#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jc4 s GLU 4 N 0.00 1.70 -0.15 1.20 1.03 -1.26 -5.10 118.70 116.13 1jc4 s GLU 4 Ca 0.00 -1.96 -0.29 0.00 0.03 0.00 0.00 54.97 52.75 1jc4 s GLU 4 Cb 0.00 -0.88 -0.04 0.00 -0.80 0.00 0.00 34.13 32.41 1jc4 s GLU 4 CO 0.00 -0.22 1.59 -0.51 -1.33 0.00 0.00 175.26 174.80 1jc4 s ASP 5 N -3.51 6.55 0.11 0.83 1.11 -1.26 -4.88 116.67 115.62 1jc4 s ASP 5 Ca 0.35 1.88 0.20 0.00 0.18 0.00 0.00 52.55 55.15 1jc4 s ASP 5 Cb 0.08 -2.53 -0.09 0.00 1.07 0.00 0.00 42.92 41.44 1jc4 s ASP 5 CO 0.15 -1.07 0.87 0.18 1.18 0.00 0.00 175.17 176.48 1jc4 n LEU 6 N 7.74 0.74 -4.25 1.23 4.77 -1.26 -4.92 117.00 121.05 1jc4 n LEU 6 Ca 0.18 0.30 -0.28 0.00 -0.03 0.00 0.00 56.01 56.18 1jc4 n LEU 6 Cb 0.44 0.01 -0.16 0.00 -2.33 0.00 0.00 43.42 41.39 1jc4 n LEU 6 CO 0.63 -0.03 -0.54 -0.36 -1.33 0.00 0.00 177.39 175.76 1jc4 s PHE 7 N -3.19 1.97 -0.09 -1.77 0.40 -1.26 -4.68 117.98 109.36 1jc4 s PHE 7 Ca -0.02 -0.37 -0.27 0.00 -0.60 0.00 0.00 56.93 55.66 1jc4 s PHE 7 Cb 0.10 -1.26 -0.24 0.00 0.51 0.00 0.00 43.02 42.13 1jc4 s PHE 7 CO 0.81 -0.02 0.95 0.82 0.70 0.00 0.00 175.22 178.49 1jc4 h ILE 8 N 4.56 1.64 -1.71 0.64 2.04 -1.50 -3.50 117.51 119.69 1jc4 h ILE 8 Ca -0.40 -1.97 0.32 0.00 1.00 0.00 0.00 64.86 63.80 1jc4 h ILE 8 Cb 1.14 2.95 -0.10 0.00 -0.74 0.00 0.00 36.82 40.07 1jc4 h ILE 8 CO 0.47 0.52 0.84 0.00 0.00 0.00 0.00 178.15 179.98 1jc4 s ILE 10 N -2.29 4.52 -0.06 0.00 1.01 -1.26 -1.00 121.20 122.11 1jc4 s ILE 10 Ca 0.19 1.83 -0.27 0.00 0.00 0.00 0.00 60.65 62.40 1jc4 s ILE 10 Cb 0.03 -4.18 -0.22 0.00 0.01 0.00 0.00 42.46 38.10 1jc4 s ILE 10 CO -0.02 -0.12 1.07 -0.78 0.00 0.00 0.00 174.94 175.08 1jc4 h ASP 11 N 7.66 0.04 -5.01 3.58 3.58 -0.69 -3.37 116.42 122.21 1jc4 h ASP 11 Ca -0.25 -0.70 -0.02 0.00 0.42 0.00 0.00 57.03 56.49 1jc4 h ASP 11 Cb 1.10 -0.01 -0.12 0.00 1.72 0.00 0.00 39.33 42.02 1jc4 h ASP 11 CO 0.95 0.73 0.17 -1.38 -2.88 0.00 0.00 179.24 176.83 1jc4 s HIS 12 N -3.43 -0.48 -0.17 0.28 -3.43 -1.12 -1.95 115.29 105.00 1jc4 s HIS 12 Ca -0.17 0.24 -0.00 0.00 -0.80 0.00 0.00 55.06 54.33 1jc4 s HIS 12 Cb 0.00 0.53 0.00 0.00 -1.43 0.00 0.00 32.58 31.68 1jc4 s HIS 12 CO 0.69 -0.85 -0.14 0.08 -2.00 0.00 0.00 174.74 172.52 1jc4 s VAL 13 N -3.77 2.66 0.07 -5.38 1.01 -0.51 -0.74 120.40 113.74 1jc4 s VAL 13 Ca 0.02 -0.76 -0.19 0.00 0.00 0.00 0.00 61.98 61.05 1jc4 s VAL 13 Cb -0.01 -2.14 -0.07 0.00 0.00 0.00 0.00 36.38 34.17 1jc4 s VAL 13 CO -0.12 0.51 0.57 0.00 0.00 0.00 0.00 175.10 176.06 1jc4 s ALA 14 N 1.01 3.59 -0.19 5.51 0.00 0.41 -0.54 121.76 131.56 1jc4 s ALA 14 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1jc4 s ALA 14 Cb -0.15 -2.63 0.04 0.00 0.00 0.00 0.00 23.12 20.38 1jc4 s ALA 14 CO -0.03 0.40 -0.07 -0.47 0.00 0.00 0.00 175.76 175.59 1jc4 s TYR 15 N -1.10 2.06 -0.01 0.00 5.04 0.99 -0.75 117.35 123.58 1jc4 s TYR 15 Ca 0.29 -1.36 -0.18 0.00 -2.44 0.00 0.00 57.07 53.37 1jc4 s TYR 15 Cb -0.19 -1.47 -0.05 0.00 0.35 0.00 0.00 41.96 40.59 1jc4 s TYR 15 CO 0.19 -0.69 0.51 0.00 -1.34 0.00 0.00 175.55 174.22 1jc4 s ALA 16 N 1.51 3.57 0.24 3.97 0.00 -0.45 -4.28 121.76 126.32 1jc4 s ALA 16 Ca -0.01 -0.09 -0.14 0.00 0.00 0.00 0.00 51.96 51.72 1jc4 s ALA 16 Cb -0.16 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.37 1jc4 s ALA 16 CO -0.08 0.27 0.51 0.00 0.00 0.00 0.00 175.76 176.46 1jc4 h PRO 18 N 2.22 0.42 -3.02 0.00 0.11 -1.97 -3.36 132.00 126.40 1jc4 h PRO 18 Ca -0.25 -0.24 -0.49 0.00 0.11 0.00 0.00 66.00 65.13 1jc4 h PRO 18 Cb 1.25 0.02 -0.41 0.00 0.11 0.00 0.00 31.00 31.97 1jc4 h PRO 18 CO 0.34 0.82 -0.76 0.34 -0.21 0.00 0.00 178.00 178.53 1jc4 s ASP 19 N -6.89 2.83 0.16 -2.05 -1.08 -1.26 -4.48 116.67 103.90 1jc4 s ASP 19 Ca -0.06 -0.88 -0.13 0.00 -0.52 0.00 0.00 52.55 50.96 1jc4 s ASP 19 Cb 0.12 -0.32 0.04 0.00 -1.46 0.00 0.00 42.92 41.30 1jc4 s ASP 19 CO 0.81 -0.38 1.67 0.00 0.52 0.00 0.00 175.17 177.79 1jc4 h ALA 20 N 8.39 0.70 -0.86 3.66 0.00 -1.92 -1.84 119.26 127.40 1jc4 h ALA 20 Ca -0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1jc4 h ALA 20 Cb 1.10 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1jc4 h ALA 20 CO 0.35 0.39 0.48 0.22 0.00 0.00 0.00 179.25 180.69 1jc4 h ASP 21 N 0.74 1.06 -0.28 0.00 3.58 -1.98 0.14 116.42 119.69 1jc4 h ASP 21 Ca 0.17 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 1jc4 h ASP 21 Cb 0.33 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1jc4 h ASP 21 CO 0.00 0.85 0.15 -0.08 -2.88 0.00 0.00 179.24 177.27 1jc4 h GLU 22 N 1.19 0.39 -0.27 0.28 4.81 -1.97 0.08 114.58 119.09 1jc4 h GLU 22 Ca 0.30 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1jc4 h GLU 22 Cb 0.01 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1jc4 h GLU 22 CO -0.05 0.35 0.17 0.00 -0.73 0.00 0.00 179.01 178.75 1jc4 h ALA 23 N 1.02 0.35 -0.44 2.92 0.00 -0.71 -0.59 119.26 121.81 1jc4 h ALA 23 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1jc4 h ALA 23 Cb 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1jc4 h ALA 23 CO -0.01 -0.17 0.25 1.03 0.00 0.00 0.00 179.25 180.35 1jc4 h SER 24 N 0.36 0.53 -0.79 0.00 0.87 -0.56 -0.42 113.55 113.54 1jc4 h SER 24 Ca 0.10 -0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1jc4 h SER 24 Cb -0.02 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 61.76 1jc4 h SER 24 CO -0.02 0.45 0.49 0.50 -0.53 0.00 0.00 176.83 177.72 1jc4 h LYS 25 N 0.57 0.91 -0.46 2.24 3.64 -0.73 -0.74 116.57 122.00 1jc4 h LYS 25 Ca 0.16 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1jc4 h LYS 25 Cb 0.02 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1jc4 h LYS 25 CO -0.03 0.60 0.05 -0.92 -2.27 0.00 0.00 179.45 176.89 1jc4 h TYR 26 N 0.94 0.83 -0.73 1.91 3.20 -0.72 -0.50 116.97 121.90 1jc4 h TYR 26 Ca 0.33 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 1jc4 h TYR 26 Cb 0.07 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 1jc4 h TYR 26 CO -0.04 0.78 0.39 1.88 -1.64 0.00 0.00 178.16 179.53 1jc4 h TYR 27 N 0.63 1.01 0.15 -3.82 -1.99 -0.47 0.17 116.97 112.65 1jc4 h TYR 27 Ca 0.14 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.83 1jc4 h TYR 27 Cb 0.42 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 38.83 1jc4 h TYR 27 CO 0.03 0.71 -0.07 1.96 -0.00 0.00 0.00 178.16 180.79 1jc4 h GLN 28 N 1.03 -0.19 -0.68 4.88 4.20 -0.97 -0.27 115.11 123.11 1jc4 h GLN 28 Ca 0.26 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.95 1jc4 h GLN 28 Cb 0.05 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1jc4 h GLN 28 CO -0.04 0.13 0.29 1.49 -0.67 0.00 0.00 178.83 180.03 1jc4 h GLU 29 N -0.98 1.00 0.02 1.46 4.81 -1.12 -1.86 114.58 117.90 1jc4 h GLU 29 Ca -0.02 -0.17 -0.34 0.00 -0.13 0.00 0.00 59.36 58.70 1jc4 h GLU 29 Cb 0.41 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 1jc4 h GLU 29 CO 0.03 0.81 -1.92 2.41 -0.73 0.00 0.00 179.01 179.62 1jc4 n THR 30 N -4.42 1.57 0.85 0.32 -1.04 0.04 -4.58 114.28 107.03 1jc4 n THR 30 Ca 0.05 -0.31 0.12 0.00 -2.04 0.00 0.00 64.05 61.87 1jc4 n THR 30 Cb 0.15 -1.87 0.13 0.00 -1.82 0.00 0.00 70.33 66.93 1jc4 n THR 30 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1jc4 n PHE 31 N -4.08 0.12 -1.66 -1.42 3.72 -0.90 -4.96 117.46 108.28 1jc4 n PHE 31 Ca -0.41 0.04 -0.08 0.00 -0.05 0.00 0.00 57.45 56.95 1jc4 n PHE 31 Cb 0.84 -0.30 -0.02 0.00 -0.94 0.00 0.00 39.48 39.06 1jc4 n PHE 31 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jc4 n GLY 32 N 1.45 0.53 3.92 1.37 0.00 -0.52 -4.97 105.19 106.97 1jc4 n GLY 32 Ca 0.04 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 1jc4 n GLY 32 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jc4 s TRP 33 N -2.33 3.15 -0.02 1.61 0.52 -0.23 -4.83 118.94 116.81 1jc4 s TRP 33 Ca 0.00 0.61 0.06 0.00 0.02 0.00 0.00 56.10 56.79 1jc4 s TRP 33 Cb 0.00 -2.91 -0.02 0.00 -1.15 0.00 0.00 33.47 29.39 1jc4 s TRP 33 CO 0.00 -1.04 -0.20 -1.01 0.02 0.00 0.00 176.95 174.72 1jc4 s HIS 34 N -3.10 2.51 -0.35 -1.98 3.76 0.97 -3.98 115.29 113.12 1jc4 s HIS 34 Ca 0.56 -0.30 -0.20 0.00 -0.15 0.00 0.00 55.06 54.97 1jc4 s HIS 34 Cb -0.11 -1.54 -0.00 0.00 1.11 0.00 0.00 32.58 32.04 1jc4 s HIS 34 CO 0.45 0.09 0.59 -2.00 -0.85 0.00 0.00 174.74 173.03 1jc4 s GLU 35 N -0.78 3.69 -0.13 1.40 2.12 -1.26 -0.47 118.70 123.26 1jc4 s GLU 35 Ca 0.11 0.01 0.06 0.00 0.36 0.00 0.00 54.97 55.51 1jc4 s GLU 35 Cb -0.10 -3.80 -0.23 0.00 0.26 0.00 0.00 34.13 30.25 1jc4 s GLU 35 CO 0.00 -0.68 0.33 1.28 -0.54 0.00 0.00 175.26 175.66 1jc4 n LEU 36 N 5.91 1.55 -3.65 2.70 4.77 -1.26 -5.00 117.00 122.02 1jc4 n LEU 36 Ca -0.02 0.19 -0.15 0.00 -0.03 0.00 0.00 56.01 56.00 1jc4 n LEU 36 Cb 0.49 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 41.19 1jc4 n LEU 36 CO 0.47 0.63 0.20 -1.00 -1.33 0.00 0.00 177.39 176.36 1jc4 s HIS 37 N -2.55 -0.38 -0.14 -1.77 3.76 -1.26 -5.16 115.29 107.78 1jc4 s HIS 37 Ca -0.15 0.57 -0.11 0.00 -0.15 0.00 0.00 55.06 55.22 1jc4 s HIS 37 Cb 0.07 0.24 0.04 0.00 1.11 0.00 0.00 32.58 34.05 1jc4 s HIS 37 CO 0.78 -0.51 0.37 -0.98 -0.85 0.00 0.00 174.74 173.55 1jc4 s ARG 38 N -1.52 0.40 -0.16 1.40 1.70 -1.26 -4.32 118.95 115.20 1jc4 s ARG 38 Ca -0.11 0.59 -0.12 0.00 -0.47 0.00 0.00 55.73 55.61 1jc4 s ARG 38 Cb -0.02 0.12 0.05 0.00 -0.57 0.00 0.00 34.95 34.52 1jc4 s ARG 38 CO 0.05 -0.09 0.41 -1.83 -1.08 0.00 0.00 175.30 172.76 1jc4 s GLU 39 N 0.61 0.45 -0.21 3.89 4.04 0.18 -5.00 118.70 122.66 1jc4 s GLU 39 Ca -0.03 0.65 -0.06 0.00 0.04 0.00 0.00 54.97 55.56 1jc4 s GLU 39 Cb -0.05 0.14 -0.03 0.00 0.02 0.00 0.00 34.13 34.21 1jc4 s GLU 39 CO -0.04 -0.09 0.04 -1.21 -1.84 0.00 0.00 175.26 172.12 1jc4 s GLU 40 N 0.64 3.71 -0.54 -4.83 2.02 -1.26 -1.41 118.70 117.02 1jc4 s GLU 40 Ca -0.03 -0.47 -0.06 0.00 0.02 0.00 0.00 54.97 54.43 1jc4 s GLU 40 Cb -0.05 -3.19 0.14 0.00 0.10 0.00 0.00 34.13 31.14 1jc4 s GLU 40 CO -0.04 0.01 0.39 1.21 0.02 0.00 0.00 175.26 176.84 1jc4 s ASN 41 N 1.06 5.56 0.50 -0.19 3.84 0.29 -4.96 114.94 121.04 1jc4 s ASN 41 Ca 0.03 -2.32 0.19 0.00 0.21 0.00 0.00 52.86 50.97 1jc4 s ASN 41 Cb -0.14 -1.94 1.27 0.00 -0.55 0.00 0.00 41.25 39.89 1jc4 s ASN 41 CO 0.02 -0.54 2.10 1.55 -2.79 0.00 0.00 177.10 177.43 1jc4 h PRO 42 N 7.84 0.00 -0.13 0.43 0.13 -1.95 0.28 132.00 138.60 1jc4 h PRO 42 Ca -0.10 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.89 1jc4 h PRO 42 Cb 1.03 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.16 1jc4 h PRO 42 CO 0.77 0.09 -0.48 0.93 -0.23 0.00 0.00 178.00 179.07 1jc4 h GLU 43 N 0.00 0.56 0.00 0.86 4.39 -1.95 -2.89 114.58 115.55 1jc4 h GLU 43 Ca -0.00 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1jc4 h GLU 43 Cb 0.17 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1jc4 h GLU 43 CO 0.01 1.05 -0.14 1.04 -1.16 0.00 0.00 179.01 179.81 1jc4 n GLN 44 N -4.22 0.23 -3.04 2.33 6.02 -1.12 -4.95 117.38 112.62 1jc4 n GLN 44 Ca -0.07 0.16 -0.13 0.00 -0.01 0.00 0.00 57.00 56.94 1jc4 n GLN 44 Cb 0.59 -1.73 0.06 0.00 1.02 0.00 0.00 30.24 30.17 1jc4 n GLN 44 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jc4 n GLY 45 N 1.34 -0.10 3.16 1.08 0.00 0.91 -4.47 105.19 107.12 1jc4 n GLY 45 Ca 0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1jc4 n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jc4 s VAL 46 N -3.24 0.09 -0.12 1.61 -7.23 -0.69 -0.75 120.40 110.07 1jc4 s VAL 46 Ca 0.09 -0.72 0.02 0.00 -1.81 0.00 0.00 61.98 59.56 1jc4 s VAL 46 Cb -0.04 -0.64 -0.00 0.00 0.56 0.00 0.00 36.38 36.26 1jc4 s VAL 46 CO 0.50 -0.40 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.01 1jc4 s VAL 47 N -1.79 2.40 -0.06 1.32 1.01 -0.18 -0.55 120.40 122.55 1jc4 s VAL 47 Ca -0.11 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.02 1jc4 s VAL 47 Cb -0.05 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.37 1jc4 s VAL 47 CO 0.00 0.55 -0.21 -1.61 0.00 0.00 0.00 175.10 173.83 1jc4 s GLU 48 N 0.41 2.26 0.00 2.72 2.02 -0.50 -1.56 118.70 124.04 1jc4 s GLU 48 Ca -0.15 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.10 1jc4 s GLU 48 Cb -0.17 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.18 1jc4 s GLU 48 CO 0.07 0.26 0.00 -0.89 0.02 0.00 0.00 175.26 174.72 1jc4 n ILE 49 N 3.19 0.00 -3.53 -1.63 5.41 -0.31 -0.65 119.36 121.85 1jc4 n ILE 49 Ca -0.18 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.43 1jc4 n ILE 49 Cb 0.52 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.41 1jc4 n ILE 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jc4 s ALA 52 N -2.00 -1.82 -1.29 -1.39 0.00 0.38 -0.43 121.76 115.20 1jc4 s ALA 52 Ca 0.00 1.32 0.20 0.00 0.00 0.00 0.00 51.96 53.48 1jc4 s ALA 52 Cb 0.00 -0.15 0.95 0.00 0.00 0.00 0.00 23.12 23.92 1jc4 s ALA 52 CO 0.00 -0.41 1.63 -0.35 0.00 0.00 0.00 175.76 176.62 1jc4 n PRO 53 N 0.61 0.19 -4.18 0.00 -0.04 -1.26 -0.02 135.00 130.31 1jc4 n PRO 53 Ca -0.14 0.12 -0.11 0.00 -0.04 0.00 0.00 63.50 63.32 1jc4 n PRO 53 Cb 0.58 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 1jc4 n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jc4 s ALA 54 N -2.71 1.04 0.26 0.55 0.00 -1.26 -4.75 121.76 114.90 1jc4 s ALA 54 Ca 0.16 -1.35 0.03 0.00 0.00 0.00 0.00 51.96 50.80 1jc4 s ALA 54 Cb 0.13 0.13 0.34 0.00 0.00 0.00 0.00 23.12 23.73 1jc4 s ALA 54 CO 0.32 -0.20 1.65 0.00 0.00 0.00 0.00 175.76 177.53 1jc4 h ALA 55 N 3.00 0.98 -3.82 0.00 0.00 -1.95 -3.42 119.26 114.05 1jc4 h ALA 55 Ca -0.36 -0.43 -0.68 0.00 0.00 0.00 0.00 54.91 53.45 1jc4 h ALA 55 Cb 1.17 -0.10 -0.26 0.00 0.00 0.00 0.00 17.79 18.60 1jc4 h ALA 55 CO 0.64 0.62 -0.80 0.15 0.00 0.00 0.00 179.25 179.86 1jc4 s LYS 56 N -4.19 2.77 0.06 0.00 -0.14 -1.26 -5.01 119.74 111.98 1jc4 s LYS 56 Ca -0.06 -0.75 -0.24 0.00 -1.36 0.00 0.00 55.97 53.56 1jc4 s LYS 56 Cb 0.13 -2.40 -0.06 0.00 -1.68 0.00 0.00 37.83 33.82 1jc4 s LYS 56 CO 0.80 0.44 0.74 -0.51 -0.76 0.00 0.00 175.35 176.06 1jc4 s LEU 57 N -0.27 4.48 0.47 3.17 1.02 -1.26 -5.04 118.68 121.25 1jc4 s LEU 57 Ca 0.01 1.45 -0.03 0.00 0.02 0.00 0.00 54.13 55.58 1jc4 s LEU 57 Cb -0.13 -3.19 -0.02 0.00 0.02 0.00 0.00 46.19 42.87 1jc4 s LEU 57 CO 0.03 0.08 0.73 0.42 0.02 0.00 0.00 176.35 177.63 1jc4 s THR 58 N -0.34 4.42 0.26 5.49 -4.23 -1.26 -4.99 115.64 114.99 1jc4 s THR 58 Ca 0.37 -0.17 -0.12 0.00 -1.18 0.00 0.00 61.69 60.59 1jc4 s THR 58 Cb -0.21 -3.67 0.37 0.00 1.34 0.00 0.00 72.50 70.33 1jc4 s THR 58 CO 0.23 -0.57 1.53 1.21 -0.54 0.00 0.00 174.62 176.48 1jc4 n GLU 59 N -2.19 -0.15 -3.70 3.99 2.13 -1.26 -4.90 120.64 114.57 1jc4 n GLU 59 Ca 0.01 1.52 -0.38 0.00 0.66 0.00 0.00 57.16 58.97 1jc4 n GLU 59 Cb 0.57 -2.27 -0.12 0.00 0.27 0.00 0.00 31.44 29.89 1jc4 n GLU 59 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1jc4 s HIS 60 N -6.11 3.16 -0.05 4.31 3.76 -1.26 -5.05 115.29 114.04 1jc4 s HIS 60 Ca -0.14 -0.65 -0.09 0.00 -0.15 0.00 0.00 55.06 54.03 1jc4 s HIS 60 Cb 0.24 -2.31 0.02 0.00 1.11 0.00 0.00 32.58 31.64 1jc4 s HIS 60 CO 0.74 -0.47 0.23 0.99 -0.85 0.00 0.00 174.74 175.38 1jc4 s THR 62 N 1.59 0.03 0.42 1.30 2.01 -1.26 -4.78 115.64 114.95 1jc4 s THR 62 Ca 0.04 -0.25 0.07 0.00 0.31 0.00 0.00 61.69 61.86 1jc4 s THR 62 Cb -0.17 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 1jc4 s THR 62 CO 0.05 -0.14 0.22 -1.10 -0.69 0.00 0.00 174.62 172.96 1jc4 s GLN 63 N -0.50 2.28 -0.17 4.92 -0.21 -0.82 -4.74 119.66 120.41 1jc4 s GLN 63 Ca -0.06 -1.82 -0.02 0.00 0.02 0.00 0.00 55.36 53.48 1jc4 s GLN 63 Cb -0.04 -2.04 -0.01 0.00 1.00 0.00 0.00 33.01 31.92 1jc4 s GLN 63 CO 0.01 -0.17 -0.09 0.08 -2.12 0.00 0.00 175.29 173.01 1jc4 s VAL 64 N -2.60 3.23 -0.39 1.09 1.01 -1.26 -1.43 120.40 120.04 1jc4 s VAL 64 Ca 0.41 -0.57 -0.14 0.00 0.00 0.00 0.00 61.98 61.68 1jc4 s VAL 64 Cb 0.02 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 34.01 1jc4 s VAL 64 CO 0.23 0.48 0.27 -1.58 0.00 0.00 0.00 175.10 174.50 1jc4 s GLN 65 N 0.85 3.03 0.85 2.72 0.74 0.30 -4.78 119.66 123.38 1jc4 s GLN 65 Ca -0.03 -0.97 -0.11 0.00 0.05 0.00 0.00 55.36 54.31 1jc4 s GLN 65 Cb -0.15 -3.90 0.15 0.00 1.10 0.00 0.00 33.01 30.21 1jc4 s GLN 65 CO 0.01 -0.69 1.19 0.08 -0.55 0.00 0.00 175.29 175.33 1jc4 s VAL 66 N 1.66 2.07 0.00 1.34 1.01 0.43 -0.01 120.40 126.90 1jc4 s VAL 66 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1jc4 s VAL 66 Cb -0.19 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1jc4 s VAL 66 CO 0.09 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.19 1jc4 n ALA 68 N -3.38 0.00 -1.76 5.51 0.00 -0.60 -1.16 120.51 119.11 1jc4 n ALA 68 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.19 1jc4 n ALA 68 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 1jc4 n ALA 68 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jc4 s PRO 69 N -1.86 4.52 -0.16 0.00 0.04 -1.26 -1.00 135.00 135.27 1jc4 s PRO 69 Ca 0.00 1.70 0.13 0.00 0.04 0.00 0.00 61.00 62.87 1jc4 s PRO 69 Cb 0.00 -3.01 -0.24 0.00 0.04 0.00 0.00 34.50 31.29 1jc4 s PRO 69 CO 0.00 0.13 0.21 -0.11 0.04 0.00 0.00 177.00 177.28 1jc4 n LEU 70 N 0.85 0.70 -3.98 -3.56 7.94 0.07 -4.84 117.00 114.17 1jc4 n LEU 70 Ca 0.01 0.11 -0.08 0.00 -1.11 0.00 0.00 56.01 54.93 1jc4 n LEU 70 Cb 0.46 0.17 -0.09 0.00 0.53 0.00 0.00 43.42 44.49 1jc4 n LEU 70 CO 0.51 0.54 -0.25 0.54 -1.11 0.00 0.00 177.39 177.61 1jc4 s ASN 71 N -5.85 0.30 0.64 1.96 2.20 -1.24 -5.01 114.94 107.94 1jc4 s ASN 71 Ca -0.12 -0.77 0.42 0.00 -0.94 0.00 0.00 52.86 51.45 1jc4 s ASN 71 Cb 0.07 0.24 2.16 0.00 -2.00 0.00 0.00 41.25 41.72 1jc4 s ASN 71 CO 0.80 -0.59 2.28 0.44 -2.94 0.00 0.00 177.10 177.08 1jc4 h ASP 72 N 3.26 0.00 1.28 3.54 5.19 -1.93 -2.30 116.42 125.45 1jc4 h ASP 72 Ca -0.34 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 1jc4 h ASP 72 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 1jc4 h ASP 72 CO 0.58 0.00 -0.26 -0.33 -3.12 0.00 0.00 179.24 176.11 1jc4 h GLU 73 N 0.00 0.00 -7.25 3.56 4.39 -1.96 -3.39 114.58 109.92 1jc4 h GLU 73 Ca -0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 1jc4 h GLU 73 Cb 0.13 0.00 0.19 0.00 -0.10 0.00 0.00 28.75 28.97 1jc4 h GLU 73 CO 0.00 0.00 0.27 -1.54 -1.16 0.00 0.00 179.01 176.58 1jc4 s SER 74 N -4.59 3.26 0.27 1.42 1.04 -0.87 -4.83 113.70 109.41 1jc4 s SER 74 Ca 0.08 2.22 -0.02 0.00 0.48 0.00 0.00 55.95 58.72 1jc4 s SER 74 Cb 0.12 -2.57 0.36 0.00 0.10 0.00 0.00 66.02 64.03 1jc4 s SER 74 CO 0.65 -2.88 1.79 0.71 0.98 0.00 0.00 173.24 174.50 1jc4 h THR 75 N -1.49 1.23 -0.54 2.02 1.35 -1.88 -2.19 112.91 111.41 1jc4 h THR 75 Ca -0.44 -0.91 -0.02 0.00 -0.55 0.00 0.00 66.41 64.49 1jc4 h THR 75 Cb 1.27 0.78 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 1jc4 h THR 75 CO 0.44 0.33 0.24 0.58 -0.25 0.00 0.00 175.52 176.86 1jc4 h VAL 76 N 0.77 1.21 -0.85 6.82 2.07 -1.91 -0.04 116.25 124.33 1jc4 h VAL 76 Ca 0.16 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1jc4 h VAL 76 Cb 0.37 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1jc4 h VAL 76 CO 0.01 0.24 0.43 0.00 0.02 0.00 0.00 177.57 178.27 1jc4 h ALA 77 N 1.08 1.16 -0.07 1.67 0.00 -1.75 -0.22 119.26 121.12 1jc4 h ALA 77 Ca 0.18 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1jc4 h ALA 77 Cb 0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1jc4 h ALA 77 CO -0.02 0.65 -0.40 0.87 0.00 0.00 0.00 179.25 180.35 1jc4 h LYS 78 N 1.20 0.15 -0.10 0.00 1.57 -0.94 -1.27 116.57 117.17 1jc4 h LYS 78 Ca 0.29 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.96 1jc4 h LYS 78 Cb 0.08 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 1jc4 h LYS 78 CO -0.04 0.53 -0.12 2.35 -0.57 0.00 0.00 179.45 181.60 1jc4 h TRP 79 N 0.13 0.33 -0.62 -1.35 7.01 -0.30 -1.99 115.95 119.16 1jc4 h TRP 79 Ca 0.01 -0.10 -0.00 0.00 2.11 0.00 0.00 58.89 60.91 1jc4 h TRP 79 Cb 0.77 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.73 1jc4 h TRP 79 CO 0.01 0.71 0.38 -0.07 -2.79 0.00 0.00 178.44 176.68 1jc4 h LEU 80 N -0.15 0.74 -0.78 0.65 3.38 -0.91 -2.16 115.31 116.08 1jc4 h LEU 80 Ca 0.01 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1jc4 h LEU 80 Cb 0.66 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1jc4 h LEU 80 CO 0.03 0.57 0.51 0.00 0.09 0.00 0.00 178.44 179.64 1jc4 h ALA 81 N 1.20 1.00 0.00 1.53 0.00 -1.23 0.55 119.26 122.31 1jc4 h ALA 81 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1jc4 h ALA 81 Cb -0.04 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1jc4 h ALA 81 CO -0.04 0.39 0.00 1.17 0.00 0.00 0.00 179.25 180.76 1jc4 n LYS 82 N -4.55 0.17 -0.50 0.00 4.81 -0.75 -1.75 118.16 115.59 1jc4 n LYS 82 Ca 0.08 0.49 0.04 0.00 -0.87 0.00 0.00 58.31 58.05 1jc4 n LYS 82 Cb 0.03 -1.89 0.20 0.00 0.02 0.00 0.00 35.03 33.39 1jc4 n LYS 82 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1jc4 n HIS 83 N -2.22 0.57 -3.62 5.64 8.25 -0.28 -4.97 115.22 118.59 1jc4 n HIS 83 Ca 0.01 -1.27 -0.22 0.00 -0.26 0.00 0.00 57.72 55.97 1jc4 n HIS 83 Cb 0.16 -0.32 0.07 0.00 1.12 0.00 0.00 29.99 31.02 1jc4 n HIS 83 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jc4 n ASN 84 N -1.06 -3.89 -1.07 0.41 3.02 -0.71 -1.87 115.26 110.09 1jc4 n ASN 84 Ca 0.23 -0.65 -0.14 0.00 -0.03 0.00 0.00 54.58 53.99 1jc4 n ASN 84 Cb 0.84 -4.70 -0.06 0.00 -0.61 0.00 0.00 39.78 35.25 1jc4 n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jc4 n GLY 85 N -1.61 1.35 3.60 7.41 0.00 0.18 -4.95 105.19 111.16 1jc4 n GLY 85 Ca -0.13 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1jc4 n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jc4 s ARG 86 N -3.16 3.94 0.59 1.61 3.52 -0.78 -4.93 118.95 119.73 1jc4 s ARG 86 Ca 0.00 0.13 -0.19 0.00 -0.13 0.00 0.00 55.73 55.54 1jc4 s ARG 86 Cb 0.00 -3.69 -0.04 0.00 -1.56 0.00 0.00 34.95 29.66 1jc4 s ARG 86 CO 0.00 -0.41 1.23 0.00 -0.81 0.00 0.00 175.30 175.31 1jc4 s ALA 87 N 2.28 2.58 -0.06 6.12 0.00 -1.26 -4.88 121.76 126.54 1jc4 s ALA 87 Ca 0.19 1.07 -0.30 0.00 0.00 0.00 0.00 51.96 52.92 1jc4 s ALA 87 Cb -0.16 -3.47 0.11 0.00 0.00 0.00 0.00 23.12 19.60 1jc4 s ALA 87 CO 0.10 -1.21 1.35 0.20 0.00 0.00 0.00 175.76 176.21 1jc4 s GLY 88 N -1.47 -0.27 0.15 0.00 0.00 -0.56 -5.00 107.32 100.17 1jc4 s GLY 88 Ca 0.77 0.33 -0.31 0.00 0.00 0.00 0.00 44.72 45.50 1jc4 s GLY 88 CO 0.36 4.54 1.65 1.08 0.00 0.00 0.00 173.10 180.72 1jc4 s LEU 89 N -3.63 4.37 -0.27 0.66 1.02 -1.26 -1.34 118.68 118.22 1jc4 s LEU 89 Ca 0.26 2.67 -0.12 0.00 0.02 0.00 0.00 54.13 56.96 1jc4 s LEU 89 Cb 0.02 -3.59 -0.13 0.00 0.02 0.00 0.00 46.19 42.51 1jc4 s LEU 89 CO -0.03 -0.89 -0.32 1.57 0.02 0.00 0.00 176.35 176.71 1jc4 n HIS 90 N 4.45 0.05 -0.56 0.29 -0.00 0.07 -4.88 115.22 114.64 1jc4 n HIS 90 Ca 0.15 0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.35 1jc4 n HIS 90 Cb 0.38 -1.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.25 1jc4 n HIS 90 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1jc4 n HIS 91 N -4.10 0.00 -3.63 1.57 1.44 -1.24 -4.66 115.22 104.60 1jc4 n HIS 91 Ca -0.53 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.07 1jc4 n HIS 91 Cb 0.90 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.94 1jc4 n HIS 91 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1jc4 s ALA 93 N -1.00 -1.85 -0.12 1.59 0.00 0.08 -0.44 121.76 120.02 1jc4 s ALA 93 Ca 0.00 2.06 -0.00 0.00 0.00 0.00 0.00 51.96 54.02 1jc4 s ALA 93 Cb 0.00 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.82 1jc4 s ALA 93 CO 0.00 -0.33 -0.11 -1.58 0.00 0.00 0.00 175.76 173.75 1jc4 s TRP 94 N 0.56 2.85 0.20 0.00 0.51 0.12 0.05 118.94 123.24 1jc4 s TRP 94 Ca -0.01 -0.46 -0.27 0.00 -2.12 0.00 0.00 56.10 53.24 1jc4 s TRP 94 Cb -0.05 -1.83 -0.08 0.00 -0.81 0.00 0.00 33.47 30.69 1jc4 s TRP 94 CO -0.04 -0.08 0.84 0.50 -0.51 0.00 0.00 176.95 177.66 1jc4 s ARG 95 N 0.13 4.68 0.10 4.98 3.52 -0.17 -1.88 118.95 130.32 1jc4 s ARG 95 Ca -0.05 1.28 0.06 0.00 -0.13 0.00 0.00 55.73 56.89 1jc4 s ARG 95 Cb -0.15 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 29.95 1jc4 s ARG 95 CO 0.04 0.55 -0.15 0.14 -0.81 0.00 0.00 175.30 175.07 1jc4 s VAL 96 N -1.17 1.34 -0.05 7.11 -7.23 -0.19 -1.16 120.40 119.05 1jc4 s VAL 96 Ca 0.38 -1.54 -0.25 0.00 -1.81 0.00 0.00 61.98 58.76 1jc4 s VAL 96 Cb -0.24 -1.38 -0.23 0.00 0.56 0.00 0.00 36.38 35.09 1jc4 s VAL 96 CO 0.28 -0.28 1.03 -0.78 -0.31 0.00 0.00 175.10 175.05 1jc4 h ASP 97 N 3.90 0.20 -3.24 4.85 3.58 -1.88 -3.40 116.42 120.43 1jc4 h ASP 97 Ca -0.41 -0.77 -0.59 0.00 0.42 0.00 0.00 57.03 55.68 1jc4 h ASP 97 Cb 1.19 -0.06 -0.40 0.00 1.72 0.00 0.00 39.33 41.78 1jc4 h ASP 97 CO 0.45 0.94 -0.75 -0.62 -2.88 0.00 0.00 179.24 176.37 1jc4 s ASP 98 N -6.27 4.03 0.46 2.28 -1.08 -1.26 -4.87 116.67 109.96 1jc4 s ASP 98 Ca -0.16 -1.61 0.19 0.00 -0.52 0.00 0.00 52.55 50.45 1jc4 s ASP 98 Cb 0.01 -0.94 1.11 0.00 -1.46 0.00 0.00 42.92 41.64 1jc4 s ASP 98 CO 0.74 -0.39 1.99 -0.29 0.52 0.00 0.00 175.17 177.73 1jc4 h ILE 99 N 6.51 0.94 0.33 4.11 2.10 -1.94 -1.36 117.51 128.20 1jc4 h ILE 99 Ca -0.13 -0.72 -0.02 0.00 1.08 0.00 0.00 64.86 65.08 1jc4 h ILE 99 Cb 1.03 1.41 0.00 0.00 -1.09 0.00 0.00 36.82 38.17 1jc4 h ILE 99 CO 0.46 0.19 -0.16 0.44 -1.08 0.00 0.00 178.15 178.01 1jc4 h ASP 100 N 0.00 -0.37 -0.10 2.19 5.19 -1.99 -0.93 116.42 120.40 1jc4 h ASP 100 Ca -0.00 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1jc4 h ASP 100 Cb 0.39 0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.00 1jc4 h ASP 100 CO 0.03 -0.15 0.06 0.00 -3.12 0.00 0.00 179.24 176.05 1jc4 h ALA 101 N 0.04 0.12 -0.88 3.45 0.00 -1.90 -2.41 119.26 117.68 1jc4 h ALA 101 Ca -0.05 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1jc4 h ALA 101 Cb 0.43 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1jc4 h ALA 101 CO 0.07 -0.37 0.57 0.28 0.00 0.00 0.00 179.25 179.80 1jc4 h VAL 102 N 0.11 1.23 -0.54 0.00 2.07 -1.25 -1.85 116.25 116.02 1jc4 h VAL 102 Ca 0.04 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1jc4 h VAL 102 Cb 0.01 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.71 1jc4 h VAL 102 CO -0.01 0.23 0.16 0.28 0.02 0.00 0.00 177.57 178.25 1jc4 h SER 103 N 1.20 0.79 -0.64 0.57 0.02 -1.03 0.43 113.55 114.89 1jc4 h SER 103 Ca 0.32 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1jc4 h SER 103 Cb -0.12 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.19 1jc4 h SER 103 CO -0.07 0.79 0.20 0.00 -1.14 0.00 0.00 176.83 176.61 1jc4 h ALA 104 N 1.03 1.09 -0.14 3.77 0.00 -1.19 -0.44 119.26 123.38 1jc4 h ALA 104 Ca 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1jc4 h ALA 104 Cb 0.29 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1jc4 h ALA 104 CO -0.00 0.62 0.01 1.15 0.00 0.00 0.00 179.25 181.02 1jc4 h THR 105 N 0.99 1.24 0.29 0.00 2.02 -1.00 -1.73 112.91 114.73 1jc4 h THR 105 Ca 0.22 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 1jc4 h THR 105 Cb 0.30 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1jc4 h THR 105 CO -0.01 0.23 -0.19 -0.07 0.37 0.00 0.00 175.52 175.85 1jc4 h LEU 106 N -0.01 -0.47 -0.87 2.58 3.38 -0.61 -2.18 115.31 117.13 1jc4 h LEU 106 Ca 0.04 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1jc4 h LEU 106 Cb 0.34 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 1jc4 h LEU 106 CO 0.01 -0.30 0.54 0.03 0.09 0.00 0.00 178.44 178.81 1jc4 h ARG 107 N -0.46 0.96 -0.52 1.13 3.08 -1.13 0.87 114.38 118.31 1jc4 h ARG 107 Ca -0.03 -0.06 0.11 0.00 0.07 0.00 0.00 59.98 60.08 1jc4 h ARG 107 Cb 0.39 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 1jc4 h ARG 107 CO 0.03 0.64 0.36 1.49 -1.07 0.00 0.00 179.97 181.41 1jc4 h GLU 108 N 0.99 0.20 -0.49 0.04 4.81 -1.01 0.65 114.58 119.77 1jc4 h GLU 108 Ca 0.38 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1jc4 h GLU 108 Cb 0.17 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1jc4 h GLU 108 CO -0.17 0.13 0.00 0.54 -0.73 0.00 0.00 179.01 178.78 1jc4 n ARG 109 N -4.44 2.21 -0.29 1.92 1.74 0.21 -4.91 116.66 113.10 1jc4 n ARG 109 Ca 0.09 -1.65 0.00 0.00 -0.77 0.00 0.00 57.85 55.51 1jc4 n ARG 109 Cb 0.45 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 1jc4 n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jc4 n GLY 110 N 1.10 0.66 3.71 -0.13 0.00 0.22 -5.05 105.19 105.70 1jc4 n GLY 110 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1jc4 n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jc4 s VAL 111 N -2.59 4.34 -0.23 1.61 1.01 -0.67 -4.96 120.40 118.90 1jc4 s VAL 111 Ca 0.00 1.68 -0.11 0.00 0.00 0.00 0.00 61.98 63.55 1jc4 s VAL 111 Cb 0.00 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 1jc4 s VAL 111 CO 0.00 0.13 0.20 -1.10 0.00 0.00 0.00 175.10 174.34 1jc4 s GLN 112 N 1.04 4.09 -0.10 2.72 -0.21 -1.26 -3.79 119.66 122.15 1jc4 s GLN 112 Ca 0.56 -0.18 -0.06 0.00 0.02 0.00 0.00 55.36 55.70 1jc4 s GLN 112 Cb -0.26 -3.54 -0.04 0.00 1.00 0.00 0.00 33.01 30.17 1jc4 s GLN 112 CO 0.29 0.04 0.14 -0.51 -2.12 0.00 0.00 175.29 173.13 1jc4 s LEU 113 N 1.11 4.35 0.17 2.90 1.43 -1.26 -2.35 118.68 125.03 1jc4 s LEU 113 Ca 0.10 0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 53.48 1jc4 s LEU 113 Cb -0.14 -2.15 0.12 0.00 0.03 0.00 0.00 46.19 44.06 1jc4 s LEU 113 CO 0.05 0.38 1.71 0.25 0.23 0.00 0.00 176.35 178.98 1jc4 h LEU 114 N 4.80 -0.05 -9.72 1.79 5.85 -0.77 -3.43 115.31 113.77 1jc4 h LEU 114 Ca -0.54 0.08 -0.59 0.00 0.84 0.00 0.00 57.88 57.67 1jc4 h LEU 114 Cb 1.22 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 42.30 1jc4 h LEU 114 CO 0.60 0.01 -0.58 -0.31 -0.34 0.00 0.00 178.44 177.81 1jc4 s TYR 115 N -6.16 3.14 0.01 1.25 2.02 -1.26 -5.02 117.35 111.32 1jc4 s TYR 115 Ca -0.13 -0.00 -0.09 0.00 -0.37 0.00 0.00 57.07 56.48 1jc4 s TYR 115 Cb 0.14 -1.53 -0.31 0.00 -0.40 0.00 0.00 41.96 39.86 1jc4 s TYR 115 CO 0.71 0.52 0.88 -0.44 -1.57 0.00 0.00 175.55 175.65 1jc4 h ASP 116 N 2.63 0.59 -3.87 2.29 3.32 -2.00 -3.45 116.42 115.93 1jc4 h ASP 116 Ca -0.47 -0.74 -0.66 0.00 0.02 0.00 0.00 57.03 55.18 1jc4 h ASP 116 Cb 1.19 -0.19 -0.32 0.00 0.22 0.00 0.00 39.33 40.23 1jc4 h ASP 116 CO 0.63 1.60 -0.87 -0.70 -1.72 0.00 0.00 179.24 178.19 1jc4 s GLU 117 N -2.61 2.45 0.38 3.56 2.56 -1.26 -5.10 118.70 118.68 1jc4 s GLU 117 Ca -0.10 -0.83 -0.26 0.00 0.00 0.00 0.00 54.97 53.78 1jc4 s GLU 117 Cb 0.06 -2.04 -0.11 0.00 2.00 0.00 0.00 34.13 34.03 1jc4 s GLU 117 CO 0.88 0.31 1.12 -2.30 -0.56 0.00 0.00 175.26 174.71 1jc4 n PRO 118 N 3.10 1.63 -3.21 4.30 -0.02 -1.26 -4.97 135.00 134.57 1jc4 n PRO 118 Ca -0.18 0.58 -0.21 0.00 -2.02 0.00 0.00 63.50 61.67 1jc4 n PRO 118 Cb 0.52 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1jc4 n PRO 118 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1jc4 s LYS 119 N -1.94 3.08 -0.08 -0.52 -0.14 0.14 -4.75 119.74 115.54 1jc4 s LYS 119 Ca 0.60 -0.75 -0.25 0.00 -1.36 0.00 0.00 55.97 54.21 1jc4 s LYS 119 Cb -0.58 -2.68 -0.03 0.00 -1.68 0.00 0.00 37.83 32.86 1jc4 s LYS 119 CO 0.59 -0.12 0.79 -0.51 -0.76 0.00 0.00 175.35 175.34 1jc4 s LEU 120 N -4.38 4.29 0.00 3.17 1.43 -1.26 -0.23 118.68 121.71 1jc4 s LEU 120 Ca 0.47 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 1jc4 s LEU 120 Cb -0.10 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 42.90 1jc4 s LEU 120 CO 0.35 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.32 1jc4 n GLY 121 N 3.16 3.96 3.78 -3.19 0.00 0.95 -4.91 105.19 108.94 1jc4 n GLY 121 Ca 0.02 -2.02 -0.37 0.00 0.00 0.00 0.00 46.02 43.65 1jc4 n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jc4 s THR 122 N 1.72 4.02 0.00 2.61 -4.23 -1.26 -3.05 115.64 115.45 1jc4 s THR 122 Ca 0.00 1.64 0.00 0.00 -1.18 0.00 0.00 61.69 62.15 1jc4 s THR 122 Cb 0.00 -3.89 0.00 0.00 1.34 0.00 0.00 72.50 69.95 1jc4 s THR 122 CO 0.00 0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1jc4 n GLY 123 N 0.49 0.70 2.01 3.99 0.00 -1.26 -3.26 105.19 107.86 1jc4 n GLY 123 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 1jc4 n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jc4 n GLY 124 N -2.36 0.40 3.81 -0.02 0.00 -1.17 -4.85 105.19 101.01 1jc4 n GLY 124 Ca 0.00 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 1jc4 n GLY 124 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jc4 s ASN 125 N -2.95 6.04 -0.25 1.61 -0.87 -1.20 -4.54 114.94 112.78 1jc4 s ASN 125 Ca 0.00 1.78 -0.13 0.00 -1.57 0.00 0.00 52.86 52.94 1jc4 s ASN 125 Cb 0.00 -2.53 -0.04 0.00 -0.02 0.00 0.00 41.25 38.65 1jc4 s ASN 125 CO 0.00 -0.99 0.28 -0.13 -2.57 0.00 0.00 177.10 173.70 1jc4 s ARG 126 N -3.94 4.04 0.24 -0.60 0.52 -0.88 -0.03 118.95 118.30 1jc4 s ARG 126 Ca 0.63 -0.09 0.04 0.00 -0.52 0.00 0.00 55.73 55.80 1jc4 s ARG 126 Cb -0.15 -3.61 -0.05 0.00 0.52 0.00 0.00 34.95 31.66 1jc4 s ARG 126 CO 0.33 -0.14 -0.02 0.96 0.02 0.00 0.00 175.30 176.45 1jc4 s ILE 127 N 1.63 1.18 0.20 1.52 -4.36 0.69 -1.30 121.20 120.76 1jc4 s ILE 127 Ca 0.12 -2.05 -0.23 0.00 -0.26 0.00 0.00 60.65 58.23 1jc4 s ILE 127 Cb -0.15 -2.35 0.05 0.00 1.25 0.00 0.00 42.46 41.26 1jc4 s ILE 127 CO 0.09 -0.34 0.74 0.21 0.24 0.00 0.00 174.94 175.88 1jc4 s ASN 128 N -3.33 -0.35 0.00 4.36 3.84 -0.76 0.27 114.94 118.97 1jc4 s ASN 128 Ca 0.28 -0.33 0.00 0.00 0.21 0.00 0.00 52.86 53.02 1jc4 s ASN 128 Cb 0.05 0.62 0.00 0.00 -0.55 0.00 0.00 41.25 41.37 1jc4 s ASN 128 CO 0.09 -1.09 0.00 0.49 -2.79 0.00 0.00 177.10 173.80 1jc4 n PHE 129 N -0.42 0.00 -4.20 0.43 3.01 -1.26 -0.16 117.46 114.86 1jc4 n PHE 129 Ca -0.09 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.02 1jc4 n PHE 129 Cb 0.61 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 40.00 1jc4 n PHE 129 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1jc4 s HIS 131 N 2.79 3.30 0.15 1.38 0.09 -0.99 0.06 115.29 122.06 1jc4 s HIS 131 Ca 0.00 0.28 0.13 0.00 -0.00 0.00 0.00 55.06 55.48 1jc4 s HIS 131 Cb 0.00 -1.82 0.73 0.00 -0.00 0.00 0.00 32.58 31.49 1jc4 s HIS 131 CO 0.00 0.55 1.31 -1.00 -0.00 0.00 0.00 174.74 175.60 1jc4 h PRO 132 N 4.93 0.00 0.09 8.40 0.13 -1.94 1.31 132.00 144.93 1jc4 h PRO 132 Ca -0.52 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.35 1jc4 h PRO 132 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1jc4 h PRO 132 CO 0.56 0.00 -1.15 -0.22 -0.23 0.00 0.00 178.00 176.97 1jc4 h LYS 133 N 0.00 0.40 -0.00 0.86 3.64 -1.96 0.17 116.57 119.68 1jc4 h LYS 133 Ca 0.00 -0.55 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1jc4 h LYS 133 Cb 0.74 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1jc4 h LYS 133 CO 0.00 1.22 -0.13 0.43 -2.27 0.00 0.00 179.45 178.70 1jc4 n SER 134 N -3.67 0.13 -0.19 4.20 7.64 0.44 -3.15 113.62 119.03 1jc4 n SER 134 Ca -0.09 0.29 0.08 0.00 1.01 0.00 0.00 58.87 60.16 1jc4 n SER 134 Cb 0.95 -0.31 -0.05 0.00 -1.01 0.00 0.00 64.21 63.80 1jc4 n SER 134 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jc4 n GLY 135 N 1.49 -0.31 2.28 0.23 0.00 -0.56 -4.91 105.19 103.42 1jc4 n GLY 135 Ca 0.07 -0.48 -0.07 0.00 0.00 0.00 0.00 46.02 45.53 1jc4 n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jc4 n LYS 136 N -0.78 -1.49 0.00 1.61 4.76 -0.68 -3.53 118.16 118.04 1jc4 n LYS 136 Ca 0.05 0.41 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 1jc4 n LYS 136 Cb 0.31 -3.65 0.00 0.00 -1.84 0.00 0.00 35.03 29.85 1jc4 n LYS 136 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jc4 n GLY 137 N -1.31 2.67 3.46 0.72 0.00 0.50 -4.99 105.19 106.24 1jc4 n GLY 137 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1jc4 n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jc4 s VAL 138 N -2.29 3.23 -0.29 1.61 1.01 -1.23 -5.04 120.40 117.40 1jc4 s VAL 138 Ca 0.00 -0.63 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 1jc4 s VAL 138 Cb 0.00 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 34.08 1jc4 s VAL 138 CO 0.00 0.56 1.03 -0.22 0.00 0.00 0.00 175.10 176.47 1jc4 s LEU 139 N -0.26 4.00 -0.20 3.92 2.96 -1.26 -4.16 118.68 123.67 1jc4 s LEU 139 Ca 0.02 1.11 -0.02 0.00 -0.22 0.00 0.00 54.13 55.03 1jc4 s LEU 139 Cb -0.13 -3.49 0.00 0.00 0.50 0.00 0.00 46.19 43.07 1jc4 s LEU 139 CO 0.03 -0.78 -0.11 -0.63 -1.32 0.00 0.00 176.35 173.53 1jc4 s ILE 140 N 3.43 2.82 0.08 6.68 1.01 -1.26 -4.63 121.20 129.33 1jc4 s ILE 140 Ca 0.44 -0.68 -0.10 0.00 0.00 0.00 0.00 60.65 60.31 1jc4 s ILE 140 Cb -0.13 -2.25 -0.06 0.00 0.01 0.00 0.00 42.46 40.03 1jc4 s ILE 140 CO 0.12 0.47 0.40 -0.70 0.00 0.00 0.00 174.94 175.23 1jc4 s GLU 141 N 1.39 3.75 -0.16 2.79 2.12 -1.26 -4.54 118.70 122.79 1jc4 s GLU 141 Ca 0.05 0.16 -0.03 0.00 0.36 0.00 0.00 54.97 55.51 1jc4 s GLU 141 Cb -0.14 -2.99 -0.03 0.00 0.26 0.00 0.00 34.13 31.24 1jc4 s GLU 141 CO -0.07 0.55 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.65 1jc4 s LEU 142 N -1.96 3.18 -0.00 2.70 1.02 0.78 0.16 118.68 124.56 1jc4 s LEU 142 Ca 0.34 -0.16 0.01 0.00 0.02 0.00 0.00 54.13 54.33 1jc4 s LEU 142 Cb -0.14 -1.77 0.00 0.00 0.02 0.00 0.00 46.19 44.31 1jc4 s LEU 142 CO 0.18 0.16 -0.02 0.28 0.02 0.00 0.00 176.35 176.97 1jc4 s THR 143 N 0.42 0.17 -0.05 5.49 -1.32 -0.79 -1.84 115.64 117.72 1jc4 s THR 143 Ca -0.04 -0.07 0.03 0.00 -1.21 0.00 0.00 61.69 60.40 1jc4 s THR 143 Cb -0.14 -0.16 0.00 0.00 -1.51 0.00 0.00 72.50 70.69 1jc4 s THR 143 CO 0.03 0.06 -0.15 -1.58 -2.21 0.00 0.00 174.62 170.76 1jc4 s GLN 144 N 0.04 1.80 0.58 7.08 0.74 -0.42 -1.02 119.66 128.47 1jc4 s GLN 144 Ca -0.00 -0.54 -0.17 0.00 0.05 0.00 0.00 55.36 54.71 1jc4 s GLN 144 Cb -0.02 -1.51 -0.04 0.00 1.10 0.00 0.00 33.01 32.54 1jc4 s GLN 144 CO -0.00 0.15 1.06 0.71 -0.55 0.00 0.00 175.29 176.66 1jc4 s TYR 145 N 0.29 2.94 0.07 1.67 2.02 -1.26 -2.07 117.35 121.00 1jc4 s TYR 145 Ca -0.09 1.53 -0.31 0.00 -0.37 0.00 0.00 57.07 57.83 1jc4 s TYR 145 Cb -0.13 -3.05 -0.07 0.00 -0.40 0.00 0.00 41.96 38.30 1jc4 s TYR 145 CO 0.03 -1.16 1.50 -2.14 -1.57 0.00 0.00 175.55 172.22 1jc4 s PRO 146 N -3.91 4.26 0.00 -1.71 0.02 -1.26 -4.88 135.00 127.51 1jc4 s PRO 146 Ca 0.65 2.15 0.19 0.00 0.02 0.00 0.00 61.00 64.02 1jc4 s PRO 146 Cb -0.17 -3.46 0.15 0.00 0.02 0.00 0.00 34.50 31.04 1jc4 s PRO 146 CO 0.34 -0.60 1.11 1.63 -0.33 0.00 0.00 177.00 179.15