#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jd3 s HIS 2 N 0.00 -0.09 0.39 0.66 5.04 -1.26 -5.03 115.29 115.00 1jd3 s HIS 2 Ca 0.00 0.19 0.06 0.00 -1.54 0.00 0.00 55.06 53.78 1jd3 s HIS 2 Cb 0.00 0.48 0.80 0.00 0.04 0.00 0.00 32.58 33.90 1jd3 s HIS 2 CO 0.00 -0.06 2.02 -1.00 -2.34 0.00 0.00 174.74 173.36 1jd3 h PRO 3 N 2.70 0.64 -0.61 2.88 0.13 -2.06 -2.16 132.00 133.51 1jd3 h PRO 3 Ca -0.19 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.84 1jd3 h PRO 3 Cb 1.19 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 1jd3 h PRO 3 CO 0.20 0.42 0.11 0.00 -0.23 0.00 0.00 178.00 178.50 1jd3 h ALA 4 N 1.68 1.04 0.00 -0.56 0.00 -2.00 -2.05 119.26 117.38 1jd3 h ALA 4 Ca 0.22 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1jd3 h ALA 4 Cb 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1jd3 h ALA 4 CO -0.05 0.62 -0.41 -0.07 0.00 0.00 0.00 179.25 179.33 1jd3 h LEU 5 N 0.93 0.00 -0.31 0.00 -0.00 -1.82 -0.77 115.31 113.34 1jd3 h LEU 5 Ca 0.19 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.95 1jd3 h LEU 5 Cb 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.04 1jd3 h LEU 5 CO 0.01 0.41 -0.28 0.74 -0.00 0.00 0.00 178.44 179.31 1jd3 h THR 6 N 0.00 1.30 -0.45 0.22 2.02 -1.16 -2.03 112.91 112.81 1jd3 h THR 6 Ca -0.00 -1.45 -0.09 0.00 0.77 0.00 0.00 66.41 65.64 1jd3 h THR 6 Cb 0.72 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 1jd3 h THR 6 CO 0.05 0.47 -0.08 1.56 0.37 0.00 0.00 175.52 177.89 1jd3 h GLN 7 N 0.50 0.80 -0.83 6.66 4.20 -1.09 -3.03 115.11 122.32 1jd3 h GLN 7 Ca 0.05 -0.25 0.02 0.00 0.06 0.00 0.00 58.65 58.53 1jd3 h GLN 7 Cb 0.85 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.51 1jd3 h GLN 7 CO 0.07 0.86 0.54 1.25 -0.67 0.00 0.00 178.83 180.88 1jd3 h LEU 8 N 0.73 0.92 -1.17 1.46 6.46 -1.04 -2.53 115.31 120.13 1jd3 h LEU 8 Ca 0.13 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1jd3 h LEU 8 Cb 0.56 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.27 1jd3 h LEU 8 CO 0.03 0.65 0.00 0.03 -0.62 0.00 0.00 178.44 178.53 1jd3 h ARG 9 N 1.08 0.00 -0.00 1.25 3.08 -1.25 -2.95 114.38 115.60 1jd3 h ARG 9 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1jd3 h ARG 9 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1jd3 h ARG 9 CO -0.09 0.00 -0.47 0.00 -1.07 0.00 0.00 179.97 178.33 1jd3 n ALA 10 N -1.91 3.52 -1.58 0.04 0.00 -0.96 -4.97 120.51 114.65 1jd3 n ALA 10 Ca 0.01 -0.39 -0.45 0.00 0.00 0.00 0.00 53.44 52.61 1jd3 n ALA 10 Cb 0.24 -1.09 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 1jd3 n ALA 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jd3 n LEU 11 N -1.25 1.58 -4.22 0.00 4.77 -1.12 -4.87 117.00 111.89 1jd3 n LEU 11 Ca 0.07 1.18 -0.33 0.00 -0.03 0.00 0.00 56.01 56.90 1jd3 n LEU 11 Cb 0.34 -1.26 -0.16 0.00 -2.33 0.00 0.00 43.42 40.01 1jd3 n LEU 11 CO 0.33 -1.51 -0.49 -0.13 -1.33 0.00 0.00 177.39 174.26 1jd3 s ARG 12 N -1.49 3.15 0.24 3.23 0.52 -0.94 -4.88 118.95 118.78 1jd3 s ARG 12 Ca 0.59 -0.78 -0.06 0.00 -0.52 0.00 0.00 55.73 54.97 1jd3 s ARG 12 Cb -0.72 -2.60 -0.06 0.00 0.52 0.00 0.00 34.95 32.09 1jd3 s ARG 12 CO 0.59 -0.04 0.50 0.71 0.02 0.00 0.00 175.30 177.09 1jd3 s TYR 13 N 0.93 3.46 -0.00 -0.53 1.51 -1.26 -1.51 117.35 119.95 1jd3 s TYR 13 Ca -0.03 0.66 0.05 0.00 -1.01 0.00 0.00 57.07 56.74 1jd3 s TYR 13 Cb -0.15 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.57 1jd3 s TYR 13 CO -0.03 0.26 -0.16 -1.54 -1.11 0.00 0.00 175.55 172.98 1jd3 s SER 14 N -2.82 3.95 0.25 2.29 1.04 -1.02 -5.01 113.70 112.38 1jd3 s SER 14 Ca 0.44 -0.30 -0.05 0.00 0.48 0.00 0.00 55.95 56.52 1jd3 s SER 14 Cb -0.11 -0.75 0.31 0.00 0.10 0.00 0.00 66.02 65.57 1jd3 s SER 14 CO 0.27 0.30 1.88 0.07 0.98 0.00 0.00 173.24 176.74 1jd3 h LYS 15 N 4.92 1.10 -5.72 4.02 2.10 -2.00 -3.40 116.57 117.59 1jd3 h LYS 15 Ca -0.47 -0.07 -0.67 0.00 -2.00 0.00 0.00 60.65 57.45 1jd3 h LYS 15 Cb 1.15 -0.25 -0.12 0.00 -0.90 0.00 0.00 32.23 32.12 1jd3 h LYS 15 CO 0.49 0.73 -0.55 -2.00 -2.00 0.00 0.00 179.45 176.12 1jd3 s GLU 16 N -6.08 3.34 0.04 0.07 2.12 -1.26 -4.98 118.70 111.95 1jd3 s GLU 16 Ca -0.13 -0.27 -0.31 0.00 0.36 0.00 0.00 54.97 54.62 1jd3 s GLU 16 Cb 0.18 -3.04 -0.07 0.00 0.26 0.00 0.00 34.13 31.47 1jd3 s GLU 16 CO 0.80 0.67 1.47 0.42 -0.54 0.00 0.00 175.26 178.08 1jd3 s ILE 17 N -0.75 3.44 0.62 -3.70 1.01 -1.26 -4.91 121.20 115.65 1jd3 s ILE 17 Ca 0.12 0.90 -0.17 0.00 0.00 0.00 0.00 60.65 61.50 1jd3 s ILE 17 Cb -0.12 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 1jd3 s ILE 17 CO 0.03 0.01 1.13 -2.16 0.00 0.00 0.00 174.94 173.94 1jd3 s PRO 18 N 2.21 2.97 -1.41 2.79 0.04 -1.26 -4.90 135.00 135.43 1jd3 s PRO 18 Ca 0.67 1.51 -0.14 0.00 0.04 0.00 0.00 61.00 63.07 1jd3 s PRO 18 Cb -0.35 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.29 1jd3 s PRO 18 CO 0.29 -1.14 2.10 0.00 0.04 0.00 0.00 177.00 178.29 1jd3 n ALA 19 N -2.01 5.16 -1.92 8.56 0.00 -1.26 -4.96 120.51 124.08 1jd3 n ALA 19 Ca 0.11 -3.92 -0.27 0.00 0.00 0.00 0.00 53.44 49.37 1jd3 n ALA 19 Cb 0.51 -3.50 0.08 0.00 0.00 0.00 0.00 19.45 16.54 1jd3 n ALA 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jd3 s LEU 20 N 2.36 2.73 0.64 0.00 1.43 -1.26 -5.01 118.68 119.56 1jd3 s LEU 20 Ca 0.48 0.52 -0.16 0.00 -1.03 0.00 0.00 54.13 53.93 1jd3 s LEU 20 Cb 0.12 -3.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.23 1jd3 s LEU 20 CO -0.05 -1.72 1.13 1.51 0.23 0.00 0.00 176.35 177.44 1jd3 s ASP 21 N -4.55 5.18 0.37 2.29 -4.77 -1.26 -4.80 116.67 109.13 1jd3 s ASP 21 Ca 0.61 2.08 0.12 0.00 -3.30 0.00 0.00 52.55 52.06 1jd3 s ASP 21 Cb -0.10 -2.56 0.91 0.00 -1.09 0.00 0.00 42.92 40.07 1jd3 s ASP 21 CO 0.46 -1.58 1.83 1.55 0.70 0.00 0.00 175.17 178.13 1jd3 h PRO 22 N 0.31 0.57 -0.54 2.11 0.13 -1.98 -2.05 132.00 130.55 1jd3 h PRO 22 Ca -0.48 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.57 1jd3 h PRO 22 Cb 1.26 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1jd3 h PRO 22 CO 0.54 0.38 0.15 1.96 -0.23 0.00 0.00 178.00 180.81 1jd3 h GLN 23 N 0.59 0.84 -0.25 0.86 1.08 -2.00 0.76 115.11 117.00 1jd3 h GLN 23 Ca 0.50 -0.19 -0.15 0.00 -1.45 0.00 0.00 58.65 57.36 1jd3 h GLN 23 Cb 0.98 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.29 1jd3 h GLN 23 CO -0.25 0.78 -0.47 1.25 -0.95 0.00 0.00 178.83 179.20 1jd3 h LEU 24 N 0.74 0.71 -0.65 1.46 5.85 -1.75 -3.12 115.31 118.55 1jd3 h LEU 24 Ca 0.17 -0.34 -0.15 0.00 0.84 0.00 0.00 57.88 58.40 1jd3 h LEU 24 Cb 0.30 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1jd3 h LEU 24 CO -0.00 1.06 -0.56 -0.07 -0.34 0.00 0.00 178.44 178.53 1jd3 h LEU 25 N 0.52 0.37 -0.70 2.25 3.38 -1.14 -2.00 115.31 117.99 1jd3 h LEU 25 Ca 0.03 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.85 1jd3 h LEU 25 Cb 1.01 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 1jd3 h LEU 25 CO 0.09 0.86 0.42 -0.78 0.09 0.00 0.00 178.44 179.12 1jd3 h ASP 26 N 0.25 0.66 -0.01 -0.43 1.82 -0.82 -1.00 116.42 116.89 1jd3 h ASP 26 Ca 0.00 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1jd3 h ASP 26 Cb 1.07 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 40.95 1jd3 h ASP 26 CO 0.09 0.44 -0.00 -0.50 -1.61 0.00 0.00 179.24 177.66 1jd3 h TRP 27 N 0.79 0.02 0.00 0.28 4.06 -1.44 -3.12 115.95 116.54 1jd3 h TRP 27 Ca 0.30 -0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.18 1jd3 h TRP 27 Cb 0.11 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.25 1jd3 h TRP 27 CO -0.06 0.33 -0.32 -0.07 -3.56 0.00 0.00 178.44 174.76 1jd3 h LEU 28 N -0.29 0.00 -2.14 -4.49 3.38 -1.09 -3.10 115.31 107.58 1jd3 h LEU 28 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jd3 h LEU 28 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1jd3 h LEU 28 CO 0.00 0.32 0.00 0.18 0.09 0.00 0.00 178.44 179.03 1jd3 n LEU 29 N -3.66 3.21 -4.52 1.67 4.77 -0.40 -4.99 117.00 113.06 1jd3 n LEU 29 Ca -0.01 -1.37 -0.52 0.00 -0.03 0.00 0.00 56.01 54.09 1jd3 n LEU 29 Cb 0.43 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 1jd3 n LEU 29 CO 0.36 0.68 0.55 -0.11 -1.33 0.00 0.00 177.39 177.54 1jd3 n LEU 30 N 1.33 0.59 -2.61 2.23 7.94 -1.18 -4.83 117.00 120.47 1jd3 n LEU 30 Ca 0.19 1.14 -0.27 0.00 -1.11 0.00 0.00 56.01 55.96 1jd3 n LEU 30 Cb 0.57 -1.08 -0.07 0.00 0.53 0.00 0.00 43.42 43.36 1jd3 n LEU 30 CO 0.15 -1.77 1.86 -0.62 -1.11 0.00 0.00 177.39 175.90 1jd3 n GLU 31 N 1.58 2.79 -3.77 1.96 1.02 -1.26 -4.83 120.64 118.12 1jd3 n GLU 31 Ca 0.17 -2.23 -0.01 0.00 -0.02 0.00 0.00 57.16 55.07 1jd3 n GLU 31 Cb 0.20 -2.24 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 1jd3 n GLU 31 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1jd3 s ASP 32 N 0.85 -0.06 1.11 1.62 -1.08 -1.26 -4.99 116.67 112.86 1jd3 s ASP 32 Ca 0.61 -0.35 -0.19 0.00 -0.52 0.00 0.00 52.55 52.10 1jd3 s ASP 32 Cb 0.32 0.33 0.26 0.00 -1.46 0.00 0.00 42.92 42.37 1jd3 s ASP 32 CO -0.14 -0.63 1.23 -0.94 0.52 0.00 0.00 175.17 175.21 1jd3 s SER 33 N -3.20 1.74 0.00 -0.34 1.04 -1.26 -4.97 113.70 106.71 1jd3 s SER 33 Ca 0.18 0.36 0.27 0.00 0.48 0.00 0.00 55.95 57.24 1jd3 s SER 33 Cb 0.01 -0.43 0.92 0.00 0.10 0.00 0.00 66.02 66.61 1jd3 s SER 33 CO 0.00 -3.59 1.67 0.23 0.98 0.00 0.00 173.24 172.53 1jd3 n MET 34 N -4.36 1.76 0.03 4.02 2.81 -1.26 -4.60 117.12 115.52 1jd3 n MET 34 Ca 0.15 -1.10 -0.13 0.00 -1.81 0.00 0.00 57.70 54.81 1jd3 n MET 34 Cb 0.59 -1.47 -0.07 0.00 -0.71 0.00 0.00 33.22 31.56 1jd3 n MET 34 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1jd3 h THR 35 N 2.66 0.13 -0.02 2.03 2.02 -1.94 -0.86 112.91 116.93 1jd3 h THR 35 Ca 0.00 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.01 1jd3 h THR 35 Cb 0.57 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1jd3 h THR 35 CO 0.00 0.00 -0.77 0.11 0.37 0.00 0.00 175.52 175.23 1jd3 h LYS 36 N -0.55 0.17 -0.42 6.66 1.79 -1.90 -2.09 116.57 120.24 1jd3 h LYS 36 Ca 0.06 -0.16 -0.07 0.00 -2.18 0.00 0.00 60.65 58.30 1jd3 h LYS 36 Cb 0.65 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.32 1jd3 h LYS 36 CO -0.36 0.86 -0.02 -0.09 -1.08 0.00 0.00 179.45 178.76 1jd3 h ARG 37 N 0.11 0.69 -0.22 3.15 1.12 -1.81 0.46 114.38 117.87 1jd3 h ARG 37 Ca -0.03 -0.18 -0.17 0.00 -1.11 0.00 0.00 59.98 58.50 1jd3 h ARG 37 Cb 1.35 -0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 31.23 1jd3 h ARG 37 CO 0.12 0.72 -0.55 0.74 -3.11 0.00 0.00 179.97 177.89 1jd3 h PHE 38 N 0.64 0.84 -0.44 2.20 0.04 -0.88 -2.83 116.94 116.52 1jd3 h PHE 38 Ca 0.13 -0.30 -0.00 0.00 2.80 0.00 0.00 57.97 60.60 1jd3 h PHE 38 Cb 0.43 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1jd3 h PHE 38 CO 0.02 1.07 0.26 0.93 -0.60 0.00 0.00 178.31 179.98 1jd3 h GLU 39 N 0.52 0.58 0.00 1.51 5.08 -1.02 -1.88 114.58 119.37 1jd3 h GLU 39 Ca 0.01 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1jd3 h GLU 39 Cb 1.11 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1jd3 h GLU 39 CO 0.11 0.41 -0.00 0.37 -1.00 0.00 0.00 179.01 178.90 1jd3 h GLN 40 N 0.60 0.00 0.00 2.33 4.15 -0.66 -0.62 115.11 120.91 1jd3 h GLN 40 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1jd3 h GLN 40 Cb -0.02 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.67 1jd3 h GLN 40 CO -0.03 0.00 0.00 1.04 -1.93 0.00 0.00 178.83 177.91 1jd3 n GLN 41 N -4.30 0.58 -1.95 1.69 1.13 -0.71 -4.83 117.38 109.00 1jd3 n GLN 41 Ca -0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 1jd3 n GLN 41 Cb 0.09 -1.23 0.00 0.00 0.11 0.00 0.00 30.24 29.21 1jd3 n GLN 41 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jd3 n GLY 42 N 0.11 0.72 3.15 1.08 0.00 -0.25 -5.08 105.19 104.92 1jd3 n GLY 42 Ca 0.06 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 1jd3 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jd3 s LYS 43 N -3.83 0.77 -0.04 1.61 -0.14 -1.15 -5.04 119.74 111.91 1jd3 s LYS 43 Ca 0.00 -1.16 -0.14 0.00 -1.36 0.00 0.00 55.97 53.31 1jd3 s LYS 43 Cb 0.00 -0.31 -0.05 0.00 -1.68 0.00 0.00 37.83 35.79 1jd3 s LYS 43 CO 0.00 0.02 0.36 0.99 -0.76 0.00 0.00 175.35 175.96 1jd3 s THR 44 N -2.82 5.15 -0.06 2.17 2.01 -1.26 -4.29 115.64 116.53 1jd3 s THR 44 Ca 0.05 0.71 0.02 0.00 0.31 0.00 0.00 61.69 62.78 1jd3 s THR 44 Cb -0.00 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 1jd3 s THR 44 CO -0.02 0.55 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.66 1jd3 s VAL 45 N -0.80 3.37 0.06 3.82 1.01 -1.26 -0.44 120.40 126.15 1jd3 s VAL 45 Ca 0.22 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1jd3 s VAL 45 Cb -0.15 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1jd3 s VAL 45 CO 0.11 0.59 -0.06 -0.94 0.00 0.00 0.00 175.10 174.79 1jd3 s SER 46 N -0.68 0.88 -0.13 3.32 1.04 -0.48 -4.98 113.70 112.66 1jd3 s SER 46 Ca 0.10 -0.77 -0.04 0.00 0.48 0.00 0.00 55.95 55.73 1jd3 s SER 46 Cb -0.11 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 1jd3 s SER 46 CO 0.01 -0.35 0.01 -0.69 0.98 0.00 0.00 173.24 173.20 1jd3 s VAL 47 N -2.51 4.36 -0.22 5.02 1.01 -1.26 -0.62 120.40 126.18 1jd3 s VAL 47 Ca -0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 1jd3 s VAL 47 Cb -0.02 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 1jd3 s VAL 47 CO -0.03 0.54 -0.00 -0.89 0.00 0.00 0.00 175.10 174.72 1jd3 s THR 48 N -0.25 3.84 -0.21 3.92 2.01 0.11 -4.92 115.64 120.13 1jd3 s THR 48 Ca 0.06 -0.34 -0.29 0.00 0.31 0.00 0.00 61.69 61.43 1jd3 s THR 48 Cb -0.12 -2.75 0.01 0.00 0.01 0.00 0.00 72.50 69.64 1jd3 s THR 48 CO 0.02 0.41 1.02 -0.32 -0.69 0.00 0.00 174.62 175.06 1jd3 s MET 49 N 1.26 4.28 -0.22 4.92 1.75 -1.26 -1.29 119.30 128.73 1jd3 s MET 49 Ca 0.04 1.33 -0.03 0.00 -1.25 0.00 0.00 55.69 55.77 1jd3 s MET 49 Cb -0.15 -3.62 -0.19 0.00 2.84 0.00 0.00 34.83 33.71 1jd3 s MET 49 CO 0.01 -0.57 -0.05 -0.89 -0.65 0.00 0.00 175.02 172.87 1jd3 n ILE 50 N 5.19 1.58 -3.63 10.11 2.08 0.69 -4.98 119.36 130.40 1jd3 n ILE 50 Ca 0.11 -0.55 -0.13 0.00 0.56 0.00 0.00 62.75 62.74 1jd3 n ILE 50 Cb 0.47 -1.59 -0.07 0.00 -0.75 0.00 0.00 39.64 37.69 1jd3 n ILE 50 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 1jd3 s ARG 51 N -2.52 0.77 -0.07 0.38 3.52 -0.61 -4.57 118.95 115.84 1jd3 s ARG 51 Ca -0.31 0.93 -0.04 0.00 -0.13 0.00 0.00 55.73 56.18 1jd3 s ARG 51 Cb 0.09 0.36 0.03 0.00 -1.56 0.00 0.00 34.95 33.87 1jd3 s ARG 51 CO 0.64 -0.10 0.17 -2.00 -0.81 0.00 0.00 175.30 173.20 1jd3 s GLU 52 N 0.43 0.15 0.00 5.12 2.12 -1.26 -0.63 118.70 124.63 1jd3 s GLU 52 Ca -0.00 0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.68 1jd3 s GLU 52 Cb -0.05 -0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.26 1jd3 s GLU 52 CO -0.02 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.00 1jd3 n GLY 53 N 3.81 1.31 3.78 -1.50 0.00 -0.55 -4.97 105.19 107.06 1jd3 n GLY 53 Ca -0.22 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.32 1jd3 n GLY 53 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jd3 s PHE 54 N -2.00 3.84 0.22 1.61 0.40 -1.26 -0.60 117.98 120.20 1jd3 s PHE 54 Ca 0.00 1.63 -0.00 0.00 -0.60 0.00 0.00 56.93 57.96 1jd3 s PHE 54 Cb 0.00 -2.78 -0.04 0.00 0.51 0.00 0.00 43.02 40.71 1jd3 s PHE 54 CO 0.00 0.44 0.13 0.14 0.70 0.00 0.00 175.22 176.63 1jd3 s VAL 55 N -1.28 0.14 0.46 -0.44 -7.23 0.40 -4.92 120.40 107.53 1jd3 s VAL 55 Ca 0.39 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.63 1jd3 s VAL 55 Cb -0.22 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.18 1jd3 s VAL 55 CO 0.25 0.00 0.33 -1.61 -0.31 0.00 0.00 175.10 173.77 1jd3 s GLU 56 N -4.10 2.35 0.36 4.82 2.02 -1.26 0.03 118.70 122.91 1jd3 s GLU 56 Ca 0.39 -1.79 0.12 0.00 0.02 0.00 0.00 54.97 53.71 1jd3 s GLU 56 Cb 0.07 -2.17 0.93 0.00 0.10 0.00 0.00 34.13 33.06 1jd3 s GLU 56 CO 0.13 -0.32 1.79 1.96 0.02 0.00 0.00 175.26 178.84 1jd3 h GLN 57 N 1.05 0.55 -0.12 1.61 4.20 -1.84 -1.92 115.11 118.65 1jd3 h GLN 57 Ca -0.40 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.31 1jd3 h GLN 57 Cb 1.27 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.93 1jd3 h GLN 57 CO 0.61 0.36 0.13 -2.95 -0.67 0.00 0.00 178.83 176.31 1jd3 h ASN 58 N 0.57 0.00 0.81 1.46 -0.00 -1.99 -2.38 115.58 114.05 1jd3 h ASN 58 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.86 1jd3 h ASN 58 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.47 1jd3 h ASN 58 CO -0.31 0.00 -0.25 -0.62 -0.00 0.00 0.00 177.43 176.25 1jd3 n GLU 59 N -3.87 0.03 -2.38 4.14 1.02 -0.72 -4.20 120.64 114.67 1jd3 n GLU 59 Ca -0.00 0.02 -0.21 0.00 -0.02 0.00 0.00 57.16 56.94 1jd3 n GLU 59 Cb 0.24 -1.53 0.02 0.00 -0.02 0.00 0.00 31.44 30.14 1jd3 n GLU 59 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1jd3 n ILE 60 N -1.58 2.16 -0.31 -3.67 -5.35 -0.90 -4.91 119.36 104.80 1jd3 n ILE 60 Ca 0.06 -4.28 0.17 0.00 -0.27 0.00 0.00 62.75 58.44 1jd3 n ILE 60 Cb 0.35 -0.75 0.43 0.00 -1.74 0.00 0.00 39.64 37.93 1jd3 n ILE 60 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1jd3 h PRO 61 N 2.50 0.54 -0.00 6.28 0.13 -1.73 -1.36 132.00 138.35 1jd3 h PRO 61 Ca 0.24 -0.03 -0.18 0.00 -0.87 0.00 0.00 66.00 65.16 1jd3 h PRO 61 Cb 1.20 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1jd3 h PRO 61 CO 0.71 0.36 -0.81 0.93 -0.23 0.00 0.00 178.00 178.97 1jd3 h GLU 62 N 0.56 0.11 0.00 0.86 3.07 -1.94 -3.36 114.58 113.88 1jd3 h GLU 62 Ca 0.54 -0.11 -0.26 0.00 -0.50 0.00 0.00 59.36 59.03 1jd3 h GLU 62 Cb 1.13 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 29.02 1jd3 h GLU 62 CO -0.29 0.85 -1.56 0.93 -1.40 0.00 0.00 179.01 177.55 1jd3 h GLU 63 N 0.07 0.00 -0.94 2.33 3.07 -1.82 -3.40 114.58 113.89 1jd3 h GLU 63 Ca -0.02 0.00 0.26 0.00 -0.50 0.00 0.00 59.36 59.10 1jd3 h GLU 63 Cb 1.41 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 29.18 1jd3 h GLU 63 CO 0.12 0.53 0.42 1.25 -1.40 0.00 0.00 179.01 179.93 1jd3 h LEU 64 N 0.00 0.33 -1.27 1.33 5.85 -1.41 -0.16 115.31 119.98 1jd3 h LEU 64 Ca -0.23 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1jd3 h LEU 64 Cb 1.92 0.16 0.00 0.00 0.37 0.00 0.00 40.66 43.11 1jd3 h LEU 64 CO 0.08 -0.08 0.00 -0.65 -0.34 0.00 0.00 178.44 177.45 1jd3 h PRO 65 N 0.34 0.00 -0.02 5.25 0.11 -1.79 -2.87 132.00 133.02 1jd3 h PRO 65 Ca 0.62 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.73 1jd3 h PRO 65 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1jd3 h PRO 65 CO -0.59 0.00 -0.03 1.28 -0.21 0.00 0.00 178.00 178.45 1jd3 n LEU 66 N -2.36 2.44 -4.35 2.35 4.77 -0.08 -5.02 117.00 114.76 1jd3 n LEU 66 Ca -0.00 -0.98 -0.18 0.00 -0.03 0.00 0.00 56.01 54.82 1jd3 n LEU 66 Cb 0.13 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.11 1jd3 n LEU 66 CO 0.15 0.43 -0.32 -0.76 -1.33 0.00 0.00 177.39 175.56 1jd3 s LEU 67 N -1.56 2.15 0.73 2.23 1.43 -1.08 -5.03 118.68 117.55 1jd3 s LEU 67 Ca 0.21 -1.25 -0.15 0.00 -1.03 0.00 0.00 54.13 51.91 1jd3 s LEU 67 Cb 0.15 -0.27 0.04 0.00 0.03 0.00 0.00 46.19 46.14 1jd3 s LEU 67 CO 0.24 -0.54 1.18 -2.16 0.23 0.00 0.00 176.35 175.30 1jd3 s PRO 68 N -3.88 2.22 -0.22 1.29 0.04 -1.26 -4.92 135.00 128.27 1jd3 s PRO 68 Ca 0.30 1.64 -0.17 0.00 0.04 0.00 0.00 61.00 62.81 1jd3 s PRO 68 Cb 0.06 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 1jd3 s PRO 68 CO 0.10 -1.74 0.47 0.15 0.04 0.00 0.00 177.00 176.01 1jd3 s LYS 69 N -4.03 4.13 0.25 4.56 -0.14 -1.26 -4.99 119.74 118.27 1jd3 s LYS 69 Ca 0.72 0.29 0.02 0.00 -1.36 0.00 0.00 55.97 55.64 1jd3 s LYS 69 Cb -0.26 -3.59 -0.04 0.00 -1.68 0.00 0.00 37.83 32.26 1jd3 s LYS 69 CO 0.45 -0.19 0.18 -1.21 -0.76 0.00 0.00 175.35 173.82 1jd3 s GLU 70 N 1.78 1.42 0.43 1.68 2.02 -1.26 -5.06 118.70 119.70 1jd3 s GLU 70 Ca 0.21 -1.79 0.22 0.00 0.02 0.00 0.00 54.97 53.64 1jd3 s GLU 70 Cb -0.15 0.22 0.34 0.00 0.10 0.00 0.00 34.13 34.64 1jd3 s GLU 70 CO 0.09 -0.47 1.60 0.77 0.02 0.00 0.00 175.26 177.27 1jd3 h SER 71 N 2.42 0.00 -5.07 -0.19 0.02 -1.96 -3.43 113.55 105.34 1jd3 h SER 71 Ca -0.32 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.55 1jd3 h SER 71 Cb 1.24 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.63 1jd3 h SER 71 CO 0.48 0.05 -0.16 -0.60 -1.14 0.00 0.00 176.83 175.46 1jd3 s ARG 72 N -3.20 0.94 0.05 3.45 3.52 -1.26 -4.54 118.95 117.91 1jd3 s ARG 72 Ca 0.07 -0.58 0.00 0.00 -0.13 0.00 0.00 55.73 55.09 1jd3 s ARG 72 Cb 0.05 0.41 -0.03 0.00 -1.56 0.00 0.00 34.95 33.82 1jd3 s ARG 72 CO 0.67 -0.33 -0.05 0.71 -0.81 0.00 0.00 175.30 175.50 1jd3 s TYR 73 N -3.10 0.58 -0.21 5.12 1.51 0.10 -2.70 117.35 118.64 1jd3 s TYR 73 Ca -0.01 -0.81 -0.10 0.00 -1.01 0.00 0.00 57.07 55.14 1jd3 s TYR 73 Cb 0.01 -0.38 -0.05 0.00 -0.11 0.00 0.00 41.96 41.43 1jd3 s TYR 73 CO -0.07 -0.23 0.14 -0.46 -1.11 0.00 0.00 175.55 173.82 1jd3 s TRP 74 N -2.83 3.37 -0.09 2.71 -0.11 -0.40 -0.45 118.94 121.13 1jd3 s TRP 74 Ca -0.00 0.27 0.03 0.00 1.22 0.00 0.00 56.10 57.62 1jd3 s TRP 74 Cb -0.00 -2.19 -0.02 0.00 -1.50 0.00 0.00 33.47 29.76 1jd3 s TRP 74 CO -0.05 0.20 -0.17 -1.17 -4.62 0.00 0.00 176.95 171.14 1jd3 s LEU 75 N 0.61 2.53 -0.09 5.86 2.96 0.23 -0.76 118.68 130.03 1jd3 s LEU 75 Ca 0.08 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1jd3 s LEU 75 Cb -0.12 -1.53 0.03 0.00 0.50 0.00 0.00 46.19 45.08 1jd3 s LEU 75 CO 0.00 0.23 0.01 -0.60 -1.32 0.00 0.00 176.35 174.68 1jd3 s ARG 76 N -0.06 0.54 -0.12 1.98 3.52 -0.35 -1.48 118.95 122.98 1jd3 s ARG 76 Ca -0.04 0.06 0.01 0.00 -0.13 0.00 0.00 55.73 55.64 1jd3 s ARG 76 Cb -0.14 -1.09 0.02 0.00 -1.56 0.00 0.00 34.95 32.17 1jd3 s ARG 76 CO 0.04 -0.36 -0.15 -1.21 -0.81 0.00 0.00 175.30 172.82 1jd3 s GLU 77 N 1.98 2.22 0.26 5.12 2.02 0.19 -0.90 118.70 129.59 1jd3 s GLU 77 Ca 0.04 -0.55 0.01 0.00 0.02 0.00 0.00 54.97 54.50 1jd3 s GLU 77 Cb -0.13 -1.95 -0.05 0.00 0.10 0.00 0.00 34.13 32.10 1jd3 s GLU 77 CO -0.05 -0.13 0.09 0.96 0.02 0.00 0.00 175.26 176.15 1jd3 s ILE 78 N 1.18 0.60 -0.10 -1.63 -5.25 -0.60 -0.22 121.20 115.17 1jd3 s ILE 78 Ca -0.02 -2.00 0.04 0.00 -0.99 0.00 0.00 60.65 57.68 1jd3 s ILE 78 Cb -0.14 -2.62 -0.00 0.00 2.95 0.00 0.00 42.46 42.65 1jd3 s ILE 78 CO -0.05 -0.03 -0.23 -0.76 -1.79 0.00 0.00 174.94 172.08 1jd3 s LEU 79 N -3.31 2.13 -0.16 0.37 1.43 -0.42 -1.18 118.68 117.54 1jd3 s LEU 79 Ca 0.37 -0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 52.88 1jd3 s LEU 79 Cb 0.08 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 1jd3 s LEU 79 CO 0.13 0.17 -0.00 -0.22 0.23 0.00 0.00 176.35 176.66 1jd3 s LEU 80 N 0.30 3.46 -0.02 1.79 2.96 0.11 -0.71 118.68 126.57 1jd3 s LEU 80 Ca -0.17 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 1jd3 s LEU 80 Cb -0.18 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 1jd3 s LEU 80 CO 0.08 0.19 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.75 1jd3 s SER 81 N 0.27 4.33 -0.31 3.68 0.01 0.21 -1.00 113.70 120.89 1jd3 s SER 81 Ca -0.01 -0.17 -0.09 0.00 1.31 0.00 0.00 55.95 57.00 1jd3 s SER 81 Cb -0.13 -0.96 0.00 0.00 0.21 0.00 0.00 66.02 65.13 1jd3 s SER 81 CO 0.02 0.32 0.13 0.00 0.41 0.00 0.00 173.24 174.12 1jd3 s ALA 82 N -0.86 3.20 -1.49 1.44 0.00 0.17 -1.39 121.76 122.83 1jd3 s ALA 82 Ca 0.14 -1.44 -0.07 0.00 0.00 0.00 0.00 51.96 50.59 1jd3 s ALA 82 Cb -0.11 -2.31 0.05 0.00 0.00 0.00 0.00 23.12 20.75 1jd3 s ALA 82 CO 0.04 -0.95 0.61 -0.25 0.00 0.00 0.00 175.76 175.20 1jd3 n ASP 83 N 4.94 -1.72 0.00 0.00 8.00 0.41 -1.54 116.55 126.64 1jd3 n ASP 83 Ca -0.14 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.40 1jd3 n ASP 83 Cb 0.48 -3.16 0.00 0.00 -0.02 0.00 0.00 41.12 38.42 1jd3 n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jd3 n GLY 84 N -1.77 1.96 3.52 0.44 0.00 -1.26 -5.03 105.19 103.05 1jd3 n GLY 84 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1jd3 n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jd3 s GLU 85 N -0.19 3.69 0.12 1.61 2.12 -0.59 -5.00 118.70 120.46 1jd3 s GLU 85 Ca 0.00 -0.48 -0.34 0.00 0.36 0.00 0.00 54.97 54.51 1jd3 s GLU 85 Cb 0.00 -3.57 -0.13 0.00 0.26 0.00 0.00 34.13 30.68 1jd3 s GLU 85 CO 0.00 -0.26 1.65 -2.30 -0.54 0.00 0.00 175.26 173.80 1jd3 n PRO 86 N 5.02 2.22 -0.00 4.30 -0.02 -1.26 -0.65 135.00 144.59 1jd3 n PRO 86 Ca -0.14 0.80 0.01 0.00 -2.02 0.00 0.00 63.50 62.15 1jd3 n PRO 86 Cb 0.51 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 1jd3 n PRO 86 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1jd3 n TRP 87 N 4.08 0.00 -3.51 6.00 7.02 -0.17 -4.58 117.44 126.28 1jd3 n TRP 87 Ca 0.18 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.49 1jd3 n TRP 87 Cb 0.30 -0.10 -0.05 0.00 -2.42 0.00 0.00 31.31 29.03 1jd3 n TRP 87 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1jd3 s LEU 88 N -3.41 -0.61 0.07 -0.99 0.20 -1.05 -1.50 118.68 111.39 1jd3 s LEU 88 Ca -0.01 0.60 0.10 0.00 0.69 0.00 0.00 54.13 55.50 1jd3 s LEU 88 Cb 0.02 2.52 -0.03 0.00 -0.43 0.00 0.00 46.19 48.27 1jd3 s LEU 88 CO 0.15 -0.66 -0.26 0.00 -0.29 0.00 0.00 176.35 175.28 1jd3 s ALA 89 N -1.59 2.28 -0.04 5.97 0.00 -0.49 0.09 121.76 127.99 1jd3 s ALA 89 Ca -0.09 -1.32 -0.08 0.00 0.00 0.00 0.00 51.96 50.46 1jd3 s ALA 89 Cb -0.00 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.68 1jd3 s ALA 89 CO 0.06 0.53 0.19 0.00 0.00 0.00 0.00 175.76 176.55 1jd3 s ALA 90 N -0.88 -0.47 -0.08 0.00 0.00 -0.33 0.16 121.76 120.17 1jd3 s ALA 90 Ca 0.12 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1jd3 s ALA 90 Cb -0.10 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.94 1jd3 s ALA 90 CO 0.03 -0.17 -0.07 0.50 0.00 0.00 0.00 175.76 176.06 1jd3 s ARG 91 N -0.71 1.23 -0.05 0.00 3.52 -0.34 -1.56 118.95 121.05 1jd3 s ARG 91 Ca -0.08 -0.20 0.06 0.00 -0.13 0.00 0.00 55.73 55.38 1jd3 s ARG 91 Cb -0.05 -1.24 -0.01 0.00 -1.56 0.00 0.00 34.95 32.09 1jd3 s ARG 91 CO 0.01 -0.15 -0.23 0.99 -0.81 0.00 0.00 175.30 175.11 1jd3 s THR 92 N 1.28 1.90 -0.11 4.11 2.01 -0.08 -0.58 115.64 124.16 1jd3 s THR 92 Ca -0.04 -0.98 -0.00 0.00 0.31 0.00 0.00 61.69 60.97 1jd3 s THR 92 Cb -0.14 -1.61 0.02 0.00 0.01 0.00 0.00 72.50 70.78 1jd3 s THR 92 CO -0.03 0.53 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.67 1jd3 s VAL 93 N -0.10 1.03 -0.17 3.82 1.01 0.10 -1.21 120.40 124.88 1jd3 s VAL 93 Ca -0.04 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1jd3 s VAL 93 Cb -0.13 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.22 1jd3 s VAL 93 CO 0.03 0.37 -0.18 -0.69 0.00 0.00 0.00 175.10 174.63 1jd3 s VAL 94 N 1.65 2.24 0.45 2.92 1.01 0.06 -0.93 120.40 127.80 1jd3 s VAL 94 Ca 0.04 -0.89 -0.25 0.00 0.00 0.00 0.00 61.98 60.88 1jd3 s VAL 94 Cb -0.13 -1.94 -0.08 0.00 0.00 0.00 0.00 36.38 34.24 1jd3 s VAL 94 CO -0.08 0.53 1.32 -2.84 0.00 0.00 0.00 175.10 174.03 1jd3 s PRO 95 N 1.17 3.72 0.62 2.72 0.02 -1.26 -1.28 135.00 140.71 1jd3 s PRO 95 Ca 0.02 2.17 0.41 0.00 0.02 0.00 0.00 61.00 63.62 1jd3 s PRO 95 Cb -0.14 -2.59 2.07 0.00 0.02 0.00 0.00 34.50 33.86 1jd3 s PRO 95 CO -0.09 -0.71 2.23 -0.39 -0.33 0.00 0.00 177.00 177.72 1jd3 h VAL 96 N 2.15 0.00 0.00 3.83 -1.51 -1.86 -0.60 116.25 118.26 1jd3 h VAL 96 Ca -0.50 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1jd3 h VAL 96 Cb 1.26 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 1jd3 h VAL 96 CO 0.61 0.00 0.00 0.77 -1.23 0.00 0.00 177.57 177.72 1jd3 h SER 97 N 0.00 0.00 1.65 4.19 4.64 -1.88 -1.08 113.55 121.07 1jd3 h SER 97 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jd3 h SER 97 Cb 0.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1jd3 h SER 97 CO 0.00 0.00 -0.01 0.74 -0.87 0.00 0.00 176.83 176.69 1jd3 h THR 98 N 0.00 0.02 -0.79 2.95 2.02 -1.40 -3.38 112.91 112.33 1jd3 h THR 98 Ca 0.00 -0.85 -0.73 0.00 0.77 0.00 0.00 66.41 65.60 1jd3 h THR 98 Cb 0.43 1.84 -0.10 0.00 -1.74 0.00 0.00 68.15 68.57 1jd3 h THR 98 CO 0.00 0.01 2.50 0.18 0.37 0.00 0.00 175.52 178.57 1jd3 n LEU 99 N -3.10 6.64 -3.88 2.58 4.77 -0.41 -4.56 117.00 119.05 1jd3 n LEU 99 Ca 0.03 -4.39 -0.11 0.00 -0.03 0.00 0.00 56.01 51.50 1jd3 n LEU 99 Cb 0.46 -1.57 -0.11 0.00 -2.33 0.00 0.00 43.42 39.86 1jd3 n LEU 99 CO 0.32 1.20 -0.23 -0.94 -1.33 0.00 0.00 177.39 176.41 1jd3 s SER 100 N 2.06 0.02 0.76 -1.43 1.04 -1.26 -4.56 113.70 110.33 1jd3 s SER 100 Ca 0.43 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.75 1jd3 s SER 100 Cb 0.11 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1jd3 s SER 100 CO -0.03 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.55 1jd3 n GLY 101 N 2.00 1.97 0.25 7.32 0.00 -1.26 -2.39 105.19 113.08 1jd3 n GLY 101 Ca -0.20 -0.55 0.07 0.00 0.00 0.00 0.00 46.02 45.34 1jd3 n GLY 101 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jd3 h PRO 102 N 0.00 0.05 0.00 1.61 0.11 -1.98 -2.24 132.00 129.55 1jd3 h PRO 102 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1jd3 h PRO 102 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1jd3 h PRO 102 CO 0.00 0.09 0.00 0.93 -0.21 0.00 0.00 178.00 178.81 1jd3 h GLU 103 N 0.05 0.00 -0.02 1.05 3.07 -1.73 -1.80 114.58 115.20 1jd3 h GLU 103 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1jd3 h GLU 103 Cb 0.08 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1jd3 h GLU 103 CO 0.00 0.00 0.08 1.25 -1.40 0.00 0.00 179.01 178.95 1jd3 h LEU 104 N 0.00 0.00 -0.56 1.33 5.85 -1.49 -1.51 115.31 118.94 1jd3 h LEU 104 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1jd3 h LEU 104 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1jd3 h LEU 104 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 1jd3 n ALA 105 N -2.09 1.60 0.25 1.25 0.00 -0.68 -2.30 120.51 118.53 1jd3 n ALA 105 Ca -0.02 0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.56 1jd3 n ALA 105 Cb 0.16 -1.33 0.63 0.00 0.00 0.00 0.00 19.45 18.90 1jd3 n ALA 105 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1jd3 h LEU 106 N 0.00 0.00 -0.70 0.00 3.38 -1.51 -1.90 115.31 114.58 1jd3 h LEU 106 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1jd3 h LEU 106 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1jd3 h LEU 106 CO 0.00 0.11 -0.51 -0.61 0.09 0.00 0.00 178.44 177.52 1jd3 h GLN 107 N 0.00 0.36 -0.52 1.13 4.15 -1.66 -3.25 115.11 115.31 1jd3 h GLN 107 Ca -0.00 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.21 1jd3 h GLN 107 Cb 0.22 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1jd3 h GLN 107 CO 0.01 0.79 0.00 1.63 -1.93 0.00 0.00 178.83 179.33 1jd3 n LYS 108 N -3.95 2.52 -0.21 1.69 4.76 -0.73 -4.60 118.16 117.63 1jd3 n LYS 108 Ca -0.02 -2.33 0.01 0.00 -2.87 0.00 0.00 58.31 53.10 1jd3 n LYS 108 Cb 0.56 -1.52 0.12 0.00 -1.84 0.00 0.00 35.03 32.35 1jd3 n LYS 108 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1jd3 h LEU 109 N 4.18 0.15 0.00 -0.35 3.38 -1.54 -3.47 115.31 117.66 1jd3 h LEU 109 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1jd3 h LEU 109 Cb 0.94 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1jd3 h LEU 109 CO 0.00 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.23 1jd3 n GLY 110 N -1.31 3.04 0.58 0.83 0.00 -1.26 -2.17 105.19 104.90 1jd3 n GLY 110 Ca 0.09 -0.24 0.03 0.00 0.00 0.00 0.00 46.02 45.91 1jd3 n GLY 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jd3 n LYS 111 N 13.72 1.74 -2.78 1.61 5.02 -1.26 -4.81 118.16 131.40 1jd3 n LYS 111 Ca 0.00 -0.84 -0.41 0.00 -2.02 0.00 0.00 58.31 55.04 1jd3 n LYS 111 Cb 0.00 -1.36 -0.04 0.00 -0.02 0.00 0.00 35.03 33.60 1jd3 n LYS 111 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1jd3 s THR 112 N -1.64 4.57 0.10 -0.18 2.01 -0.92 -4.35 115.64 115.22 1jd3 s THR 112 Ca 0.15 1.99 -0.28 0.00 0.31 0.00 0.00 61.69 63.86 1jd3 s THR 112 Cb 0.09 -4.28 -0.06 0.00 0.01 0.00 0.00 72.50 68.26 1jd3 s THR 112 CO 0.08 0.31 0.88 -2.16 -0.69 0.00 0.00 174.62 173.04 1jd3 s PRO 113 N 0.06 4.62 0.41 4.92 0.04 -1.26 -4.98 135.00 138.81 1jd3 s PRO 113 Ca 0.46 1.29 -0.25 0.00 0.04 0.00 0.00 61.00 62.53 1jd3 s PRO 113 Cb -0.23 -3.36 -0.10 0.00 0.04 0.00 0.00 34.50 30.85 1jd3 s PRO 113 CO 0.28 0.28 1.15 -0.11 0.04 0.00 0.00 177.00 178.64 1jd3 n LEU 114 N 2.66 3.30 0.00 -3.56 7.94 -1.26 -5.01 117.00 121.07 1jd3 n LEU 114 Ca -0.00 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 1jd3 n LEU 114 Cb 0.49 -1.43 0.00 0.00 0.53 0.00 0.00 43.42 43.02 1jd3 n LEU 114 CO 0.49 -1.01 0.00 0.61 -1.11 0.00 0.00 177.39 176.37 1jd3 n GLY 115 N 0.98 0.87 0.35 -3.96 0.00 -1.26 -4.41 105.19 97.76 1jd3 n GLY 115 Ca 0.08 -0.53 0.16 0.00 0.00 0.00 0.00 46.02 45.72 1jd3 n GLY 115 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jd3 h ARG 116 N 0.00 0.11 0.00 1.61 3.08 -1.94 -2.72 114.38 114.52 1jd3 h ARG 116 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1jd3 h ARG 116 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1jd3 h ARG 116 CO 0.00 0.07 0.27 0.10 -1.07 0.00 0.00 179.97 179.34 1jd3 h TYR 117 N 0.11 0.00 0.00 3.04 -0.00 -1.98 -1.27 116.97 116.88 1jd3 h TYR 117 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.94 1jd3 h TYR 117 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.43 1jd3 h TYR 117 CO -0.00 0.00 -1.44 1.28 -0.00 0.00 0.00 178.16 178.00 1jd3 n LEU 118 N -2.57 0.44 -2.09 0.10 4.77 -1.02 -4.49 117.00 112.13 1jd3 n LEU 118 Ca -0.02 -0.02 -0.25 0.00 -0.03 0.00 0.00 56.01 55.69 1jd3 n LEU 118 Cb 0.31 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1jd3 n LEU 118 CO 0.11 0.02 0.28 0.49 -1.33 0.00 0.00 177.39 176.95 1jd3 n PHE 119 N -2.14 2.85 0.00 -1.77 3.01 -0.48 -4.81 117.46 114.13 1jd3 n PHE 119 Ca -0.01 -2.36 0.00 0.00 1.01 0.00 0.00 57.45 56.09 1jd3 n PHE 119 Cb 0.50 -0.39 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 1jd3 n PHE 119 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1jd3 n THR 120 N -0.70 1.79 0.00 4.37 -2.24 -1.25 -2.60 114.28 113.65 1jd3 n THR 120 Ca 0.45 0.50 -0.19 0.00 -2.27 0.00 0.00 64.05 62.54 1jd3 n THR 120 Cb 0.91 -1.50 -0.14 0.00 -2.10 0.00 0.00 70.33 67.50 1jd3 n THR 120 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1jd3 n SER 121 N -1.45 1.91 -4.91 3.42 7.64 -1.26 -4.96 113.62 114.00 1jd3 n SER 121 Ca 0.00 0.24 -0.27 0.00 1.01 0.00 0.00 58.87 59.86 1jd3 n SER 121 Cb 0.05 -0.72 -0.00 0.00 -1.01 0.00 0.00 64.21 62.53 1jd3 n SER 121 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1jd3 s SER 122 N -6.88 6.22 -0.11 6.43 0.01 -1.07 -5.05 113.70 113.26 1jd3 s SER 122 Ca -0.19 0.82 -0.27 0.00 1.31 0.00 0.00 55.95 57.62 1jd3 s SER 122 Cb 0.07 -2.16 -0.02 0.00 0.21 0.00 0.00 66.02 64.12 1jd3 s SER 122 CO 0.78 -0.56 0.90 -0.89 0.41 0.00 0.00 173.24 173.87 1jd3 s THR 123 N -2.68 4.87 -0.15 1.44 2.01 -1.26 -4.87 115.64 115.00 1jd3 s THR 123 Ca 0.47 1.81 -0.01 0.00 0.31 0.00 0.00 61.69 64.27 1jd3 s THR 123 Cb -0.10 -4.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.18 1jd3 s THR 123 CO 0.43 0.07 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.09 1jd3 s LEU 124 N 1.74 2.71 0.17 4.42 2.96 -1.26 0.28 118.68 129.69 1jd3 s LEU 124 Ca 0.44 -0.36 -0.06 0.00 -0.22 0.00 0.00 54.13 53.93 1jd3 s LEU 124 Cb -0.18 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 1jd3 s LEU 124 CO 0.17 0.12 0.21 0.42 -1.32 0.00 0.00 176.35 175.95 1jd3 s THR 125 N 0.63 0.06 -0.11 3.68 -4.23 -0.31 -4.97 115.64 110.39 1jd3 s THR 125 Ca -0.07 -1.62 -0.01 0.00 -1.18 0.00 0.00 61.69 58.82 1jd3 s THR 125 Cb -0.15 -2.01 0.03 0.00 1.34 0.00 0.00 72.50 71.70 1jd3 s THR 125 CO 0.03 -0.29 -0.06 -0.60 -0.54 0.00 0.00 174.62 173.16 1jd3 s ARG 126 N -4.02 1.30 -0.01 3.99 3.52 -1.26 0.29 118.95 122.75 1jd3 s ARG 126 Ca 0.22 -0.18 0.15 0.00 -0.13 0.00 0.00 55.73 55.79 1jd3 s ARG 126 Cb 0.05 -1.46 0.43 0.00 -1.56 0.00 0.00 34.95 32.41 1jd3 s ARG 126 CO 0.03 -0.29 1.36 -0.40 -0.81 0.00 0.00 175.30 175.19 1jd3 n ASP 127 N 4.99 3.35 -3.62 -2.12 5.68 -0.96 -4.97 116.55 118.91 1jd3 n ASP 127 Ca -0.11 -2.06 -0.01 0.00 -0.50 0.00 0.00 54.79 52.11 1jd3 n ASP 127 Cb 0.50 -0.34 -0.06 0.00 -1.14 0.00 0.00 41.12 40.08 1jd3 n ASP 127 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1jd3 s PHE 128 N -1.10 -0.48 -0.01 2.11 5.36 -1.25 -4.98 117.98 117.64 1jd3 s PHE 128 Ca 0.33 0.93 -0.00 0.00 -0.96 0.00 0.00 56.93 57.23 1jd3 s PHE 128 Cb 0.18 0.28 0.01 0.00 -0.34 0.00 0.00 43.02 43.15 1jd3 s PHE 128 CO 0.21 -0.24 0.01 -1.50 -1.46 0.00 0.00 175.22 172.25 1jd3 s ILE 129 N 1.38 -0.01 0.05 3.12 2.07 -1.26 -1.52 121.20 125.04 1jd3 s ILE 129 Ca -0.08 0.03 0.03 0.00 -1.41 0.00 0.00 60.65 59.22 1jd3 s ILE 129 Cb -0.03 -0.03 -0.03 0.00 0.13 0.00 0.00 42.46 42.50 1jd3 s ILE 129 CO -0.14 0.01 -0.09 -1.61 -1.91 0.00 0.00 174.94 171.20 1jd3 s GLU 130 N 0.16 0.61 -0.10 3.50 2.02 -0.38 -4.96 118.70 119.55 1jd3 s GLU 130 Ca -0.01 -0.84 -0.04 0.00 0.02 0.00 0.00 54.97 54.10 1jd3 s GLU 130 Cb -0.02 -0.41 -0.04 0.00 0.10 0.00 0.00 34.13 33.76 1jd3 s GLU 130 CO -0.00 0.08 0.07 0.42 0.02 0.00 0.00 175.26 175.85 1jd3 s ILE 131 N -1.48 4.93 0.27 -1.63 1.01 -1.26 -1.19 121.20 121.85 1jd3 s ILE 131 Ca -0.07 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.58 1jd3 s ILE 131 Cb -0.09 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 1jd3 s ILE 131 CO 0.01 0.60 0.06 -0.83 0.00 0.00 0.00 174.94 174.78 1jd3 s GLY 132 N -0.99 1.76 0.04 6.18 0.00 0.09 -2.45 107.32 111.95 1jd3 s GLY 132 Ca 0.15 -1.88 -0.16 0.00 0.00 0.00 0.00 44.72 42.82 1jd3 s GLY 132 CO 0.04 -1.67 0.36 1.09 0.00 0.00 0.00 173.10 172.92 1jd3 s ARG 133 N -3.95 0.86 -0.28 2.90 1.70 -0.57 -1.27 118.95 118.35 1jd3 s ARG 133 Ca 0.35 -0.42 -0.03 0.00 -0.47 0.00 0.00 55.73 55.16 1jd3 s ARG 133 Cb 0.07 0.38 0.16 0.00 -0.57 0.00 0.00 34.95 35.00 1jd3 s ARG 133 CO 0.13 -0.29 0.53 0.34 -1.08 0.00 0.00 175.30 174.93 1jd3 s ASP 134 N -2.01 -0.84 -0.96 -2.89 3.68 -0.61 -2.21 116.67 110.84 1jd3 s ASP 134 Ca -0.05 0.77 -0.09 0.00 2.13 0.00 0.00 52.55 55.31 1jd3 s ASP 134 Cb -0.01 1.84 -0.02 0.00 -1.45 0.00 0.00 42.92 43.28 1jd3 s ASP 134 CO -0.03 -0.27 0.77 0.00 0.13 0.00 0.00 175.17 175.78 1jd3 n ALA 135 N 5.41 -2.56 0.00 3.66 0.00 -1.26 -2.08 120.51 123.68 1jd3 n ALA 135 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1jd3 n ALA 135 Cb 0.50 -3.24 0.00 0.00 0.00 0.00 0.00 19.45 16.71 1jd3 n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jd3 n GLY 136 N -1.61 2.81 3.83 0.00 0.00 -1.26 -5.01 105.19 103.95 1jd3 n GLY 136 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1jd3 n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jd3 s LEU 137 N 0.00 4.04 0.09 0.99 1.43 -0.88 -5.07 118.68 119.27 1jd3 s LEU 137 Ca 0.00 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 1jd3 s LEU 137 Cb 0.00 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1jd3 s LEU 137 CO 0.00 0.22 0.20 0.26 0.23 0.00 0.00 176.35 177.26 1jd3 s TRP 138 N -1.33 3.43 0.33 0.29 0.52 -1.26 -1.57 118.94 119.34 1jd3 s TRP 138 Ca 0.28 0.18 -0.18 0.00 0.02 0.00 0.00 56.10 56.39 1jd3 s TRP 138 Cb -0.12 -1.70 0.04 0.00 -1.15 0.00 0.00 33.47 30.54 1jd3 s TRP 138 CO 0.20 0.56 0.78 0.20 0.02 0.00 0.00 176.95 178.70 1jd3 s GLY 139 N -2.66 0.15 0.13 0.98 0.00 -0.39 -1.29 107.32 104.23 1jd3 s GLY 139 Ca 0.34 -0.52 -0.17 0.00 0.00 0.00 0.00 44.72 44.37 1jd3 s GLY 139 CO 0.27 -0.10 0.43 1.09 0.00 0.00 0.00 173.10 174.79 1jd3 s ARG 140 N -2.99 1.11 -0.00 2.90 1.70 -0.57 -0.73 118.95 120.36 1jd3 s ARG 140 Ca 0.14 -0.69 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 1jd3 s ARG 140 Cb -0.05 0.49 0.01 0.00 -0.57 0.00 0.00 34.95 34.82 1jd3 s ARG 140 CO 0.09 -0.44 0.00 -0.98 -1.08 0.00 0.00 175.30 172.89 1jd3 s ARG 141 N -3.80 0.04 0.07 3.89 1.70 -0.33 -0.84 118.95 119.68 1jd3 s ARG 141 Ca 0.03 0.02 0.02 0.00 -0.47 0.00 0.00 55.73 55.33 1jd3 s ARG 141 Cb 0.01 -0.09 -0.03 0.00 -0.57 0.00 0.00 34.95 34.27 1jd3 s ARG 141 CO -0.12 -0.02 -0.06 -1.12 -1.08 0.00 0.00 175.30 172.90 1jd3 s SER 142 N 0.21 0.91 -0.30 -2.89 0.01 0.61 -1.25 113.70 111.00 1jd3 s SER 142 Ca -0.02 -0.81 -0.06 0.00 1.31 0.00 0.00 55.95 56.38 1jd3 s SER 142 Cb -0.03 0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.31 1jd3 s SER 142 CO -0.01 -0.37 0.06 -0.60 0.41 0.00 0.00 173.24 172.73 1jd3 s ARG 143 N -2.86 2.93 0.13 12.44 3.52 -0.57 -1.14 118.95 133.39 1jd3 s ARG 143 Ca 0.02 -0.96 0.04 0.00 -0.13 0.00 0.00 55.73 54.70 1jd3 s ARG 143 Cb -0.01 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 30.01 1jd3 s ARG 143 CO -0.03 -0.49 0.12 -0.51 -0.81 0.00 0.00 175.30 173.58 1jd3 s LEU 144 N 1.44 3.83 -0.12 -0.88 1.43 -0.52 -2.26 118.68 121.61 1jd3 s LEU 144 Ca 0.01 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 1jd3 s LEU 144 Cb -0.18 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.58 1jd3 s LEU 144 CO 0.01 0.11 -0.20 -0.13 0.23 0.00 0.00 176.35 176.38 1jd3 s ARG 145 N -2.82 2.70 -0.33 1.70 0.52 0.14 -1.71 118.95 119.15 1jd3 s ARG 145 Ca 0.30 -0.74 -0.09 0.00 -0.52 0.00 0.00 55.73 54.68 1jd3 s ARG 145 Cb -0.11 -2.17 0.01 0.00 0.52 0.00 0.00 34.95 33.20 1jd3 s ARG 145 CO 0.23 0.02 0.14 -0.51 0.02 0.00 0.00 175.30 175.20 1jd3 s LEU 146 N 0.75 4.21 -1.46 2.53 1.43 -0.19 -1.17 118.68 124.78 1jd3 s LEU 146 Ca -0.10 -0.76 -0.09 0.00 -1.03 0.00 0.00 54.13 52.15 1jd3 s LEU 146 Cb -0.16 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.14 1jd3 s LEU 146 CO 0.01 -0.26 0.88 -1.20 0.23 0.00 0.00 176.35 176.02 1jd3 n SER 147 N 4.94 -5.57 0.00 2.29 7.64 0.14 -0.45 113.62 122.61 1jd3 n SER 147 Ca -0.13 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.23 1jd3 n SER 147 Cb 0.48 -4.45 0.00 0.00 -1.01 0.00 0.00 64.21 59.22 1jd3 n SER 147 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jd3 n GLY 148 N -1.68 1.69 3.70 0.23 0.00 -1.26 -4.99 105.19 102.88 1jd3 n GLY 148 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1jd3 n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jd3 s LYS 149 N -0.04 4.18 0.50 1.61 1.02 0.40 -4.97 119.74 122.45 1jd3 s LYS 149 Ca 0.00 -0.07 -0.16 0.00 0.02 0.00 0.00 55.97 55.76 1jd3 s LYS 149 Cb 0.00 -3.47 -0.08 0.00 -0.52 0.00 0.00 37.83 33.76 1jd3 s LYS 149 CO 0.00 0.17 0.97 -1.25 -0.92 0.00 0.00 175.35 174.31 1jd3 s PRO 150 N 0.72 3.95 -0.05 -1.68 0.04 -1.26 -1.02 135.00 135.70 1jd3 s PRO 150 Ca 0.12 0.93 -0.20 0.00 0.04 0.00 0.00 61.00 61.89 1jd3 s PRO 150 Cb -0.13 -2.16 0.04 0.00 0.04 0.00 0.00 34.50 32.30 1jd3 s PRO 150 CO 0.03 -0.24 0.45 -0.48 0.04 0.00 0.00 177.00 176.79 1jd3 s LEU 151 N -4.01 0.29 -0.16 -3.56 0.05 -0.70 -4.21 118.68 106.39 1jd3 s LEU 151 Ca 0.58 0.41 -0.06 0.00 0.05 0.00 0.00 54.13 55.12 1jd3 s LEU 151 Cb -0.10 1.71 -0.04 0.00 -2.05 0.00 0.00 46.19 45.71 1jd3 s LEU 151 CO 0.30 -0.45 0.04 -0.22 -0.55 0.00 0.00 176.35 175.47 1jd3 s LEU 152 N -1.05 3.71 -0.11 1.48 1.98 -0.11 -1.44 118.68 123.15 1jd3 s LEU 152 Ca -0.11 0.08 0.02 0.00 -2.89 0.00 0.00 54.13 51.23 1jd3 s LEU 152 Cb -0.03 -1.91 0.01 0.00 0.66 0.00 0.00 46.19 44.92 1jd3 s LEU 152 CO 0.05 0.23 -0.16 -0.22 -1.89 0.00 0.00 176.35 174.36 1jd3 s LEU 153 N 0.05 1.75 -0.10 -0.68 2.96 -0.29 -0.72 118.68 121.65 1jd3 s LEU 153 Ca 0.04 -0.44 0.04 0.00 -0.22 0.00 0.00 54.13 53.56 1jd3 s LEU 153 Cb -0.12 -1.11 -0.00 0.00 0.50 0.00 0.00 46.19 45.46 1jd3 s LEU 153 CO 0.01 0.02 -0.24 -0.89 -1.32 0.00 0.00 176.35 173.93 1jd3 s THR 154 N 0.95 2.06 0.00 3.68 2.01 0.25 -0.29 115.64 124.31 1jd3 s THR 154 Ca -0.07 -1.02 0.06 0.00 0.31 0.00 0.00 61.69 60.96 1jd3 s THR 154 Cb -0.15 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.57 1jd3 s THR 154 CO -0.01 0.56 -0.18 -1.61 -0.69 0.00 0.00 174.62 172.69 1jd3 s GLU 155 N 0.29 1.40 -0.14 4.92 2.02 -0.02 -1.19 118.70 125.98 1jd3 s GLU 155 Ca -0.17 -0.73 0.01 0.00 0.02 0.00 0.00 54.97 54.10 1jd3 s GLU 155 Cb -0.18 -1.40 0.00 0.00 0.10 0.00 0.00 34.13 32.66 1jd3 s GLU 155 CO 0.08 0.37 -0.19 -1.17 0.02 0.00 0.00 175.26 174.38 1jd3 s LEU 156 N -0.66 2.31 -0.36 1.80 2.96 0.12 -1.51 118.68 123.34 1jd3 s LEU 156 Ca 0.07 -0.53 -0.20 0.00 -0.22 0.00 0.00 54.13 53.25 1jd3 s LEU 156 Cb -0.07 -1.51 0.00 0.00 0.50 0.00 0.00 46.19 45.11 1jd3 s LEU 156 CO 0.00 0.09 0.62 -0.36 -1.32 0.00 0.00 176.35 175.38 1jd3 s PHE 157 N 0.76 3.15 0.47 5.38 0.40 -0.41 -1.39 117.98 126.33 1jd3 s PHE 157 Ca -0.07 0.30 -0.21 0.00 -0.60 0.00 0.00 56.93 56.35 1jd3 s PHE 157 Cb -0.16 -3.12 -0.09 0.00 0.51 0.00 0.00 43.02 40.17 1jd3 s PHE 157 CO 0.00 -0.63 1.04 -0.51 0.70 0.00 0.00 175.22 175.82 1jd3 s LEU 158 N 2.67 3.90 0.55 -0.37 1.43 -0.56 -4.38 118.68 121.92 1jd3 s LEU 158 Ca 0.23 1.94 0.34 0.00 -1.03 0.00 0.00 54.13 55.61 1jd3 s LEU 158 Cb -0.15 -4.49 1.49 0.00 0.03 0.00 0.00 46.19 43.07 1jd3 s LEU 158 CO 0.15 -0.71 1.81 -0.65 0.23 0.00 0.00 176.35 177.18 1jd3 h PRO 159 N 1.74 0.00 0.00 1.29 0.11 -1.91 0.16 132.00 133.39 1jd3 h PRO 159 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1jd3 h PRO 159 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1jd3 h PRO 159 CO 0.60 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.39 1jd3 h ALA 160 N 1.40 1.00 -2.35 -0.75 0.00 -1.89 -3.44 119.26 113.23 1jd3 h ALA 160 Ca 0.47 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.86 1jd3 h ALA 160 Cb 1.98 0.00 0.13 0.00 0.00 0.00 0.00 17.79 19.90 1jd3 h ALA 160 CO -0.00 0.00 0.33 -1.54 0.00 0.00 0.00 179.25 178.03 1jd3 s SER 161 N -4.82 4.56 0.00 0.00 1.04 0.56 -4.92 113.70 110.11 1jd3 s SER 161 Ca 0.06 1.89 0.04 0.00 0.48 0.00 0.00 55.95 58.42 1jd3 s SER 161 Cb 0.10 -2.53 0.23 0.00 0.10 0.00 0.00 66.02 63.91 1jd3 s SER 161 CO 0.52 -2.00 0.58 -2.65 0.98 0.00 0.00 173.24 170.67 1jd3 n PRO 162 N -3.29 0.21 0.08 4.02 -0.02 -1.26 -2.71 135.00 132.03 1jd3 n PRO 162 Ca 0.10 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.70 1jd3 n PRO 162 Cb 0.53 -1.29 0.24 0.00 -0.02 0.00 0.00 33.50 32.96 1jd3 n PRO 162 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1jd3 n LEU 163 N -0.79 0.75 -0.74 2.45 4.32 -1.26 -5.12 117.00 116.61 1jd3 n LEU 163 Ca 0.03 0.33 0.09 0.00 -0.02 0.00 0.00 56.01 56.45 1jd3 n LEU 163 Cb 0.01 -0.22 0.08 0.00 -1.62 0.00 0.00 43.42 41.67 1jd3 n LEU 163 CO 0.02 -0.10 0.54 -1.22 -1.22 0.00 0.00 177.39 175.42