#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jc4 n GLU 4 N 0.00 0.00 -2.57 -3.83 0.28 -1.26 -5.11 120.64 108.15 1jc4 n GLU 4 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.57 1jc4 n GLU 4 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 1jc4 n GLU 4 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1jc4 s ASP 5 N 0.00 6.59 0.28 -1.84 1.11 -1.26 -4.86 116.67 116.69 1jc4 s ASP 5 Ca 0.00 0.48 0.17 0.00 0.18 0.00 0.00 52.55 53.38 1jc4 s ASP 5 Cb 0.00 -2.55 0.09 0.00 1.07 0.00 0.00 42.92 41.53 1jc4 s ASP 5 CO 0.00 -1.29 1.40 -0.07 1.18 0.00 0.00 175.17 176.39 1jc4 h LEU 6 N 11.38 0.00 -8.43 1.23 3.38 -1.99 -3.46 115.31 117.43 1jc4 h LEU 6 Ca -0.24 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.06 1jc4 h LEU 6 Cb 1.06 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.50 1jc4 h LEU 6 CO 1.13 0.41 -0.88 -0.36 0.09 0.00 0.00 178.44 178.83 1jc4 s PHE 7 N -3.01 2.41 -0.01 1.13 0.40 -1.26 -4.52 117.98 113.13 1jc4 s PHE 7 Ca 0.04 -0.78 -0.22 0.00 -0.60 0.00 0.00 56.93 55.37 1jc4 s PHE 7 Cb 0.07 -1.59 -0.21 0.00 0.51 0.00 0.00 43.02 41.80 1jc4 s PHE 7 CO 0.74 -0.26 1.15 0.82 0.70 0.00 0.00 175.22 178.36 1jc4 h ILE 8 N 5.23 1.45 0.00 0.64 2.04 -1.68 -3.49 117.51 121.69 1jc4 h ILE 8 Ca -0.29 -1.80 0.00 0.00 1.00 0.00 0.00 64.86 63.77 1jc4 h ILE 8 Cb 1.19 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 39.71 1jc4 h ILE 8 CO 0.47 0.51 0.00 0.00 0.00 0.00 0.00 178.15 179.13 1jc4 s ILE 10 N -2.00 4.17 -0.01 0.00 1.01 -1.26 -1.07 121.20 122.04 1jc4 s ILE 10 Ca 0.00 1.34 -0.25 0.00 0.00 0.00 0.00 60.65 61.73 1jc4 s ILE 10 Cb 0.00 -4.15 -0.19 0.00 0.01 0.00 0.00 42.46 38.12 1jc4 s ILE 10 CO 0.00 -0.44 1.30 -0.78 0.00 0.00 0.00 174.94 175.02 1jc4 h ASP 11 N 9.13 -0.02 -4.94 3.58 3.58 -0.57 -3.37 116.42 123.81 1jc4 h ASP 11 Ca -0.26 -0.42 0.02 0.00 0.42 0.00 0.00 57.03 56.80 1jc4 h ASP 11 Cb 1.10 0.01 -0.12 0.00 1.72 0.00 0.00 39.33 42.03 1jc4 h ASP 11 CO 1.03 0.41 0.28 -1.38 -2.88 0.00 0.00 179.24 176.69 1jc4 s HIS 12 N -4.46 -0.46 -0.22 0.28 -3.43 -1.12 -1.23 115.29 104.66 1jc4 s HIS 12 Ca -0.15 0.24 -0.02 0.00 -0.80 0.00 0.00 55.06 54.32 1jc4 s HIS 12 Cb 0.02 0.57 0.01 0.00 -1.43 0.00 0.00 32.58 31.75 1jc4 s HIS 12 CO 0.66 -0.82 -0.08 0.08 -2.00 0.00 0.00 174.74 172.57 1jc4 s VAL 13 N -3.63 2.95 0.08 -5.38 1.01 -0.45 -0.82 120.40 114.16 1jc4 s VAL 13 Ca 0.03 -0.71 -0.27 0.00 0.00 0.00 0.00 61.98 61.02 1jc4 s VAL 13 Cb -0.01 -2.36 -0.06 0.00 0.00 0.00 0.00 36.38 33.95 1jc4 s VAL 13 CO -0.10 0.40 0.86 0.00 0.00 0.00 0.00 175.10 176.26 1jc4 s ALA 14 N 1.40 3.31 -0.12 5.51 0.00 0.26 -1.53 121.76 130.60 1jc4 s ALA 14 Ca 0.04 0.42 -0.00 0.00 0.00 0.00 0.00 51.96 52.42 1jc4 s ALA 14 Cb -0.14 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 19.87 1jc4 s ALA 14 CO -0.06 0.03 -0.09 -0.47 0.00 0.00 0.00 175.76 175.16 1jc4 s TYR 15 N -0.05 1.66 -0.03 0.00 5.04 0.12 0.33 117.35 124.41 1jc4 s TYR 15 Ca 0.42 -0.85 -0.14 0.00 -2.44 0.00 0.00 57.07 54.06 1jc4 s TYR 15 Cb -0.22 -1.32 -0.05 0.00 0.35 0.00 0.00 41.96 40.72 1jc4 s TYR 15 CO 0.26 -0.54 0.37 0.00 -1.34 0.00 0.00 175.55 174.30 1jc4 s ALA 16 N 1.61 3.70 0.25 3.97 0.00 -0.04 -4.22 121.76 127.03 1jc4 s ALA 16 Ca 0.04 -0.28 -0.15 0.00 0.00 0.00 0.00 51.96 51.57 1jc4 s ALA 16 Cb -0.13 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.65 1jc4 s ALA 16 CO -0.08 0.45 0.54 0.00 0.00 0.00 0.00 175.76 176.67 1jc4 h PRO 18 N 2.18 0.00 -3.17 0.00 0.13 -1.98 -3.36 132.00 125.81 1jc4 h PRO 18 Ca -0.24 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.35 1jc4 h PRO 18 Cb 1.25 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.98 1jc4 h PRO 18 CO 0.32 0.54 -0.77 0.34 -0.23 0.00 0.00 178.00 178.20 1jc4 s ASP 19 N -6.51 3.57 0.21 1.44 -1.08 -1.26 -4.47 116.67 108.57 1jc4 s ASP 19 Ca 0.02 -1.32 -0.08 0.00 -0.52 0.00 0.00 52.55 50.65 1jc4 s ASP 19 Cb 0.10 -0.56 0.16 0.00 -1.46 0.00 0.00 42.92 41.16 1jc4 s ASP 19 CO 0.73 -0.41 1.78 0.00 0.52 0.00 0.00 175.17 177.80 1jc4 h ALA 20 N 8.27 1.05 -0.00 3.66 0.00 -1.91 -1.83 119.26 128.50 1jc4 h ALA 20 Ca -0.17 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1jc4 h ALA 20 Cb 1.03 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1jc4 h ALA 20 CO 0.43 0.67 -0.47 -0.44 0.00 0.00 0.00 179.25 179.44 1jc4 h ASP 21 N 1.17 0.01 -0.20 0.00 3.32 -1.97 -2.18 116.42 116.57 1jc4 h ASP 21 Ca 0.27 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.19 1jc4 h ASP 21 Cb 0.21 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1jc4 h ASP 21 CO -0.02 0.47 -0.38 -0.08 -1.72 0.00 0.00 179.24 177.51 1jc4 h GLU 22 N 0.01 0.61 -0.78 3.56 4.81 -1.91 -2.26 114.58 118.61 1jc4 h GLU 22 Ca -0.00 -0.39 0.04 0.00 -0.13 0.00 0.00 59.36 58.88 1jc4 h GLU 22 Cb 0.83 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.20 1jc4 h GLU 22 CO 0.06 1.00 0.49 0.00 -0.73 0.00 0.00 179.01 179.83 1jc4 h ALA 23 N 0.60 1.04 0.10 2.92 0.00 -1.16 -1.42 119.26 121.34 1jc4 h ALA 23 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jc4 h ALA 23 Cb 0.98 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1jc4 h ALA 23 CO 0.08 0.27 -0.05 1.03 0.00 0.00 0.00 179.25 180.58 1jc4 h SER 24 N 0.93 -0.11 -0.59 0.00 0.87 -1.32 -0.59 113.55 112.74 1jc4 h SER 24 Ca 0.32 -0.16 0.09 0.00 -1.23 0.00 0.00 61.79 60.81 1jc4 h SER 24 Cb 0.07 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 61.99 1jc4 h SER 24 CO -0.13 0.10 0.22 0.11 -0.53 0.00 0.00 176.83 176.59 1jc4 h LYS 25 N -0.32 0.38 0.07 2.24 1.57 -1.21 -0.03 116.57 119.28 1jc4 h LYS 25 Ca -0.01 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1jc4 h LYS 25 Cb 0.27 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1jc4 h LYS 25 CO 0.02 0.25 -0.10 -0.92 -0.57 0.00 0.00 179.45 178.14 1jc4 h TYR 26 N 0.40 -0.25 -0.79 -1.35 3.20 -1.07 0.86 116.97 117.96 1jc4 h TYR 26 Ca 0.29 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.23 1jc4 h TYR 26 Cb 0.35 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.67 1jc4 h TYR 26 CO -0.17 -0.15 0.47 1.88 -1.64 0.00 0.00 178.16 178.55 1jc4 h TYR 27 N -0.21 0.87 0.40 -3.82 -1.99 -0.49 0.41 116.97 112.15 1jc4 h TYR 27 Ca 0.01 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.75 1jc4 h TYR 27 Cb 0.21 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 38.67 1jc4 h TYR 27 CO -0.13 0.43 -0.19 1.96 -0.00 0.00 0.00 178.16 180.23 1jc4 h GLN 28 N 0.86 -0.52 -0.36 4.88 4.20 -0.69 -0.44 115.11 123.04 1jc4 h GLN 28 Ca 0.35 0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.94 1jc4 h GLN 28 Cb 0.19 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 1jc4 h GLN 28 CO -0.18 -0.21 -0.39 0.93 -0.67 0.00 0.00 178.83 178.31 1jc4 h GLU 29 N -0.84 0.91 0.07 1.46 5.08 -0.69 -2.00 114.58 118.57 1jc4 h GLU 29 Ca -0.05 -0.49 -0.30 0.00 -1.00 0.00 0.00 59.36 57.51 1jc4 h GLU 29 Cb 0.54 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1jc4 h GLU 29 CO 0.09 1.14 -1.64 1.15 -1.00 0.00 0.00 179.01 178.75 1jc4 h THR 30 N 0.72 0.78 0.00 1.13 2.02 -0.30 -3.41 112.91 113.85 1jc4 h THR 30 Ca 0.05 -2.28 0.00 0.00 0.77 0.00 0.00 66.41 64.95 1jc4 h THR 30 Cb 0.99 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 1jc4 h THR 30 CO 0.10 0.64 -1.17 0.49 0.37 0.00 0.00 175.52 175.95 1jc4 n PHE 31 N -3.92 0.11 -1.09 3.16 3.72 -0.61 -4.97 117.46 113.86 1jc4 n PHE 31 Ca -0.31 0.03 -0.03 0.00 -0.05 0.00 0.00 57.45 57.09 1jc4 n PHE 31 Cb 0.88 -0.29 -0.01 0.00 -0.94 0.00 0.00 39.48 39.12 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 1.40 0.63 3.92 1.37 0.00 -0.27 -4.97 105.19 107.27 1jc4 n GLY 32 Ca 0.02 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.12 2.82 0.02 1.61 0.52 -0.71 -4.80 118.94 116.28 1jc4 s TRP 33 Ca 0.00 0.50 0.07 0.00 0.02 0.00 0.00 56.10 56.69 1jc4 s TRP 33 Cb 0.00 -3.33 -0.02 0.00 -1.15 0.00 0.00 33.47 28.97 1jc4 s TRP 33 CO 0.00 -1.59 -0.20 -1.01 0.02 0.00 0.00 176.95 174.18 1jc4 s HIS 34 N -3.37 1.73 -0.32 -1.98 3.76 0.15 -3.94 115.29 111.32 1jc4 s HIS 34 Ca 0.62 -0.35 -0.24 0.00 -0.15 0.00 0.00 55.06 54.93 1jc4 s HIS 34 Cb -0.10 -1.06 0.00 0.00 1.11 0.00 0.00 32.58 32.53 1jc4 s HIS 34 CO 0.46 0.04 0.83 -2.00 -0.85 0.00 0.00 174.74 173.22 1jc4 s GLU 35 N -0.87 3.93 -0.02 1.40 2.12 -1.26 -0.99 118.70 123.01 1jc4 s GLU 35 Ca 0.07 0.59 0.22 0.00 0.36 0.00 0.00 54.97 56.21 1jc4 s GLU 35 Cb -0.08 -3.75 -0.33 0.00 0.26 0.00 0.00 34.13 30.24 1jc4 s GLU 35 CO 0.01 -0.75 0.52 1.28 -0.54 0.00 0.00 175.26 175.78 1jc4 n LEU 36 N 6.34 0.09 -3.63 2.70 4.77 -1.26 -5.00 117.00 121.02 1jc4 n LEU 36 Ca 0.05 -0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.88 1jc4 n LEU 36 Cb 0.48 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 1jc4 n LEU 36 CO 0.52 0.02 0.64 -2.28 -1.33 0.00 0.00 177.39 174.96 1jc4 s HIS 37 N -3.48 -0.56 -0.05 -1.77 5.04 -1.26 -5.15 115.29 108.07 1jc4 s HIS 37 Ca -0.07 1.32 -0.00 0.00 -1.54 0.00 0.00 55.06 54.77 1jc4 s HIS 37 Cb 0.14 0.35 0.03 0.00 0.04 0.00 0.00 32.58 33.14 1jc4 s HIS 37 CO 0.91 -0.30 0.01 0.50 -2.34 0.00 0.00 174.74 173.52 1jc4 s ARG 38 N 0.09 0.38 0.00 2.88 3.52 -1.26 -4.21 118.95 120.35 1jc4 s ARG 38 Ca 0.01 0.12 0.02 0.00 -0.13 0.00 0.00 55.73 55.76 1jc4 s ARG 38 Cb -0.04 -0.67 -0.01 0.00 -1.56 0.00 0.00 34.95 32.67 1jc4 s ARG 38 CO -0.03 -0.22 -0.08 -2.00 -0.81 0.00 0.00 175.30 172.17 1jc4 s GLU 39 N 1.51 0.60 -0.17 5.12 2.12 -0.01 -5.01 118.70 122.86 1jc4 s GLU 39 Ca -0.03 -0.32 0.01 0.00 0.36 0.00 0.00 54.97 54.99 1jc4 s GLU 39 Cb -0.13 -0.57 0.01 0.00 0.26 0.00 0.00 34.13 33.70 1jc4 s GLU 39 CO -0.03 0.15 -0.19 -2.00 -0.54 0.00 0.00 175.26 172.66 1jc4 s GLU 40 N -0.32 3.05 -0.74 4.30 2.12 -1.26 -0.60 118.70 125.25 1jc4 s GLU 40 Ca 0.02 -0.81 -0.07 0.00 0.36 0.00 0.00 54.97 54.46 1jc4 s GLU 40 Cb -0.04 -2.59 0.19 0.00 0.26 0.00 0.00 34.13 31.96 1jc4 s GLU 40 CO -0.00 -0.15 0.61 1.21 -0.54 0.00 0.00 175.26 176.39 1jc4 s ASN 41 N 1.17 5.95 0.16 -1.70 3.84 0.48 -4.94 114.94 119.90 1jc4 s ASN 41 Ca 0.02 -2.88 -0.19 0.00 0.21 0.00 0.00 52.86 50.02 1jc4 s ASN 41 Cb -0.14 -2.01 0.06 0.00 -0.55 0.00 0.00 41.25 38.61 1jc4 s ASN 41 CO -0.09 -0.43 1.67 -0.65 -2.79 0.00 0.00 177.10 174.80 1jc4 h PRO 42 N 7.24 -0.06 -0.39 0.43 0.11 -1.97 0.58 132.00 137.94 1jc4 h PRO 42 Ca 0.05 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.23 1jc4 h PRO 42 Cb 0.98 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1jc4 h PRO 42 CO 0.74 -0.04 0.27 1.49 -0.21 0.00 0.00 178.00 180.25 1jc4 h GLU 43 N -0.06 0.27 0.00 1.05 4.81 -1.96 -2.16 114.58 116.54 1jc4 h GLU 43 Ca 0.16 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1jc4 h GLU 43 Cb 0.31 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1jc4 h GLU 43 CO -0.37 0.18 -1.30 0.94 -0.73 0.00 0.00 179.01 177.73 1jc4 n GLN 44 N -4.47 0.62 -2.20 1.92 -0.06 -0.39 -4.98 117.38 107.81 1jc4 n GLN 44 Ca 0.05 0.10 -0.06 0.00 -2.00 0.00 0.00 57.00 55.10 1jc4 n GLN 44 Cb 0.26 -1.77 0.00 0.00 -4.06 0.00 0.00 30.24 24.67 1jc4 n GLN 44 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1jc4 n GLY 45 N 1.27 0.20 2.99 1.69 0.00 0.19 -4.53 105.19 107.00 1jc4 n GLY 45 Ca -0.04 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.39 0.25 -0.07 1.61 1.01 -1.08 -0.49 120.40 119.25 1jc4 s VAL 46 Ca 0.02 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.26 1jc4 s VAL 46 Cb -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 1jc4 s VAL 46 CO 0.03 -0.35 -0.23 0.54 0.00 0.00 0.00 175.10 175.08 1jc4 s VAL 47 N -1.15 1.93 -0.03 2.92 0.11 -0.74 -0.38 120.40 123.06 1jc4 s VAL 47 Ca -0.11 -0.98 0.03 0.00 -2.93 0.00 0.00 61.98 57.99 1jc4 s VAL 47 Cb -0.08 -1.65 0.00 0.00 -1.53 0.00 0.00 36.38 33.12 1jc4 s VAL 47 CO -0.00 0.54 -0.11 -1.61 -3.33 0.00 0.00 175.10 170.59 1jc4 s GLU 48 N 0.06 1.16 0.00 1.54 2.02 0.23 -1.78 118.70 121.94 1jc4 s GLU 48 Ca -0.09 -0.36 0.00 0.00 0.02 0.00 0.00 54.97 54.54 1jc4 s GLU 48 Cb -0.15 -1.05 0.00 0.00 0.10 0.00 0.00 34.13 33.03 1jc4 s GLU 48 CO 0.05 0.12 0.00 -0.89 0.02 0.00 0.00 175.26 174.56 1jc4 n ILE 49 N 3.34 0.00 -3.58 -1.63 5.41 -0.33 -0.83 119.36 121.74 1jc4 n ILE 49 Ca -0.19 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.46 1jc4 n ILE 49 Cb 0.54 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.42 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 -1.95 -1.25 -1.39 0.00 -0.16 -0.49 121.76 114.52 1jc4 s ALA 52 Ca 0.00 1.62 0.17 0.00 0.00 0.00 0.00 51.96 53.75 1jc4 s ALA 52 Cb 0.00 -0.80 0.80 0.00 0.00 0.00 0.00 23.12 23.12 1jc4 s ALA 52 CO 0.00 -0.30 1.52 -0.35 0.00 0.00 0.00 175.76 176.63 1jc4 n PRO 53 N 0.74 0.14 -4.19 0.00 -0.04 -1.26 0.34 135.00 130.73 1jc4 n PRO 53 Ca -0.09 0.16 -0.11 0.00 -0.04 0.00 0.00 63.50 63.41 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 -2.75 1.10 0.27 0.55 0.00 -1.26 -4.76 121.76 114.91 1jc4 s ALA 54 Ca 0.13 -1.44 0.05 0.00 0.00 0.00 0.00 51.96 50.70 1jc4 s ALA 54 Cb 0.11 0.33 0.38 0.00 0.00 0.00 0.00 23.12 23.93 1jc4 s ALA 54 CO 0.28 -0.28 1.66 0.00 0.00 0.00 0.00 175.76 177.42 1jc4 h ALA 55 N 2.87 1.02 -3.36 0.00 0.00 -1.95 -3.42 119.26 114.42 1jc4 h ALA 55 Ca -0.36 -0.44 -0.64 0.00 0.00 0.00 0.00 54.91 53.48 1jc4 h ALA 55 Cb 1.18 -0.09 -0.33 0.00 0.00 0.00 0.00 17.79 18.55 1jc4 h ALA 55 CO 0.64 0.62 -0.86 0.15 0.00 0.00 0.00 179.25 179.80 1jc4 s LYS 56 N -4.10 2.70 0.40 0.00 1.02 -1.26 -5.02 119.74 113.48 1jc4 s LYS 56 Ca -0.05 -0.76 -0.25 0.00 0.02 0.00 0.00 55.97 54.93 1jc4 s LYS 56 Cb 0.13 -2.07 -0.09 0.00 -0.52 0.00 0.00 37.83 35.29 1jc4 s LYS 56 CO 0.79 0.14 1.19 -0.51 -0.92 0.00 0.00 175.35 176.03 1jc4 s LEU 57 N 0.43 4.21 0.38 3.17 1.43 -1.26 -5.04 118.68 121.99 1jc4 s LEU 57 Ca -0.18 2.40 0.06 0.00 -1.03 0.00 0.00 54.13 55.38 1jc4 s LEU 57 Cb -0.17 -3.99 -0.00 0.00 0.03 0.00 0.00 46.19 42.06 1jc4 s LEU 57 CO 0.08 -0.68 0.54 0.42 0.23 0.00 0.00 176.35 176.93 1jc4 s THR 58 N -1.38 3.73 0.22 5.49 -4.23 -1.26 -5.01 115.64 113.21 1jc4 s THR 58 Ca 0.57 -0.91 -0.17 0.00 -1.18 0.00 0.00 61.69 59.99 1jc4 s THR 58 Cb -0.32 -3.30 0.24 0.00 1.34 0.00 0.00 72.50 70.46 1jc4 s THR 58 CO 0.40 -0.13 1.51 1.21 -0.54 0.00 0.00 174.62 177.07 1jc4 n GLU 59 N -1.79 -0.23 -4.22 3.99 0.00 -1.26 -4.91 120.64 112.23 1jc4 n GLU 59 Ca 0.02 1.49 -0.34 0.00 0.00 0.00 0.00 57.16 58.34 1jc4 n GLU 59 Cb 0.58 -2.22 -0.14 0.00 0.00 0.00 0.00 31.44 29.67 1jc4 n GLU 59 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1jc4 s HIS 60 N -5.92 2.93 -0.10 4.31 3.76 -1.26 -5.06 115.29 113.95 1jc4 s HIS 60 Ca -0.13 -0.74 -0.08 0.00 -0.15 0.00 0.00 55.06 53.96 1jc4 s HIS 60 Cb 0.20 -2.01 0.03 0.00 1.11 0.00 0.00 32.58 31.91 1jc4 s HIS 60 CO 0.69 -0.37 0.25 0.99 -0.85 0.00 0.00 174.74 175.46 1jc4 s THR 62 N 0.99 -0.01 0.42 1.30 2.01 -1.26 -4.88 115.64 114.21 1jc4 s THR 62 Ca -0.00 0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.11 1jc4 s THR 62 Cb -0.15 -0.37 -0.02 0.00 0.01 0.00 0.00 72.50 71.97 1jc4 s THR 62 CO 0.00 0.02 0.36 -1.10 -0.69 0.00 0.00 174.62 173.20 1jc4 s GLN 63 N 0.45 2.50 -0.22 4.92 -0.21 -0.36 -4.82 119.66 121.90 1jc4 s GLN 63 Ca -0.03 -1.57 -0.05 0.00 0.02 0.00 0.00 55.36 53.73 1jc4 s GLN 63 Cb -0.04 -2.33 -0.02 0.00 1.00 0.00 0.00 33.01 31.62 1jc4 s GLN 63 CO -0.02 -0.19 -0.01 0.08 -2.12 0.00 0.00 175.29 173.03 1jc4 s VAL 64 N -2.49 3.71 -0.33 1.09 1.01 -1.26 -1.35 120.40 120.78 1jc4 s VAL 64 Ca 0.47 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 1jc4 s VAL 64 Cb -0.02 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1jc4 s VAL 64 CO 0.27 0.40 0.22 -1.58 0.00 0.00 0.00 175.10 174.41 1jc4 s GLN 65 N 1.41 3.55 0.66 2.72 0.74 -0.58 -4.76 119.66 123.40 1jc4 s GLN 65 Ca 0.05 -0.60 0.01 0.00 0.05 0.00 0.00 55.36 54.87 1jc4 s GLN 65 Cb -0.15 -3.74 0.10 0.00 1.10 0.00 0.00 33.01 30.32 1jc4 s GLN 65 CO -0.00 -0.40 0.92 0.08 -0.55 0.00 0.00 175.29 175.34 1jc4 s VAL 66 N 1.71 2.26 0.00 1.34 1.01 0.36 0.13 120.40 127.21 1jc4 s VAL 66 Ca 0.06 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1jc4 s VAL 66 Cb -0.17 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.62 1jc4 s VAL 66 CO 0.10 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.20 1jc4 n ALA 68 N -2.65 0.00 -1.78 5.51 0.00 -0.73 -1.18 120.51 119.67 1jc4 n ALA 68 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.21 1jc4 n ALA 68 Cb 0.60 0.00 -0.05 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 -2.00 4.29 -0.00 0.00 0.04 -1.26 -1.78 135.00 134.29 1jc4 s PRO 69 Ca 0.00 1.43 0.08 0.00 0.04 0.00 0.00 61.00 62.55 1jc4 s PRO 69 Cb 0.00 -2.59 -0.10 0.00 0.04 0.00 0.00 34.50 31.86 1jc4 s PRO 69 CO 0.00 -0.01 0.30 1.28 0.04 0.00 0.00 177.00 178.61 1jc4 n LEU 70 N 0.06 0.28 -3.47 -3.56 4.77 0.36 -4.86 117.00 110.58 1jc4 n LEU 70 Ca 0.04 -0.37 -0.10 0.00 -0.03 0.00 0.00 56.01 55.55 1jc4 n LEU 70 Cb 0.50 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1jc4 n LEU 70 CO 0.44 0.07 0.54 0.54 -1.33 0.00 0.00 177.39 177.65 1jc4 s ASN 71 N -2.06 -0.46 0.31 -1.43 2.20 -1.25 -5.01 114.94 107.24 1jc4 s ASN 71 Ca 0.02 -0.02 0.23 0.00 -0.94 0.00 0.00 52.86 52.15 1jc4 s ASN 71 Cb 0.06 0.50 1.13 0.00 -2.00 0.00 0.00 41.25 40.94 1jc4 s ASN 71 CO 0.33 -0.82 1.71 0.44 -2.94 0.00 0.00 177.10 175.83 1jc4 h ASP 72 N 2.00 0.00 0.86 3.54 3.32 -1.96 -2.91 116.42 121.27 1jc4 h ASP 72 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1jc4 h ASP 72 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1jc4 h ASP 72 CO 0.34 0.00 -0.50 -0.62 -1.72 0.00 0.00 179.24 176.74 1jc4 n GLU 73 N -2.30 0.21 -0.86 3.56 -0.58 -1.26 -4.38 120.64 115.04 1jc4 n GLU 73 Ca 0.00 0.08 -0.31 0.00 -0.42 0.00 0.00 57.16 56.51 1jc4 n GLU 73 Cb 0.13 -1.65 0.15 0.00 -0.57 0.00 0.00 31.44 29.49 1jc4 n GLU 73 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1jc4 s SER 74 N -3.94 3.36 0.18 1.62 1.04 -1.10 -4.86 113.70 110.00 1jc4 s SER 74 Ca 0.08 2.08 -0.11 0.00 0.48 0.00 0.00 55.95 58.48 1jc4 s SER 74 Cb 0.14 -2.55 0.09 0.00 0.10 0.00 0.00 66.02 63.80 1jc4 s SER 74 CO 0.69 -2.81 1.72 0.74 0.98 0.00 0.00 173.24 174.56 1jc4 h THR 75 N -1.67 1.25 -0.75 2.02 2.02 -1.90 -2.57 112.91 111.31 1jc4 h THR 75 Ca -0.43 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 65.91 1jc4 h THR 75 Cb 1.26 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.21 1jc4 h THR 75 CO 0.44 0.32 0.45 0.58 0.37 0.00 0.00 175.52 177.68 1jc4 h VAL 76 N 0.91 1.21 -0.21 3.16 2.07 -1.92 -0.28 116.25 121.20 1jc4 h VAL 76 Ca 0.21 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1jc4 h VAL 76 Cb 0.28 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1jc4 h VAL 76 CO -0.01 0.23 0.11 0.00 0.02 0.00 0.00 177.57 177.92 1jc4 h ALA 77 N 1.23 0.26 -0.72 1.67 0.00 -1.79 0.17 119.26 120.08 1jc4 h ALA 77 Ca 0.27 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1jc4 h ALA 77 Cb -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1jc4 h ALA 77 CO -0.05 -0.20 0.43 0.87 0.00 0.00 0.00 179.25 180.30 1jc4 h LYS 78 N 0.22 0.98 -0.12 0.00 1.57 -1.16 0.88 116.57 118.93 1jc4 h LYS 78 Ca 0.07 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1jc4 h LYS 78 Cb 0.07 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 1jc4 h LYS 78 CO -0.01 0.69 -0.01 2.35 -0.57 0.00 0.00 179.45 181.90 1jc4 h TRP 79 N 0.99 0.24 -1.00 -1.35 7.01 -0.52 -0.93 115.95 120.41 1jc4 h TRP 79 Ca 0.26 -0.04 0.06 0.00 2.11 0.00 0.00 58.89 61.27 1jc4 h TRP 79 Cb -0.04 -0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 26.90 1jc4 h TRP 79 CO 0.00 0.47 0.65 -0.07 -2.79 0.00 0.00 178.44 176.70 1jc4 h LEU 80 N -0.05 1.05 -0.91 0.65 3.38 -0.07 -0.94 115.31 118.43 1jc4 h LEU 80 Ca 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1jc4 h LEU 80 Cb 0.38 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1jc4 h LEU 80 CO 0.01 0.68 0.26 0.00 0.09 0.00 0.00 178.44 179.48 1jc4 h ALA 81 N 1.44 1.13 0.00 1.53 0.00 -0.55 0.17 119.26 122.98 1jc4 h ALA 81 Ca 0.42 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1jc4 h ALA 81 Cb 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1jc4 h ALA 81 CO -0.16 0.62 -0.08 0.87 0.00 0.00 0.00 179.25 180.49 1jc4 h LYS 82 N 1.03 0.00 -0.35 0.00 1.79 0.20 -1.60 116.57 117.63 1jc4 h LYS 82 Ca 0.23 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.65 1jc4 h LYS 82 Cb 0.23 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.85 1jc4 h LYS 82 CO -0.02 0.08 0.02 0.72 -1.08 0.00 0.00 179.45 179.18 1jc4 n HIS 83 N -3.53 1.21 -3.98 -1.35 8.25 -0.69 -4.98 115.22 110.14 1jc4 n HIS 83 Ca -0.02 -1.04 -0.28 0.00 -0.26 0.00 0.00 57.72 56.13 1jc4 n HIS 83 Cb 0.21 -0.40 -0.02 0.00 1.12 0.00 0.00 29.99 30.90 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 -0.53 -0.78 0.00 0.41 4.13 -0.60 -1.33 115.26 116.56 1jc4 n ASN 84 Ca 0.26 -1.06 0.00 0.00 1.68 0.00 0.00 54.58 55.46 1jc4 n ASN 84 Cb 0.99 -2.81 0.00 0.00 -1.54 0.00 0.00 39.78 36.43 1jc4 n ASN 84 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jc4 n GLY 85 N -2.05 0.65 3.58 7.41 0.00 0.50 -4.99 105.19 110.30 1jc4 n GLY 85 Ca -0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.20 3.47 0.31 1.61 3.52 -0.44 -4.99 118.95 122.23 1jc4 s ARG 86 Ca 0.00 0.37 -0.28 0.00 -0.13 0.00 0.00 55.73 55.69 1jc4 s ARG 86 Cb 0.00 -4.04 -0.09 0.00 -1.56 0.00 0.00 34.95 29.26 1jc4 s ARG 86 CO 0.00 -1.73 1.06 0.00 -0.81 0.00 0.00 175.30 173.82 1jc4 s ALA 87 N 5.27 3.29 0.00 6.12 0.00 -1.26 -4.86 121.76 130.32 1jc4 s ALA 87 Ca 0.47 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1jc4 s ALA 87 Cb -0.09 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1jc4 s ALA 87 CO 0.26 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.31 1jc4 n GLY 88 N 0.94 0.73 3.73 0.00 0.00 -0.86 -5.00 105.19 104.74 1jc4 n GLY 88 Ca 0.01 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.20 0.99 1.43 -1.26 -0.86 118.68 123.15 1jc4 s LEU 89 Ca 0.00 2.64 -0.07 0.00 -1.03 0.00 0.00 54.13 55.66 1jc4 s LEU 89 Cb 0.00 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.52 1jc4 s LEU 89 CO 0.00 -0.77 -0.23 1.57 0.23 0.00 0.00 176.35 177.15 1jc4 n HIS 90 N 3.22 0.00 0.00 0.29 -0.00 0.15 -4.85 115.22 114.04 1jc4 n HIS 90 Ca 0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.29 1jc4 n HIS 90 Cb 0.39 -0.71 0.00 0.00 -0.12 0.00 0.00 29.99 29.55 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 -3.68 0.00 -3.64 1.57 1.44 -1.19 -4.61 115.22 105.10 1jc4 n HIS 91 Ca -0.38 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.29 1jc4 n HIS 91 Cb 0.80 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.84 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 -2.09 -0.17 1.59 0.00 0.00 -0.57 121.76 119.52 1jc4 s ALA 93 Ca 0.00 2.29 -0.03 0.00 0.00 0.00 0.00 51.96 54.22 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 -0.36 -0.05 -1.58 0.00 0.00 0.00 175.76 173.77 1jc4 s TRP 94 N 1.42 2.97 0.21 0.00 0.51 0.16 0.19 118.94 124.39 1jc4 s TRP 94 Ca -0.09 -0.53 -0.30 0.00 -2.12 0.00 0.00 56.10 53.06 1jc4 s TRP 94 Cb -0.04 -1.99 -0.08 0.00 -0.81 0.00 0.00 33.47 30.54 1jc4 s TRP 94 CO -0.17 -0.22 1.10 0.50 -0.51 0.00 0.00 176.95 177.66 1jc4 s ARG 95 N 0.72 4.61 0.11 4.98 3.52 -0.23 -2.02 118.95 130.64 1jc4 s ARG 95 Ca -0.02 1.74 0.06 0.00 -0.13 0.00 0.00 55.73 57.38 1jc4 s ARG 95 Cb -0.15 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 29.96 1jc4 s ARG 95 CO 0.02 0.12 -0.15 0.14 -0.81 0.00 0.00 175.30 174.62 1jc4 s VAL 96 N -0.53 1.36 -0.02 7.11 -7.23 -0.01 -1.81 120.40 119.27 1jc4 s VAL 96 Ca 0.48 -1.60 -0.21 0.00 -1.81 0.00 0.00 61.98 58.84 1jc4 s VAL 96 Cb -0.30 -1.44 -0.28 0.00 0.56 0.00 0.00 36.38 34.92 1jc4 s VAL 96 CO 0.37 -0.31 0.99 -0.78 -0.31 0.00 0.00 175.10 175.05 1jc4 h ASP 97 N 3.78 0.52 -3.22 4.85 1.82 -1.88 -3.39 116.42 118.90 1jc4 h ASP 97 Ca -0.41 -0.87 -0.59 0.00 -0.39 0.00 0.00 57.03 54.77 1jc4 h ASP 97 Cb 1.19 -0.16 -0.40 0.00 0.68 0.00 0.00 39.33 40.64 1jc4 h ASP 97 CO 0.46 1.34 -0.75 -0.62 -1.61 0.00 0.00 179.24 178.06 1jc4 s ASP 98 N -6.91 4.03 0.25 2.28 -1.08 -1.26 -4.91 116.67 109.07 1jc4 s ASP 98 Ca -0.13 -1.78 -0.04 0.00 -0.52 0.00 0.00 52.55 50.08 1jc4 s ASP 98 Cb 0.02 -0.93 0.40 0.00 -1.46 0.00 0.00 42.92 40.95 1jc4 s ASP 98 CO 0.83 -0.40 1.83 0.16 0.52 0.00 0.00 175.17 178.12 1jc4 h ILE 99 N 6.36 0.97 0.34 4.11 -0.00 -1.95 -0.26 117.51 127.08 1jc4 h ILE 99 Ca -0.11 -0.31 -0.02 0.00 -0.00 0.00 0.00 64.86 64.42 1jc4 h ILE 99 Cb 1.01 -0.02 0.00 0.00 -0.00 0.00 0.00 36.82 37.81 1jc4 h ILE 99 CO 0.47 0.17 -0.16 0.44 -0.00 0.00 0.00 178.15 179.06 1jc4 h ASP 100 N 0.91 -0.39 0.25 2.16 3.32 -1.98 0.52 116.42 121.21 1jc4 h ASP 100 Ca 0.41 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1jc4 h ASP 100 Cb 0.30 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1jc4 h ASP 100 CO -0.22 -0.23 -0.25 0.00 -1.72 0.00 0.00 179.24 176.83 1jc4 h ALA 101 N 0.12 -0.51 -0.35 3.45 0.00 -1.91 -0.30 119.26 119.76 1jc4 h ALA 101 Ca -0.05 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1jc4 h ALA 101 Cb 0.39 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1jc4 h ALA 101 CO 0.08 -0.82 0.19 0.28 0.00 0.00 0.00 179.25 178.99 1jc4 h VAL 102 N -0.53 1.02 -0.91 0.00 2.07 -1.00 -1.11 116.25 115.79 1jc4 h VAL 102 Ca -0.01 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.47 1jc4 h VAL 102 Cb 0.49 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 1jc4 h VAL 102 CO -0.05 0.07 0.55 0.28 0.02 0.00 0.00 177.57 178.44 1jc4 h SER 103 N 0.40 0.82 -0.48 0.57 0.02 0.29 0.13 113.55 115.30 1jc4 h SER 103 Ca 0.14 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1jc4 h SER 103 Cb 0.02 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1jc4 h SER 103 CO -0.08 0.48 0.18 0.00 -1.14 0.00 0.00 176.83 176.27 1jc4 h ALA 104 N 1.47 0.62 -0.36 3.77 0.00 -0.46 -1.73 119.26 122.57 1jc4 h ALA 104 Ca 0.43 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1jc4 h ALA 104 Cb 0.34 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1jc4 h ALA 104 CO -0.23 0.24 0.21 1.15 0.00 0.00 0.00 179.25 180.62 1jc4 h THR 105 N 0.63 1.13 -0.77 0.00 2.02 0.16 -2.19 112.91 113.90 1jc4 h THR 105 Ca 0.16 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1jc4 h THR 105 Cb 0.21 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 1jc4 h THR 105 CO -0.01 0.13 0.44 -0.07 0.37 0.00 0.00 175.52 176.38 1jc4 h LEU 106 N 0.46 0.95 -0.78 2.58 3.38 -0.66 -1.55 115.31 119.68 1jc4 h LEU 106 Ca 0.13 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1jc4 h LEU 106 Cb 0.03 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 1jc4 h LEU 106 CO -0.02 0.75 0.50 0.03 0.09 0.00 0.00 178.44 179.79 1jc4 h ARG 107 N 1.06 0.96 -0.81 1.13 2.47 -1.06 0.13 114.38 118.26 1jc4 h ARG 107 Ca 0.27 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.91 1jc4 h ARG 107 Cb -0.00 -0.22 -0.04 0.00 -1.65 0.00 0.00 29.97 28.07 1jc4 h ARG 107 CO -0.05 0.63 0.40 0.93 0.56 0.00 0.00 179.97 182.45 1jc4 h GLU 108 N 0.99 1.15 0.00 0.04 5.08 -0.88 -1.48 114.58 119.48 1jc4 h GLU 108 Ca 0.31 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1jc4 h GLU 108 Cb -0.01 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.03 1jc4 h GLU 108 CO -0.10 0.88 0.00 0.54 -1.00 0.00 0.00 179.01 179.33 1jc4 n ARG 109 N -4.36 0.09 -0.03 2.33 5.12 -0.44 -4.83 116.66 114.55 1jc4 n ARG 109 Ca 0.08 0.40 0.00 0.00 -1.93 0.00 0.00 57.85 56.40 1jc4 n ARG 109 Cb 0.13 -1.70 0.00 0.00 -1.16 0.00 0.00 32.46 29.73 1jc4 n ARG 109 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jc4 n GLY 110 N -0.38 0.98 3.79 -0.13 0.00 -0.56 -5.08 105.19 103.82 1jc4 n GLY 110 Ca 0.02 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 4.88 -0.13 1.61 1.01 0.32 -4.99 120.40 121.10 1jc4 s VAL 111 Ca 0.00 1.15 -0.04 0.00 0.00 0.00 0.00 61.98 63.10 1jc4 s VAL 111 Cb 0.00 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1jc4 s VAL 111 CO 0.00 0.49 0.01 -1.10 0.00 0.00 0.00 175.10 174.49 1jc4 s GLN 112 N -0.60 3.39 0.14 2.72 -0.21 -1.26 -3.82 119.66 120.02 1jc4 s GLN 112 Ca 0.29 -0.42 0.02 0.00 0.02 0.00 0.00 55.36 55.27 1jc4 s GLN 112 Cb -0.18 -2.93 -0.04 0.00 1.00 0.00 0.00 33.01 30.87 1jc4 s GLN 112 CO 0.17 0.49 0.27 -0.51 -2.12 0.00 0.00 175.29 173.59 1jc4 s LEU 113 N -0.29 4.33 0.20 2.90 1.43 -1.26 -2.00 118.68 123.98 1jc4 s LEU 113 Ca 0.06 0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 53.28 1jc4 s LEU 113 Cb -0.12 -2.90 0.13 0.00 0.03 0.00 0.00 46.19 43.32 1jc4 s LEU 113 CO 0.02 0.06 1.57 0.25 0.23 0.00 0.00 176.35 178.49 1jc4 h LEU 114 N 2.23 0.79 -8.83 1.79 6.46 -0.71 -3.45 115.31 113.60 1jc4 h LEU 114 Ca -0.48 -0.33 -0.69 0.00 -0.12 0.00 0.00 57.88 56.26 1jc4 h LEU 114 Cb 1.19 -0.22 -0.24 0.00 -0.73 0.00 0.00 40.66 40.66 1jc4 h LEU 114 CO 0.69 1.05 -0.87 -0.31 -0.62 0.00 0.00 178.44 178.38 1jc4 s TYR 115 N -4.43 2.32 0.22 1.25 2.02 -1.26 -5.01 117.35 112.46 1jc4 s TYR 115 Ca -0.09 -0.39 0.04 0.00 -0.37 0.00 0.00 57.07 56.25 1jc4 s TYR 115 Cb 0.12 -1.33 0.19 0.00 -0.40 0.00 0.00 41.96 40.55 1jc4 s TYR 115 CO 0.85 0.23 1.52 -0.44 -1.57 0.00 0.00 175.55 176.13 1jc4 h ASP 116 N 4.36 0.29 -4.13 2.29 3.32 -2.01 -3.44 116.42 117.11 1jc4 h ASP 116 Ca -0.49 -0.18 -0.48 0.00 0.02 0.00 0.00 57.03 55.91 1jc4 h ASP 116 Cb 1.16 -0.09 -0.29 0.00 0.22 0.00 0.00 39.33 40.33 1jc4 h ASP 116 CO 0.42 0.86 -0.81 -1.61 -1.72 0.00 0.00 179.24 176.38 1jc4 s GLU 117 N -3.67 1.16 0.67 3.56 0.41 -1.26 -5.13 118.70 114.43 1jc4 s GLU 117 Ca -0.04 -0.48 -0.17 0.00 -0.41 0.00 0.00 54.97 53.87 1jc4 s GLU 117 Cb 0.12 -1.10 -0.01 0.00 -1.78 0.00 0.00 34.13 31.35 1jc4 s GLU 117 CO 0.81 0.27 1.06 -2.30 -0.49 0.00 0.00 175.26 174.61 1jc4 n PRO 118 N 2.84 0.77 -4.45 0.39 -0.02 -1.26 -5.00 135.00 128.27 1jc4 n PRO 118 Ca -0.15 0.32 -0.22 0.00 -2.02 0.00 0.00 63.50 61.43 1jc4 n PRO 118 Cb 0.55 -2.30 -0.10 0.00 -0.02 0.00 0.00 33.50 31.63 1jc4 n PRO 118 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1jc4 s LYS 119 N -3.20 1.61 -0.11 -0.52 -2.85 -0.49 -4.84 119.74 109.34 1jc4 s LYS 119 Ca 0.77 -1.86 -0.30 0.00 -1.00 0.00 0.00 55.97 53.59 1jc4 s LYS 119 Cb -0.37 -1.05 -0.03 0.00 -2.06 0.00 0.00 37.83 34.31 1jc4 s LYS 119 CO 0.46 -0.06 1.31 -1.17 0.10 0.00 0.00 175.35 175.99 1jc4 s LEU 120 N -3.47 4.24 0.00 2.77 0.20 -1.26 -0.16 118.68 120.99 1jc4 s LEU 120 Ca 0.32 1.83 0.00 0.00 0.69 0.00 0.00 54.13 56.98 1jc4 s LEU 120 Cb 0.06 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.28 1jc4 s LEU 120 CO 0.14 -0.74 0.00 0.61 -0.29 0.00 0.00 176.35 176.07 1jc4 n GLY 121 N 3.63 2.31 3.62 7.98 0.00 0.17 -4.91 105.19 117.99 1jc4 n GLY 121 Ca 0.14 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 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 2.26 3.15 0.00 2.61 -4.23 -1.26 -4.48 115.64 113.69 1jc4 s THR 122 Ca 0.00 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 1jc4 s THR 122 Cb 0.00 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.68 1jc4 s THR 122 CO 0.00 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1jc4 n GLY 123 N 5.19 -0.53 1.40 3.99 0.00 -1.26 -4.04 105.19 109.93 1jc4 n GLY 123 Ca 0.25 -1.60 0.05 0.00 0.00 0.00 0.00 46.02 44.72 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 0.00 2.40 3.74 -0.02 0.00 -1.26 -4.95 105.19 105.10 1jc4 n GLY 124 Ca 0.00 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.57 7.24 -0.06 1.61 -0.87 -1.26 -4.18 114.94 116.85 1jc4 s ASN 125 Ca 0.37 2.09 -0.19 0.00 -1.57 0.00 0.00 52.86 53.56 1jc4 s ASN 125 Cb 0.27 -2.60 -0.05 0.00 -0.02 0.00 0.00 41.25 38.85 1jc4 s ASN 125 CO 0.12 -0.25 0.52 -0.13 -2.57 0.00 0.00 177.10 174.79 1jc4 s ARG 126 N -0.26 4.28 0.15 -0.60 0.52 -0.87 0.44 118.95 122.61 1jc4 s ARG 126 Ca 0.50 0.57 0.00 0.00 -0.52 0.00 0.00 55.73 56.28 1jc4 s ARG 126 Cb -0.30 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 31.76 1jc4 s ARG 126 CO 0.35 0.30 0.04 0.96 0.02 0.00 0.00 175.30 176.96 1jc4 s ILE 127 N 0.12 0.35 0.25 1.52 -4.36 0.77 -1.52 121.20 118.33 1jc4 s ILE 127 Ca 0.28 -1.94 -0.22 0.00 -0.26 0.00 0.00 60.65 58.51 1jc4 s ILE 127 Cb -0.17 -2.11 0.04 0.00 1.25 0.00 0.00 42.46 41.48 1jc4 s ILE 127 CO 0.14 -0.44 0.80 0.21 0.24 0.00 0.00 174.94 175.89 1jc4 s ASN 128 N -3.11 -0.20 0.00 4.36 3.84 -0.97 -1.39 114.94 117.47 1jc4 s ASN 128 Ca 0.25 -0.62 0.00 0.00 0.21 0.00 0.00 52.86 52.70 1jc4 s ASN 128 Cb 0.07 0.67 0.00 0.00 -0.55 0.00 0.00 41.25 41.44 1jc4 s ASN 128 CO 0.03 -1.26 0.00 0.49 -2.79 0.00 0.00 177.10 173.58 1jc4 n PHE 129 N -0.48 0.00 -4.00 0.43 3.01 -1.26 -0.74 117.46 114.42 1jc4 n PHE 129 Ca -0.05 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.10 1jc4 n PHE 129 Cb 0.60 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.01 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 1.92 3.31 0.24 1.38 3.76 -0.85 0.13 115.29 125.17 1jc4 s HIS 131 Ca 0.00 0.15 -0.08 0.00 -0.15 0.00 0.00 55.06 54.98 1jc4 s HIS 131 Cb 0.00 -1.68 0.40 0.00 1.11 0.00 0.00 32.58 32.41 1jc4 s HIS 131 CO 0.00 0.55 1.64 -1.35 -0.85 0.00 0.00 174.74 174.73 1jc4 h PRO 132 N 3.26 0.11 -0.98 8.40 0.11 -1.94 0.13 132.00 141.09 1jc4 h PRO 132 Ca -0.46 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.72 1jc4 h PRO 132 Cb 1.16 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.18 1jc4 h PRO 132 CO 0.69 0.07 0.62 -0.22 -0.21 0.00 0.00 178.00 178.96 1jc4 h LYS 133 N 0.11 1.07 0.00 1.05 3.11 -1.95 0.41 116.57 120.37 1jc4 h LYS 133 Ca 0.39 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 58.16 1jc4 h LYS 133 Cb 0.67 -0.24 -0.00 0.00 -1.00 0.00 0.00 32.23 31.66 1jc4 h LYS 133 CO -0.63 0.71 -0.04 0.77 -2.81 0.00 0.00 179.45 177.45 1jc4 h SER 134 N 1.10 0.00 -0.30 4.20 0.02 -1.11 0.22 113.55 117.67 1jc4 h SER 134 Ca 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1jc4 h SER 134 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1jc4 h SER 134 CO -0.19 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.15 1jc4 n GLY 135 N -1.26 0.77 3.67 -3.77 0.00 0.14 -4.92 105.19 99.82 1jc4 n GLY 135 Ca -0.03 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 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 0.66 -7.31 0.00 1.61 4.01 0.78 -2.09 118.16 115.81 1jc4 n LYS 136 Ca 0.16 0.77 0.00 0.00 -0.51 0.00 0.00 58.31 58.73 1jc4 n LYS 136 Cb 0.38 -5.78 0.00 0.00 -0.51 0.00 0.00 35.03 29.12 1jc4 n LYS 136 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1jc4 n GLY 137 N -1.90 0.36 3.42 0.72 0.00 -0.86 -5.02 105.19 101.92 1jc4 n GLY 137 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.06 2.96 -0.24 1.61 1.01 -0.89 -5.00 120.40 117.79 1jc4 s VAL 138 Ca 0.00 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 1jc4 s VAL 138 Cb 0.00 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1jc4 s VAL 138 CO 0.00 0.57 1.10 -0.22 0.00 0.00 0.00 175.10 176.55 1jc4 s LEU 139 N -0.35 4.06 -0.18 3.92 2.96 -1.26 -3.88 118.68 123.95 1jc4 s LEU 139 Ca 0.03 1.34 -0.00 0.00 -0.22 0.00 0.00 54.13 55.28 1jc4 s LEU 139 Cb -0.12 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.03 1jc4 s LEU 139 CO 0.02 -0.75 -0.15 -0.63 -1.32 0.00 0.00 176.35 173.52 1jc4 s ILE 140 N 3.41 2.55 0.03 6.68 1.01 -1.26 -4.59 121.20 129.03 1jc4 s ILE 140 Ca 0.47 -0.79 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 1jc4 s ILE 140 Cb -0.15 -2.09 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 1jc4 s ILE 140 CO 0.10 0.51 0.27 -0.70 0.00 0.00 0.00 174.94 175.12 1jc4 s GLU 141 N 1.12 3.56 -0.13 2.79 2.12 -1.26 -4.52 118.70 122.38 1jc4 s GLU 141 Ca 0.00 -0.14 -0.03 0.00 0.36 0.00 0.00 54.97 55.16 1jc4 s GLU 141 Cb -0.14 -3.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 1jc4 s GLU 141 CO -0.05 0.62 -0.00 -0.51 -0.54 0.00 0.00 175.26 174.77 1jc4 s LEU 142 N -2.00 3.51 -0.09 2.70 1.02 0.09 0.35 118.68 124.27 1jc4 s LEU 142 Ca 0.30 0.04 -0.06 0.00 0.02 0.00 0.00 54.13 54.44 1jc4 s LEU 142 Cb -0.13 -1.83 0.04 0.00 0.02 0.00 0.00 46.19 44.28 1jc4 s LEU 142 CO 0.19 0.27 0.22 0.28 0.02 0.00 0.00 176.35 177.33 1jc4 s THR 143 N -0.24 -0.03 -0.07 5.49 -1.32 -0.86 -2.29 115.64 116.32 1jc4 s THR 143 Ca 0.06 0.10 0.03 0.00 -1.21 0.00 0.00 61.69 60.67 1jc4 s THR 143 Cb -0.12 -0.33 0.00 0.00 -1.51 0.00 0.00 72.50 70.54 1jc4 s THR 143 CO 0.02 0.04 -0.18 -1.58 -2.21 0.00 0.00 174.62 170.71 1jc4 s GLN 144 N 0.81 2.20 0.41 7.08 0.74 -0.57 -0.83 119.66 129.49 1jc4 s GLN 144 Ca -0.06 -0.63 -0.22 0.00 0.05 0.00 0.00 55.36 54.50 1jc4 s GLN 144 Cb -0.07 -1.77 -0.10 0.00 1.10 0.00 0.00 33.01 32.17 1jc4 s GLN 144 CO -0.05 0.14 0.96 0.71 -0.55 0.00 0.00 175.29 176.50 1jc4 s TYR 145 N 0.40 3.37 0.51 1.67 1.51 -1.26 -2.06 117.35 121.49 1jc4 s TYR 145 Ca -0.14 1.65 -0.22 0.00 -1.01 0.00 0.00 57.07 57.35 1jc4 s TYR 145 Cb -0.16 -2.90 -0.07 0.00 -0.11 0.00 0.00 41.96 38.72 1jc4 s TYR 145 CO 0.05 -0.13 1.18 -0.35 -1.11 0.00 0.00 175.55 175.19 1jc4 n PRO 146 N -0.36 1.47 -0.41 -1.71 -0.04 -1.26 -4.94 135.00 127.76 1jc4 n PRO 146 Ca 0.06 0.54 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 1jc4 n PRO 146 Cb 0.53 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 1jc4 n PRO 146 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63