#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jc4 s ASP 5 N 0.00 7.20 0.03 4.31 1.01 -1.26 -4.93 116.67 123.03 1jc4 s ASP 5 Ca 0.00 1.46 0.23 0.00 0.71 0.00 0.00 52.55 54.95 1jc4 s ASP 5 Cb 0.00 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 1jc4 s ASP 5 CO 0.00 -0.32 0.96 0.18 0.21 0.00 0.00 175.17 176.20 1jc4 n LEU 6 N 4.47 0.61 -4.16 1.23 4.77 -1.26 -4.93 117.00 117.73 1jc4 n LEU 6 Ca 0.06 -0.09 -0.28 0.00 -0.03 0.00 0.00 56.01 55.67 1jc4 n LEU 6 Cb 0.50 -0.08 -0.16 0.00 -2.33 0.00 0.00 43.42 41.35 1jc4 n LEU 6 CO 0.51 0.07 -0.52 -0.36 -1.33 0.00 0.00 177.39 175.76 1jc4 s PHE 7 N -3.19 1.94 -0.04 -1.77 0.08 -1.26 -4.67 117.98 109.06 1jc4 s PHE 7 Ca 0.03 -0.62 -0.23 0.00 0.12 0.00 0.00 56.93 56.24 1jc4 s PHE 7 Cb 0.15 -1.31 -0.17 0.00 -0.57 0.00 0.00 43.02 41.12 1jc4 s PHE 7 CO 0.82 -0.22 0.97 0.82 -0.10 0.00 0.00 175.22 177.51 1jc4 h ILE 8 N 5.37 0.94 -1.91 0.64 2.04 -1.19 -3.49 117.51 119.89 1jc4 h ILE 8 Ca -0.30 -1.10 0.29 0.00 1.00 0.00 0.00 64.86 64.74 1jc4 h ILE 8 Cb 1.18 1.54 -0.09 0.00 -0.74 0.00 0.00 36.82 38.72 1jc4 h ILE 8 CO 0.47 0.23 0.77 0.00 0.00 0.00 0.00 178.15 179.62 1jc4 s ILE 10 N -2.38 4.28 0.04 0.00 1.01 -1.26 -0.21 121.20 122.68 1jc4 s ILE 10 Ca 0.19 1.52 -0.20 0.00 0.00 0.00 0.00 60.65 62.17 1jc4 s ILE 10 Cb 0.01 -4.09 -0.15 0.00 0.01 0.00 0.00 42.46 38.25 1jc4 s ILE 10 CO -0.01 -0.25 1.31 -0.78 0.00 0.00 0.00 174.94 175.21 1jc4 h ASP 11 N 8.46 0.45 -4.77 3.58 3.58 -0.04 -3.37 116.42 124.31 1jc4 h ASP 11 Ca -0.25 -0.53 0.13 0.00 0.42 0.00 0.00 57.03 56.80 1jc4 h ASP 11 Cb 1.10 -0.13 -0.14 0.00 1.72 0.00 0.00 39.33 41.88 1jc4 h ASP 11 CO 0.99 0.89 0.51 -1.38 -2.88 0.00 0.00 179.24 177.37 1jc4 s HIS 12 N -4.11 -0.30 -0.19 0.28 -3.43 -1.12 -1.98 115.29 104.45 1jc4 s HIS 12 Ca -0.14 0.13 -0.01 0.00 -0.80 0.00 0.00 55.06 54.24 1jc4 s HIS 12 Cb 0.05 0.56 -0.00 0.00 -1.43 0.00 0.00 32.58 31.76 1jc4 s HIS 12 CO 0.77 -0.58 -0.12 0.08 -2.00 0.00 0.00 174.74 172.90 1jc4 s VAL 13 N -3.11 2.85 0.03 -5.38 1.01 -0.29 -0.88 120.40 114.63 1jc4 s VAL 13 Ca 0.07 -0.69 -0.23 0.00 0.00 0.00 0.00 61.98 61.13 1jc4 s VAL 13 Cb -0.01 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 1jc4 s VAL 13 CO -0.07 0.48 0.71 0.00 0.00 0.00 0.00 175.10 176.22 1jc4 s ALA 14 N 1.15 3.41 -0.13 5.51 0.00 0.12 -0.81 121.76 131.00 1jc4 s ALA 14 Ca 0.01 0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.18 1jc4 s ALA 14 Cb -0.14 -2.91 0.02 0.00 0.00 0.00 0.00 23.12 20.08 1jc4 s ALA 14 CO -0.04 0.11 -0.17 -0.47 0.00 0.00 0.00 175.76 175.19 1jc4 s TYR 15 N -0.13 2.24 -0.13 0.00 5.04 0.77 0.41 117.35 125.56 1jc4 s TYR 15 Ca 0.36 -1.16 -0.08 0.00 -2.44 0.00 0.00 57.07 53.75 1jc4 s TYR 15 Cb -0.20 -1.60 -0.04 0.00 0.35 0.00 0.00 41.96 40.47 1jc4 s TYR 15 CO 0.21 -0.60 0.14 0.00 -1.34 0.00 0.00 175.55 173.97 1jc4 s ALA 16 N 1.15 3.85 0.23 3.97 0.00 -0.31 -4.25 121.76 126.40 1jc4 s ALA 16 Ca -0.02 -0.64 -0.18 0.00 0.00 0.00 0.00 51.96 51.13 1jc4 s ALA 16 Cb -0.14 -2.01 0.02 0.00 0.00 0.00 0.00 23.12 20.99 1jc4 s ALA 16 CO -0.06 0.55 0.57 0.00 0.00 0.00 0.00 175.76 176.82 1jc4 h PRO 18 N 2.15 1.11 -3.52 0.00 0.11 -1.97 -3.36 132.00 126.51 1jc4 h PRO 18 Ca -0.25 -0.25 -0.51 0.00 0.11 0.00 0.00 66.00 65.10 1jc4 h PRO 18 Cb 1.26 -0.15 -0.40 0.00 0.11 0.00 0.00 31.00 31.81 1jc4 h PRO 18 CO 0.33 0.96 -0.76 0.34 -0.21 0.00 0.00 178.00 178.65 1jc4 s ASP 19 N -6.46 2.78 0.13 -2.05 -1.08 -1.26 -4.37 116.67 104.36 1jc4 s ASP 19 Ca -0.12 -0.76 -0.14 0.00 -0.52 0.00 0.00 52.55 51.01 1jc4 s ASP 19 Cb 0.15 -0.56 -0.02 0.00 -1.46 0.00 0.00 42.92 41.03 1jc4 s ASP 19 CO 0.84 -0.30 1.56 0.00 0.52 0.00 0.00 175.17 177.79 1jc4 h ALA 20 N 8.26 0.55 -0.25 3.66 0.00 -1.91 -2.61 119.26 126.95 1jc4 h ALA 20 Ca -0.16 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.51 1jc4 h ALA 20 Cb 1.12 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1jc4 h ALA 20 CO 0.33 0.34 0.06 -0.44 0.00 0.00 0.00 179.25 179.54 1jc4 h ASP 21 N 0.55 0.03 -0.96 0.00 3.32 -1.98 -0.83 116.42 116.55 1jc4 h ASP 21 Ca 0.11 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1jc4 h ASP 21 Cb 0.50 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.05 1jc4 h ASP 21 CO 0.02 0.05 0.59 -0.08 -1.72 0.00 0.00 179.24 178.11 1jc4 h GLU 22 N 0.16 1.30 -0.19 3.56 4.81 -1.99 -1.70 114.58 120.53 1jc4 h GLU 22 Ca 0.11 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1jc4 h GLU 22 Cb 0.11 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1jc4 h GLU 22 CO -0.14 0.90 0.08 0.00 -0.73 0.00 0.00 179.01 179.11 1jc4 h ALA 23 N 1.33 0.24 -0.29 2.92 0.00 -1.03 -1.76 119.26 120.67 1jc4 h ALA 23 Ca 0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1jc4 h ALA 23 Cb -0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1jc4 h ALA 23 CO -0.07 -0.17 0.18 1.03 0.00 0.00 0.00 179.25 180.23 1jc4 h SER 24 N 0.16 0.35 -0.62 0.00 0.87 -0.90 0.28 113.55 113.69 1jc4 h SER 24 Ca 0.06 -0.04 0.07 0.00 -1.23 0.00 0.00 61.79 60.65 1jc4 h SER 24 Cb 0.16 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 61.98 1jc4 h SER 24 CO -0.01 0.28 0.31 0.11 -0.53 0.00 0.00 176.83 176.99 1jc4 h LYS 25 N 0.38 0.55 -0.06 2.24 1.79 -1.26 -0.26 116.57 119.95 1jc4 h LYS 25 Ca 0.11 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.55 1jc4 h LYS 25 Cb -0.01 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 1jc4 h LYS 25 CO -0.02 0.36 0.01 -0.92 -1.08 0.00 0.00 179.45 177.80 1jc4 h TYR 26 N 0.56 0.01 -0.79 -1.35 3.20 -0.74 0.12 116.97 117.98 1jc4 h TYR 26 Ca 0.29 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.23 1jc4 h TYR 26 Cb 0.24 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.45 1jc4 h TYR 26 CO -0.11 0.00 0.46 1.88 -1.64 0.00 0.00 178.16 178.76 1jc4 h TYR 27 N 0.03 0.85 0.32 -3.82 -1.99 -0.26 0.10 116.97 112.20 1jc4 h TYR 27 Ca 0.03 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.77 1jc4 h TYR 27 Cb 0.02 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 38.49 1jc4 h TYR 27 CO -0.10 0.40 -0.15 1.96 -0.00 0.00 0.00 178.16 180.27 1jc4 h GLN 28 N 0.83 -0.41 -0.11 4.88 4.20 -0.71 -0.98 115.11 122.80 1jc4 h GLN 28 Ca 0.36 0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.10 1jc4 h GLN 28 Cb 0.23 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1jc4 h GLN 28 CO -0.20 -0.08 0.07 0.93 -0.67 0.00 0.00 178.83 178.88 1jc4 h GLU 29 N -0.92 0.14 0.13 1.46 4.39 -0.66 -1.12 114.58 118.00 1jc4 h GLU 29 Ca -0.04 -0.01 -0.34 0.00 0.34 0.00 0.00 59.36 59.31 1jc4 h GLU 29 Cb 0.52 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1jc4 h GLU 29 CO 0.07 0.09 -1.81 1.15 -1.16 0.00 0.00 179.01 177.36 1jc4 h THR 30 N 0.15 0.76 0.00 1.13 2.02 -0.95 -3.40 112.91 112.62 1jc4 h THR 30 Ca 0.04 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.85 1jc4 h THR 30 Cb -0.01 2.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 1jc4 h THR 30 CO -0.01 0.82 -1.20 0.49 0.37 0.00 0.00 175.52 175.99 1jc4 n PHE 31 N -3.65 0.12 -1.11 3.16 3.72 -0.47 -4.97 117.46 114.27 1jc4 n PHE 31 Ca -0.30 0.03 -0.04 0.00 -0.05 0.00 0.00 57.45 57.10 1jc4 n PHE 31 Cb 1.00 -0.30 -0.02 0.00 -0.94 0.00 0.00 39.48 39.22 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 1.39 0.66 3.88 1.37 0.00 -0.42 -4.97 105.19 107.10 1jc4 n GLY 32 Ca 0.01 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.08 3.14 -0.04 1.61 0.52 -0.92 -4.83 118.94 116.34 1jc4 s TRP 33 Ca 0.00 0.95 0.06 0.00 0.02 0.00 0.00 56.10 57.12 1jc4 s TRP 33 Cb 0.00 -3.23 -0.02 0.00 -1.15 0.00 0.00 33.47 29.07 1jc4 s TRP 33 CO 0.00 -1.46 -0.21 -1.01 0.02 0.00 0.00 176.95 174.29 1jc4 s HIS 34 N -3.42 2.51 -0.33 -1.98 3.76 0.17 -4.08 115.29 111.92 1jc4 s HIS 34 Ca 0.60 -0.39 -0.22 0.00 -0.15 0.00 0.00 55.06 54.90 1jc4 s HIS 34 Cb -0.11 -1.58 -0.00 0.00 1.11 0.00 0.00 32.58 32.00 1jc4 s HIS 34 CO 0.51 0.01 0.71 -2.00 -0.85 0.00 0.00 174.74 173.12 1jc4 s GLU 35 N -0.53 3.85 -0.20 1.40 2.12 -1.26 -0.63 118.70 123.44 1jc4 s GLU 35 Ca 0.07 0.34 -0.22 0.00 0.36 0.00 0.00 54.97 55.52 1jc4 s GLU 35 Cb -0.11 -3.76 -0.20 0.00 0.26 0.00 0.00 34.13 30.32 1jc4 s GLU 35 CO 0.01 -0.69 0.28 -0.07 -0.54 0.00 0.00 175.26 174.25 1jc4 h LEU 36 N 9.41 0.00 -7.92 2.70 3.38 -1.95 -3.49 115.31 117.44 1jc4 h LEU 36 Ca -0.25 -0.56 -0.12 0.00 0.09 0.00 0.00 57.88 57.03 1jc4 h LEU 36 Cb 1.10 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.69 1jc4 h LEU 36 CO 0.86 1.40 -0.52 -1.00 0.09 0.00 0.00 178.44 179.26 1jc4 s HIS 37 N -2.34 0.22 0.01 1.13 3.76 -1.26 -5.16 115.29 111.66 1jc4 s HIS 37 Ca -0.27 -0.56 0.04 0.00 -0.15 0.00 0.00 55.06 54.12 1jc4 s HIS 37 Cb 0.04 -0.16 -0.02 0.00 1.11 0.00 0.00 32.58 33.56 1jc4 s HIS 37 CO 0.59 -0.39 -0.13 1.03 -0.85 0.00 0.00 174.74 175.00 1jc4 s ARG 38 N -2.87 0.97 -0.01 1.40 0.52 -1.26 -4.38 118.95 113.33 1jc4 s ARG 38 Ca -0.03 -0.59 -0.05 0.00 -0.52 0.00 0.00 55.73 54.55 1jc4 s ARG 38 Cb 0.00 -0.95 -0.00 0.00 0.52 0.00 0.00 34.95 34.52 1jc4 s ARG 38 CO -0.06 0.25 0.10 -2.00 0.02 0.00 0.00 175.30 173.61 1jc4 s GLU 39 N -0.69 0.36 -0.06 3.54 -6.30 0.08 -5.01 118.70 110.63 1jc4 s GLU 39 Ca 0.03 -0.30 -0.02 0.00 -2.50 0.00 0.00 54.97 52.18 1jc4 s GLU 39 Cb -0.06 0.15 0.03 0.00 0.00 0.00 0.00 34.13 34.25 1jc4 s GLU 39 CO 0.00 -0.08 0.05 -2.00 0.02 0.00 0.00 175.26 173.26 1jc4 s GLU 40 N -1.03 0.07 -0.44 4.30 2.12 -1.26 -0.86 118.70 121.61 1jc4 s GLU 40 Ca -0.11 0.27 -0.05 0.00 0.36 0.00 0.00 54.97 55.43 1jc4 s GLU 40 Cb -0.06 -0.76 0.11 0.00 0.26 0.00 0.00 34.13 33.69 1jc4 s GLU 40 CO 0.01 -0.36 0.26 1.21 -0.54 0.00 0.00 175.26 175.83 1jc4 s ASN 41 N 2.12 5.43 0.59 -1.70 3.84 0.09 -4.97 114.94 120.34 1jc4 s ASN 41 Ca 0.05 -2.00 0.36 0.00 0.21 0.00 0.00 52.86 51.48 1jc4 s ASN 41 Cb -0.13 -1.90 1.86 0.00 -0.55 0.00 0.00 41.25 40.53 1jc4 s ASN 41 CO -0.04 -0.60 2.19 1.55 -2.79 0.00 0.00 177.10 177.41 1jc4 h PRO 42 N 8.19 0.00 0.14 0.43 0.13 -1.96 0.18 132.00 139.12 1jc4 h PRO 42 Ca -0.16 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.78 1jc4 h PRO 42 Cb 1.06 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.21 1jc4 h PRO 42 CO 0.76 0.03 -0.87 0.93 -0.23 0.00 0.00 178.00 178.62 1jc4 h GLU 43 N 0.00 0.31 0.00 0.86 4.39 -1.96 -3.23 114.58 114.95 1jc4 h GLU 43 Ca -0.00 -0.52 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1jc4 h GLU 43 Cb 0.22 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1jc4 h GLU 43 CO 0.00 1.25 -0.02 1.04 -1.16 0.00 0.00 179.01 180.12 1jc4 n GLN 44 N -4.10 0.07 -3.38 2.33 6.02 -1.13 -4.93 117.38 112.26 1jc4 n GLN 44 Ca -0.15 0.06 -0.18 0.00 -0.01 0.00 0.00 57.00 56.72 1jc4 n GLN 44 Cb 0.84 -1.58 0.08 0.00 1.02 0.00 0.00 30.24 30.60 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 1.45 -0.34 2.94 1.08 0.00 0.58 -4.48 105.19 106.42 1jc4 n GLY 45 Ca 0.07 0.10 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 1jc4 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jc4 s VAL 46 N -3.31 0.26 -0.12 1.61 1.01 -0.78 -0.88 120.40 118.20 1jc4 s VAL 46 Ca 0.25 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.97 1jc4 s VAL 46 Cb -0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 1jc4 s VAL 46 CO 0.66 -0.00 -0.16 0.54 0.00 0.00 0.00 175.10 176.14 1jc4 s VAL 47 N -0.27 2.81 0.05 2.92 0.11 -0.15 -0.74 120.40 125.14 1jc4 s VAL 47 Ca -0.01 -0.75 0.08 0.00 -2.93 0.00 0.00 61.98 58.37 1jc4 s VAL 47 Cb -0.02 -2.15 -0.03 0.00 -1.53 0.00 0.00 36.38 32.64 1jc4 s VAL 47 CO -0.00 0.54 -0.23 -1.61 -3.33 0.00 0.00 175.10 170.47 1jc4 s GLU 48 N 0.27 1.52 0.00 1.54 2.02 -0.04 -1.45 118.70 122.55 1jc4 s GLU 48 Ca -0.11 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 53.85 1jc4 s GLU 48 Cb -0.16 -1.68 0.00 0.00 0.10 0.00 0.00 34.13 32.39 1jc4 s GLU 48 CO 0.06 0.43 0.00 -0.89 0.02 0.00 0.00 175.26 174.88 1jc4 n ILE 49 N 1.74 0.00 -3.57 -1.63 5.41 -0.21 -0.74 119.36 120.36 1jc4 n ILE 49 Ca -0.17 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.45 1jc4 n ILE 49 Cb 0.53 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.40 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 -1.88 -1.37 -1.39 0.00 0.19 -0.52 121.76 114.79 1jc4 s ALA 52 Ca 0.00 1.59 0.16 0.00 0.00 0.00 0.00 51.96 53.71 1jc4 s ALA 52 Cb 0.00 -0.66 0.82 0.00 0.00 0.00 0.00 23.12 23.28 1jc4 s ALA 52 CO 0.00 -0.32 1.49 -0.35 0.00 0.00 0.00 175.76 176.58 1jc4 n PRO 53 N 1.15 0.20 -4.03 0.00 -0.04 -1.26 0.44 135.00 131.47 1jc4 n PRO 53 Ca -0.13 0.14 -0.08 0.00 -0.04 0.00 0.00 63.50 63.39 1jc4 n PRO 53 Cb 0.57 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.63 0.29 0.31 0.55 0.00 -1.26 -4.75 121.76 114.27 1jc4 s ALA 54 Ca 0.15 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.26 1jc4 s ALA 54 Cb 0.11 0.22 0.51 0.00 0.00 0.00 0.00 23.12 23.97 1jc4 s ALA 54 CO 0.26 -0.28 1.78 0.00 0.00 0.00 0.00 175.76 177.51 1jc4 h ALA 55 N 3.80 1.22 -3.38 0.00 0.00 -1.94 -3.42 119.26 115.53 1jc4 h ALA 55 Ca -0.33 -0.30 -0.65 0.00 0.00 0.00 0.00 54.91 53.62 1jc4 h ALA 55 Cb 1.17 -0.12 -0.23 0.00 0.00 0.00 0.00 17.79 18.61 1jc4 h ALA 55 CO 0.54 0.51 -0.71 0.15 0.00 0.00 0.00 179.25 179.74 1jc4 s LYS 56 N -4.57 3.42 0.02 0.00 -0.14 -1.26 -5.01 119.74 112.20 1jc4 s LYS 56 Ca -0.06 -0.59 -0.29 0.00 -1.36 0.00 0.00 55.97 53.67 1jc4 s LYS 56 Cb 0.14 -2.75 -0.04 0.00 -1.68 0.00 0.00 37.83 33.50 1jc4 s LYS 56 CO 0.77 0.30 0.92 -0.51 -0.76 0.00 0.00 175.35 176.07 1jc4 s LEU 57 N 0.18 4.40 0.58 3.17 1.43 -1.26 -5.05 118.68 122.13 1jc4 s LEU 57 Ca -0.04 1.62 -0.05 0.00 -1.03 0.00 0.00 54.13 54.63 1jc4 s LEU 57 Cb -0.14 -3.49 0.01 0.00 0.03 0.00 0.00 46.19 42.60 1jc4 s LEU 57 CO 0.04 -0.17 0.88 0.42 0.23 0.00 0.00 176.35 177.75 1jc4 s THR 58 N 0.64 3.53 0.25 5.49 -4.23 -1.26 -4.98 115.64 115.08 1jc4 s THR 58 Ca 0.48 -0.10 -0.08 0.00 -1.18 0.00 0.00 61.69 60.80 1jc4 s THR 58 Cb -0.21 -3.40 0.33 0.00 1.34 0.00 0.00 72.50 70.56 1jc4 s THR 58 CO 0.27 -0.39 1.60 -0.08 -0.54 0.00 0.00 174.62 175.48 1jc4 h GLU 59 N -0.14 0.03 -4.92 3.99 4.81 -2.06 -3.47 114.58 112.81 1jc4 h GLU 59 Ca -0.45 -0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.12 1jc4 h GLU 59 Cb 1.26 -0.01 -0.23 0.00 0.63 0.00 0.00 28.75 30.40 1jc4 h GLU 59 CO 0.60 0.02 -0.63 -1.01 -0.73 0.00 0.00 179.01 177.26 1jc4 s HIS 60 N -6.18 3.09 -0.09 0.92 3.76 -1.26 -5.06 115.29 110.47 1jc4 s HIS 60 Ca -0.14 -0.55 -0.08 0.00 -0.15 0.00 0.00 55.06 54.14 1jc4 s HIS 60 Cb 0.23 -2.24 0.02 0.00 1.11 0.00 0.00 32.58 31.71 1jc4 s HIS 60 CO 0.76 -0.41 0.24 0.99 -0.85 0.00 0.00 174.74 175.46 1jc4 s THR 62 N 1.59 -0.00 0.42 1.30 2.01 -1.26 -4.83 115.64 114.87 1jc4 s THR 62 Ca 0.06 0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.14 1jc4 s THR 62 Cb -0.15 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.99 1jc4 s THR 62 CO 0.03 0.00 0.30 -1.10 -0.69 0.00 0.00 174.62 173.16 1jc4 s GLN 63 N 0.22 2.40 -0.19 4.92 -0.21 -0.84 -4.76 119.66 121.19 1jc4 s GLN 63 Ca -0.01 -1.68 -0.03 0.00 0.02 0.00 0.00 55.36 53.67 1jc4 s GLN 63 Cb -0.02 -2.21 -0.01 0.00 1.00 0.00 0.00 33.01 31.77 1jc4 s GLN 63 CO -0.00 -0.17 -0.06 0.08 -2.12 0.00 0.00 175.29 173.01 1jc4 s VAL 64 N -2.53 3.36 -0.39 1.09 1.01 -1.26 -1.14 120.40 120.54 1jc4 s VAL 64 Ca 0.45 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 1jc4 s VAL 64 Cb -0.00 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.89 1jc4 s VAL 64 CO 0.26 0.45 0.30 -1.58 0.00 0.00 0.00 175.10 174.53 1jc4 s GLN 65 N 1.10 3.16 0.79 2.72 0.74 0.01 -4.77 119.66 123.41 1jc4 s GLN 65 Ca 0.01 -0.85 -0.06 0.00 0.05 0.00 0.00 55.36 54.50 1jc4 s GLN 65 Cb -0.15 -3.92 0.14 0.00 1.10 0.00 0.00 33.01 30.18 1jc4 s GLN 65 CO -0.01 -0.66 1.09 0.08 -0.55 0.00 0.00 175.29 175.25 1jc4 s VAL 66 N 1.75 2.13 0.00 1.34 1.01 0.32 -0.16 120.40 126.80 1jc4 s VAL 66 Ca 0.06 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1jc4 s VAL 66 Cb -0.18 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1jc4 s VAL 66 CO 0.11 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.21 1jc4 n ALA 68 N -3.12 0.00 -2.19 5.51 0.00 -0.53 -1.05 120.51 119.13 1jc4 n ALA 68 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.23 1jc4 n ALA 68 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.00 4.10 0.10 0.00 0.04 -1.26 -0.97 135.00 135.01 1jc4 s PRO 69 Ca 0.00 0.70 0.23 0.00 0.04 0.00 0.00 61.00 61.96 1jc4 s PRO 69 Cb 0.00 -2.76 0.01 0.00 0.04 0.00 0.00 34.50 31.79 1jc4 s PRO 69 CO 0.00 0.34 0.99 1.28 0.04 0.00 0.00 177.00 179.65 1jc4 n LEU 70 N 0.40 0.62 -3.75 -3.56 4.32 -0.06 -4.84 117.00 110.12 1jc4 n LEU 70 Ca -0.01 0.14 -0.06 0.00 -0.02 0.00 0.00 56.01 56.06 1jc4 n LEU 70 Cb 0.52 -0.08 -0.02 0.00 -1.62 0.00 0.00 43.42 42.22 1jc4 n LEU 70 CO 0.43 -0.06 0.59 0.54 -1.22 0.00 0.00 177.39 177.67 1jc4 s ASN 71 N -4.57 -0.26 0.00 -1.43 2.20 -1.26 -5.04 114.94 104.58 1jc4 s ASN 71 Ca 0.01 -0.42 0.11 0.00 -0.94 0.00 0.00 52.86 51.61 1jc4 s ASN 71 Cb 0.12 0.59 0.47 0.00 -2.00 0.00 0.00 41.25 40.43 1jc4 s ASN 71 CO 0.80 -1.06 1.34 0.47 -2.94 0.00 0.00 177.10 175.71 1jc4 n ASP 72 N -0.44 0.00 -0.34 3.54 8.00 -1.26 -2.65 116.55 123.40 1jc4 n ASP 72 Ca -0.06 0.47 0.12 0.00 0.71 0.00 0.00 54.79 56.03 1jc4 n ASP 72 Cb 0.60 -0.48 0.19 0.00 -0.02 0.00 0.00 41.12 41.41 1jc4 n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jc4 n GLU 73 N -1.48 0.95 -2.56 -1.24 4.71 -1.26 -4.60 120.64 115.16 1jc4 n GLU 73 Ca 0.03 -0.69 -0.35 0.00 -0.01 0.00 0.00 57.16 56.14 1jc4 n GLU 73 Cb 0.12 -1.49 -0.04 0.00 -1.01 0.00 0.00 31.44 29.03 1jc4 n GLU 73 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1jc4 s SER 74 N -2.52 6.57 0.47 1.62 1.04 -1.08 -4.90 113.70 114.89 1jc4 s SER 74 Ca 0.21 1.97 0.19 0.00 0.48 0.00 0.00 55.95 58.80 1jc4 s SER 74 Cb 0.19 -2.57 1.18 0.00 0.10 0.00 0.00 66.02 64.91 1jc4 s SER 74 CO 0.56 -0.62 1.96 0.71 0.98 0.00 0.00 173.24 176.83 1jc4 h THR 75 N 1.88 0.80 -0.39 2.02 1.35 -1.89 0.11 112.91 116.79 1jc4 h THR 75 Ca -0.49 -0.09 -0.10 0.00 -0.55 0.00 0.00 66.41 65.19 1jc4 h THR 75 Cb 1.22 0.52 -0.02 0.00 -1.73 0.00 0.00 68.15 68.14 1jc4 h THR 75 CO 0.61 0.05 -0.15 0.58 -0.25 0.00 0.00 175.52 176.36 1jc4 h VAL 76 N 0.26 1.26 -0.42 6.82 2.07 -1.90 -0.08 116.25 124.26 1jc4 h VAL 76 Ca 0.30 -1.20 -0.14 0.00 0.82 0.00 0.00 66.70 66.49 1jc4 h VAL 76 Cb 0.83 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1jc4 h VAL 76 CO -0.07 0.40 -0.28 0.00 0.02 0.00 0.00 177.57 177.65 1jc4 h ALA 77 N 1.19 0.60 -0.61 1.67 0.00 -1.09 -1.60 119.26 119.42 1jc4 h ALA 77 Ca 0.11 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1jc4 h ALA 77 Cb 0.62 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1jc4 h ALA 77 CO 0.04 0.62 0.05 0.87 0.00 0.00 0.00 179.25 180.84 1jc4 h LYS 78 N 0.75 1.04 -0.72 0.00 1.57 -1.01 -0.08 116.57 118.11 1jc4 h LYS 78 Ca 0.08 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 1jc4 h LYS 78 Cb 0.86 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 1jc4 h LYS 78 CO 0.08 0.99 0.28 2.35 -0.57 0.00 0.00 179.45 182.58 1jc4 h TRP 79 N 0.94 1.11 -0.41 -1.35 7.01 -0.93 0.24 115.95 122.56 1jc4 h TRP 79 Ca 0.18 -0.09 -0.04 0.00 2.11 0.00 0.00 58.89 61.05 1jc4 h TRP 79 Cb 0.49 -0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 27.20 1jc4 h TRP 79 CO 0.04 0.85 0.09 -0.07 -2.79 0.00 0.00 178.44 176.56 1jc4 h LEU 80 N 1.04 0.62 -0.90 0.65 3.38 -0.90 -1.22 115.31 117.97 1jc4 h LEU 80 Ca 0.24 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1jc4 h LEU 80 Cb 0.22 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1jc4 h LEU 80 CO -0.02 0.70 0.18 0.00 0.09 0.00 0.00 178.44 179.39 1jc4 h ALA 81 N 0.95 1.11 -0.33 1.53 0.00 -0.64 0.29 119.26 122.17 1jc4 h ALA 81 Ca 0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1jc4 h ALA 81 Cb 0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1jc4 h ALA 81 CO 0.00 0.60 0.20 -0.22 0.00 0.00 0.00 179.25 179.83 1jc4 h LYS 82 N 0.95 0.44 -0.95 0.00 3.64 -0.13 -2.25 116.57 118.27 1jc4 h LYS 82 Ca 0.21 -0.03 -0.47 0.00 -1.27 0.00 0.00 60.65 59.08 1jc4 h LYS 82 Cb 0.30 -0.10 -0.28 0.00 -0.41 0.00 0.00 32.23 31.74 1jc4 h LYS 82 CO -0.00 0.32 0.59 0.72 -2.27 0.00 0.00 179.45 178.81 1jc4 n HIS 83 N -4.46 2.96 -3.16 1.91 8.25 -0.50 -4.92 115.22 115.31 1jc4 n HIS 83 Ca 0.02 -1.76 -0.23 0.00 -0.26 0.00 0.00 57.72 55.49 1jc4 n HIS 83 Cb 0.08 -0.91 0.03 0.00 1.12 0.00 0.00 29.99 30.32 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 -1.01 -5.58 0.00 0.41 3.02 -0.84 -1.77 115.26 109.48 1jc4 n ASN 84 Ca 0.57 -0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1jc4 n ASN 84 Cb 1.63 -4.51 0.00 0.00 -0.61 0.00 0.00 39.78 36.29 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 -1.48 0.49 3.64 7.41 0.00 0.92 -4.98 105.19 111.18 1jc4 n GLY 85 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1jc4 n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jc4 s ARG 86 N -0.55 4.10 0.50 1.61 0.52 -0.73 -4.96 118.95 119.44 1jc4 s ARG 86 Ca 0.00 0.97 -0.21 0.00 -0.52 0.00 0.00 55.73 55.97 1jc4 s ARG 86 Cb 0.00 -3.70 -0.07 0.00 0.52 0.00 0.00 34.95 31.71 1jc4 s ARG 86 CO 0.00 -0.71 1.13 0.00 0.02 0.00 0.00 175.30 175.74 1jc4 s ALA 87 N 3.22 2.82 0.00 2.13 0.00 -1.26 -4.90 121.76 123.77 1jc4 s ALA 87 Ca 0.40 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1jc4 s ALA 87 Cb -0.14 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1jc4 s ALA 87 CO 0.11 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.60 1jc4 n GLY 88 N 0.25 -1.27 3.71 0.00 0.00 -0.70 -5.00 105.19 102.17 1jc4 n GLY 88 Ca 0.10 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 1jc4 n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jc4 s LEU 89 N 0.00 4.37 -0.24 0.99 1.43 -1.26 -1.16 118.68 122.80 1jc4 s LEU 89 Ca 0.00 2.71 -0.15 0.00 -1.03 0.00 0.00 54.13 55.65 1jc4 s LEU 89 Cb 0.00 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.53 1jc4 s LEU 89 CO 0.00 -0.92 -0.32 1.57 0.23 0.00 0.00 176.35 176.91 1jc4 n HIS 90 N 4.53 0.07 0.00 0.29 -0.00 0.17 -4.85 115.22 115.43 1jc4 n HIS 90 Ca 0.16 0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.91 1jc4 n HIS 90 Cb 0.38 -0.85 0.00 0.00 -0.00 0.00 0.00 29.99 29.51 1jc4 n HIS 90 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1jc4 n HIS 91 N -4.33 0.00 -3.64 1.57 1.44 -1.17 -4.62 115.22 104.47 1jc4 n HIS 91 Ca -0.41 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.25 1jc4 n HIS 91 Cb 0.76 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.80 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 -2.11 -0.13 1.59 0.00 -0.06 0.10 121.76 120.15 1jc4 s ALA 93 Ca 0.00 2.10 -0.02 0.00 0.00 0.00 0.00 51.96 54.04 1jc4 s ALA 93 Cb 0.00 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.53 1jc4 s ALA 93 CO 0.00 -0.31 -0.08 -1.58 0.00 0.00 0.00 175.76 173.79 1jc4 s TRP 94 N 0.92 2.92 0.25 0.00 0.51 0.58 0.69 118.94 124.80 1jc4 s TRP 94 Ca -0.04 -0.42 -0.26 0.00 -2.12 0.00 0.00 56.10 53.26 1jc4 s TRP 94 Cb -0.04 -1.88 -0.09 0.00 -0.81 0.00 0.00 33.47 30.65 1jc4 s TRP 94 CO -0.12 -0.08 0.87 0.50 -0.51 0.00 0.00 176.95 177.62 1jc4 s ARG 95 N 0.24 4.60 0.07 4.98 3.52 0.70 -1.88 118.95 131.17 1jc4 s ARG 95 Ca -0.06 1.26 0.04 0.00 -0.13 0.00 0.00 55.73 56.84 1jc4 s ARG 95 Cb -0.15 -3.03 -0.03 0.00 -1.56 0.00 0.00 34.95 30.18 1jc4 s ARG 95 CO 0.04 0.42 -0.12 0.14 -0.81 0.00 0.00 175.30 174.98 1jc4 s VAL 96 N -1.39 0.90 -0.02 7.11 -7.23 -0.13 -0.56 120.40 119.08 1jc4 s VAL 96 Ca 0.44 -1.27 -0.24 0.00 -1.81 0.00 0.00 61.98 59.09 1jc4 s VAL 96 Cb -0.21 -0.96 -0.20 0.00 0.56 0.00 0.00 36.38 35.57 1jc4 s VAL 96 CO 0.26 -0.32 1.19 -0.78 -0.31 0.00 0.00 175.10 175.14 1jc4 h ASP 97 N 4.27 0.20 -3.31 4.85 3.58 -1.87 -3.39 116.42 120.74 1jc4 h ASP 97 Ca -0.39 -0.61 -0.57 0.00 0.42 0.00 0.00 57.03 55.88 1jc4 h ASP 97 Cb 1.19 -0.06 -0.40 0.00 1.72 0.00 0.00 39.33 41.79 1jc4 h ASP 97 CO 0.42 0.78 -0.76 -0.62 -2.88 0.00 0.00 179.24 176.17 1jc4 s ASP 98 N -6.08 3.70 0.28 2.28 -1.08 -1.26 -4.85 116.67 109.66 1jc4 s ASP 98 Ca -0.15 -1.33 0.01 0.00 -0.52 0.00 0.00 52.55 50.56 1jc4 s ASP 98 Cb 0.02 -0.88 0.41 0.00 -1.46 0.00 0.00 42.92 41.01 1jc4 s ASP 98 CO 0.72 -0.34 1.77 -0.29 0.52 0.00 0.00 175.17 177.55 1jc4 h ILE 99 N 6.54 1.24 -0.22 4.11 -0.00 -1.94 -1.74 117.51 125.49 1jc4 h ILE 99 Ca -0.15 -1.03 -0.05 0.00 -0.00 0.00 0.00 64.86 63.64 1jc4 h ILE 99 Cb 1.06 1.03 -0.01 0.00 -0.00 0.00 0.00 36.82 38.90 1jc4 h ILE 99 CO 0.42 0.35 -0.06 0.44 -0.00 0.00 0.00 178.15 179.30 1jc4 h ASP 100 N 0.60 0.43 -0.33 2.19 3.32 -1.99 -1.01 116.42 119.63 1jc4 h ASP 100 Ca 0.11 -0.37 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 1jc4 h ASP 100 Cb 0.49 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1jc4 h ASP 100 CO 0.03 0.70 0.19 0.00 -1.72 0.00 0.00 179.24 178.44 1jc4 h ALA 101 N 0.75 0.42 -0.39 3.45 0.00 -1.96 -2.54 119.26 118.98 1jc4 h ALA 101 Ca 0.06 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1jc4 h ALA 101 Cb 0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1jc4 h ALA 101 CO 0.02 -0.06 -0.03 0.28 0.00 0.00 0.00 179.25 179.45 1jc4 h VAL 102 N 0.42 1.27 -1.00 0.00 2.07 -1.31 -2.65 116.25 115.05 1jc4 h VAL 102 Ca 0.12 -1.07 0.09 0.00 0.82 0.00 0.00 66.70 66.66 1jc4 h VAL 102 Cb 0.03 1.18 -0.08 0.00 -1.52 0.00 0.00 31.29 30.91 1jc4 h VAL 102 CO -0.02 0.36 0.63 0.28 0.02 0.00 0.00 177.57 178.84 1jc4 h SER 103 N 0.53 0.98 -0.12 0.57 0.02 -1.10 0.17 113.55 114.59 1jc4 h SER 103 Ca 0.11 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1jc4 h SER 103 Cb 0.53 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1jc4 h SER 103 CO 0.03 0.58 0.05 0.00 -1.14 0.00 0.00 176.83 176.34 1jc4 h ALA 104 N 1.49 0.16 -0.85 3.77 0.00 -1.30 -1.05 119.26 121.49 1jc4 h ALA 104 Ca 0.46 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.30 1jc4 h ALA 104 Cb 0.31 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1jc4 h ALA 104 CO -0.22 -0.25 0.55 1.15 0.00 0.00 0.00 179.25 180.48 1jc4 h THR 105 N 0.04 1.14 -0.09 0.00 2.02 -1.03 0.80 112.91 115.78 1jc4 h THR 105 Ca 0.04 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1jc4 h THR 105 Cb 0.17 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.56 1jc4 h THR 105 CO -0.00 0.19 0.04 -0.07 0.37 0.00 0.00 175.52 176.05 1jc4 h LEU 106 N 1.07 0.13 -0.27 2.58 3.38 -0.75 -2.34 115.31 119.11 1jc4 h LEU 106 Ca 0.34 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1jc4 h LEU 106 Cb -0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1jc4 h LEU 106 CO -0.11 0.26 0.12 0.03 0.09 0.00 0.00 178.44 178.83 1jc4 h ARG 107 N -0.01 0.40 -0.05 1.13 3.08 -0.93 -0.57 114.38 117.43 1jc4 h ARG 107 Ca 0.03 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1jc4 h ARG 107 Cb 0.17 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1jc4 h ARG 107 CO -0.00 0.40 0.37 1.49 -1.07 0.00 0.00 179.97 181.16 1jc4 h GLU 108 N 0.30 0.00 -0.49 0.04 4.81 -0.71 0.67 114.58 119.20 1jc4 h GLU 108 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1jc4 h GLU 108 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1jc4 h GLU 108 CO -0.01 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 178.81 1jc4 n ARG 109 N -2.97 3.76 -1.01 1.92 1.74 -0.36 -4.95 116.66 114.79 1jc4 n ARG 109 Ca -0.01 -2.87 -0.00 0.00 -0.77 0.00 0.00 57.85 54.20 1jc4 n ARG 109 Cb 0.43 -1.92 -0.00 0.00 -1.02 0.00 0.00 32.46 29.95 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 0.45 0.45 3.77 -0.13 0.00 0.23 -5.03 105.19 104.93 1jc4 n GLY 110 Ca 0.24 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.00 4.33 -0.25 1.61 1.01 -0.37 -4.99 120.40 119.75 1jc4 s VAL 111 Ca 0.00 1.76 -0.13 0.00 0.00 0.00 0.00 61.98 63.60 1jc4 s VAL 111 Cb 0.00 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1jc4 s VAL 111 CO 0.00 0.52 0.30 -1.10 0.00 0.00 0.00 175.10 174.82 1jc4 s GLN 112 N -1.12 4.06 -0.03 2.72 -1.52 -1.26 -4.21 119.66 118.30 1jc4 s GLN 112 Ca 0.37 -0.05 -0.02 0.00 -1.95 0.00 0.00 55.36 53.71 1jc4 s GLN 112 Cb -0.23 -3.60 -0.04 0.00 -0.22 0.00 0.00 33.01 28.92 1jc4 s GLN 112 CO 0.27 -0.12 0.09 -0.51 -0.25 0.00 0.00 175.29 174.77 1jc4 s LEU 113 N 1.60 3.99 0.05 2.90 1.43 -1.26 -1.11 118.68 126.28 1jc4 s LEU 113 Ca 0.13 0.22 -0.25 0.00 -1.03 0.00 0.00 54.13 53.20 1jc4 s LEU 113 Cb -0.15 -2.25 -0.17 0.00 0.03 0.00 0.00 46.19 43.65 1jc4 s LEU 113 CO 0.08 0.30 1.52 0.25 0.23 0.00 0.00 176.35 178.74 1jc4 h LEU 114 N 4.28 -0.12 -9.79 1.79 6.46 -1.20 -3.44 115.31 113.29 1jc4 h LEU 114 Ca -0.50 -0.16 -0.63 0.00 -0.12 0.00 0.00 57.88 56.48 1jc4 h LEU 114 Cb 1.19 0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 41.10 1jc4 h LEU 114 CO 0.62 0.09 -0.40 -0.31 -0.62 0.00 0.00 178.44 177.81 1jc4 s TYR 115 N -5.42 3.57 0.21 1.25 2.02 -1.26 -4.99 117.35 112.73 1jc4 s TYR 115 Ca -0.14 0.53 0.04 0.00 -0.37 0.00 0.00 57.07 57.13 1jc4 s TYR 115 Cb 0.04 -1.96 0.16 0.00 -0.40 0.00 0.00 41.96 39.80 1jc4 s TYR 115 CO 0.64 0.61 1.50 -0.44 -1.57 0.00 0.00 175.55 176.30 1jc4 h ASP 116 N 3.93 0.24 -3.99 2.29 3.32 -2.00 -3.44 116.42 116.77 1jc4 h ASP 116 Ca -0.50 -0.16 -0.39 0.00 0.02 0.00 0.00 57.03 56.00 1jc4 h ASP 116 Cb 1.19 -0.07 -0.29 0.00 0.22 0.00 0.00 39.33 40.38 1jc4 h ASP 116 CO 0.67 0.87 -0.78 -0.70 -1.72 0.00 0.00 179.24 177.58 1jc4 s GLU 117 N -3.55 0.71 0.17 3.56 2.56 -1.26 -5.12 118.70 115.78 1jc4 s GLU 117 Ca -0.03 -0.30 -0.32 0.00 0.00 0.00 0.00 54.97 54.32 1jc4 s GLU 117 Cb 0.11 -0.69 -0.17 0.00 2.00 0.00 0.00 34.13 35.39 1jc4 s GLU 117 CO 0.81 0.17 0.92 -2.30 -0.56 0.00 0.00 175.26 174.29 1jc4 n PRO 118 N 2.93 0.62 -3.40 4.30 -0.02 -1.26 -4.98 135.00 133.20 1jc4 n PRO 118 Ca -0.14 0.22 -0.19 0.00 -2.02 0.00 0.00 63.50 61.37 1jc4 n PRO 118 Cb 0.57 -1.54 -0.00 0.00 -0.02 0.00 0.00 33.50 32.51 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 -0.70 3.02 -0.11 -0.52 3.01 0.91 -4.82 119.74 120.53 1jc4 s LYS 119 Ca 0.71 -1.09 -0.13 0.00 -1.01 0.00 0.00 55.97 54.45 1jc4 s LYS 119 Cb -0.92 -2.78 -0.05 0.00 -1.01 0.00 0.00 37.83 33.07 1jc4 s LYS 119 CO 0.55 -0.01 0.30 -1.17 0.51 0.00 0.00 175.35 175.54 1jc4 s LEU 120 N -4.20 4.33 0.00 3.17 2.96 -1.26 0.04 118.68 123.72 1jc4 s LEU 120 Ca 0.47 0.62 0.00 0.00 -0.22 0.00 0.00 54.13 55.00 1jc4 s LEU 120 Cb -0.09 -2.39 0.00 0.00 0.50 0.00 0.00 46.19 44.21 1jc4 s LEU 120 CO 0.31 0.20 0.00 0.61 -1.32 0.00 0.00 176.35 176.16 1jc4 n GLY 121 N 2.76 6.55 3.78 7.98 0.00 0.93 -4.91 105.19 122.26 1jc4 n GLY 121 Ca -0.14 -2.08 -0.36 0.00 0.00 0.00 0.00 46.02 43.44 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 0.46 3.31 0.00 2.61 -4.23 -1.26 -3.13 115.64 113.40 1jc4 s THR 122 Ca 0.00 0.95 0.00 0.00 -1.18 0.00 0.00 61.69 61.46 1jc4 s THR 122 Cb 0.00 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.37 1jc4 s THR 122 CO 0.00 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 1jc4 n GLY 123 N 0.33 1.40 1.37 3.99 0.00 -1.26 -3.34 105.19 107.68 1jc4 n GLY 123 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 0.74 3.82 -0.02 0.00 -1.18 -4.83 105.19 101.72 1jc4 n GLY 124 Ca 0.00 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.68 6.98 -0.02 1.61 -0.87 -1.21 -4.16 114.94 114.58 1jc4 s ASN 125 Ca 0.00 1.21 -0.18 0.00 -1.57 0.00 0.00 52.86 52.32 1jc4 s ASN 125 Cb 0.00 -2.34 -0.05 0.00 -0.02 0.00 0.00 41.25 38.84 1jc4 s ASN 125 CO 0.00 0.20 0.50 -0.13 -2.57 0.00 0.00 177.10 175.10 1jc4 s ARG 126 N -1.47 4.19 0.19 -0.60 0.52 -0.93 -0.05 118.95 120.80 1jc4 s ARG 126 Ca 0.33 0.56 -0.06 0.00 -0.52 0.00 0.00 55.73 56.03 1jc4 s ARG 126 Cb -0.18 -3.32 -0.02 0.00 0.52 0.00 0.00 34.95 31.96 1jc4 s ARG 126 CO 0.19 0.45 0.25 0.96 0.02 0.00 0.00 175.30 177.17 1jc4 s ILE 127 N -0.38 0.03 0.22 1.52 -4.36 0.11 -1.17 121.20 117.16 1jc4 s ILE 127 Ca 0.27 -1.66 -0.23 0.00 -0.26 0.00 0.00 60.65 58.77 1jc4 s ILE 127 Cb -0.17 -2.17 0.04 0.00 1.25 0.00 0.00 42.46 41.41 1jc4 s ILE 127 CO 0.14 -0.16 0.80 0.21 0.24 0.00 0.00 174.94 176.17 1jc4 s ASN 128 N -3.05 -0.26 0.00 4.36 3.84 -0.71 -0.06 114.94 119.05 1jc4 s ASN 128 Ca 0.26 -0.47 0.00 0.00 0.21 0.00 0.00 52.86 52.86 1jc4 s ASN 128 Cb 0.04 0.63 0.00 0.00 -0.55 0.00 0.00 41.25 41.37 1jc4 s ASN 128 CO 0.06 -1.14 0.00 0.49 -2.79 0.00 0.00 177.10 173.72 1jc4 n PHE 129 N -0.45 0.00 -4.59 0.43 3.01 -1.26 -0.24 117.46 114.36 1jc4 n PHE 129 Ca -0.06 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.07 1jc4 n PHE 129 Cb 0.60 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.96 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 2.58 2.89 0.31 1.38 3.76 -0.26 -0.51 115.29 125.44 1jc4 s HIS 131 Ca 0.00 -0.02 0.13 0.00 -0.15 0.00 0.00 55.06 55.02 1jc4 s HIS 131 Cb 0.00 -1.66 1.02 0.00 1.11 0.00 0.00 32.58 33.05 1jc4 s HIS 131 CO 0.00 0.33 1.39 -2.30 -0.85 0.00 0.00 174.74 173.31 1jc4 n PRO 132 N 1.98 -0.06 -0.14 8.40 -0.02 -1.26 0.24 135.00 144.14 1jc4 n PRO 132 Ca -0.17 1.25 -0.01 0.00 -2.02 0.00 0.00 63.50 62.55 1jc4 n PRO 132 Cb 0.53 -2.16 0.24 0.00 -0.02 0.00 0.00 33.50 32.09 1jc4 n PRO 132 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1jc4 h LYS 133 N 0.00 0.83 -0.14 -0.52 1.79 -1.93 1.48 116.57 118.08 1jc4 h LYS 133 Ca 0.68 -0.11 -0.03 0.00 -2.18 0.00 0.00 60.65 59.01 1jc4 h LYS 133 Cb 1.69 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 32.18 1jc4 h LYS 133 CO -0.73 0.66 -0.03 0.77 -1.08 0.00 0.00 179.45 179.05 1jc4 h SER 134 N 0.82 0.27 -0.23 0.86 0.02 0.27 -1.97 113.55 113.60 1jc4 h SER 134 Ca 0.20 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1jc4 h SER 134 Cb 0.12 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1jc4 h SER 134 CO -0.02 0.56 0.00 0.61 -1.14 0.00 0.00 176.83 176.84 1jc4 n GLY 135 N -0.17 0.16 4.06 -3.77 0.00 -0.55 -4.93 105.19 99.99 1jc4 n GLY 135 Ca -0.06 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 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 0.18 -0.34 0.00 1.61 5.02 0.48 -2.79 118.16 122.33 1jc4 n LYS 136 Ca 0.08 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1jc4 n LYS 136 Cb 0.21 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.14 1jc4 n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jc4 n GLY 137 N -2.00 3.48 3.91 0.72 0.00 0.30 -4.98 105.19 106.62 1jc4 n GLY 137 Ca -0.11 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 1jc4 n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jc4 s VAL 138 N 0.00 5.24 -0.24 1.61 0.11 -1.12 -4.98 120.40 121.03 1jc4 s VAL 138 Ca 0.00 -0.55 -0.27 0.00 -2.93 0.00 0.00 61.98 58.23 1jc4 s VAL 138 Cb 0.00 -3.60 0.00 0.00 -1.53 0.00 0.00 36.38 31.25 1jc4 s VAL 138 CO 0.00 0.06 0.95 -0.22 -3.33 0.00 0.00 175.10 172.55 1jc4 s LEU 139 N -2.74 4.09 -0.21 2.54 2.96 -1.26 -4.31 118.68 119.74 1jc4 s LEU 139 Ca 0.34 1.22 -0.02 0.00 -0.22 0.00 0.00 54.13 55.45 1jc4 s LEU 139 Cb -0.12 -3.38 0.01 0.00 0.50 0.00 0.00 46.19 43.19 1jc4 s LEU 139 CO 0.27 -0.60 -0.10 -0.63 -1.32 0.00 0.00 176.35 173.97 1jc4 s ILE 140 N 3.05 2.84 0.17 6.68 1.01 -1.26 -4.64 121.20 129.04 1jc4 s ILE 140 Ca 0.40 -0.76 -0.07 0.00 0.00 0.00 0.00 60.65 60.23 1jc4 s ILE 140 Cb -0.15 -2.30 -0.06 0.00 0.01 0.00 0.00 42.46 39.96 1jc4 s ILE 140 CO 0.07 0.41 0.43 -0.70 0.00 0.00 0.00 174.94 175.15 1jc4 s GLU 141 N 1.38 3.69 -0.14 2.79 2.12 -1.26 -4.52 118.70 122.76 1jc4 s GLU 141 Ca 0.04 0.05 -0.00 0.00 0.36 0.00 0.00 54.97 55.42 1jc4 s GLU 141 Cb -0.14 -2.79 -0.01 0.00 0.26 0.00 0.00 34.13 31.44 1jc4 s GLU 141 CO -0.07 0.42 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.43 1jc4 s LEU 142 N -2.67 2.68 -0.02 2.70 1.43 0.67 -0.31 118.68 123.16 1jc4 s LEU 142 Ca 0.43 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1jc4 s LEU 142 Cb -0.12 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.51 1jc4 s LEU 142 CO 0.23 0.14 0.01 0.28 0.23 0.00 0.00 176.35 177.25 1jc4 s THR 143 N 0.48 0.03 -0.09 5.49 -1.32 -0.79 -1.74 115.64 117.70 1jc4 s THR 143 Ca -0.09 0.11 0.04 0.00 -1.21 0.00 0.00 61.69 60.53 1jc4 s THR 143 Cb -0.16 -0.12 -0.01 0.00 -1.51 0.00 0.00 72.50 70.71 1jc4 s THR 143 CO 0.04 0.08 -0.22 -1.58 -2.21 0.00 0.00 174.62 170.73 1jc4 s GLN 144 N 0.71 2.95 0.47 7.08 0.74 -0.32 -0.96 119.66 130.33 1jc4 s GLN 144 Ca -0.06 -0.84 -0.21 0.00 0.05 0.00 0.00 55.36 54.30 1jc4 s GLN 144 Cb -0.09 -2.33 -0.09 0.00 1.10 0.00 0.00 33.01 31.61 1jc4 s GLN 144 CO -0.02 0.26 1.03 0.71 -0.55 0.00 0.00 175.29 176.73 1jc4 s TYR 145 N 0.15 3.05 -0.18 1.67 1.51 -1.26 -2.19 117.35 120.10 1jc4 s TYR 145 Ca -0.12 1.59 -0.16 0.00 -1.01 0.00 0.00 57.07 57.37 1jc4 s TYR 145 Cb -0.16 -3.05 -0.04 0.00 -0.11 0.00 0.00 41.96 38.60 1jc4 s TYR 145 CO 0.06 -0.74 0.40 -1.25 -1.11 0.00 0.00 175.55 172.92 1jc4 s PRO 146 N -3.16 4.23 0.00 -1.71 0.04 -1.26 -4.90 135.00 128.25 1jc4 s PRO 146 Ca 0.66 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.94 1jc4 s PRO 146 Cb -0.16 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.89 1jc4 s PRO 146 CO 0.20 0.05 0.00 1.63 0.04 0.00 0.00 177.00 178.92