#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jc5 n GLU 4 N 0.00 -2.18 -2.86 -3.83 0.00 -1.26 -5.13 120.64 105.38 1jc5 n GLU 4 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.75 1jc5 n GLU 4 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.40 1jc5 n GLU 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1jc5 s ASP 5 N -1.87 7.11 0.13 -1.84 1.01 -1.26 -4.93 116.67 115.02 1jc5 s ASP 5 Ca 0.00 1.35 0.21 0.00 0.71 0.00 0.00 52.55 54.83 1jc5 s ASP 5 Cb 0.00 -2.49 -0.09 0.00 1.01 0.00 0.00 42.92 41.36 1jc5 s ASP 5 CO 0.00 -0.29 0.89 0.18 0.21 0.00 0.00 175.17 176.16 1jc5 n LEU 6 N 4.45 0.69 -4.20 1.23 4.77 -1.26 -4.91 117.00 117.77 1jc5 n LEU 6 Ca 0.04 0.27 -0.31 0.00 -0.03 0.00 0.00 56.01 55.98 1jc5 n LEU 6 Cb 0.50 -0.02 -0.17 0.00 -2.33 0.00 0.00 43.42 41.40 1jc5 n LEU 6 CO 0.49 -0.09 -0.55 -0.36 -1.33 0.00 0.00 177.39 175.55 1jc5 s PHE 7 N -3.31 2.42 0.02 -1.77 0.08 -1.26 -4.55 117.98 109.60 1jc5 s PHE 7 Ca -0.02 -0.97 -0.21 0.00 0.12 0.00 0.00 56.93 55.85 1jc5 s PHE 7 Cb 0.10 -1.63 -0.18 0.00 -0.57 0.00 0.00 43.02 40.75 1jc5 s PHE 7 CO 0.82 -0.39 1.24 0.82 -0.10 0.00 0.00 175.22 177.60 1jc5 h ILE 8 N 5.71 1.40 -1.50 0.64 2.04 -1.38 -3.49 117.51 120.93 1jc5 h ILE 8 Ca -0.21 -1.61 0.36 0.00 1.00 0.00 0.00 64.86 64.40 1jc5 h ILE 8 Cb 1.23 2.18 -0.11 0.00 -0.74 0.00 0.00 36.82 39.38 1jc5 h ILE 8 CO 0.47 0.47 0.90 0.00 0.00 0.00 0.00 178.15 179.99 1jc5 s ILE 10 N -2.19 4.14 0.00 0.00 1.01 -1.26 -0.96 121.20 121.93 1jc5 s ILE 10 Ca 0.19 1.29 -0.25 0.00 0.00 0.00 0.00 60.65 61.88 1jc5 s ILE 10 Cb 0.04 -4.13 -0.18 0.00 0.01 0.00 0.00 42.46 38.20 1jc5 s ILE 10 CO -0.04 -0.44 1.30 -0.78 0.00 0.00 0.00 174.94 174.98 1jc5 h ASP 11 N 9.26 -0.11 -4.94 3.58 3.58 -0.72 -3.37 116.42 123.71 1jc5 h ASP 11 Ca -0.26 -0.33 0.03 0.00 0.42 0.00 0.00 57.03 56.89 1jc5 h ASP 11 Cb 1.10 0.03 -0.12 0.00 1.72 0.00 0.00 39.33 42.06 1jc5 h ASP 11 CO 1.03 0.28 0.29 -1.38 -2.88 0.00 0.00 179.24 176.58 1jc5 s HIS 12 N -4.59 -0.43 -0.16 0.28 -3.43 -1.12 -1.76 115.29 104.08 1jc5 s HIS 12 Ca -0.15 0.20 -0.01 0.00 -0.80 0.00 0.00 55.06 54.30 1jc5 s HIS 12 Cb 0.02 0.58 -0.01 0.00 -1.43 0.00 0.00 32.58 31.74 1jc5 s HIS 12 CO 0.63 -0.84 -0.11 0.08 -2.00 0.00 0.00 174.74 172.49 1jc5 s VAL 13 N -3.62 3.01 -0.06 -5.38 1.01 -0.25 -0.15 120.40 114.96 1jc5 s VAL 13 Ca 0.04 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 1jc5 s VAL 13 Cb -0.02 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 1jc5 s VAL 13 CO -0.09 0.50 0.40 0.00 0.00 0.00 0.00 175.10 175.91 1jc5 s ALA 14 N 0.81 3.63 -0.25 5.51 0.00 0.09 -0.23 121.76 131.33 1jc5 s ALA 14 Ca -0.04 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 51.68 1jc5 s ALA 14 Cb -0.15 -2.45 0.05 0.00 0.00 0.00 0.00 23.12 20.57 1jc5 s ALA 14 CO 0.01 0.30 -0.11 -0.47 0.00 0.00 0.00 175.76 175.49 1jc5 s TYR 15 N -0.41 3.14 -0.01 0.00 5.04 0.31 0.39 117.35 125.81 1jc5 s TYR 15 Ca 0.23 -2.04 -0.17 0.00 -2.44 0.00 0.00 57.07 52.64 1jc5 s TYR 15 Cb -0.16 -1.96 -0.06 0.00 0.35 0.00 0.00 41.96 40.14 1jc5 s TYR 15 CO 0.11 -0.84 0.49 0.00 -1.34 0.00 0.00 175.55 173.97 1jc5 s ALA 16 N 1.18 3.59 0.24 3.97 0.00 -0.22 -0.77 121.76 129.76 1jc5 s ALA 16 Ca -0.05 -0.11 -0.14 0.00 0.00 0.00 0.00 51.96 51.66 1jc5 s ALA 16 Cb -0.18 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.38 1jc5 s ALA 16 CO -0.06 0.31 0.50 0.00 0.00 0.00 0.00 175.76 176.51 1jc5 h PRO 18 N 2.24 0.00 -2.90 0.00 0.13 -1.90 -3.35 132.00 126.22 1jc5 h PRO 18 Ca -0.26 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.36 1jc5 h PRO 18 Cb 1.25 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.98 1jc5 h PRO 18 CO 0.35 0.27 -0.77 0.34 -0.23 0.00 0.00 178.00 177.96 1jc5 s ASP 19 N -6.27 3.13 0.44 1.44 -1.08 -1.26 -4.55 116.67 108.52 1jc5 s ASP 19 Ca 0.03 -1.05 0.18 0.00 -0.52 0.00 0.00 52.55 51.19 1jc5 s ASP 19 Cb 0.08 -0.32 1.02 0.00 -1.46 0.00 0.00 42.92 42.24 1jc5 s ASP 19 CO 0.68 -0.41 1.95 0.00 0.52 0.00 0.00 175.17 177.91 1jc5 h ALA 20 N 8.41 1.44 0.41 3.66 0.00 -1.88 -2.30 119.26 128.99 1jc5 h ALA 20 Ca -0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1jc5 h ALA 20 Cb 1.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1jc5 h ALA 20 CO 0.39 0.29 -0.20 -0.44 0.00 0.00 0.00 179.25 179.29 1jc5 h ASP 21 N 0.00 -0.46 -0.68 0.00 3.32 -1.98 -1.46 116.42 115.16 1jc5 h ASP 21 Ca -0.00 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 1jc5 h ASP 21 Cb 0.47 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 1jc5 h ASP 21 CO 0.03 -0.22 0.28 -0.08 -1.72 0.00 0.00 179.24 177.54 1jc5 h GLU 22 N -0.70 1.03 -0.43 3.56 4.81 -1.96 -1.64 114.58 119.24 1jc5 h GLU 22 Ca -0.06 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 1jc5 h GLU 22 Cb 0.50 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1jc5 h GLU 22 CO 0.09 0.83 0.13 0.00 -0.73 0.00 0.00 179.01 179.33 1jc5 h ALA 23 N 1.30 0.56 -0.23 2.92 0.00 -1.35 -1.81 119.26 120.65 1jc5 h ALA 23 Ca 0.24 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1jc5 h ALA 23 Cb 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1jc5 h ALA 23 CO -0.02 0.22 0.08 1.03 0.00 0.00 0.00 179.25 180.56 1jc5 h SER 24 N 0.55 0.33 -0.87 0.00 0.87 -0.98 -0.89 113.55 112.57 1jc5 h SER 24 Ca 0.14 -0.19 0.04 0.00 -1.23 0.00 0.00 61.79 60.55 1jc5 h SER 24 Cb 0.28 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 1jc5 h SER 24 CO -0.00 0.43 0.56 0.11 -0.53 0.00 0.00 176.83 177.40 1jc5 h LYS 25 N 0.22 1.04 0.06 2.24 1.57 -1.26 -1.01 116.57 119.43 1jc5 h LYS 25 Ca 0.08 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1jc5 h LYS 25 Cb 0.21 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1jc5 h LYS 25 CO -0.00 0.69 -0.03 -0.92 -0.57 0.00 0.00 179.45 178.62 1jc5 h TYR 26 N 1.08 -0.08 -0.34 -1.35 3.20 -1.09 -0.57 116.97 117.82 1jc5 h TYR 26 Ca 0.36 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.32 1jc5 h TYR 26 Cb 0.04 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1jc5 h TYR 26 CO -0.02 0.04 0.26 1.88 -1.64 0.00 0.00 178.16 178.68 1jc5 h TYR 27 N -0.18 0.00 0.00 -3.82 -1.99 -0.55 0.11 116.97 110.54 1jc5 h TYR 27 Ca -0.01 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 1jc5 h TYR 27 Cb 0.15 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.88 1jc5 h TYR 27 CO -0.04 0.00 -0.26 1.96 -0.00 0.00 0.00 178.16 179.82 1jc5 h GLN 28 N 0.00 0.00 -0.19 4.88 4.20 -0.86 0.27 115.11 123.41 1jc5 h GLN 28 Ca 0.16 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.76 1jc5 h GLN 28 Cb 0.67 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.45 1jc5 h GLN 28 CO -0.00 0.33 -0.31 0.93 -0.67 0.00 0.00 178.83 179.10 1jc5 h GLU 29 N -1.00 0.54 0.04 1.46 5.08 -0.99 -0.08 114.58 119.63 1jc5 h GLU 29 Ca -0.04 -0.33 -0.12 0.00 -1.00 0.00 0.00 59.36 57.86 1jc5 h GLU 29 Cb 0.48 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1jc5 h GLU 29 CO -0.02 0.94 -0.62 1.15 -1.00 0.00 0.00 179.01 179.46 1jc5 h THR 30 N 0.20 1.45 0.00 1.13 2.02 -0.98 -3.39 112.91 113.35 1jc5 h THR 30 Ca 0.01 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.84 1jc5 h THR 30 Cb 0.90 3.01 0.00 0.00 -1.74 0.00 0.00 68.15 70.32 1jc5 h THR 30 CO 0.07 0.58 -0.94 0.49 0.37 0.00 0.00 175.52 176.09 1jc5 n PHE 31 N -4.39 0.36 -1.12 3.16 3.72 -1.17 -4.97 117.46 113.06 1jc5 n PHE 31 Ca -0.18 0.10 -0.04 0.00 -0.05 0.00 0.00 57.45 57.29 1jc5 n PHE 31 Cb 0.64 -0.51 -0.02 0.00 -0.94 0.00 0.00 39.48 38.66 1jc5 n PHE 31 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jc5 n GLY 32 N 1.35 0.68 3.83 1.37 0.00 -0.04 -4.94 105.19 107.43 1jc5 n GLY 32 Ca 0.02 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 1jc5 n GLY 32 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jc5 s TRP 33 N -2.06 2.78 -0.06 1.61 0.52 0.84 -4.89 118.94 117.68 1jc5 s TRP 33 Ca 0.00 0.93 0.04 0.00 0.02 0.00 0.00 56.10 57.09 1jc5 s TRP 33 Cb 0.00 -3.31 -0.02 0.00 -1.15 0.00 0.00 33.47 28.99 1jc5 s TRP 33 CO 0.00 -1.96 -0.17 -1.01 0.02 0.00 0.00 176.95 173.83 1jc5 s HIS 34 N -3.32 2.63 -0.26 -1.98 3.76 0.61 -4.09 115.29 112.63 1jc5 s HIS 34 Ca 0.62 -0.32 -0.20 0.00 -0.15 0.00 0.00 55.06 55.01 1jc5 s HIS 34 Cb -0.13 -1.63 -0.02 0.00 1.11 0.00 0.00 32.58 31.90 1jc5 s HIS 34 CO 0.52 0.06 0.61 -2.00 -0.85 0.00 0.00 174.74 173.08 1jc5 s GLU 35 N -0.51 4.07 -0.12 1.40 2.12 -1.26 -0.63 118.70 123.76 1jc5 s GLU 35 Ca 0.07 0.47 0.19 0.00 0.36 0.00 0.00 54.97 56.06 1jc5 s GLU 35 Cb -0.12 -3.66 -0.27 0.00 0.26 0.00 0.00 34.13 30.34 1jc5 s GLU 35 CO 0.01 -0.43 0.23 1.28 -0.54 0.00 0.00 175.26 175.82 1jc5 n LEU 36 N 5.71 0.00 -3.57 2.70 4.77 0.23 -5.00 117.00 121.84 1jc5 n LEU 36 Ca -0.01 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.83 1jc5 n LEU 36 Cb 0.49 0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.79 1jc5 n LEU 36 CO 0.43 0.27 0.59 -2.28 -1.33 0.00 0.00 177.39 175.07 1jc5 s HIS 37 N -2.88 -0.56 -0.01 -1.77 5.04 -1.22 -4.99 115.29 108.90 1jc5 s HIS 37 Ca -0.09 1.09 0.02 0.00 -1.54 0.00 0.00 55.06 54.55 1jc5 s HIS 37 Cb 0.09 0.39 -0.00 0.00 0.04 0.00 0.00 32.58 33.10 1jc5 s HIS 37 CO 0.81 -0.43 -0.07 0.50 -2.34 0.00 0.00 174.74 173.21 1jc5 s ARG 38 N -0.71 0.64 -0.05 2.88 3.52 -1.26 0.04 118.95 124.01 1jc5 s ARG 38 Ca -0.04 -0.25 -0.06 0.00 -0.13 0.00 0.00 55.73 55.26 1jc5 s ARG 38 Cb -0.02 -0.62 0.01 0.00 -1.56 0.00 0.00 34.95 32.77 1jc5 s ARG 38 CO 0.04 0.13 0.15 -1.21 -0.81 0.00 0.00 175.30 173.59 1jc5 s GLU 39 N -0.04 0.22 -0.12 5.12 2.02 0.13 -5.01 118.70 121.03 1jc5 s GLU 39 Ca 0.01 0.13 0.02 0.00 0.02 0.00 0.00 54.97 55.14 1jc5 s GLU 39 Cb -0.04 0.10 0.01 0.00 0.10 0.00 0.00 34.13 34.30 1jc5 s GLU 39 CO -0.00 -0.03 -0.17 -2.00 0.02 0.00 0.00 175.26 173.08 1jc5 s GLU 40 N -0.12 2.40 -0.34 1.61 2.12 -1.26 -0.77 118.70 122.34 1jc5 s GLU 40 Ca -0.02 -0.63 -0.02 0.00 0.36 0.00 0.00 54.97 54.66 1jc5 s GLU 40 Cb -0.02 -2.02 0.07 0.00 0.26 0.00 0.00 34.13 32.43 1jc5 s GLU 40 CO 0.00 -0.05 0.08 1.21 -0.54 0.00 0.00 175.26 175.96 1jc5 s ASN 41 N 0.95 5.03 0.10 -1.70 3.84 -0.02 -5.01 114.94 118.13 1jc5 s ASN 41 Ca -0.07 -1.59 -0.26 0.00 0.21 0.00 0.00 52.86 51.15 1jc5 s ASN 41 Cb -0.15 -1.75 -0.11 0.00 -0.55 0.00 0.00 41.25 38.69 1jc5 s ASN 41 CO -0.02 -0.37 1.66 -0.65 -2.79 0.00 0.00 177.10 174.94 1jc5 h PRO 42 N 8.00 -0.38 -0.15 0.43 0.11 -1.97 0.24 132.00 138.28 1jc5 h PRO 42 Ca -0.17 0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.01 1jc5 h PRO 42 Cb 1.05 0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 1jc5 h PRO 42 CO 0.59 -0.25 -0.22 1.49 -0.21 0.00 0.00 178.00 179.40 1jc5 h GLU 43 N -0.40 -0.26 0.00 1.05 4.81 -1.97 -1.54 114.58 116.27 1jc5 h GLU 43 Ca 0.01 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1jc5 h GLU 43 Cb 0.39 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 1jc5 h GLU 43 CO -0.08 -0.17 -0.09 1.96 -0.73 0.00 0.00 179.01 179.91 1jc5 h GLN 44 N -0.27 0.00 -3.31 1.92 4.20 -1.98 -3.47 115.11 112.20 1jc5 h GLN 44 Ca 0.11 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.58 1jc5 h GLN 44 Cb 0.42 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.26 1jc5 h GLN 44 CO -0.30 0.09 -0.37 0.41 -0.67 0.00 0.00 178.83 177.98 1jc5 n GLY 45 N 0.12 0.03 3.03 3.46 0.00 0.80 -4.42 105.19 108.20 1jc5 n GLY 45 Ca 0.01 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 1jc5 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jc5 s VAL 46 N -3.05 0.52 -0.12 1.61 1.01 -0.98 -0.73 120.40 118.67 1jc5 s VAL 46 Ca 0.26 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1jc5 s VAL 46 Cb -0.11 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 1jc5 s VAL 46 CO 0.32 -0.18 -0.19 0.54 0.00 0.00 0.00 175.10 175.59 1jc5 s VAL 47 N -0.90 2.55 -0.04 2.92 0.11 -0.72 -0.84 120.40 123.49 1jc5 s VAL 47 Ca -0.05 -0.84 0.05 0.00 -2.93 0.00 0.00 61.98 58.21 1jc5 s VAL 47 Cb -0.07 -2.03 -0.01 0.00 -1.53 0.00 0.00 36.38 32.74 1jc5 s VAL 47 CO 0.00 0.54 -0.19 -1.61 -3.33 0.00 0.00 175.10 170.51 1jc5 s GLU 48 N 0.37 1.81 -0.12 1.54 2.02 0.05 -1.74 118.70 122.62 1jc5 s GLU 48 Ca -0.15 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.17 1jc5 s GLU 48 Cb -0.17 -1.62 0.02 0.00 0.10 0.00 0.00 34.13 32.46 1jc5 s GLU 48 CO 0.07 0.32 -0.11 0.42 0.02 0.00 0.00 175.26 175.98 1jc5 s ILE 49 N -0.16 1.30 -0.23 -1.63 1.01 0.20 -0.69 121.20 121.00 1jc5 s ILE 49 Ca 0.00 -0.48 -0.23 0.00 0.00 0.00 0.00 60.65 59.95 1jc5 s ILE 49 Cb -0.10 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 1jc5 s ILE 49 CO 0.01 0.41 0.73 -0.04 0.00 0.00 0.00 174.94 176.06 1jc5 s MET 50 N 1.45 4.18 0.07 2.79 -1.94 0.11 -0.65 119.30 125.31 1jc5 s MET 50 Ca 0.02 0.77 0.06 0.00 -1.71 0.00 0.00 55.69 54.83 1jc5 s MET 50 Cb -0.13 -3.63 -0.04 0.00 2.01 0.00 0.00 34.83 33.04 1jc5 s MET 50 CO -0.07 -0.42 -0.09 -1.64 -0.01 0.00 0.00 175.02 172.79 1jc5 s MET 51 N 2.51 2.27 0.03 2.03 1.00 0.28 -0.60 119.30 126.82 1jc5 s MET 51 Ca 0.31 -0.93 0.02 0.00 0.00 0.00 0.00 55.69 55.10 1jc5 s MET 51 Cb -0.16 -2.37 -0.02 0.00 0.00 0.00 0.00 34.83 32.29 1jc5 s MET 51 CO 0.09 0.54 -0.07 0.00 0.00 0.00 0.00 175.02 175.58 1jc5 s ALA 52 N -1.14 0.50 -0.83 3.03 0.00 0.20 -1.32 121.76 122.19 1jc5 s ALA 52 Ca 0.20 -0.61 0.17 0.00 0.00 0.00 0.00 51.96 51.72 1jc5 s ALA 52 Cb -0.11 0.01 0.72 0.00 0.00 0.00 0.00 23.12 23.74 1jc5 s ALA 52 CO 0.12 0.00 1.53 -0.35 0.00 0.00 0.00 175.76 177.07 1jc5 n PRO 53 N 1.87 0.06 -4.02 0.00 -0.04 -1.26 -0.28 135.00 131.32 1jc5 n PRO 53 Ca -0.20 0.31 -0.08 0.00 -0.04 0.00 0.00 63.50 63.49 1jc5 n PRO 53 Cb 0.56 -1.62 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 1jc5 n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jc5 s ALA 54 N -3.10 0.27 0.26 0.55 0.00 -1.26 -4.77 121.76 113.70 1jc5 s ALA 54 Ca 0.06 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.14 1jc5 s ALA 54 Cb 0.09 0.21 0.41 0.00 0.00 0.00 0.00 23.12 23.83 1jc5 s ALA 54 CO 0.30 -0.27 1.85 0.00 0.00 0.00 0.00 175.76 177.64 1jc5 h ALA 55 N 3.91 1.30 -3.28 0.00 0.00 -1.95 -3.40 119.26 115.84 1jc5 h ALA 55 Ca -0.33 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 53.92 1jc5 h ALA 55 Cb 1.18 -0.22 -0.30 0.00 0.00 0.00 0.00 17.79 18.44 1jc5 h ALA 55 CO 0.53 0.27 -0.81 0.15 0.00 0.00 0.00 179.25 179.38 1jc5 s LYS 56 N -6.03 3.22 0.30 0.00 1.02 -1.26 -5.03 119.74 111.96 1jc5 s LYS 56 Ca -0.12 -0.77 -0.29 0.00 0.02 0.00 0.00 55.97 54.81 1jc5 s LYS 56 Cb 0.20 -2.53 -0.10 0.00 -0.52 0.00 0.00 37.83 34.88 1jc5 s LYS 56 CO 0.80 0.13 1.17 -0.51 -0.92 0.00 0.00 175.35 176.02 1jc5 s LEU 57 N 0.52 4.51 0.40 3.17 1.43 -1.26 -5.05 118.68 122.40 1jc5 s LEU 57 Ca -0.11 2.42 0.03 0.00 -1.03 0.00 0.00 54.13 55.43 1jc5 s LEU 57 Cb -0.16 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.42 1jc5 s LEU 57 CO 0.04 -0.28 0.59 0.42 0.23 0.00 0.00 176.35 177.36 1jc5 s THR 58 N -1.16 4.02 0.25 5.49 -4.23 -1.26 -4.98 115.64 113.78 1jc5 s THR 58 Ca 0.46 -0.70 -0.10 0.00 -1.18 0.00 0.00 61.69 60.18 1jc5 s THR 58 Cb -0.35 -3.45 0.37 0.00 1.34 0.00 0.00 72.50 70.41 1jc5 s THR 58 CO 0.45 -0.26 1.59 -0.08 -0.54 0.00 0.00 174.62 175.78 1jc5 h GLU 59 N 0.59 0.00 -0.68 3.99 4.81 -2.06 -1.68 114.58 119.56 1jc5 h GLU 59 Ca -0.46 -0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.40 1jc5 h GLU 59 Cb 1.25 -0.00 -0.22 0.00 0.63 0.00 0.00 28.75 30.42 1jc5 h GLU 59 CO 0.56 0.00 0.27 0.72 -0.73 0.00 0.00 179.01 179.83 1jc5 n HIS 60 N -5.54 2.12 -2.72 0.92 8.25 -1.26 -4.98 115.22 112.02 1jc5 n HIS 60 Ca 0.13 -1.82 -0.43 0.00 -0.26 0.00 0.00 57.72 55.34 1jc5 n HIS 60 Cb 0.44 -0.74 -0.03 0.00 1.12 0.00 0.00 29.99 30.78 1jc5 n HIS 60 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1jc5 s MET 61 N -3.32 3.96 0.25 -0.41 1.75 -0.63 -4.85 119.30 116.04 1jc5 s MET 61 Ca 0.51 0.83 -0.30 0.00 -1.25 0.00 0.00 55.69 55.49 1jc5 s MET 61 Cb 0.45 -3.77 -0.09 0.00 2.84 0.00 0.00 34.83 34.25 1jc5 s MET 61 CO 0.05 -0.94 1.10 0.99 -0.65 0.00 0.00 175.02 175.57 1jc5 s THR 62 N 3.60 3.59 0.40 10.11 2.01 -1.26 -4.84 115.64 129.24 1jc5 s THR 62 Ca 0.42 1.53 0.08 0.00 0.31 0.00 0.00 61.69 64.03 1jc5 s THR 62 Cb -0.12 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 1jc5 s THR 62 CO 0.17 0.34 0.27 -1.10 -0.69 0.00 0.00 174.62 173.62 1jc5 s GLN 63 N -1.14 2.43 -0.18 4.92 -0.21 -0.72 -4.72 119.66 120.03 1jc5 s GLN 63 Ca 0.46 -1.62 -0.03 0.00 0.02 0.00 0.00 55.36 54.19 1jc5 s GLN 63 Cb -0.31 -2.23 -0.01 0.00 1.00 0.00 0.00 33.01 31.45 1jc5 s GLN 63 CO 0.39 -0.10 -0.07 0.08 -2.12 0.00 0.00 175.29 173.48 1jc5 s VAL 64 N -2.49 3.40 -0.38 1.09 1.01 -0.44 -1.10 120.40 121.50 1jc5 s VAL 64 Ca 0.44 -0.51 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 1jc5 s VAL 64 Cb -0.01 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.87 1jc5 s VAL 64 CO 0.25 0.47 0.27 -1.58 0.00 0.00 0.00 175.10 174.51 1jc5 s GLN 65 N 0.91 3.20 -0.19 2.72 0.74 0.68 -0.56 119.66 127.17 1jc5 s GLN 65 Ca -0.01 -0.86 -0.23 0.00 0.05 0.00 0.00 55.36 54.32 1jc5 s GLN 65 Cb -0.15 -3.90 -0.02 0.00 1.10 0.00 0.00 33.01 30.05 1jc5 s GLN 65 CO 0.01 -0.61 0.72 0.08 -0.55 0.00 0.00 175.29 174.93 1jc5 s VAL 66 N 1.70 4.96 -0.03 1.34 1.01 0.18 -0.53 120.40 129.02 1jc5 s VAL 66 Ca 0.05 1.38 0.05 0.00 0.00 0.00 0.00 61.98 63.46 1jc5 s VAL 66 Cb -0.18 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1jc5 s VAL 66 CO 0.10 0.07 -0.18 0.00 0.00 0.00 0.00 175.10 175.09 1jc5 s MET 67 N 2.04 1.66 0.08 2.72 0.23 0.05 -0.63 119.30 125.46 1jc5 s MET 67 Ca 0.33 -0.63 0.02 0.00 -1.03 0.00 0.00 55.69 54.37 1jc5 s MET 67 Cb -0.16 -1.51 -0.04 0.00 -1.53 0.00 0.00 34.83 31.59 1jc5 s MET 67 CO 0.11 0.31 -0.07 0.00 -2.03 0.00 0.00 175.02 173.35 1jc5 s ALA 68 N -0.17 0.82 0.31 3.16 0.00 -0.71 -0.86 121.76 124.31 1jc5 s ALA 68 Ca 0.01 -1.17 -0.16 0.00 0.00 0.00 0.00 51.96 50.64 1jc5 s ALA 68 Cb -0.10 0.14 -0.09 0.00 0.00 0.00 0.00 23.12 23.07 1jc5 s ALA 68 CO 0.01 -0.19 0.74 -1.25 0.00 0.00 0.00 175.76 175.07 1jc5 s PRO 69 N -3.21 4.05 -0.04 0.00 0.04 -1.26 -1.75 135.00 132.82 1jc5 s PRO 69 Ca 0.05 0.71 0.22 0.00 0.04 0.00 0.00 61.00 62.02 1jc5 s PRO 69 Cb 0.01 -2.50 -0.32 0.00 0.04 0.00 0.00 34.50 31.74 1jc5 s PRO 69 CO -0.04 0.19 0.46 1.28 0.04 0.00 0.00 177.00 178.94 1jc5 n LEU 70 N -0.20 0.04 -3.57 -3.56 4.77 0.10 -4.86 117.00 109.72 1jc5 n LEU 70 Ca 0.03 0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 1jc5 n LEU 70 Cb 0.53 0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.63 1jc5 n LEU 70 CO 0.42 0.04 0.23 0.54 -1.33 0.00 0.00 177.39 177.29 1jc5 s ASN 71 N -4.66 -0.34 0.59 -1.43 2.20 -1.25 -5.04 114.94 105.01 1jc5 s ASN 71 Ca -0.08 -0.18 0.39 0.00 -0.94 0.00 0.00 52.86 52.05 1jc5 s ASN 71 Cb 0.13 0.51 2.03 0.00 -2.00 0.00 0.00 41.25 41.91 1jc5 s ASN 71 CO 0.90 -0.87 2.19 0.44 -2.94 0.00 0.00 177.10 176.82 1jc5 h ASP 72 N 2.32 0.00 0.21 3.54 3.32 -1.94 -2.67 116.42 121.20 1jc5 h ASP 72 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1jc5 h ASP 72 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1jc5 h ASP 72 CO 0.44 0.00 -0.12 -1.84 -1.72 0.00 0.00 179.24 176.00 1jc5 n GLU 73 N -2.96 0.98 -1.16 3.56 0.00 -1.26 -4.40 120.64 115.40 1jc5 n GLU 73 Ca -0.02 -0.47 -0.31 0.00 0.00 0.00 0.00 57.16 56.37 1jc5 n GLU 73 Cb 0.12 -1.49 0.11 0.00 0.00 0.00 0.00 31.44 30.18 1jc5 n GLU 73 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1jc5 s SER 74 N -2.34 4.05 0.27 -1.84 1.04 -1.01 -4.90 113.70 108.97 1jc5 s SER 74 Ca 0.31 1.82 -0.01 0.00 0.48 0.00 0.00 55.95 58.55 1jc5 s SER 74 Cb 0.20 -2.47 0.36 0.00 0.10 0.00 0.00 66.02 64.21 1jc5 s SER 74 CO 0.45 -2.32 1.76 0.74 0.98 0.00 0.00 173.24 174.84 1jc5 h THR 75 N -1.33 1.24 -0.38 2.02 2.02 -1.89 -2.68 112.91 111.91 1jc5 h THR 75 Ca -0.45 -1.03 -0.04 0.00 0.77 0.00 0.00 66.41 65.66 1jc5 h THR 75 Cb 1.25 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 1jc5 h THR 75 CO 0.50 0.36 0.09 0.58 0.37 0.00 0.00 175.52 177.42 1jc5 h VAL 76 N 0.68 1.22 -0.84 3.16 2.07 -1.91 -1.47 116.25 119.16 1jc5 h VAL 76 Ca 0.13 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1jc5 h VAL 76 Cb 0.48 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1jc5 h VAL 76 CO 0.02 0.26 0.47 0.00 0.02 0.00 0.00 177.57 178.35 1jc5 h ALA 77 N 0.94 1.07 -0.34 1.67 0.00 -1.80 0.68 119.26 121.48 1jc5 h ALA 77 Ca 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1jc5 h ALA 77 Cb 0.30 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1jc5 h ALA 77 CO 0.00 0.57 0.19 0.87 0.00 0.00 0.00 179.25 180.88 1jc5 h LYS 78 N 1.17 0.47 -0.17 0.00 1.79 -1.27 0.12 116.57 118.67 1jc5 h LYS 78 Ca 0.30 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1jc5 h LYS 78 Cb 0.02 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 1jc5 h LYS 78 CO -0.05 0.38 0.10 2.35 -1.08 0.00 0.00 179.45 181.15 1jc5 h TRP 79 N 0.42 0.23 -0.57 -1.35 7.01 -0.89 -0.84 115.95 119.95 1jc5 h TRP 79 Ca 0.12 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.14 1jc5 h TRP 79 Cb 0.05 -0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 27.00 1jc5 h TRP 79 CO -0.03 0.20 0.35 -0.07 -2.79 0.00 0.00 178.44 176.10 1jc5 h LEU 80 N 0.18 0.56 -1.39 0.65 3.38 -0.57 -0.98 115.31 117.14 1jc5 h LEU 80 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1jc5 h LEU 80 Cb 0.05 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1jc5 h LEU 80 CO -0.01 0.39 0.20 0.00 0.09 0.00 0.00 178.44 179.11 1jc5 h ALA 81 N 1.25 1.52 0.78 1.53 0.00 -0.52 0.63 119.26 124.45 1jc5 h ALA 81 Ca 0.23 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1jc5 h ALA 81 Cb 0.03 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1jc5 h ALA 81 CO -0.10 0.38 -0.37 0.87 0.00 0.00 0.00 179.25 180.02 1jc5 h LYS 82 N 0.62 -1.01 -0.80 0.00 6.56 0.07 -2.54 116.57 119.48 1jc5 h LYS 82 Ca 0.16 0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.81 1jc5 h LYS 82 Cb 0.09 0.23 0.00 0.00 -0.57 0.00 0.00 32.23 31.98 1jc5 h LYS 82 CO -0.02 -0.67 0.00 0.72 -2.06 0.00 0.00 179.45 177.42 1jc5 n HIS 83 N -5.54 0.00 -3.53 -1.35 8.25 -0.50 -4.83 115.22 107.72 1jc5 n HIS 83 Ca -0.15 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.13 1jc5 n HIS 83 Cb 0.42 -0.08 0.07 0.00 1.12 0.00 0.00 29.99 31.51 1jc5 n HIS 83 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jc5 n ASN 84 N 0.09 -2.01 0.00 0.41 5.03 -0.83 -1.82 115.26 116.12 1jc5 n ASN 84 Ca 0.00 -0.71 0.00 0.00 0.87 0.00 0.00 54.58 54.74 1jc5 n ASN 84 Cb 0.20 -4.67 0.00 0.00 -1.02 0.00 0.00 39.78 34.28 1jc5 n ASN 84 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jc5 n GLY 85 N -1.32 0.29 3.64 7.41 0.00 0.21 -4.96 105.19 110.46 1jc5 n GLY 85 Ca -0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1jc5 n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jc5 s ARG 86 N -0.94 4.07 0.52 1.61 3.52 -0.76 -4.88 118.95 122.10 1jc5 s ARG 86 Ca 0.00 1.13 -0.20 0.00 -0.13 0.00 0.00 55.73 56.53 1jc5 s ARG 86 Cb 0.00 -3.75 -0.06 0.00 -1.56 0.00 0.00 34.95 29.58 1jc5 s ARG 86 CO 0.00 -0.90 1.12 0.00 -0.81 0.00 0.00 175.30 174.71 1jc5 s ALA 87 N 3.69 2.76 0.00 6.12 0.00 -1.26 -4.85 121.76 128.22 1jc5 s ALA 87 Ca 0.47 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1jc5 s ALA 87 Cb -0.13 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1jc5 s ALA 87 CO 0.15 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.64 1jc5 n GLY 88 N 0.14 -0.93 3.70 0.00 0.00 -0.49 -5.00 105.19 102.61 1jc5 n GLY 88 Ca 0.11 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 1jc5 n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jc5 s LEU 89 N 0.00 4.38 -0.23 0.99 1.43 -1.26 -1.05 118.68 122.94 1jc5 s LEU 89 Ca 0.00 2.65 0.03 0.00 -1.03 0.00 0.00 54.13 55.78 1jc5 s LEU 89 Cb 0.00 -3.57 -0.16 0.00 0.03 0.00 0.00 46.19 42.49 1jc5 s LEU 89 CO 0.00 -0.94 -0.19 1.57 0.23 0.00 0.00 176.35 177.02 1jc5 n HIS 90 N 5.28 0.00 -3.71 0.29 -0.00 0.16 -4.86 115.22 112.38 1jc5 n HIS 90 Ca 0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.35 1jc5 n HIS 90 Cb 0.39 -0.90 -0.00 0.00 -0.12 0.00 0.00 29.99 29.36 1jc5 n HIS 90 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1jc5 s HIS 91 N -2.47 -0.04 0.04 1.57 -3.43 -1.23 -4.65 115.29 105.08 1jc5 s HIS 91 Ca -0.30 -0.13 0.08 0.00 -0.80 0.00 0.00 55.06 53.91 1jc5 s HIS 91 Cb 0.08 0.58 -0.03 0.00 -1.43 0.00 0.00 32.58 31.78 1jc5 s HIS 91 CO 0.55 -0.44 -0.23 -1.64 -2.00 0.00 0.00 174.74 170.98 1jc5 s MET 92 N -2.53 1.93 -0.07 -0.38 -1.94 -0.97 -0.73 119.30 114.61 1jc5 s MET 92 Ca 0.16 -1.05 0.05 0.00 -1.71 0.00 0.00 55.69 53.15 1jc5 s MET 92 Cb 0.02 -2.07 -0.01 0.00 2.01 0.00 0.00 34.83 34.79 1jc5 s MET 92 CO -0.01 0.53 -0.24 0.00 -0.01 0.00 0.00 175.02 175.28 1jc5 s ALA 93 N -0.84 2.13 -0.17 3.03 0.00 0.79 -0.07 121.76 126.63 1jc5 s ALA 93 Ca 0.13 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 1jc5 s ALA 93 Cb -0.10 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 1jc5 s ALA 93 CO 0.03 0.37 -0.07 -1.58 0.00 0.00 0.00 175.76 174.51 1jc5 s TRP 94 N -0.01 2.93 0.24 0.00 0.51 0.13 0.01 118.94 122.75 1jc5 s TRP 94 Ca -0.08 -0.66 -0.30 0.00 -2.12 0.00 0.00 56.10 52.94 1jc5 s TRP 94 Cb -0.15 -1.98 -0.09 0.00 -0.81 0.00 0.00 33.47 30.44 1jc5 s TRP 94 CO 0.05 -0.30 1.13 0.50 -0.51 0.00 0.00 176.95 177.82 1jc5 s ARG 95 N 0.81 4.59 0.07 4.98 3.52 -0.13 -1.68 118.95 131.11 1jc5 s ARG 95 Ca -0.02 1.81 0.04 0.00 -0.13 0.00 0.00 55.73 57.43 1jc5 s ARG 95 Cb -0.15 -3.21 -0.03 0.00 -1.56 0.00 0.00 34.95 30.00 1jc5 s ARG 95 CO 0.01 0.11 -0.12 0.14 -0.81 0.00 0.00 175.30 174.64 1jc5 s VAL 96 N -0.75 0.96 0.05 7.11 -7.23 -0.38 -0.92 120.40 119.23 1jc5 s VAL 96 Ca 0.47 -1.36 -0.06 0.00 -1.81 0.00 0.00 61.98 59.23 1jc5 s VAL 96 Cb -0.32 -1.06 -0.29 0.00 0.56 0.00 0.00 36.38 35.27 1jc5 s VAL 96 CO 0.39 -0.35 1.03 -0.78 -0.31 0.00 0.00 175.10 175.08 1jc5 h ASP 97 N 4.12 0.47 -2.82 4.85 3.58 -1.88 -3.39 116.42 121.36 1jc5 h ASP 97 Ca -0.39 -0.55 -0.56 0.00 0.42 0.00 0.00 57.03 55.96 1jc5 h ASP 97 Cb 1.19 -0.15 -0.40 0.00 1.72 0.00 0.00 39.33 41.69 1jc5 h ASP 97 CO 0.44 1.44 -0.80 -0.62 -2.88 0.00 0.00 179.24 176.82 1jc5 s ASP 98 N -7.16 3.44 0.35 2.28 -1.08 -1.26 -4.91 116.67 108.33 1jc5 s ASP 98 Ca -0.06 -1.70 0.04 0.00 -0.52 0.00 0.00 52.55 50.31 1jc5 s ASP 98 Cb 0.07 -0.48 0.67 0.00 -1.46 0.00 0.00 42.92 41.72 1jc5 s ASP 98 CO 0.88 -0.39 1.99 -0.29 0.52 0.00 0.00 175.17 177.88 1jc5 h ILE 99 N 5.92 1.10 -0.22 4.11 2.10 -1.94 -1.46 117.51 127.13 1jc5 h ILE 99 Ca -0.10 -0.28 -0.01 0.00 1.08 0.00 0.00 64.86 65.55 1jc5 h ILE 99 Cb 0.99 0.21 -0.01 0.00 -1.09 0.00 0.00 36.82 36.92 1jc5 h ILE 99 CO 0.39 0.15 0.10 0.44 -1.08 0.00 0.00 178.15 178.15 1jc5 h ASP 100 N 0.83 0.30 -0.49 2.19 3.32 -1.98 0.18 116.42 120.75 1jc5 h ASP 100 Ca 0.27 -0.14 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 1jc5 h ASP 100 Cb 0.05 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1jc5 h ASP 100 CO -0.07 0.36 -0.17 0.00 -1.72 0.00 0.00 179.24 177.63 1jc5 h ALA 101 N 0.95 0.69 -0.53 3.45 0.00 -1.91 -0.77 119.26 121.14 1jc5 h ALA 101 Ca 0.07 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1jc5 h ALA 101 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1jc5 h ALA 101 CO -0.01 0.64 -0.01 0.28 0.00 0.00 0.00 179.25 180.15 1jc5 h VAL 102 N 0.84 1.25 -0.54 0.00 2.07 -1.16 -0.67 116.25 118.04 1jc5 h VAL 102 Ca 0.12 -1.08 -0.11 0.00 0.82 0.00 0.00 66.70 66.44 1jc5 h VAL 102 Cb 0.74 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1jc5 h VAL 102 CO 0.06 0.39 -0.11 0.28 0.02 0.00 0.00 177.57 178.21 1jc5 h SER 103 N 0.83 1.03 -0.51 0.57 0.02 -0.42 -0.87 113.55 114.20 1jc5 h SER 103 Ca 0.15 -0.34 -0.09 0.00 -0.84 0.00 0.00 61.79 60.67 1jc5 h SER 103 Cb 0.51 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1jc5 h SER 103 CO 0.03 1.14 -0.05 0.00 -1.14 0.00 0.00 176.83 176.80 1jc5 h ALA 104 N 0.95 0.69 -0.34 3.77 0.00 -0.89 -1.48 119.26 121.96 1jc5 h ALA 104 Ca 0.14 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1jc5 h ALA 104 Cb 0.67 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1jc5 h ALA 104 CO 0.05 0.54 0.08 1.15 0.00 0.00 0.00 179.25 181.07 1jc5 h THR 105 N 0.79 1.22 -0.35 0.00 2.02 -0.92 -2.57 112.91 113.10 1jc5 h THR 105 Ca 0.14 -0.75 -0.04 0.00 0.77 0.00 0.00 66.41 66.54 1jc5 h THR 105 Cb 0.59 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1jc5 h THR 105 CO 0.04 0.25 0.08 -0.07 0.37 0.00 0.00 175.52 176.19 1jc5 h LEU 106 N 0.39 0.54 -0.79 2.58 3.38 -1.13 -2.90 115.31 117.39 1jc5 h LEU 106 Ca 0.11 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.90 1jc5 h LEU 106 Cb 0.30 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 1jc5 h LEU 106 CO 0.00 0.63 0.48 0.03 0.09 0.00 0.00 178.44 179.67 1jc5 h ARG 107 N 0.41 0.84 0.00 1.13 3.08 -1.21 0.20 114.38 118.84 1jc5 h ARG 107 Ca 0.11 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1jc5 h ARG 107 Cb 0.31 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1jc5 h ARG 107 CO 0.00 0.56 0.00 1.05 -1.07 0.00 0.00 179.97 180.51 1jc5 h GLU 108 N 0.87 0.00 -0.15 0.04 4.11 -1.36 -0.52 114.58 117.57 1jc5 h GLU 108 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.78 1jc5 h GLU 108 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1jc5 h GLU 108 CO -0.17 0.00 0.00 0.54 0.07 0.00 0.00 179.01 179.45 1jc5 n ARG 109 N -2.56 1.85 -0.00 1.06 1.74 0.64 -4.93 116.66 114.47 1jc5 n ARG 109 Ca 0.01 -1.27 0.00 0.00 -0.77 0.00 0.00 57.85 55.82 1jc5 n ARG 109 Cb 0.21 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 1jc5 n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jc5 n GLY 110 N 1.20 0.05 3.76 -0.13 0.00 -0.20 -5.07 105.19 104.81 1jc5 n GLY 110 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1jc5 n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jc5 s VAL 111 N -2.02 2.46 -0.11 1.61 1.01 -0.83 -4.97 120.40 117.55 1jc5 s VAL 111 Ca 0.00 0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.36 1jc5 s VAL 111 Cb 0.00 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 1jc5 s VAL 111 CO 0.00 0.03 -0.12 -1.10 0.00 0.00 0.00 175.10 173.90 1jc5 s GLN 112 N -2.58 3.12 0.06 2.72 -0.21 -1.26 -4.25 119.66 117.26 1jc5 s GLN 112 Ca 0.63 -0.67 0.04 0.00 0.02 0.00 0.00 55.36 55.39 1jc5 s GLN 112 Cb -0.38 -2.58 -0.04 0.00 1.00 0.00 0.00 33.01 31.02 1jc5 s GLN 112 CO 0.47 0.36 -0.04 -0.51 -2.12 0.00 0.00 175.29 173.45 1jc5 s LEU 113 N -0.02 3.32 0.10 2.90 1.43 -1.26 -0.26 118.68 124.88 1jc5 s LEU 113 Ca -0.03 -0.19 -0.33 0.00 -1.03 0.00 0.00 54.13 52.55 1jc5 s LEU 113 Cb -0.14 -2.01 -0.14 0.00 0.03 0.00 0.00 46.19 43.93 1jc5 s LEU 113 CO 0.04 0.21 1.59 0.25 0.23 0.00 0.00 176.35 178.67 1jc5 h LEU 114 N 3.83 -1.19 -9.89 1.79 5.85 -0.09 -3.44 115.31 112.16 1jc5 h LEU 114 Ca -0.48 0.11 -0.54 0.00 0.84 0.00 0.00 57.88 57.81 1jc5 h LEU 114 Cb 1.17 0.41 -0.05 0.00 0.37 0.00 0.00 40.66 42.56 1jc5 h LEU 114 CO 0.56 -0.56 -0.52 -0.31 -0.34 0.00 0.00 178.44 177.27 1jc5 s TYR 115 N -5.93 3.23 0.23 1.25 2.02 -1.26 -5.01 117.35 111.88 1jc5 s TYR 115 Ca -0.17 -0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.52 1jc5 s TYR 115 Cb 0.06 -1.52 0.23 0.00 -0.40 0.00 0.00 41.96 40.33 1jc5 s TYR 115 CO 0.62 0.51 1.58 -0.44 -1.57 0.00 0.00 175.55 176.25 1jc5 h ASP 116 N 2.01 0.50 -4.31 2.29 3.32 -2.01 -3.45 116.42 114.76 1jc5 h ASP 116 Ca -0.48 -0.24 -0.41 0.00 0.02 0.00 0.00 57.03 55.91 1jc5 h ASP 116 Cb 1.21 -0.14 -0.20 0.00 0.22 0.00 0.00 39.33 40.42 1jc5 h ASP 116 CO 0.63 0.90 -0.77 -0.70 -1.72 0.00 0.00 179.24 177.58 1jc5 s GLU 117 N -4.08 0.90 0.57 3.56 2.56 -1.26 -5.13 118.70 115.82 1jc5 s GLU 117 Ca -0.06 -1.08 -0.21 0.00 0.00 0.00 0.00 54.97 53.62 1jc5 s GLU 117 Cb 0.12 -0.86 -0.04 0.00 2.00 0.00 0.00 34.13 35.35 1jc5 s GLU 117 CO 0.82 0.18 1.31 -2.30 -0.56 0.00 0.00 175.26 174.70 1jc5 n PRO 118 N 0.96 1.52 -4.54 4.30 -0.02 -1.26 -4.97 135.00 130.99 1jc5 n PRO 118 Ca -0.19 0.56 -0.25 0.00 -2.02 0.00 0.00 63.50 61.61 1jc5 n PRO 118 Cb 0.55 -2.52 -0.11 0.00 -0.02 0.00 0.00 33.50 31.40 1jc5 n PRO 118 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1jc5 s LYS 119 N -2.94 1.81 -0.05 -0.52 -2.85 -0.36 -4.87 119.74 109.96 1jc5 s LYS 119 Ca 0.74 -2.02 -0.30 0.00 -1.00 0.00 0.00 55.97 53.39 1jc5 s LYS 119 Cb -0.41 -1.26 -0.02 0.00 -2.06 0.00 0.00 37.83 34.07 1jc5 s LYS 119 CO 0.48 -0.12 1.04 -1.17 0.10 0.00 0.00 175.35 175.68 1jc5 s LEU 120 N -3.60 4.30 0.00 2.77 0.20 -1.26 0.20 118.68 121.28 1jc5 s LEU 120 Ca 0.35 1.65 0.00 0.00 0.69 0.00 0.00 54.13 56.83 1jc5 s LEU 120 Cb 0.09 -3.56 0.00 0.00 -0.43 0.00 0.00 46.19 42.29 1jc5 s LEU 120 CO 0.17 -0.41 0.00 0.61 -0.29 0.00 0.00 176.35 176.42 1jc5 n GLY 121 N 3.09 2.99 3.81 7.98 0.00 0.64 -4.87 105.19 118.83 1jc5 n GLY 121 Ca 0.08 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 1jc5 n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jc5 s THR 122 N 4.24 4.46 -1.18 2.61 2.01 -1.26 -4.15 115.64 122.36 1jc5 s THR 122 Ca 0.00 1.42 -0.10 0.00 0.31 0.00 0.00 61.69 63.32 1jc5 s THR 122 Cb 0.00 -3.84 0.08 0.00 0.01 0.00 0.00 72.50 68.76 1jc5 s THR 122 CO 0.00 0.06 0.41 0.61 -0.69 0.00 0.00 174.62 175.02 1jc5 n GLY 123 N 0.34 -0.48 2.09 4.40 0.00 -1.26 -1.35 105.19 108.94 1jc5 n GLY 123 Ca 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 1jc5 n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jc5 n GLY 124 N -1.05 0.47 3.81 -0.02 0.00 -1.26 -4.64 105.19 102.50 1jc5 n GLY 124 Ca -0.00 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 1jc5 n GLY 124 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jc5 s ASN 125 N -2.24 6.48 -0.25 1.61 0.01 -0.46 -3.51 114.94 116.58 1jc5 s ASN 125 Ca 0.00 1.76 -0.09 0.00 -0.71 0.00 0.00 52.86 53.82 1jc5 s ASN 125 Cb 0.00 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 1jc5 s ASN 125 CO 0.00 -0.68 0.13 -0.13 -1.51 0.00 0.00 177.10 174.91 1jc5 s ARG 126 N -3.55 3.87 0.31 -0.60 0.52 -0.19 -0.26 118.95 119.04 1jc5 s ARG 126 Ca 0.63 -0.37 0.05 0.00 -0.52 0.00 0.00 55.73 55.52 1jc5 s ARG 126 Cb -0.13 -3.48 -0.06 0.00 0.52 0.00 0.00 34.95 31.80 1jc5 s ARG 126 CO 0.23 -0.11 0.00 0.96 0.02 0.00 0.00 175.30 176.41 1jc5 s ILE 127 N 1.48 1.44 0.19 1.52 -4.36 0.13 -1.49 121.20 120.11 1jc5 s ILE 127 Ca 0.06 -2.05 -0.23 0.00 -0.26 0.00 0.00 60.65 58.17 1jc5 s ILE 127 Cb -0.15 -2.64 0.05 0.00 1.25 0.00 0.00 42.46 40.97 1jc5 s ILE 127 CO 0.07 -0.14 0.68 0.21 0.24 0.00 0.00 174.94 175.99 1jc5 s ASN 128 N -3.48 -0.43 0.05 4.36 3.84 -0.93 -1.23 114.94 117.12 1jc5 s ASN 128 Ca 0.33 -0.23 0.06 0.00 0.21 0.00 0.00 52.86 53.23 1jc5 s ASN 128 Cb 0.07 0.62 -0.02 0.00 -0.55 0.00 0.00 41.25 41.37 1jc5 s ASN 128 CO 0.14 -1.07 -0.16 -0.36 -2.79 0.00 0.00 177.10 172.86 1jc5 s PHE 129 N -3.74 1.39 0.45 0.43 0.40 -1.26 -0.19 117.98 115.45 1jc5 s PHE 129 Ca 0.05 -0.38 -0.08 0.00 -0.60 0.00 0.00 56.93 55.93 1jc5 s PHE 129 Cb -0.03 -0.81 -0.05 0.00 0.51 0.00 0.00 43.02 42.64 1jc5 s PHE 129 CO -0.05 0.07 0.79 -1.64 0.70 0.00 0.00 175.22 175.08 1jc5 s MET 130 N -1.31 3.65 0.56 0.44 -1.94 -0.41 0.63 119.30 120.93 1jc5 s MET 130 Ca 0.03 0.35 -0.19 0.00 -1.71 0.00 0.00 55.69 54.17 1jc5 s MET 130 Cb -0.09 -2.37 -0.05 0.00 2.01 0.00 0.00 34.83 34.33 1jc5 s MET 130 CO 0.02 -0.14 1.10 -1.01 -0.01 0.00 0.00 175.02 174.98 1jc5 s HIS 131 N -2.58 2.75 0.19 -0.03 3.76 0.64 -4.47 115.29 115.56 1jc5 s HIS 131 Ca 0.49 1.55 -0.21 0.00 -0.15 0.00 0.00 55.06 56.74 1jc5 s HIS 131 Cb -0.10 -3.20 0.12 0.00 1.11 0.00 0.00 32.58 30.51 1jc5 s HIS 131 CO 0.39 -1.41 1.58 -1.35 -0.85 0.00 0.00 174.74 173.09 1jc5 h PRO 132 N 1.01 -0.14 -0.54 8.40 0.11 -1.91 0.39 132.00 139.33 1jc5 h PRO 132 Ca -0.49 0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.73 1jc5 h PRO 132 Cb 1.25 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.31 1jc5 h PRO 132 CO 0.57 -0.09 0.07 0.87 -0.21 0.00 0.00 178.00 179.20 1jc5 h LYS 133 N -0.15 0.19 -0.01 1.05 6.56 -1.92 0.32 116.57 122.61 1jc5 h LYS 133 Ca 0.24 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.82 1jc5 h LYS 133 Cb 0.56 -0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.18 1jc5 h LYS 133 CO -0.74 0.12 0.01 0.77 -2.06 0.00 0.00 179.45 177.56 1jc5 h SER 134 N 0.19 0.00 0.01 0.86 0.02 -1.29 0.56 113.55 113.90 1jc5 h SER 134 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1jc5 h SER 134 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1jc5 h SER 134 CO -0.39 0.00 -0.05 0.61 -1.14 0.00 0.00 176.83 175.86 1jc5 n GLY 135 N -1.30 0.20 3.10 -3.77 0.00 0.94 -4.95 105.19 99.42 1jc5 n GLY 135 Ca -0.03 -0.51 -0.18 0.00 0.00 0.00 0.00 46.02 45.30 1jc5 n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jc5 n LYS 136 N 0.39 -6.08 -0.06 1.61 4.01 0.20 -2.58 118.16 115.64 1jc5 n LYS 136 Ca 0.17 0.64 0.00 0.00 -0.51 0.00 0.00 58.31 58.61 1jc5 n LYS 136 Cb 0.42 -5.12 0.00 0.00 -0.51 0.00 0.00 35.03 29.82 1jc5 n LYS 136 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1jc5 n GLY 137 N -1.61 0.51 3.32 0.72 0.00 -0.76 -5.01 105.19 102.36 1jc5 n GLY 137 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1jc5 n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jc5 s VAL 138 N -2.21 2.46 -0.20 1.61 1.01 -1.07 -5.04 120.40 116.96 1jc5 s VAL 138 Ca 0.00 -0.91 -0.28 0.00 0.00 0.00 0.00 61.98 60.80 1jc5 s VAL 138 Cb 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.43 1jc5 s VAL 138 CO 0.00 0.56 0.97 -0.22 0.00 0.00 0.00 175.10 176.42 1jc5 s LEU 139 N -0.05 4.13 -0.12 3.92 2.96 -1.26 -3.98 118.68 124.28 1jc5 s LEU 139 Ca -0.05 1.32 0.03 0.00 -0.22 0.00 0.00 54.13 55.21 1jc5 s LEU 139 Cb -0.14 -3.45 0.01 0.00 0.50 0.00 0.00 46.19 43.10 1jc5 s LEU 139 CO 0.05 -0.57 -0.23 -0.63 -1.32 0.00 0.00 176.35 173.65 1jc5 s ILE 140 N 2.80 2.05 -0.01 6.68 1.01 -1.26 -2.28 121.20 130.19 1jc5 s ILE 140 Ca 0.43 -0.99 -0.03 0.00 0.00 0.00 0.00 60.65 60.06 1jc5 s ILE 140 Cb -0.16 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 1jc5 s ILE 140 CO 0.09 0.55 0.17 -0.70 0.00 0.00 0.00 174.94 175.06 1jc5 s GLU 141 N 0.60 3.41 -0.17 2.79 2.12 0.90 -1.29 118.70 127.06 1jc5 s GLU 141 Ca -0.12 -0.33 -0.07 0.00 0.36 0.00 0.00 54.97 54.80 1jc5 s GLU 141 Cb -0.17 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 1jc5 s GLU 141 CO 0.03 0.67 0.07 -0.51 -0.54 0.00 0.00 175.26 174.98 1jc5 s LEU 142 N -1.91 3.88 -0.04 2.70 1.02 0.73 0.20 118.68 125.26 1jc5 s LEU 142 Ca 0.27 0.13 -0.01 0.00 0.02 0.00 0.00 54.13 54.54 1jc5 s LEU 142 Cb -0.13 -1.97 0.03 0.00 0.02 0.00 0.00 46.19 44.14 1jc5 s LEU 142 CO 0.18 0.22 0.04 -0.89 0.02 0.00 0.00 176.35 175.92 1jc5 s THR 143 N 0.12 -0.02 -0.11 5.49 2.01 -0.68 -2.19 115.64 120.26 1jc5 s THR 143 Ca 0.05 0.30 0.01 0.00 0.31 0.00 0.00 61.69 62.37 1jc5 s THR 143 Cb -0.12 -0.17 -0.01 0.00 0.01 0.00 0.00 72.50 72.20 1jc5 s THR 143 CO 0.00 0.16 -0.16 -1.58 -0.69 0.00 0.00 174.62 172.35 1jc5 s GLN 144 N 1.70 3.16 0.46 4.92 0.74 -0.56 -1.25 119.66 128.84 1jc5 s GLN 144 Ca -0.01 -0.74 -0.23 0.00 0.05 0.00 0.00 55.36 54.44 1jc5 s GLN 144 Cb -0.12 -2.51 -0.07 0.00 1.10 0.00 0.00 33.01 31.40 1jc5 s GLN 144 CO -0.03 0.27 1.18 0.71 -0.55 0.00 0.00 175.29 176.87 1jc5 s TYR 145 N 0.17 2.84 1.22 1.67 1.51 -1.26 -1.03 117.35 122.48 1jc5 s TYR 145 Ca -0.09 1.52 -0.15 0.00 -1.01 0.00 0.00 57.07 57.34 1jc5 s TYR 145 Cb -0.15 -3.41 0.28 0.00 -0.11 0.00 0.00 41.96 38.56 1jc5 s TYR 145 CO 0.05 -1.60 0.82 -0.35 -1.11 0.00 0.00 175.55 173.36 1jc5 n PRO 146 N -0.49 -2.72 -0.67 -1.71 -0.04 -1.23 -4.82 135.00 123.31 1jc5 n PRO 146 Ca 0.07 -0.78 0.00 0.00 -0.04 0.00 0.00 63.50 62.76 1jc5 n PRO 146 Cb 0.48 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 1jc5 n PRO 146 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63