12 0.00 1.01 0.00 0.00 58.87 58.90 1jdj n SER 105 Cb 0.83 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 64.25 1jdj n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jdj n GLY 106 N -0.02 0.34 0.13 0.23 0.00 -0.82 -4.60 105.19 100.46 1jdj n GLY 106 Ca 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 46.02 45.40 1jdj n GLY 106 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jdj h GLY 107 N 4.80 -1.96 1.36 -0.02 0.00 -1.86 0.54 103.07 105.94 1jdj h GLY 107 Ca 0.00 0.95 -0.13 0.00 0.00 0.00 0.00 47.33 48.14 1jdj h GLY 107 CO 0.00 -0.65 -0.35 3.43 0.00 0.00 0.00 176.54 178.97 1jdj h ASN 108 N -0.05 0.74 -0.23 0.19 2.35 -1.96 -2.51 115.58 114.10 1jdj h ASN 108 Ca 0.03 -0.31 0.06 0.00 -0.55 0.00 0.00 56.30 55.53 1jdj h ASN 108 Cb 0.14 -0.21 -0.07 0.00 0.05 0.00 0.00 38.32 38.24 1jdj h ASN 108 CO -0.23 1.02 -0.21 0.25 -1.65 0.00 0.00 177.43 176.61 1jdj h LEU 109 N 0.59 -0.69 -0.29 1.61 5.85 -1.66 0.40 115.31 121.12 1jdj h LEU 109 Ca 0.06 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1jdj h LEU 109 Cb 0.87 0.33 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 1jdj h LEU 109 CO 0.08 -0.25 0.09 0.40 -0.34 0.00 0.00 178.44 178.41 1jdj h ILE 110 N -0.22 0.91 -0.27 4.05 2.04 0.16 0.70 117.51 124.88 1jdj h ILE 110 Ca 0.13 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1jdj h ILE 110 Cb 0.42 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1jdj h ILE 110 CO -0.36 0.04 0.10 0.00 0.00 0.00 0.00 178.15 177.93 1jdj h ALA 111 N 1.19 0.31 0.05 1.87 0.00 -0.90 -0.85 119.26 120.92 1jdj h ALA 111 Ca 0.13 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1jdj h ALA 111 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1jdj h ALA 111 CO -0.14 -0.31 -0.10 -0.92 0.00 0.00 0.00 179.25 177.78 1jdj h TYR 112 N 0.23 -0.26 -0.73 0.00 3.20 0.19 0.37 116.97 119.96 1jdj h TYR 112 Ca 0.12 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.09 1jdj h TYR 112 Cb 0.08 0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.39 1jdj h TYR 112 CO -0.12 -0.16 0.36 0.00 -1.64 0.00 0.00 178.16 176.60 1jdj h ALA 113 N 0.73 1.01 -0.03 1.82 0.00 -0.52 0.21 119.26 122.48 1jdj h ALA 113 Ca 0.02 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1jdj h ALA 113 Cb 0.22 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1jdj h ALA 113 CO -0.07 -0.06 -0.03 0.87 0.00 0.00 0.00 179.25 179.96 1jdj h LYS 114 N 0.60 0.07 0.12 0.00 1.57 -0.84 0.35 116.57 118.44 1jdj h LYS 114 Ca 0.36 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.13 1jdj h LYS 114 Cb 0.41 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 1jdj h LYS 114 CO -0.29 0.53 -0.38 1.49 -0.57 0.00 0.00 179.45 180.24 1jdj h GLU 115 N -0.39 -0.59 -0.06 3.15 4.57 0.27 -2.66 114.58 118.87 1jdj h GLU 115 Ca 0.00 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1jdj h GLU 115 Cb 0.52 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1jdj h GLU 115 CO 0.01 -0.40 0.00 1.63 -1.18 0.00 0.00 179.01 179.07 1jdj n LYS 116 N -5.45 1.43 -3.85 1.92 4.76 0.70 -4.94 118.16 112.73 1jdj n LYS 116 Ca -0.07 -0.63 -0.27 0.00 -2.87 0.00 0.00 58.31 54.47 1jdj n LYS 116 Cb 0.36 -1.42 0.03 0.00 -1.84 0.00 0.00 35.03 32.16 1jdj n LYS 116 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1jdj n GLN 117 N -0.19 -5.20 -2.63 1.97 1.13 0.01 -4.92 117.38 107.55 1jdj n GLN 117 Ca 0.18 0.59 -0.42 0.00 -1.94 0.00 0.00 57.00 55.41 1jdj n GLN 117 Cb 0.24 -5.34 -0.03 0.00 0.11 0.00 0.00 30.24 25.23 1jdj n GLN 117 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1jdj s VAL 118 N -3.46 4.63 0.34 5.09 1.01 -0.58 -5.00 120.40 122.43 1jdj s VAL 118 Ca 0.41 1.90 -0.29 0.00 0.00 0.00 0.00 61.98 64.00 1jdj s VAL 118 Cb -0.21 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 31.85 1jdj s VAL 118 CO 0.83 0.10 1.43 -2.16 0.00 0.00 0.00 175.10 175.30 1jdj s PRO 119 N 1.34 4.22 -0.10 2.72 0.04 -1.26 -4.85 135.00 137.11 1jdj s PRO 119 Ca 0.53 2.41 0.03 0.00 0.04 0.00 0.00 61.00 64.01 1jdj s PRO 119 Cb -0.22 -3.03 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 1jdj s PRO 119 CO 0.26 -0.41 -0.21 0.08 0.04 0.00 0.00 177.00 176.76 1jdj s VAL 120 N -0.87 2.37 -0.24 -0.36 1.01 -0.18 -1.16 120.40 120.96 1jdj s VAL 120 Ca 0.53 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1jdj s VAL 120 Cb -0.44 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.04 1jdj s VAL 120 CO 0.56 0.55 -0.07 -0.22 0.00 0.00 0.00 175.10 175.91 1jdj s LEU 121 N 0.24 3.02 -0.25 3.92 2.96 0.16 -2.15 118.68 126.58 1jdj s LEU 121 Ca -0.14 -0.77 -0.24 0.00 -0.22 0.00 0.00 54.13 52.77 1jdj s LEU 121 Cb -0.17 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 1jdj s LEU 121 CO 0.07 -0.10 0.79 -0.69 -1.32 0.00 0.00 176.35 175.10 1jdj s VAL 122 N 1.35 4.86 -0.05 1.68 1.01 0.73 -1.62 120.40 128.34 1jdj s VAL 122 Ca 0.02 1.44 0.01 0.00 0.00 0.00 0.00 61.98 63.44 1jdj s VAL 122 Cb -0.16 -4.09 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 1jdj s VAL 122 CO -0.05 -0.08 0.29 0.00 0.00 0.00 0.00 175.10 175.26 1jdj s THR 124 N -0.50 3.49 0.00 0.00 2.01 -0.94 -4.85 115.64 114.84 1jdj s THR 124 Ca 0.00 1.14 0.01 0.00 0.31 0.00 0.00 61.69 63.16 1jdj s THR 124 Cb 0.00 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 1jdj s THR 124 CO 0.01 0.01 -0.05 -0.54 -0.69 0.00 0.00 174.62 173.36 1jdj s LYS 125 N -2.54 0.38 0.00 4.92 1.02 -1.26 -4.70 119.74 117.55 1jdj s LYS 125 Ca 0.59 -0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.36 1jdj s LYS 125 Cb -0.25 -0.34 0.00 0.00 -0.52 0.00 0.00 37.83 36.72 1jdj s LYS 125 CO 0.31 0.09 0.00 0.41 -0.92 0.00 0.00 175.35 175.24 1jdj n GLY 126 N 2.80 0.60 2.81 -3.33 0.00 -1.26 -4.59 105.19 102.22 1jdj n GLY 126 Ca -0.14 -1.77 -0.22 0.00 0.00 0.00 0.00 46.02 43.89 1jdj n GLY 126 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jdj s ILE 127 N -2.43 0.41 0.06 -0.61 1.01 -1.26 -4.18 121.20 114.20 1jdj s ILE 127 Ca 0.00 0.05 -0.31 0.00 0.00 0.00 0.00 60.65 60.39 1jdj s ILE 127 Cb 0.00 -0.53 -0.07 0.00 0.01 0.00 0.00 42.46 41.87 1jdj s ILE 127 CO 0.00 0.24 1.41 -0.70 0.00 0.00 0.00 174.94 175.89 1jdj s GLU 128 N 1.62 4.30 0.16 2.79 2.12 -0.49 -4.92 118.70 124.28 1jdj s GLU 128 Ca -0.00 2.04 -0.13 0.00 0.36 0.00 0.00 54.97 57.23 1jdj s GLU 128 Cb -0.13 -3.41 0.05 0.00 0.26 0.00 0.00 34.13 30.90 1jdj s GLU 128 CO -0.04 -0.51 1.71 0.00 -0.54 0.00 0.00 175.26 175.89 1jdj h ARG 129 N 7.33 0.78 -0.27 4.30 3.08 -1.95 0.45 114.38 128.10 1jdj h ARG 129 Ca -0.40 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 59.42 1jdj h ARG 129 Cb 1.20 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1jdj h ARG 129 CO 0.88 0.69 -0.19 0.66 -1.07 0.00 0.00 179.97 180.95 1jdj h SER 130 N 0.71 0.47 -0.00 7.04 4.64 -1.99 -3.33 113.55 121.09 1jdj h SER 130 Ca 0.17 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1jdj h SER 130 Cb 0.20 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1jdj h SER 130 CO -0.01 0.67 -0.17 0.35 -0.87 0.00 0.00 176.83 176.80 1jdj n THR 131 N -4.16 0.00 -2.90 2.95 -2.24 -1.21 -5.00 114.28 101.71 1jdj n THR 131 Ca 0.00 -0.42 -0.22 0.00 -2.27 0.00 0.00 64.05 61.14 1jdj n THR 131 Cb 0.36 1.00 0.02 0.00 -2.10 0.00 0.00 70.33 69.62 1jdj n THR 131 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jdj n LEU 132 N -1.06 -2.45 -4.76 3.22 4.77 0.16 -4.98 117.00 111.88 1jdj n LEU 132 Ca 0.01 -0.23 -0.24 0.00 -0.03 0.00 0.00 56.01 55.52 1jdj n LEU 132 Cb 0.06 -2.92 -0.06 0.00 -2.33 0.00 0.00 43.42 38.17 1jdj n LEU 132 CO 0.07 0.13 -0.23 -0.54 -1.33 0.00 0.00 177.39 175.49 1jdj s LYS 133 N -5.58 2.74 0.44 3.23 1.02 -1.24 -4.85 119.74 115.50 1jdj s LYS 133 Ca 0.24 -1.09 -0.02 0.00 0.02 0.00 0.00 55.97 55.12 1jdj s LYS 133 Cb -0.11 -2.48 -0.02 0.00 -0.52 0.00 0.00 37.83 34.70 1jdj s LYS 133 CO 0.30 0.42 0.68 -0.06 -0.92 0.00 0.00 175.35 175.77 1jdj s PHE 134 N -2.04 3.41 0.18 3.18 0.40 -1.26 -1.40 117.98 120.45 1jdj s PHE 134 Ca 0.31 0.47 -0.22 0.00 -0.60 0.00 0.00 56.93 56.89 1jdj s PHE 134 Cb -0.08 -2.21 0.11 0.00 0.51 0.00 0.00 43.02 41.34 1jdj s PHE 134 CO 0.23 -0.22 1.58 -1.35 0.70 0.00 0.00 175.22 176.16 1jdj h PRO 135 N 0.41 -0.16 -0.10 0.24 0.11 -1.84 -0.19 132.00 130.47 1jdj h PRO 135 Ca -0.47 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1jdj h PRO 135 Cb 1.23 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1jdj h PRO 135 CO 0.60 -0.11 -0.09 0.00 -0.21 0.00 0.00 178.00 178.19 1jdj h ALA 136 N 0.92 1.66 -0.28 -0.75 0.00 -1.95 -0.26 119.26 118.58 1jdj h ALA 136 Ca 0.23 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1jdj h ALA 136 Cb 0.56 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1jdj h ALA 136 CO -0.71 0.25 -0.43 0.93 0.00 0.00 0.00 179.25 179.29 1jdj h GLU 137 N 0.15 0.79 0.01 0.00 5.08 -1.63 0.44 114.58 119.42 1jdj h GLU 137 Ca 0.03 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1jdj h GLU 137 Cb 0.26 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1jdj h GLU 137 CO 0.01 1.11 -0.00 0.82 -1.00 0.00 0.00 179.01 179.95 1jdj h ILE 138 N 0.55 1.07 -0.14 3.13 2.04 -0.30 -2.12 117.51 121.74 1jdj h ILE 138 Ca 0.03 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1jdj h ILE 138 Cb 1.03 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1jdj h ILE 138 CO 0.10 0.06 0.01 0.40 0.00 0.00 0.00 178.15 178.72 1jdj h ILE 139 N -0.12 1.09 0.00 -0.67 2.04 -1.06 -0.31 117.51 118.48 1jdj h ILE 139 Ca -0.00 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1jdj h ILE 139 Cb 0.11 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1jdj h ILE 139 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 178.15 178.87 1jdj n GLY 140 N -1.29 -0.76 0.13 5.37 0.00 0.14 -0.92 105.19 107.86 1jdj n GLY 140 Ca -0.01 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1jdj n GLY 140 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jdj h GLU 141 N 0.00 0.00 0.00 1.61 5.08 -0.88 -3.36 114.58 117.02 1jdj h GLU 141 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1jdj h GLU 141 Cb 0.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1jdj h GLU 141 CO 0.00 0.00 -1.47 1.19 -1.00 0.00 0.00 179.01 177.73 1jdj n PHE 142 N -2.53 0.00 -4.54 4.33 3.01 -0.10 -5.03 117.46 112.59 1jdj n PHE 142 Ca 0.04 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.23 1jdj n PHE 142 Cb 0.48 -0.34 -0.14 0.00 -0.01 0.00 0.00 39.48 39.47 1jdj n PHE 142 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1jdj s LEU 143 N -4.48 2.24 0.43 4.37 1.43 -0.14 -5.02 118.68 117.51 1jdj s LEU 143 Ca -0.03 -0.63 -0.24 0.00 -1.03 0.00 0.00 54.13 52.19 1jdj s LEU 143 Cb 0.02 -1.07 -0.08 0.00 0.03 0.00 0.00 46.19 45.09 1jdj s LEU 143 CO 0.28 0.16 1.15 -2.16 0.23 0.00 0.00 176.35 176.01 1jdj s PRO 144 N -1.59 3.93 0.27 1.29 0.04 -1.26 -4.25 135.00 133.43 1jdj s PRO 144 Ca 0.10 1.75 -0.00 0.00 0.04 0.00 0.00 61.00 62.89 1jdj s PRO 144 Cb -0.10 -2.53 0.54 0.00 0.04 0.00 0.00 34.50 32.46 1jdj s PRO 144 CO 0.03 -0.40 1.80 0.77 0.04 0.00 0.00 177.00 179.24 1jdj h SER 145 N 2.33 0.72 -0.24 6.66 0.02 -1.94 -2.34 113.55 118.77 1jdj h SER 145 Ca -0.49 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 60.60 1jdj h SER 145 Cb 1.24 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 1jdj h SER 145 CO 0.61 0.35 0.62 -0.65 -1.14 0.00 0.00 176.83 176.62 1jdj h PRO 146 N 0.79 0.00 -0.23 3.45 0.11 -2.02 0.75 132.00 134.85 1jdj h PRO 146 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 1jdj h PRO 146 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1jdj h PRO 146 CO -0.31 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.76 1jdj n LEU 147 N -3.06 2.82 -4.53 2.35 4.77 -0.88 -4.98 117.00 113.49 1jdj n LEU 147 Ca 0.04 -1.42 -0.34 0.00 -0.03 0.00 0.00 56.01 54.26 1jdj n LEU 147 Cb 0.72 -0.15 -0.11 0.00 -2.33 0.00 0.00 43.42 41.55 1jdj n LEU 147 CO 0.15 0.60 -0.31 -0.76 -1.33 0.00 0.00 177.39 175.75 1jdj s LEU 148 N -1.23 3.46 0.14 2.23 1.43 0.26 -1.01 118.68 123.96 1jdj s LEU 148 Ca 0.26 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 1jdj s LEU 148 Cb 0.16 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1jdj s LEU 148 CO 0.22 0.14 -0.06 -0.44 0.23 0.00 0.00 176.35 176.44 1jdj s SER 149 N 0.57 1.45 0.01 2.29 0.01 -0.91 -4.69 113.70 112.42 1jdj s SER 149 Ca 0.00 -1.07 0.07 0.00 1.31 0.00 0.00 55.95 56.26 1jdj s SER 149 Cb -0.14 0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.13 1jdj s SER 149 CO 0.02 -0.45 -0.20 -0.69 0.41 0.00 0.00 173.24 172.33 1jdj s VAL 150 N -3.51 1.59 -0.15 3.43 1.01 0.45 -0.19 120.40 123.02 1jdj s VAL 150 Ca 0.18 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 1jdj s VAL 150 Cb 0.05 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 1jdj s VAL 150 CO 0.00 0.31 -0.12 -0.22 0.00 0.00 0.00 175.10 175.08 1jdj s LEU 151 N -0.82 2.71 -0.08 3.92 0.20 -0.62 -0.15 118.68 123.84 1jdj s LEU 151 Ca 0.07 -0.37 -0.22 0.00 0.69 0.00 0.00 54.13 54.30 1jdj s LEU 151 Cb -0.08 -1.63 0.05 0.00 -0.43 0.00 0.00 46.19 44.10 1jdj s LEU 151 CO 0.00 0.11 0.52 0.00 -0.29 0.00 0.00 176.35 176.70 1jdj s ALA 152 N 0.68 -1.33 0.00 5.97 0.00 -0.84 -4.72 121.76 121.52 1jdj s ALA 152 Ca -0.06 1.05 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1jdj s ALA 152 Cb -0.15 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1jdj s ALA 152 CO 0.02 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1jdj n GLY 153 N 1.52 1.22 3.57 0.00 0.00 -1.26 -0.29 105.19 109.93 1jdj n GLY 153 Ca -0.18 -1.14 -0.40 0.00 0.00 0.00 0.00 46.02 44.30 1jdj n GLY 153 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1jdj s PRO 154 N -2.00 2.77 -0.42 1.61 0.02 -1.25 -4.69 135.00 131.04 1jdj s PRO 154 Ca 0.00 0.98 0.07 0.00 0.02 0.00 0.00 61.00 62.08 1jdj s PRO 154 Cb 0.00 -4.36 0.24 0.00 0.02 0.00 0.00 34.50 30.40 1jdj s PRO 154 CO 0.00 -2.54 0.62 -1.13 -0.33 0.00 0.00 177.00 173.63 1jdj n SER 155 N 12.44 -0.87 -4.64 2.53 3.41 -1.26 -4.44 113.62 120.79 1jdj n SER 155 Ca 0.24 -2.86 -0.48 0.00 -0.26 0.00 0.00 58.87 55.50 1jdj n SER 155 Cb 0.51 0.16 -0.05 0.00 -0.26 0.00 0.00 64.21 64.56 1jdj n SER 155 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1jdj n PHE 156 N 1.60 2.02 -0.11 7.33 0.99 -1.26 -4.82 117.46 123.21 1jdj n PHE 156 Ca 0.18 0.39 -0.05 0.00 -0.00 0.00 0.00 57.45 57.96 1jdj n PHE 156 Cb 0.56 -2.47 0.01 0.00 -1.00 0.00 0.00 39.48 36.57 1jdj n PHE 156 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1jdj h ALA 157 N 5.59 0.25 -0.41 4.37 0.00 -1.96 -1.94 119.26 125.17 1jdj h ALA 157 Ca -0.46 0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.66 1jdj h ALA 157 Cb 1.28 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 19.27 1jdj h ALA 157 CO 0.85 -0.45 -0.00 0.97 0.00 0.00 0.00 179.25 180.62 1jdj h ILE 158 N 0.01 0.69 -0.67 0.00 6.09 -1.90 0.43 117.51 122.16 1jdj h ILE 158 Ca 0.18 -0.03 -0.02 0.00 -1.37 0.00 0.00 64.86 63.61 1jdj h ILE 158 Cb 0.27 0.57 -0.03 0.00 0.47 0.00 0.00 36.82 38.10 1jdj h ILE 158 CO -0.37 0.02 0.34 -0.33 -3.07 0.00 0.00 178.15 174.75 1jdj h GLU 159 N 0.10 0.94 -0.27 2.19 5.08 -1.84 -1.51 114.58 119.27 1jdj h GLU 159 Ca 0.20 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1jdj h GLU 159 Cb 0.29 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1jdj h GLU 159 CO -0.34 0.73 0.03 0.28 -1.00 0.00 0.00 179.01 178.71 1jdj h VAL 160 N 0.92 1.24 -0.62 3.13 2.07 -0.55 0.57 116.25 123.01 1jdj h VAL 160 Ca 0.23 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1jdj h VAL 160 Cb 0.08 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1jdj h VAL 160 CO -0.03 0.27 0.40 0.00 0.02 0.00 0.00 177.57 178.22 1jdj h ALA 161 N 0.85 1.54 -0.44 1.67 0.00 0.08 -2.23 119.26 120.73 1jdj h ALA 161 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jdj h ALA 161 Cb 0.37 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1jdj h ALA 161 CO 0.01 0.42 0.00 0.25 0.00 0.00 0.00 179.25 179.93 1jdj n THR 162 N -4.43 0.58 -1.08 0.00 -2.24 -0.59 -4.87 114.28 101.65 1jdj n THR 162 Ca 0.06 -0.61 -0.03 0.00 -2.27 0.00 0.00 64.05 61.20 1jdj n THR 162 Cb 0.05 0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 68.63 1jdj n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jdj n GLY 163 N 1.26 0.60 3.73 3.38 0.00 -0.84 -5.01 105.19 108.31 1jdj n GLY 163 Ca 0.16 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1jdj n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jdj s VAL 164 N -2.01 3.76 -0.38 1.61 1.01 0.16 -4.85 120.40 119.69 1jdj s VAL 164 Ca 0.00 1.38 -0.38 0.00 0.00 0.00 0.00 61.98 62.99 1jdj s VAL 164 Cb 0.00 -3.88 -0.16 0.00 0.00 0.00 0.00 36.38 32.33 1jdj s VAL 164 CO 0.00 0.17 1.27 0.33 0.00 0.00 0.00 175.10 176.87 1jdj n PHE 165 N 3.11 1.37 -3.87 5.22 7.35 -1.25 -4.49 117.46 124.89 1jdj n PHE 165 Ca 0.06 0.93 -0.12 0.00 -0.76 0.00 0.00 57.45 57.57 1jdj n PHE 165 Cb 0.45 -1.80 -0.13 0.00 0.35 0.00 0.00 39.48 38.35 1jdj n PHE 165 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1jdj s THR 166 N 2.27 0.02 -0.05 -2.13 2.01 -0.02 -5.02 115.64 112.72 1jdj s THR 166 Ca 0.85 -0.21 0.05 0.00 0.31 0.00 0.00 61.69 62.69 1jdj s THR 166 Cb -1.21 -0.16 -0.01 0.00 0.01 0.00 0.00 72.50 71.14 1jdj s THR 166 CO 0.65 -0.11 -0.22 0.00 -0.69 0.00 0.00 174.62 174.25 1jdj s VAL 168 N -0.08 0.08 0.13 0.00 -7.23 -0.62 -3.87 120.40 108.81 1jdj s VAL 168 Ca -0.04 -1.84 0.07 0.00 -1.81 0.00 0.00 61.98 58.36 1jdj s VAL 168 Cb -0.13 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 1jdj s VAL 168 CO 0.03 -0.35 -0.06 -0.94 -0.31 0.00 0.00 175.10 173.47 1jdj s SER 169 N -3.05 4.57 -0.17 4.85 1.04 0.60 -0.48 113.70 121.04 1jdj s SER 169 Ca 0.26 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.31 1jdj s SER 169 Cb 0.07 -0.92 0.02 0.00 0.10 0.00 0.00 66.02 65.29 1jdj s SER 169 CO 0.03 0.14 -0.20 -0.63 0.98 0.00 0.00 173.24 173.56 1jdj s ILE 170 N -1.44 2.07 -0.08 -1.02 -1.09 0.12 -1.98 121.20 117.77 1jdj s ILE 170 Ca 0.24 -0.94 -0.00 0.00 -2.23 0.00 0.00 60.65 57.72 1jdj s ILE 170 Cb -0.10 -1.86 -0.03 0.00 -1.58 0.00 0.00 42.46 38.89 1jdj s ILE 170 CO 0.16 0.54 -0.05 0.00 -1.23 0.00 0.00 174.94 174.36 1jdj s ALA 171 N 1.22 3.04 -0.25 9.38 0.00 0.79 -1.63 121.76 134.32 1jdj s ALA 171 Ca 0.03 -0.86 -0.17 0.00 0.00 0.00 0.00 51.96 50.96 1jdj s ALA 171 Cb -0.13 -1.32 0.07 0.00 0.00 0.00 0.00 23.12 21.74 1jdj s ALA 171 CO -0.11 0.53 0.63 0.45 0.00 0.00 0.00 175.76 177.25 1jdj s SER 172 N -0.67 -0.78 0.29 0.00 0.15 -0.57 -0.41 113.70 111.69 1jdj s SER 172 Ca 0.10 1.34 0.02 0.00 0.70 0.00 0.00 55.95 58.11 1jdj s SER 172 Cb -0.11 1.26 0.70 0.00 -1.71 0.00 0.00 66.02 66.15 1jdj s SER 172 CO 0.02 -0.23 1.66 0.00 1.20 0.00 0.00 173.24 175.89 1jdj h ALA 173 N 6.39 1.28 -2.08 5.45 0.00 -1.84 -3.18 119.26 125.29 1jdj h ALA 173 Ca -0.31 0.21 -0.68 0.00 0.00 0.00 0.00 54.91 54.13 1jdj h ALA 173 Cb 1.20 0.29 -0.18 0.00 0.00 0.00 0.00 17.79 19.10 1jdj h ALA 173 CO 0.16 -0.44 0.07 0.34 0.00 0.00 0.00 179.25 179.38 1jdj s ASP 174 N -5.11 6.23 0.42 0.00 3.68 -1.26 -4.86 116.67 115.77 1jdj s ASP 174 Ca -0.12 -0.92 0.19 0.00 2.13 0.00 0.00 52.55 53.84 1jdj s ASP 174 Cb 0.25 -2.30 1.13 0.00 -1.45 0.00 0.00 42.92 40.56 1jdj s ASP 174 CO 0.77 -0.91 1.82 -0.29 0.13 0.00 0.00 175.17 176.69 1jdj h ILE 175 N 5.87 0.61 -0.06 4.11 6.09 -1.86 0.97 117.51 133.23 1jdj h ILE 175 Ca -0.28 -0.13 -0.03 0.00 -1.37 0.00 0.00 64.86 63.06 1jdj h ILE 175 Cb 1.09 0.20 -0.01 0.00 0.47 0.00 0.00 36.82 38.58 1jdj h ILE 175 CO 0.97 0.07 -0.09 0.78 -3.07 0.00 0.00 178.15 176.82 1jdj h ASN 176 N 0.37 0.08 -0.34 2.19 2.35 -1.92 0.00 115.58 118.32 1jdj h ASN 176 Ca 0.52 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 56.15 1jdj h ASN 176 Cb 1.36 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.71 1jdj h ASN 176 CO -0.20 0.18 -0.21 0.58 -1.65 0.00 0.00 177.43 176.13 1jdj h VAL 177 N 0.08 1.29 -0.72 2.81 2.07 -1.16 -2.75 116.25 117.87 1jdj h VAL 177 Ca 0.02 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.15 1jdj h VAL 177 Cb 0.21 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1jdj h VAL 177 CO 0.01 0.44 0.28 0.00 0.02 0.00 0.00 177.57 178.32 1jdj h ALA 178 N 0.76 0.94 -0.25 1.67 0.00 -1.20 -2.70 119.26 118.48 1jdj h ALA 178 Ca 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1jdj h ALA 178 Cb 0.76 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1jdj h ALA 178 CO 0.06 0.57 0.03 0.00 0.00 0.00 0.00 179.25 179.91 1jdj h ARG 179 N 1.04 0.37 -0.12 0.00 3.08 -0.94 -0.32 114.38 117.49 1jdj h ARG 179 Ca 0.24 -0.06 -0.22 0.00 0.07 0.00 0.00 59.98 60.02 1jdj h ARG 179 Cb 0.23 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.23 1jdj h ARG 179 CO -0.02 0.37 -0.78 -0.09 -1.07 0.00 0.00 179.97 178.38 1jdj h ARG 180 N 0.36 0.74 0.00 0.04 2.43 -1.22 -2.59 114.38 114.14 1jdj h ARG 180 Ca 0.09 -0.64 -0.05 0.00 -0.81 0.00 0.00 59.98 58.57 1jdj h ARG 180 Cb 0.19 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1jdj h ARG 180 CO 0.00 1.24 -0.26 -0.07 -1.51 0.00 0.00 179.97 179.38 1jdj h LEU 181 N 0.45 0.00 -1.26 3.80 -0.00 -1.16 -1.42 115.31 115.71 1jdj h LEU 181 Ca -0.06 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.74 1jdj h LEU 181 Cb 1.42 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.07 1jdj h LEU 181 CO 0.16 0.26 -0.37 -0.61 -0.00 0.00 0.00 178.44 177.88 1jdj h GLN 182 N 0.00 0.00 0.00 1.13 4.15 -0.88 0.18 115.11 119.69 1jdj h GLN 182 Ca -0.00 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.32 1jdj h GLN 182 Cb 0.51 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 1jdj h GLN 182 CO 0.03 0.37 -0.46 0.00 -1.93 0.00 0.00 178.83 176.84 1jdj h ARG 183 N 0.00 0.00 0.09 1.69 3.08 -0.88 -2.91 114.38 115.46 1jdj h ARG 183 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 1jdj h ARG 183 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1jdj h ARG 183 CO 0.05 0.46 -1.21 0.82 -1.07 0.00 0.00 179.97 179.01 1jdj h ILE 184 N 0.00 1.13 0.00 2.04 2.04 -1.03 -0.97 117.51 120.72 1jdj h ILE 184 Ca -0.00 -2.38 -0.17 0.00 1.00 0.00 0.00 64.86 63.31 1jdj h ILE 184 Cb 1.32 2.75 -0.02 0.00 -0.74 0.00 0.00 36.82 40.13 1jdj h ILE 184 CO 0.06 0.64 -0.79 0.24 0.00 0.00 0.00 178.15 178.30 1jdj h MET 185 N -0.47 0.00 -6.53 2.37 2.86 -1.10 -3.45 114.93 108.61 1jdj h MET 185 Ca -0.27 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 56.84 1jdj h MET 185 Cb 1.62 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.30 1jdj h MET 185 CO 0.03 0.79 0.74 -1.12 1.06 0.00 0.00 176.91 178.41 1jdj s SER 186 N -6.72 6.82 0.46 1.22 0.01 -1.10 -4.91 113.70 109.49 1jdj s SER 186 Ca 0.00 2.31 -0.16 0.00 1.31 0.00 0.00 55.95 59.42 1jdj s SER 186 Cb 0.11 -2.58 -0.08 0.00 0.21 0.00 0.00 66.02 63.67 1jdj s SER 186 CO 0.79 -0.66 0.90 0.42 0.41 0.00 0.00 173.24 175.10 1jdj s THR 187 N 1.23 4.59 0.55 1.44 -4.23 -0.85 -4.91 115.64 113.47 1jdj s THR 187 Ca 0.65 1.08 0.22 0.00 -1.18 0.00 0.00 61.69 62.46 1jdj s THR 187 Cb -0.36 -3.70 0.31 0.00 1.34 0.00 0.00 72.50 70.09 1jdj s THR 187 CO 0.30 -0.55 2.19 1.23 -0.54 0.00 0.00 174.62 177.25 1jdj h GLY 188 N 1.27 0.00 -1.93 3.99 0.00 -1.92 -1.72 103.07 102.76 1jdj h GLY 188 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1jdj h GLY 188 CO 0.62 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.25 1jdj n ASP 189 N -4.24 2.82 -2.73 0.19 3.85 -1.26 -4.93 116.55 110.25 1jdj n ASP 189 Ca -0.03 -1.99 -0.21 0.00 -0.71 0.00 0.00 54.79 51.85 1jdj n ASP 189 Cb 0.09 -0.34 0.01 0.00 -1.35 0.00 0.00 41.12 39.53 1jdj n ASP 189 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1jdj n ARG 190 N 1.05 -3.29 0.06 0.11 5.12 -0.65 -4.87 116.66 114.19 1jdj n ARG 190 Ca 0.18 0.93 0.11 0.00 -1.93 0.00 0.00 57.85 57.14 1jdj n ARG 190 Cb 0.45 -5.69 0.01 0.00 -1.16 0.00 0.00 32.46 26.07 1jdj n ARG 190 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1jdj n SER 191 N -2.26 0.64 -3.75 0.55 3.41 -1.26 -4.66 113.62 106.29 1jdj n SER 191 Ca -0.17 0.09 -0.29 0.00 -0.26 0.00 0.00 58.87 58.24 1jdj n SER 191 Cb 0.65 0.72 -0.16 0.00 -0.26 0.00 0.00 64.21 65.16 1jdj n SER 191 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1jdj s PHE 192 N -3.31 1.48 -0.15 7.33 5.36 -1.26 -0.85 117.98 126.60 1jdj s PHE 192 Ca 0.01 -1.37 -0.03 0.00 -0.96 0.00 0.00 56.93 54.58 1jdj s PHE 192 Cb 0.12 -1.40 -0.02 0.00 -0.34 0.00 0.00 43.02 41.37 1jdj s PHE 192 CO 0.80 -0.76 -0.07 0.08 -1.46 0.00 0.00 175.22 173.81 1jdj s VAL 193 N 1.70 3.63 -0.07 3.12 1.01 -0.37 -2.00 120.40 127.42 1jdj s VAL 193 Ca 0.04 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1jdj s VAL 193 Cb -0.17 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 1jdj s VAL 193 CO -0.16 0.50 -0.05 0.00 0.00 0.00 0.00 175.10 175.39 1jdj s TRP 195 N -0.83 2.58 0.22 0.00 0.52 0.36 -4.95 118.94 116.84 1jdj s TRP 195 Ca 0.13 -0.70 -0.25 0.00 0.02 0.00 0.00 56.10 55.30 1jdj s TRP 195 Cb -0.11 -1.68 -0.09 0.00 -1.15 0.00 0.00 33.47 30.44 1jdj s TRP 195 CO 0.02 -0.21 0.82 0.00 0.02 0.00 0.00 176.95 177.60 1jdj s ALA 196 N -0.02 3.38 0.18 0.98 0.00 -1.26 0.15 121.76 125.17 1jdj s ALA 196 Ca -0.07 0.38 -0.17 0.00 0.00 0.00 0.00 51.96 52.11 1jdj s ALA 196 Cb -0.15 -3.01 0.03 0.00 0.00 0.00 0.00 23.12 20.00 1jdj s ALA 196 CO 0.05 0.27 0.49 -0.08 0.00 0.00 0.00 175.76 176.49 1jdj s THR 197 N -1.33 0.03 -0.31 0.00 -1.32 -0.65 -4.89 115.64 107.18 1jdj s THR 197 Ca 0.41 -0.76 0.19 0.00 -1.21 0.00 0.00 61.69 60.32 1jdj s THR 197 Cb -0.21 -1.51 -0.26 0.00 -1.51 0.00 0.00 72.50 69.01 1jdj s THR 197 CO 0.25 -0.16 0.53 0.35 -2.21 0.00 0.00 174.62 173.39 1jdj n THR 198 N -0.32 0.00 -1.08 5.08 -2.24 -1.26 -1.51 114.28 112.95 1jdj n THR 198 Ca -0.11 -0.31 -0.38 0.00 -2.27 0.00 0.00 64.05 60.98 1jdj n THR 198 Cb 0.63 0.38 -0.04 0.00 -2.10 0.00 0.00 70.33 69.20 1jdj n THR 198 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1jdj n ASP 199 N -1.91 3.12 -0.26 3.42 4.64 -1.26 -3.85 116.55 120.45 1jdj n ASP 199 Ca -0.01 -2.60 -0.05 0.00 -1.38 0.00 0.00 54.79 50.74 1jdj n ASP 199 Cb 0.42 -1.13 0.06 0.00 -1.04 0.00 0.00 41.12 39.43 1jdj n ASP 199 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1jdj h THR 200 N 4.21 1.20 -0.15 5.18 1.35 -1.88 -2.18 112.91 120.65 1jdj h THR 200 Ca 0.45 -0.44 -0.00 0.00 -0.55 0.00 0.00 66.41 65.87 1jdj h THR 200 Cb 0.55 0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 67.14 1jdj h THR 200 CO 1.84 0.21 0.08 0.58 -0.25 0.00 0.00 175.52 177.98 1jdj h VAL 201 N 0.99 1.10 -0.91 6.82 2.07 -1.97 -1.39 116.25 122.96 1jdj h VAL 201 Ca 0.26 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1jdj h VAL 201 Cb -0.05 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 1jdj h VAL 201 CO -0.05 0.10 0.57 1.23 0.02 0.00 0.00 177.57 179.44 1jdj h GLY 202 N 0.13 1.37 0.93 2.17 0.00 -1.87 0.15 103.07 105.94 1jdj h GLY 202 Ca 0.05 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1jdj h GLY 202 CO -0.01 0.30 0.12 0.00 0.00 0.00 0.00 176.54 176.96 1jdj h GLU 204 N 0.29 0.98 0.28 0.00 5.08 -0.77 -0.98 114.58 119.46 1jdj h GLU 204 Ca 0.09 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1jdj h GLU 204 Cb 0.12 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1jdj h GLU 204 CO -0.01 1.04 -0.13 0.28 -1.00 0.00 0.00 179.01 179.18 1jdj h VAL 205 N 0.86 0.76 -0.79 3.13 2.07 -0.57 -2.58 116.25 119.14 1jdj h VAL 205 Ca 0.13 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.42 1jdj h VAL 205 Cb 0.69 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 1jdj h VAL 205 CO 0.05 0.06 0.47 0.00 0.02 0.00 0.00 177.57 178.18 1jdj h ALA 206 N 0.15 1.07 0.00 1.67 0.00 -0.81 -0.23 119.26 121.10 1jdj h ALA 206 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1jdj h ALA 206 Cb 0.39 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1jdj h ALA 206 CO 0.06 0.19 -0.11 0.77 0.00 0.00 0.00 179.25 180.16 1jdj h SER 207 N 0.86 0.00 0.00 0.00 0.02 -1.08 -1.07 113.55 112.28 1jdj h SER 207 Ca 0.35 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.13 1jdj h SER 207 Cb 0.18 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1jdj h SER 207 CO -0.18 0.11 -0.93 0.00 -1.14 0.00 0.00 176.83 174.70 1jdj h ALA 208 N 1.89 0.19 -0.18 3.77 0.00 -0.98 -3.39 119.26 120.55 1jdj h ALA 208 Ca -0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 54.91 53.89 1jdj h ALA 208 Cb 0.21 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1jdj h ALA 208 CO 0.01 0.54 -0.01 0.28 0.00 0.00 0.00 179.25 180.08 1jdj h VAL 209 N -1.00 1.13 -0.49 0.00 2.07 -1.05 -2.84 116.25 114.06 1jdj h VAL 209 Ca -0.25 -0.49 0.09 0.00 0.82 0.00 0.00 66.70 66.88 1jdj h VAL 209 Cb 1.14 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1jdj h VAL 209 CO -0.15 0.16 0.33 0.07 0.02 0.00 0.00 177.57 178.01 1jdj h LYS 210 N 0.26 0.27 -0.11 1.57 2.10 -1.38 -1.32 116.57 117.97 1jdj h LYS 210 Ca 0.06 -0.02 -0.14 0.00 -2.00 0.00 0.00 60.65 58.55 1jdj h LYS 210 Cb 0.20 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.46 1jdj h LYS 210 CO 0.00 0.18 -0.55 -0.91 -2.00 0.00 0.00 179.45 176.17 1jdj h ASN 211 N 0.28 0.37 -0.09 7.07 2.35 -1.71 0.03 115.58 123.87 1jdj h ASN 211 Ca 0.22 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 1jdj h ASN 211 Cb 0.53 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.79 1jdj h ASN 211 CO -0.05 0.84 -0.15 0.58 -1.65 0.00 0.00 177.43 177.01 1jdj h VAL 212 N 0.25 1.39 -0.36 2.81 2.07 -1.40 -3.09 116.25 117.94 1jdj h VAL 212 Ca 0.00 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 1jdj h VAL 212 Cb 1.05 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 1jdj h VAL 212 CO 0.09 0.40 0.16 -0.07 0.02 0.00 0.00 177.57 178.18 1jdj h LEU 213 N -0.19 0.44 -1.67 2.57 3.38 -1.18 -1.51 115.31 117.15 1jdj h LEU 213 Ca 0.01 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1jdj h LEU 213 Cb 0.72 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1jdj h LEU 213 CO 0.03 0.38 -0.08 0.00 0.09 0.00 0.00 178.44 178.87 1jdj h ALA 214 N 1.69 1.73 -0.25 1.53 0.00 -0.92 0.05 119.26 123.08 1jdj h ALA 214 Ca 0.13 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1jdj h ALA 214 Cb 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1jdj h ALA 214 CO -0.02 0.20 -0.43 0.82 0.00 0.00 0.00 179.25 179.83 1jdj h ILE 215 N 0.10 1.30 -0.34 0.00 2.04 -1.20 -1.78 117.51 117.64 1jdj h ILE 215 Ca 0.02 -1.61 -0.07 0.00 1.00 0.00 0.00 64.86 64.20 1jdj h ILE 215 Cb 0.22 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1jdj h ILE 215 CO 0.01 0.51 -0.09 1.23 0.00 0.00 0.00 178.15 179.81 1jdj h GLY 216 N 1.01 0.61 1.04 5.37 0.00 -0.90 0.13 103.07 110.33 1jdj h GLY 216 Ca 0.04 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 1jdj h GLY 216 CO 0.09 0.39 0.29 0.23 0.00 0.00 0.00 176.54 177.53 1jdj h SER 217 N 0.53 1.04 -0.35 0.19 0.87 -0.65 -0.95 113.55 114.23 1jdj h SER 217 Ca 0.10 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 1jdj h SER 217 Cb 0.48 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1jdj h SER 217 CO 0.03 0.94 0.13 1.23 -0.53 0.00 0.00 176.83 178.63 1jdj h GLY 218 N 1.08 0.57 0.45 5.77 0.00 -0.45 -2.44 103.07 108.05 1jdj h GLY 218 Ca 0.25 -0.31 0.06 0.00 0.00 0.00 0.00 47.33 47.32 1jdj h GLY 218 CO -0.02 0.30 -0.03 -2.08 0.00 0.00 0.00 176.54 174.71 1jdj h VAL 219 N 0.42 0.74 -0.74 4.60 2.07 -0.55 0.58 116.25 123.37 1jdj h VAL 219 Ca 0.12 -0.02 0.10 0.00 0.82 0.00 0.00 66.70 67.72 1jdj h VAL 219 Cb 0.20 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 1jdj h VAL 219 CO -0.01 0.01 0.37 0.00 0.02 0.00 0.00 177.57 177.96 1jdj h ALA 220 N 1.29 1.04 -0.03 1.67 0.00 -1.00 0.13 119.26 122.37 1jdj h ALA 220 Ca 0.15 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jdj h ALA 220 Cb 0.22 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1jdj h ALA 220 CO -0.28 -0.05 -0.00 -0.97 0.00 0.00 0.00 179.25 177.95 1jdj h ASN 221 N 0.61 0.05 0.39 0.00 -0.73 -0.83 -1.16 115.58 113.91 1jdj h ASN 221 Ca 0.37 -0.33 0.00 0.00 1.87 0.00 0.00 56.30 58.22 1jdj h ASN 221 Cb 0.42 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.00 1jdj h ASN 221 CO -0.29 0.37 0.00 1.23 -0.37 0.00 0.00 177.43 178.37 1jdj h GLY 222 N -0.27 0.00 0.36 1.57 0.00 -0.39 -1.35 103.07 102.99 1jdj h GLY 222 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1jdj h GLY 222 CO 0.00 0.00 -0.20 -0.10 0.00 0.00 0.00 176.54 176.24 1jdj n LEU 223 N -2.34 0.92 0.00 3.11 7.94 0.41 -3.80 117.00 123.24 1jdj n LEU 223 Ca 0.00 -0.21 0.00 0.00 -1.11 0.00 0.00 56.01 54.69 1jdj n LEU 223 Cb 0.14 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 43.96 1jdj n LEU 223 CO 0.16 0.17 0.00 0.61 -1.11 0.00 0.00 177.39 177.22 1jdj n GLY 224 N 1.31 0.34 3.81 -3.96 0.00 -0.51 -5.06 105.19 101.13 1jdj n GLY 224 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1jdj n GLY 224 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jdj s MET 225 N -0.98 2.13 0.00 1.61 -1.94 -0.47 -5.02 119.30 114.63 1jdj s MET 225 Ca 0.00 0.62 0.00 0.00 -1.71 0.00 0.00 55.69 54.60 1jdj s MET 225 Cb 0.00 -1.92 0.00 0.00 2.01 0.00 0.00 34.83 34.92 1jdj s MET 225 CO 0.00 -1.59 0.00 0.41 -0.01 0.00 0.00 175.02 173.83 1jdj n GLY 226 N -2.16 3.83 0.22 -0.03 0.00 -1.26 -4.47 105.19 101.31 1jdj n GLY 226 Ca 0.07 -1.84 0.11 0.00 0.00 0.00 0.00 46.02 44.37 1jdj n GLY 226 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jdj h LEU 227 N 0.00 0.00 -0.33 0.99 3.38 -1.99 -3.00 115.31 114.35 1jdj h LEU 227 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1jdj h LEU 227 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1jdj h LEU 227 CO 0.00 0.11 -0.17 0.78 0.09 0.00 0.00 178.44 179.25 1jdj h ASN 228 N 0.00 0.73 -0.69 -0.43 2.35 -1.99 -1.89 115.58 113.65 1jdj h ASN 228 Ca -0.00 -0.41 -0.02 0.00 -0.55 0.00 0.00 56.30 55.32 1jdj h ASN 228 Cb 0.92 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.05 1jdj h ASN 228 CO 0.01 0.98 0.35 0.00 -1.65 0.00 0.00 177.43 177.11 1jdj h ALA 229 N 0.77 0.88 -0.69 -0.83 0.00 -1.94 -1.58 119.26 115.88 1jdj h ALA 229 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1jdj h ALA 229 Cb 0.70 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1jdj h ALA 229 CO 0.05 0.43 0.33 -0.09 0.00 0.00 0.00 179.25 179.97 1jdj h ARG 230 N 0.95 1.00 -0.76 0.00 2.43 -1.42 -0.55 114.38 116.03 1jdj h ARG 230 Ca 0.24 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1jdj h ARG 230 Cb 0.09 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1jdj h ARG 230 CO -0.03 0.79 0.28 0.00 -1.51 0.00 0.00 179.97 179.50 1jdj h ALA 231 N 1.15 1.06 -0.48 2.80 0.00 -0.96 -1.82 119.26 121.02 1jdj h ALA 231 Ca 0.24 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1jdj h ALA 231 Cb 0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1jdj h ALA 231 CO -0.03 0.65 -0.22 0.00 0.00 0.00 0.00 179.25 179.66 1jdj h ALA 232 N 1.19 0.71 -0.86 0.00 0.00 -0.88 -2.00 119.26 117.42 1jdj h ALA 232 Ca 0.25 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1jdj h ALA 232 Cb 0.24 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1jdj h ALA 232 CO -0.02 0.67 0.42 1.25 0.00 0.00 0.00 179.25 181.57 1jdj h LEU 233 N 0.85 1.12 -0.21 0.00 6.46 -0.83 0.37 115.31 123.07 1jdj h LEU 233 Ca 0.11 -0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 1jdj h LEU 233 Cb 0.79 -0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1jdj h LEU 233 CO 0.07 0.94 0.04 0.40 -0.62 0.00 0.00 178.44 179.26 1jdj h ILE 234 N 1.22 1.22 -0.27 4.05 2.04 -1.21 0.28 117.51 124.84 1jdj h ILE 234 Ca 0.29 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 1jdj h ILE 234 Cb 0.11 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1jdj h ILE 234 CO -0.04 0.23 0.01 -0.03 0.00 0.00 0.00 178.15 178.32 1jdj h MET 235 N 0.15 0.48 -0.00 2.37 4.05 -1.14 -1.08 114.93 119.76 1jdj h MET 235 Ca 0.07 -0.15 -0.18 0.00 -0.28 0.00 0.00 59.70 59.16 1jdj h MET 235 Cb 0.31 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 1jdj h MET 235 CO 0.00 0.63 -0.81 0.00 0.23 0.00 0.00 176.91 176.97 1jdj h ARG 236 N 0.27 0.10 -0.46 0.39 2.47 -0.95 -3.19 114.38 113.02 1jdj h ARG 236 Ca 0.08 -0.11 -0.10 0.00 -1.26 0.00 0.00 59.98 58.59 1jdj h ARG 236 Cb 0.41 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 1jdj h ARG 236 CO 0.01 0.85 -0.12 0.78 0.56 0.00 0.00 179.97 182.06 1jdj h GLY 237 N 2.05 0.90 1.31 0.04 0.00 -0.34 -2.71 103.07 104.32 1jdj h GLY 237 Ca -0.02 -0.70 0.08 0.00 0.00 0.00 0.00 47.33 46.69 1jdj h GLY 237 CO 0.12 0.64 0.28 -2.00 0.00 0.00 0.00 176.54 175.58 1jdj h LEU 238 N 0.75 0.17 -1.33 3.11 5.85 -1.18 0.23 115.31 122.92 1jdj h LEU 238 Ca 0.12 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1jdj h LEU 238 Cb 0.62 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1jdj h LEU 238 CO 0.04 0.11 -0.31 -0.07 -0.34 0.00 0.00 178.44 177.87 1jdj h LEU 239 N 0.19 0.00 -0.36 2.25 3.38 -1.56 -0.69 115.31 118.52 1jdj h LEU 239 Ca 0.19 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.97 1jdj h LEU 239 Cb 0.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1jdj h LEU 239 CO -0.03 0.31 -0.70 -0.33 0.09 0.00 0.00 178.44 177.79 1jdj h GLU 240 N 0.00 0.56 -0.44 1.13 5.08 -1.01 -0.72 114.58 119.18 1jdj h GLU 240 Ca -0.00 -0.43 -0.05 0.00 -1.00 0.00 0.00 59.36 57.88 1jdj h GLU 240 Cb 0.65 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1jdj h GLU 240 CO 0.04 1.05 0.09 0.82 -1.00 0.00 0.00 179.01 180.01 1jdj h ILE 241 N 0.39 1.24 0.28 3.13 2.04 -1.16 -1.70 117.51 121.72 1jdj h ILE 241 Ca -0.03 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 1jdj h ILE 241 Cb 1.28 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1jdj h ILE 241 CO 0.13 0.30 -0.18 -0.09 0.00 0.00 0.00 178.15 178.31 1jdj h ARG 242 N 0.58 -0.43 -0.67 2.37 2.43 -0.97 -0.93 114.38 116.76 1jdj h ARG 242 Ca 0.13 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1jdj h ARG 242 Cb 0.35 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 1jdj h ARG 242 CO 0.00 -0.29 0.43 -0.44 -1.51 0.00 0.00 179.97 178.17 1jdj h ASP 243 N -0.44 0.74 -0.47 -3.80 3.32 -1.05 -1.12 116.42 113.60 1jdj h ASP 243 Ca -0.03 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 1jdj h ASP 243 Cb 0.37 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1jdj h ASP 243 CO 0.02 0.53 -0.05 0.25 -1.72 0.00 0.00 179.24 178.27 1jdj h LEU 244 N 0.87 0.90 -0.74 1.55 5.85 -1.24 -2.32 115.31 120.18 1jdj h LEU 244 Ca 0.25 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1jdj h LEU 244 Cb -0.06 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 1jdj h LEU 244 CO -0.07 0.99 0.48 0.74 -0.34 0.00 0.00 178.44 180.24 1jdj h THR 245 N 0.83 1.17 -0.23 1.05 2.02 -0.49 -1.96 112.91 115.31 1jdj h THR 245 Ca 0.15 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1jdj h THR 245 Cb 0.56 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1jdj h THR 245 CO 0.03 0.18 0.13 0.00 0.37 0.00 0.00 175.52 176.23 1jdj h ALA 246 N 1.28 0.29 0.00 6.16 0.00 -0.94 -0.35 119.26 125.71 1jdj h ALA 246 Ca 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1jdj h ALA 246 Cb -0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1jdj h ALA 246 CO -0.07 -0.19 -0.06 0.00 0.00 0.00 0.00 179.25 178.93 1jdj h ALA 247 N 1.03 1.40 -0.19 0.00 0.00 -1.09 -0.97 119.26 119.45 1jdj h ALA 247 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jdj h ALA 247 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1jdj h ALA 247 CO -0.01 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.59 1jdj n LEU 248 N -3.74 1.84 0.00 0.00 4.77 -0.77 -4.92 117.00 114.18 1jdj n LEU 248 Ca -0.02 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 1jdj n LEU 248 Cb 0.16 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1jdj n LEU 248 CO 0.29 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1jdj n GLY 249 N 1.16 0.70 3.78 -0.72 0.00 -0.37 -5.05 105.19 104.70 1jdj n GLY 249 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1jdj n GLY 249 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jdj s GLY 250 N -1.92 2.31 0.23 -0.02 0.00 -0.18 -4.94 107.32 102.80 1jdj s GLY 250 Ca 0.00 0.59 0.26 0.00 0.00 0.00 0.00 44.72 45.57 1jdj s GLY 250 CO 0.00 0.93 1.76 1.29 0.00 0.00 0.00 173.10 177.09 1jdj h ASP 251 N 0.59 0.00 0.00 1.64 -0.00 -1.93 -3.40 116.42 113.32 1jdj h ASP 251 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.55 1jdj h ASP 251 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.57 1jdj h ASP 251 CO 0.56 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 180.41 1jdj n GLY 252 N 1.16 1.29 0.20 7.15 0.00 -1.26 -4.90 105.19 108.84 1jdj n GLY 252 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 1jdj n GLY 252 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jdj h SER 253 N 0.00 0.00 1.02 1.61 4.64 -1.93 -2.01 113.55 116.88 1jdj h SER 253 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jdj h SER 253 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1jdj h SER 253 CO 0.00 0.00 -0.87 0.00 -0.87 0.00 0.00 176.83 175.09 1jdj h ALA 254 N 2.05 0.54 -0.56 5.18 0.00 -1.90 -3.40 119.26 121.16 1jdj h ALA 254 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.02 1jdj h ALA 254 Cb 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.78 1jdj h ALA 254 CO 0.00 0.00 -0.10 0.28 0.00 0.00 0.00 179.25 179.43 1jdj h VAL 255 N 0.00 0.46 -0.54 0.00 2.07 -1.68 -0.89 116.25 115.67 1jdj h VAL 255 Ca 0.00 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 1jdj h VAL 255 Cb 0.94 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1jdj h VAL 255 CO 0.00 0.00 0.06 0.49 0.02 0.00 0.00 177.57 178.15 1jdj n PHE 256 N -5.36 1.92 -2.72 1.57 3.01 -1.26 -1.54 117.46 113.07 1jdj n PHE 256 Ca 0.06 -0.74 0.00 0.00 1.01 0.00 0.00 57.45 57.78 1jdj n PHE 256 Cb 0.30 -0.51 0.00 0.00 -0.01 0.00 0.00 39.48 39.27 1jdj n PHE 256 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jdj n GLY 257 N 0.39 4.72 0.19 1.37 0.00 -0.37 -4.72 105.19 106.77 1jdj n GLY 257 Ca 0.27 -2.06 -0.03 0.00 0.00 0.00 0.00 46.02 44.20 1jdj n GLY 257 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jdj h LEU 258 N 0.00 0.13 -1.16 0.99 3.38 -1.92 -2.04 115.31 114.69 1jdj h LEU 258 Ca 0.00 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1jdj h LEU 258 Cb 0.00 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1jdj h LEU 258 CO 0.00 0.10 -0.37 0.00 0.09 0.00 0.00 178.44 178.26 1jdj h ALA 259 N 1.33 1.16 -3.00 1.53 0.00 -1.76 0.15 119.26 118.67 1jdj h ALA 259 Ca 0.23 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jdj h ALA 259 Cb 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1jdj h ALA 259 CO -0.25 0.46 0.00 0.41 0.00 0.00 0.00 179.25 179.87 1jdj n GLY 260 N -0.13 1.15 0.31 0.00 0.00 -0.84 -4.33 105.19 101.36 1jdj n GLY 260 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1jdj n GLY 260 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1jdj h LEU 261 N 0.00 0.50 0.62 0.99 8.10 -0.92 -0.88 115.31 123.72 1jdj h LEU 261 Ca 0.00 -0.02 -0.02 0.00 0.11 0.00 0.00 57.88 57.95 1jdj h LEU 261 Cb 0.00 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.08 1jdj h LEU 261 CO 0.00 0.37 -0.45 1.23 -4.11 0.00 0.00 178.44 175.48 1jdj h GLY 262 N 0.60 -1.17 1.61 0.17 0.00 -1.37 -0.58 103.07 102.33 1jdj h GLY 262 Ca 0.16 0.50 -0.10 0.00 0.00 0.00 0.00 47.33 47.89 1jdj h GLY 262 CO -0.03 -0.39 -0.29 -1.80 0.00 0.00 0.00 176.54 174.03 1jdj h ASP 263 N -1.03 0.45 -0.06 0.19 -0.00 -0.59 -2.90 116.42 112.49 1jdj h ASP 263 Ca -0.08 -0.16 -0.00 0.00 -0.00 0.00 0.00 57.03 56.79 1jdj h ASP 263 Cb 0.85 -0.12 -0.00 0.00 -0.00 0.00 0.00 39.33 40.06 1jdj h ASP 263 CO 0.04 0.73 0.02 0.25 -0.00 0.00 0.00 179.24 180.28 1jdj h LEU 264 N 0.39 0.09 -1.08 2.28 5.85 -0.98 0.15 115.31 122.01 1jdj h LEU 264 Ca 0.05 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 1jdj h LEU 264 Cb 0.71 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1jdj h LEU 264 CO 0.05 0.25 -0.03 0.06 -0.34 0.00 0.00 178.44 178.43 1jdj h GLN 265 N -0.08 0.62 0.04 1.25 -0.00 -1.11 -0.43 115.11 115.40 1jdj h GLN 265 Ca 0.02 -0.16 -0.00 0.00 -0.00 0.00 0.00 58.65 58.51 1jdj h GLN 265 Cb 0.19 -0.08 0.00 0.00 -0.00 0.00 0.00 27.48 27.59 1jdj h GLN 265 CO -0.00 0.66 -0.02 1.25 -0.00 0.00 0.00 178.83 180.72 1jdj h LEU 266 N 0.58 -0.04 -1.40 0.06 5.85 -1.36 -2.47 115.31 116.52 1jdj h LEU 266 Ca 0.12 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 1jdj h LEU 266 Cb 0.41 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1jdj h LEU 266 CO 0.02 0.27 0.07 0.74 -0.34 0.00 0.00 178.44 179.20 1jdj h THR 267 N -0.37 1.16 0.00 1.05 2.02 -0.71 -1.92 112.91 114.14 1jdj h THR 267 Ca -0.01 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1jdj h THR 267 Cb 0.34 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1jdj h THR 267 CO 0.01 0.20 -0.03 0.00 0.37 0.00 0.00 175.52 176.07 1jdj n SER 269 N -1.82 3.27 -4.46 0.00 7.64 -0.74 -4.78 113.62 112.73 1jdj n SER 269 Ca 0.06 -1.96 -0.44 0.00 1.01 0.00 0.00 58.87 57.55 1jdj n SER 269 Cb 0.38 -0.30 -0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1jdj n SER 269 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1jdj s SER 270 N -1.07 7.00 0.59 6.43 0.15 -1.09 -4.86 113.70 120.86 1jdj s SER 270 Ca 0.33 -2.84 0.29 0.00 0.70 0.00 0.00 55.95 54.44 1jdj s SER 270 Cb 0.18 -2.40 1.69 0.00 -1.71 0.00 0.00 66.02 63.78 1jdj s SER 270 CO 0.24 -0.79 2.11 -0.33 1.20 0.00 0.00 173.24 175.66 1jdj h GLU 271 N 7.44 0.00 -0.01 5.44 5.08 -1.90 -1.34 114.58 129.29 1jdj h GLU 271 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1jdj h GLU 271 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1jdj h GLU 271 CO 1.22 0.00 -0.23 1.28 -1.00 0.00 0.00 179.01 180.28 1jdj n LEU 272 N -3.74 1.31 -4.76 1.33 4.77 -1.26 -4.37 117.00 110.28 1jdj n LEU 272 Ca 0.01 -0.40 -0.33 0.00 -0.03 0.00 0.00 56.01 55.27 1jdj n LEU 272 Cb 0.31 -0.08 0.06 0.00 -2.33 0.00 0.00 43.42 41.38 1jdj n LEU 272 CO 0.27 0.24 0.74 -0.94 -1.33 0.00 0.00 177.39 176.36 1jdj s SER 273 N -2.39 4.89 0.32 -1.43 1.04 -0.51 -4.85 113.70 110.78 1jdj s SER 273 Ca 0.26 2.00 0.04 0.00 0.48 0.00 0.00 55.95 58.73 1jdj s SER 273 Cb 0.19 -2.55 0.54 0.00 0.10 0.00 0.00 66.02 64.31 1jdj s SER 273 CO 0.48 -1.77 1.81 -0.09 0.98 0.00 0.00 173.24 174.65 1jdj h ARG 274 N -0.23 0.47 -0.32 4.02 2.43 -1.91 -1.41 114.38 117.43 1jdj h ARG 274 Ca -0.46 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 58.57 1jdj h ARG 274 Cb 1.25 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1jdj h ARG 274 CO 0.53 0.59 0.17 -0.91 -1.51 0.00 0.00 179.97 178.85 1jdj h ASN 275 N 0.44 0.40 -0.05 -3.80 2.35 -1.92 -0.76 115.58 112.23 1jdj h ASN 275 Ca 0.08 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1jdj h ASN 275 Cb 0.48 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 1jdj h ASN 275 CO 0.03 0.37 0.02 0.15 -1.65 0.00 0.00 177.43 176.35 1jdj h PHE 276 N 0.39 0.07 -0.64 1.19 3.57 -1.62 -1.53 116.94 118.38 1jdj h PHE 276 Ca 0.11 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1jdj h PHE 276 Cb 0.06 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1jdj h PHE 276 CO -0.03 0.20 0.40 1.79 -2.23 0.00 0.00 178.31 178.44 1jdj h THR 277 N -0.07 1.18 -0.51 4.41 1.35 -1.18 0.25 112.91 118.33 1jdj h THR 277 Ca 0.02 -0.37 -0.01 0.00 -0.55 0.00 0.00 66.41 65.49 1jdj h THR 277 Cb 0.15 0.28 -0.02 0.00 -1.73 0.00 0.00 68.15 66.82 1jdj h THR 277 CO -0.00 0.18 0.27 0.58 -0.25 0.00 0.00 175.52 176.30 1jdj h VAL 278 N 0.87 1.18 -0.82 6.82 2.07 -1.08 -1.19 116.25 124.09 1jdj h VAL 278 Ca 0.23 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1jdj h VAL 278 Cb -0.05 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1jdj h VAL 278 CO -0.05 0.20 0.35 1.23 0.02 0.00 0.00 177.57 179.31 1jdj h GLY 279 N 0.69 1.30 0.97 2.17 0.00 -0.58 -1.66 103.07 105.95 1jdj h GLY 279 Ca 0.18 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1jdj h GLY 279 CO -0.03 0.65 0.23 1.70 0.00 0.00 0.00 176.54 179.10 1jdj h LYS 280 N 1.19 0.65 -0.34 4.80 3.64 -0.13 0.21 116.57 126.58 1jdj h LYS 280 Ca 0.28 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 1jdj h LYS 280 Cb 0.19 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1jdj h LYS 280 CO -0.03 0.53 -0.05 0.87 -2.27 0.00 0.00 179.45 178.51 1jdj h LYS 281 N 0.59 0.55 -0.39 1.90 1.57 -1.00 -1.18 116.57 118.61 1jdj h LYS 281 Ca 0.16 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 1jdj h LYS 281 Cb 0.09 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1jdj h LYS 281 CO -0.02 0.62 -0.28 -0.07 -0.57 0.00 0.00 179.45 179.12 1jdj h LEU 282 N 0.52 0.86 -1.52 2.94 3.38 -0.83 -1.19 115.31 119.47 1jdj h LEU 282 Ca 0.10 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1jdj h LEU 282 Cb 0.42 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1jdj h LEU 282 CO 0.02 1.09 -0.15 1.23 0.09 0.00 0.00 178.44 180.72 1jdj h GLY 283 N 0.92 0.00 -0.70 0.83 0.00 -0.35 -2.16 103.07 101.62 1jdj h GLY 283 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1jdj h GLY 283 CO 0.07 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.89 1jdj n LYS 284 N -3.42 1.68 -0.27 4.80 5.02 -0.50 -4.10 118.16 121.37 1jdj n LYS 284 Ca -0.01 -1.02 0.00 0.00 -2.02 0.00 0.00 58.31 55.27 1jdj n LYS 284 Cb 0.33 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1jdj n LYS 284 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jdj n GLY 285 N 1.11 0.66 3.73 0.72 0.00 -0.81 -5.06 105.19 105.54 1jdj n GLY 285 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1jdj n GLY 285 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jdj s LEU 286 N 0.00 4.46 0.47 0.99 1.43 -0.49 -5.01 118.68 120.52 1jdj s LEU 286 Ca 0.00 1.97 -0.23 0.00 -1.03 0.00 0.00 54.13 54.84 1jdj s LEU 286 Cb 0.00 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.55 1jdj s LEU 286 CO 0.00 -0.23 1.16 -2.16 0.23 0.00 0.00 176.35 175.34 1jdj s PRO 287 N 0.09 3.72 0.29 1.29 0.04 -1.26 -4.32 135.00 134.85 1jdj s PRO 287 Ca 0.51 1.74 0.02 0.00 0.04 0.00 0.00 61.00 63.31 1jdj s PRO 287 Cb -0.27 -2.36 0.60 0.00 0.04 0.00 0.00 34.50 32.50 1jdj s PRO 287 CO 0.32 -0.57 1.82 0.97 0.04 0.00 0.00 177.00 179.58 1jdj h ILE 288 N 1.80 0.87 -0.24 0.56 6.09 -1.90 -2.06 117.51 122.63 1jdj h ILE 288 Ca -0.49 -0.32 0.06 0.00 -1.37 0.00 0.00 64.86 62.73 1jdj h ILE 288 Cb 1.25 -0.15 -0.06 0.00 0.47 0.00 0.00 36.82 38.32 1jdj h ILE 288 CO 0.60 0.17 -0.17 -0.33 -3.07 0.00 0.00 178.15 175.35 1jdj h GLU 289 N 0.94 -0.15 -0.68 2.19 3.07 -1.94 -0.31 114.58 117.70 1jdj h GLU 289 Ca 0.52 0.01 0.03 0.00 -0.50 0.00 0.00 59.36 59.41 1jdj h GLU 289 Cb 0.59 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.49 1jdj h GLU 289 CO -0.30 -0.10 0.43 1.49 -1.40 0.00 0.00 179.01 179.13 1jdj h GLU 290 N -0.16 0.82 -0.46 2.33 4.57 -1.77 -2.83 114.58 117.09 1jdj h GLU 290 Ca 0.13 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1jdj h GLU 290 Cb 0.36 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 1jdj h GLU 290 CO -0.33 0.54 0.22 0.82 -1.18 0.00 0.00 179.01 179.07 1jdj h ILE 291 N 0.84 1.19 -0.98 2.32 2.04 -0.97 -3.41 117.51 118.54 1jdj h ILE 291 Ca 0.27 -0.53 -0.31 0.00 1.00 0.00 0.00 64.86 65.29 1jdj h ILE 291 Cb 0.00 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1jdj h ILE 291 CO -0.10 0.20 1.13 0.00 0.00 0.00 0.00 178.15 179.39 1jdj n GLN 292 N -4.64 0.74 0.00 2.37 6.02 -0.19 -4.46 117.38 117.22 1jdj n GLN 292 Ca 0.01 -0.29 0.00 0.00 -0.01 0.00 0.00 57.00 56.71 1jdj n GLN 292 Cb 0.12 -3.25 0.00 0.00 1.02 0.00 0.00 30.24 28.12 1jdj n GLN 292 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1jdj n ARG 293 N 8.73 2.02 -3.15 -1.09 3.00 -1.26 -4.99 116.66 119.92 1jdj n ARG 293 Ca 0.44 -0.02 0.05 0.00 -0.01 0.00 0.00 57.85 58.31 1jdj n ARG 293 Cb 0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 32.46 32.66 1jdj n ARG 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1jdj s ALA 297 N -0.30 -3.10 -0.71 7.54 0.00 -1.26 -5.17 121.76 118.77 1jdj s ALA 297 Ca 0.00 1.55 -0.24 0.00 0.00 0.00 0.00 51.96 53.26 1jdj s ALA 297 Cb 0.00 -2.41 0.06 0.00 0.00 0.00 0.00 23.12 20.76 1jdj s ALA 297 CO 0.00 -1.44 1.11 0.08 0.00 0.00 0.00 175.76 175.51 1jdj s VAL 298 N 2.92 4.08 0.23 0.00 1.01 -1.26 -5.01 120.40 122.37 1jdj s VAL 298 Ca 0.06 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 1jdj s VAL 298 Cb -0.11 -4.79 -0.09 0.00 0.00 0.00 0.00 36.38 31.39 1jdj s VAL 298 CO -0.14 -1.63 1.00 0.00 0.00 0.00 0.00 175.10 174.32 1jdj s ALA 299 N 4.73 3.35 0.37 5.51 0.00 -1.26 -4.93 121.76 129.53 1jdj s ALA 299 Ca 0.28 0.70 0.10 0.00 0.00 0.00 0.00 51.96 53.04 1jdj s ALA 299 Cb -0.13 -3.26 0.85 0.00 0.00 0.00 0.00 23.12 20.58 1jdj s ALA 299 CO 0.11 0.04 1.89 0.93 0.00 0.00 0.00 175.76 178.73 1jdj h GLU 300 N 4.35 0.63 -1.01 0.00 4.39 -1.94 -1.50 114.58 119.51 1jdj h GLU 300 Ca -0.45 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.25 1jdj h GLU 300 Cb 1.21 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.65 1jdj h GLU 300 CO 0.69 0.42 0.66 0.78 -1.16 0.00 0.00 179.01 180.40 1jdj h GLY 301 N 0.65 1.47 0.74 -3.84 0.00 -1.92 -0.24 103.07 99.93 1jdj h GLY 301 Ca 0.42 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1jdj h GLY 301 CO -0.18 0.43 0.00 -2.08 0.00 0.00 0.00 176.54 174.71 1jdj h VAL 302 N 1.28 1.22 -0.20 4.60 2.07 -1.57 -1.70 116.25 121.94 1jdj h VAL 302 Ca 0.40 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1jdj h VAL 302 Cb 0.00 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1jdj h VAL 302 CO -0.13 0.17 -0.10 0.00 0.02 0.00 0.00 177.57 177.53 1jdj h ALA 303 N 0.74 1.46 0.00 1.67 0.00 -1.38 -3.08 119.26 118.67 1jdj h ALA 303 Ca 0.01 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 1jdj h ALA 303 Cb 0.28 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1jdj h ALA 303 CO 0.00 0.38 -0.90 1.15 0.00 0.00 0.00 179.25 179.88 1jdj h THR 304 N 0.30 1.53 -0.99 0.00 2.02 -0.95 -3.37 112.91 111.45 1jdj h THR 304 Ca 0.06 -3.16 0.11 0.00 0.77 0.00 0.00 66.41 64.19 1jdj h THR 304 Cb 0.37 2.75 -0.08 0.00 -1.74 0.00 0.00 68.15 69.46 1jdj h THR 304 CO 0.02 0.87 0.63 0.00 0.37 0.00 0.00 175.52 177.41 1jdj h ALA 305 N 1.11 1.53 0.42 6.16 0.00 -1.21 -1.12 119.26 126.15 1jdj h ALA 305 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1jdj h ALA 305 Cb 1.69 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1jdj h ALA 305 CO 0.12 0.25 -0.20 0.22 0.00 0.00 0.00 179.25 179.63 1jdj h ASP 306 N 1.01 -0.48 0.02 0.00 3.58 -1.73 -2.04 116.42 116.78 1jdj h ASP 306 Ca 0.48 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.82 1jdj h ASP 306 Cb 0.44 0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.61 1jdj h ASP 306 CO -0.24 -0.06 -0.03 1.55 -2.88 0.00 0.00 179.24 177.58 1jdj h PRO 307 N -1.02 0.04 -0.27 0.28 0.13 -1.75 -1.12 132.00 128.28 1jdj h PRO 307 Ca -0.06 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 1jdj h PRO 307 Cb 0.54 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1jdj h PRO 307 CO 0.10 0.07 0.08 1.25 -0.23 0.00 0.00 178.00 179.26 1jdj h LEU 308 N 0.04 0.40 -0.74 1.56 5.85 -1.20 0.02 115.31 121.23 1jdj h LEU 308 Ca 0.01 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 1jdj h LEU 308 Cb 0.08 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1jdj h LEU 308 CO 0.00 0.51 0.36 -0.03 -0.34 0.00 0.00 178.44 178.94 1jdj h MET 309 N 0.27 1.06 -0.39 1.25 4.05 -0.65 0.40 114.93 120.90 1jdj h MET 309 Ca 0.09 -0.15 -0.10 0.00 -0.28 0.00 0.00 59.70 59.25 1jdj h MET 309 Cb 0.26 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 1jdj h MET 309 CO -0.00 0.82 -0.18 0.00 0.23 0.00 0.00 176.91 177.78 1jdj h ARG 310 N 1.03 0.75 -0.34 0.39 3.08 -1.01 -0.63 114.38 117.65 1jdj h ARG 310 Ca 0.25 -0.28 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 1jdj h ARG 310 Cb 0.11 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1jdj h ARG 310 CO -0.03 0.88 -0.27 1.25 -1.07 0.00 0.00 179.97 180.72 1jdj h LEU 311 N 0.66 0.82 -0.31 3.04 5.85 -0.67 -1.41 115.31 123.30 1jdj h LEU 311 Ca 0.10 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1jdj h LEU 311 Cb 0.67 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1jdj h LEU 311 CO 0.05 1.10 0.20 0.00 -0.34 0.00 0.00 178.44 179.45 1jdj h ALA 312 N 0.75 0.39 -0.50 1.25 0.00 -0.69 -1.69 119.26 118.77 1jdj h ALA 312 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1jdj h ALA 312 Cb 0.84 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1jdj h ALA 312 CO 0.07 -0.14 0.24 -0.22 0.00 0.00 0.00 179.25 179.20 1jdj h LYS 313 N 0.42 0.71 -0.47 0.00 3.64 -1.07 0.12 116.57 119.92 1jdj h LYS 313 Ca 0.11 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1jdj h LYS 313 Cb -0.05 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 1jdj h LYS 313 CO -0.03 0.59 0.32 0.37 -2.27 0.00 0.00 179.45 178.44 1jdj h GLN 314 N 0.66 0.38 -0.08 1.90 4.15 -0.88 -1.78 115.11 119.45 1jdj h GLN 314 Ca 0.17 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1jdj h GLN 314 Cb 0.11 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.72 1jdj h GLN 314 CO -0.02 0.25 0.00 1.28 -1.93 0.00 0.00 178.83 178.41 1jdj n LEU 315 N -4.47 3.03 -3.07 -2.39 4.77 -0.67 -4.97 117.00 109.22 1jdj n LEU 315 Ca 0.06 -1.07 -0.19 0.00 -0.03 0.00 0.00 56.01 54.78 1jdj n LEU 315 Cb 0.26 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.38 1jdj n LEU 315 CO 0.35 0.53 0.19 0.29 -1.33 0.00 0.00 177.39 177.41 1jdj n LYS 316 N 1.34 -6.46 -3.74 3.23 4.76 0.15 -4.99 118.16 112.45 1jdj n LYS 316 Ca 0.14 0.69 -0.37 0.00 -2.87 0.00 0.00 58.31 55.91 1jdj n LYS 316 Cb 0.59 -5.32 -0.12 0.00 -1.84 0.00 0.00 35.03 28.34 1jdj n LYS 316 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1jdj s VAL 317 N -3.27 4.23 -0.02 -0.18 1.01 0.20 -5.02 120.40 117.34 1jdj s VAL 317 Ca 0.40 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 1jdj s VAL 317 Cb -0.18 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1jdj s VAL 317 CO 0.61 0.22 1.09 -0.54 0.00 0.00 0.00 175.10 176.48 1jdj s LYS 318 N 1.58 4.45 -0.48 2.72 1.02 -1.26 -4.58 119.74 123.19 1jdj s LYS 318 Ca 0.05 1.55 0.05 0.00 0.02 0.00 0.00 55.97 57.64 1jdj s LYS 318 Cb -0.16 -3.48 0.18 0.00 -0.52 0.00 0.00 37.83 33.86 1jdj s LYS 318 CO 0.03 -0.26 0.42 -1.33 -0.92 0.00 0.00 175.35 173.30 1jdj n MET 319 N 4.48 0.71 -0.35 1.68 2.81 -1.26 -4.93 117.12 120.27 1jdj n MET 319 Ca 0.08 -3.53 -0.10 0.00 -1.81 0.00 0.00 57.70 52.34 1jdj n MET 319 Cb 0.48 -1.77 -0.09 0.00 -0.71 0.00 0.00 33.22 31.13 1jdj n MET 319 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1jdj h PRO 320 N 5.29 -0.05 0.27 0.03 0.11 -1.98 0.35 132.00 136.02 1jdj h PRO 320 Ca 0.21 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 1jdj h PRO 320 Cb 0.86 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1jdj h PRO 320 CO 0.48 -0.03 -0.13 -0.07 -0.21 0.00 0.00 178.00 178.04 1jdj h LEU 321 N -0.05 -0.30 -1.55 2.35 3.38 -1.96 -1.82 115.31 115.36 1jdj h LEU 321 Ca 0.14 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1jdj h LEU 321 Cb 0.40 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1jdj h LEU 321 CO -0.82 -0.15 0.19 0.00 0.09 0.00 0.00 178.44 177.76 1jdj h HIS 323 N 0.50 0.60 -0.43 0.00 -0.00 -0.17 -1.31 115.15 114.35 1jdj h HIS 323 Ca 0.13 -0.14 -0.07 0.00 -0.00 0.00 0.00 60.37 60.29 1jdj h HIS 323 Cb 0.03 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.27 1jdj h HIS 323 CO 0.00 0.75 -0.01 1.96 -0.00 0.00 0.00 177.93 180.63 1jdj h GLN 324 N 0.28 0.71 -0.35 5.26 1.08 -0.79 -1.77 115.11 119.53 1jdj h GLN 324 Ca 0.07 -0.19 -0.10 0.00 -1.45 0.00 0.00 58.65 56.98 1jdj h GLN 324 Cb 0.57 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1jdj h GLN 324 CO 0.03 0.73 -0.18 0.82 -0.95 0.00 0.00 178.83 179.28 1jdj h ILE 325 N 0.67 1.26 -0.65 2.54 2.04 -0.87 -1.18 117.51 121.31 1jdj h ILE 325 Ca 0.13 -1.22 -0.06 0.00 1.00 0.00 0.00 64.86 64.71 1jdj h ILE 325 Cb 0.43 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1jdj h ILE 325 CO 0.02 0.40 0.17 0.22 0.00 0.00 0.00 178.15 178.96 1jdj h TYR 326 N 0.58 1.09 -0.40 1.37 3.20 -0.74 -1.46 116.97 120.60 1jdj h TYR 326 Ca 0.09 -0.13 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 1jdj h TYR 326 Cb 0.63 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1jdj h TYR 326 CO 0.03 0.90 0.15 0.93 -1.64 0.00 0.00 178.16 178.52 1jdj h GLU 327 N 0.97 0.61 -0.54 1.82 4.39 -0.88 0.33 114.58 121.27 1jdj h GLU 327 Ca 0.21 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1jdj h GLU 327 Cb 0.35 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1jdj h GLU 327 CO 0.00 0.59 0.28 0.82 -1.16 0.00 0.00 179.01 179.54 1jdj h ILE 328 N 0.50 1.19 0.01 3.13 2.04 -1.07 0.25 117.51 123.56 1jdj h ILE 328 Ca 0.13 -0.51 -0.16 0.00 1.00 0.00 0.00 64.86 65.33 1jdj h ILE 328 Cb 0.22 0.54 0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1jdj h ILE 328 CO -0.01 0.21 -0.61 0.58 0.00 0.00 0.00 178.15 178.32 1jdj h VAL 329 N 0.72 1.43 0.00 1.67 2.07 -1.12 -3.33 116.25 117.70 1jdj h VAL 329 Ca 0.19 -2.10 -0.15 0.00 0.82 0.00 0.00 66.70 65.45 1jdj h VAL 329 Cb 0.08 2.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 1jdj h VAL 329 CO -0.03 0.61 -2.16 -1.22 0.02 0.00 0.00 177.57 174.79 1jdj n TYR 330 N -4.21 0.00 -1.53 1.57 4.02 0.11 -4.58 117.16 112.54 1jdj n TYR 330 Ca -0.11 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.81 1jdj n TYR 330 Cb 0.68 -0.71 0.20 0.00 -0.02 0.00 0.00 39.34 39.50 1jdj n TYR 330 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1jdj n LYS 331 N -2.46 1.68 -3.42 -0.72 4.76 0.84 -4.97 118.16 113.87 1jdj n LYS 331 Ca -0.16 -3.24 -0.20 0.00 -2.87 0.00 0.00 58.31 51.83 1jdj n LYS 331 Cb 0.81 -1.69 -0.03 0.00 -1.84 0.00 0.00 35.03 32.28 1jdj n LYS 331 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1jdj n LYS 332 N -1.13 -2.15 -2.48 1.97 5.02 -1.08 -4.86 118.16 113.45 1jdj n LYS 332 Ca 0.24 0.13 -0.41 0.00 -2.02 0.00 0.00 58.31 56.26 1jdj n LYS 332 Cb 0.82 -4.70 -0.04 0.00 -0.02 0.00 0.00 35.03 31.09 1jdj n LYS 332 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1jdj s LYS 333 N -6.02 4.61 0.00 1.97 2.20 -0.98 -4.96 119.74 116.56 1jdj s LYS 333 Ca 0.38 1.77 -0.30 0.00 -0.36 0.00 0.00 55.97 57.46 1jdj s LYS 333 Cb -0.22 -3.23 -0.06 0.00 -1.51 0.00 0.00 37.83 32.80 1jdj s LYS 333 CO 0.47 0.13 1.60 1.21 -0.36 0.00 0.00 175.35 178.40 1jdj s ASN 334 N -0.47 6.68 0.29 1.43 3.84 -1.26 -4.43 114.94 121.03 1jdj s ASN 334 Ca 0.47 2.30 0.04 0.00 0.21 0.00 0.00 52.86 55.89 1jdj s ASN 334 Cb -0.31 -2.55 0.74 0.00 -0.55 0.00 0.00 41.25 38.58 1jdj s ASN 334 CO 0.38 -0.87 1.70 -0.65 -2.79 0.00 0.00 177.10 174.87 1jdj h PRO 335 N 8.75 0.42 -0.48 0.43 0.11 -1.93 0.32 132.00 139.61 1jdj h PRO 335 Ca -0.40 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.59 1jdj h PRO 335 Cb 1.19 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1jdj h PRO 335 CO 0.93 0.27 -0.09 -0.09 -0.21 0.00 0.00 178.00 178.82 1jdj h ARG 336 N 0.43 0.86 -0.34 1.05 2.43 -1.93 -1.07 114.38 115.81 1jdj h ARG 336 Ca 0.57 -0.29 -0.17 0.00 -0.81 0.00 0.00 59.98 59.28 1jdj h ARG 336 Cb 1.07 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1jdj h ARG 336 CO -0.52 0.92 -0.44 -0.44 -1.51 0.00 0.00 179.97 177.98 1jdj h ASP 337 N 0.78 0.97 -0.44 -3.80 3.45 -1.46 -2.20 116.42 113.72 1jdj h ASP 337 Ca 0.13 -0.47 0.02 0.00 0.43 0.00 0.00 57.03 57.14 1jdj h ASP 337 Cb 0.59 -0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 39.06 1jdj h ASP 337 CO 0.04 1.27 0.25 0.00 -1.57 0.00 0.00 179.24 179.23 1jdj h ALA 338 N 0.77 0.56 -0.18 3.45 0.00 -0.74 -0.26 119.26 122.86 1jdj h ALA 338 Ca 0.04 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1jdj h ALA 338 Cb 1.04 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1jdj h ALA 338 CO 0.10 -0.08 -0.01 1.25 0.00 0.00 0.00 179.25 180.52 1jdj h LEU 339 N 0.51 -0.09 -0.98 0.00 6.46 -1.07 -0.91 115.31 119.23 1jdj h LEU 339 Ca 0.18 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.97 1jdj h LEU 339 Cb 0.03 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 1jdj h LEU 339 CO -0.09 -0.02 0.53 0.00 -0.62 0.00 0.00 178.44 178.23 1jdj h ALA 340 N 1.16 1.23 -0.69 1.25 0.00 -0.93 -1.81 119.26 119.47 1jdj h ALA 340 Ca 0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1jdj h ALA 340 Cb 0.11 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1jdj h ALA 340 CO -0.15 0.65 0.32 -0.44 0.00 0.00 0.00 179.25 179.62 1jdj h ASP 341 N 1.25 0.92 -0.53 0.00 3.45 -0.57 -1.26 116.42 119.67 1jdj h ASP 341 Ca 0.32 -0.14 0.01 0.00 0.43 0.00 0.00 57.03 57.65 1jdj h ASP 341 Cb -0.03 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.48 1jdj h ASP 341 CO -0.06 0.80 0.35 -0.07 -1.57 0.00 0.00 179.24 178.70 1jdj h LEU 342 N 0.96 0.60 -1.26 1.55 3.38 -0.44 -2.38 115.31 117.72 1jdj h LEU 342 Ca 0.23 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1jdj h LEU 342 Cb 0.14 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1jdj h LEU 342 CO -0.03 0.44 0.00 0.18 0.09 0.00 0.00 178.44 179.12 1jdj n LEU 343 N -4.46 1.94 0.00 1.67 4.77 -0.75 -4.06 117.00 116.11 1jdj n LEU 343 Ca 0.05 -0.70 0.11 0.00 -0.03 0.00 0.00 56.01 55.44 1jdj n LEU 343 Cb 0.06 -0.04 0.52 0.00 -2.33 0.00 0.00 43.42 41.63 1jdj n LEU 343 CO 0.35 0.35 0.87 -1.54 -1.33 0.00 0.00 177.39 176.09 1jdj n SER 344 N 0.51 0.00 -0.08 -1.43 3.41 -0.53 -3.47 113.62 112.03 1jdj n SER 344 Ca 0.18 0.36 0.05 0.00 -0.26 0.00 0.00 58.87 59.19 1jdj n SER 344 Cb 0.41 -0.44 0.40 0.00 -0.26 0.00 0.00 64.21 64.31 1jdj n SER 344 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jdj n GLY 346 N -1.47 0.44 3.72 0.00 0.00 -1.23 -4.94 105.19 101.71 1jdj n GLY 346 Ca 0.06 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 1jdj n GLY 346 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jdj s LEU 347 N -0.27 4.37 0.22 0.99 1.43 -1.26 -5.00 118.68 119.16 1jdj s LEU 347 Ca 0.00 2.66 -0.00 0.00 -1.03 0.00 0.00 54.13 55.76 1jdj s LEU 347 Cb 0.00 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 1jdj s LEU 347 CO 0.00 -0.86 0.12 -1.10 0.23 0.00 0.00 176.35 174.73 1jdj s GLN 348 N 1.30 1.27 0.49 1.70 -0.21 -1.26 -5.15 119.66 117.79 1jdj s GLN 348 Ca 0.72 -1.67 -0.10 0.00 0.02 0.00 0.00 55.36 54.32 1jdj s GLN 348 Cb -0.45 0.08 -0.05 0.00 1.00 0.00 0.00 33.01 33.59 1jdj s GLN 348 CO 0.32 -0.35 0.87 -0.51 -2.12 0.00 0.00 175.29 173.49 1jdj s ASP 349 N -3.21 6.41 0.63 5.90 1.01 -1.26 -4.94 116.67 121.21 1jdj s ASP 349 Ca 0.38 1.22 0.37 0.00 0.71 0.00 0.00 52.55 55.23 1jdj s ASP 349 Cb 0.07 -2.37 2.12 0.00 1.01 0.00 0.00 42.92 43.75 1jdj s ASP 349 CO 0.12 -0.57 2.31 -0.08 0.21 0.00 0.00 175.17 177.16 1jdj h GLU 350 N 0.61 0.00 -1.09 8.23 4.81 -2.04 -3.46 114.58 121.64 1jdj h GLU 350 Ca -0.46 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.59 1jdj h GLU 350 Cb 1.19 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1jdj h GLU 350 CO 0.62 0.00 -0.21 0.41 -0.73 0.00 0.00 179.01 179.10 1jdj n GLY 351 N -1.21 0.22 3.53 1.92 0.00 -1.26 -5.04 105.19 103.36 1jdj n GLY 351 Ca -0.03 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 1jdj n GLY 351 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jdj s LEU 352 N -2.43 3.26 0.66 0.99 1.43 -1.26 -5.11 118.68 116.21 1jdj s LEU 352 Ca 0.00 -0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 52.88 1jdj s LEU 352 Cb 0.00 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 1jdj s LEU 352 CO 0.00 0.24 1.07 -2.16 0.23 0.00 0.00 176.35 175.73 1jdj s PRO 353 N -0.04 2.98 0.53 1.29 0.04 -1.26 -5.00 135.00 133.54 1jdj s PRO 353 Ca 0.01 1.18 -0.19 0.00 0.04 0.00 0.00 61.00 62.04 1jdj s PRO 353 Cb -0.13 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 1jdj s PRO 353 CO 0.03 -1.08 1.08 -1.25 0.04 0.00 0.00 177.00 175.81 1jdj s PRO 354 N -4.42 3.50 -0.06 0.56 0.04 -1.26 -4.94 135.00 128.43 1jdj s PRO 354 Ca 0.63 1.44 0.15 0.00 0.04 0.00 0.00 61.00 63.26 1jdj s PRO 354 Cb -0.17 -2.04 -0.22 0.00 0.04 0.00 0.00 34.50 32.12 1jdj s PRO 354 CO 0.45 -0.69 0.55 1.28 0.04 0.00 0.00 177.00 178.62 1jdj n LEU 355 N -1.32 0.62 -4.19 -3.56 4.77 -1.26 -4.91 117.00 107.15 1jdj n LEU 355 Ca 0.10 0.29 -0.27 0.00 -0.03 0.00 0.00 56.01 56.10 1jdj n LEU 355 Cb 0.52 0.22 -0.16 0.00 -2.33 0.00 0.00 43.42 41.67 1jdj n LEU 355 CO 0.42 0.34 -0.52 -0.36 -1.33 0.00 0.00 177.39 175.94 1jdj s PHE 356 N -2.69 1.83 -2.55 -1.77 0.08 -1.26 -5.36 117.98 106.25 1jdj s PHE 356 Ca -0.06 -0.44 0.28 0.00 0.12 0.00 0.00 56.93 56.83 1jdj s PHE 356 Cb 0.08 -1.20 0.96 0.00 -0.57 0.00 0.00 43.02 42.29 1jdj s PHE 356 CO 0.83 -0.10 1.70 1.63 -0.10 0.00 0.00 175.22 179.17