#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jc5 s ASP 5 N 0.00 6.85 0.19 4.31 1.01 -1.26 -4.88 116.67 122.89 1jc5 s ASP 5 Ca 0.00 1.93 0.24 0.00 0.71 0.00 0.00 52.55 55.42 1jc5 s ASP 5 Cb 0.00 -2.54 0.31 0.00 1.01 0.00 0.00 42.92 41.70 1jc5 s ASP 5 CO 0.00 -0.80 1.33 -0.07 0.21 0.00 0.00 175.17 175.84 1jc5 h LEU 6 N 9.64 0.00 -8.39 1.23 3.38 -2.01 -3.47 115.31 115.69 1jc5 h LEU 6 Ca -0.32 -0.11 -0.63 0.00 0.09 0.00 0.00 57.88 56.90 1jc5 h LEU 6 Cb 1.14 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.58 1jc5 h LEU 6 CO 0.95 0.06 -0.86 -0.36 0.09 0.00 0.00 178.44 178.32 1jc5 s PHE 7 N -3.21 2.06 -0.07 1.13 0.08 -1.26 -4.65 117.98 112.05 1jc5 s PHE 7 Ca 0.05 -0.55 -0.25 0.00 0.12 0.00 0.00 56.93 56.30 1jc5 s PHE 7 Cb 0.11 -1.36 -0.26 0.00 -0.57 0.00 0.00 43.02 40.94 1jc5 s PHE 7 CO 0.72 -0.15 0.93 0.82 -0.10 0.00 0.00 175.22 177.44 1jc5 h ILE 8 N 5.00 1.60 0.00 0.64 2.04 -1.34 -3.50 117.51 121.95 1jc5 h ILE 8 Ca -0.34 -2.21 0.00 0.00 1.00 0.00 0.00 64.86 63.31 1jc5 h ILE 8 Cb 1.16 3.04 0.00 0.00 -0.74 0.00 0.00 36.82 40.28 1jc5 h ILE 8 CO 0.47 0.60 0.00 0.00 0.00 0.00 0.00 178.15 179.23 1jc5 s ILE 10 N -2.00 4.52 0.04 0.00 1.01 -1.26 -1.50 121.20 122.01 1jc5 s ILE 10 Ca 0.00 1.78 -0.22 0.00 0.00 0.00 0.00 60.65 62.21 1jc5 s ILE 10 Cb 0.00 -4.35 -0.14 0.00 0.01 0.00 0.00 42.46 37.97 1jc5 s ILE 10 CO 0.00 -0.38 1.46 -0.78 0.00 0.00 0.00 174.94 175.24 1jc5 h ASP 11 N 7.99 0.18 -4.95 3.58 3.58 -0.68 -3.37 116.42 122.75 1jc5 h ASP 11 Ca -0.21 -0.32 0.08 0.00 0.42 0.00 0.00 57.03 57.00 1jc5 h ASP 11 Cb 1.06 -0.05 -0.11 0.00 1.72 0.00 0.00 39.33 41.95 1jc5 h ASP 11 CO 1.02 0.46 0.37 -1.38 -2.88 0.00 0.00 179.24 176.82 1jc5 s HIS 12 N -4.92 -0.34 -0.21 0.28 -3.43 -1.13 -1.76 115.29 103.78 1jc5 s HIS 12 Ca -0.14 0.09 -0.01 0.00 -0.80 0.00 0.00 55.06 54.20 1jc5 s HIS 12 Cb 0.05 0.59 0.01 0.00 -1.43 0.00 0.00 32.58 31.80 1jc5 s HIS 12 CO 0.70 -0.80 -0.12 0.08 -2.00 0.00 0.00 174.74 172.60 1jc5 s VAL 13 N -3.47 2.68 0.03 -5.38 1.01 -0.55 -1.19 120.40 113.54 1jc5 s VAL 13 Ca 0.06 -0.80 -0.26 0.00 0.00 0.00 0.00 61.98 60.98 1jc5 s VAL 13 Cb -0.02 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1jc5 s VAL 13 CO -0.05 0.43 0.79 0.00 0.00 0.00 0.00 175.10 176.27 1jc5 s ALA 14 N 1.36 3.33 -0.18 5.51 0.00 0.63 -1.02 121.76 131.39 1jc5 s ALA 14 Ca 0.04 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.32 1jc5 s ALA 14 Cb -0.14 -3.05 0.03 0.00 0.00 0.00 0.00 23.12 19.96 1jc5 s ALA 14 CO -0.08 0.00 -0.16 -0.47 0.00 0.00 0.00 175.76 175.06 1jc5 s TYR 15 N 0.18 2.60 -0.06 0.00 5.04 0.10 0.24 117.35 125.45 1jc5 s TYR 15 Ca 0.40 -1.59 -0.12 0.00 -2.44 0.00 0.00 57.07 53.32 1jc5 s TYR 15 Cb -0.20 -1.78 -0.05 0.00 0.35 0.00 0.00 41.96 40.28 1jc5 s TYR 15 CO 0.23 -0.77 0.31 0.00 -1.34 0.00 0.00 175.55 173.98 1jc5 s ALA 16 N 1.34 3.75 0.31 3.97 0.00 -0.68 0.93 121.76 131.39 1jc5 s ALA 16 Ca 0.02 -0.38 -0.12 0.00 0.00 0.00 0.00 51.96 51.48 1jc5 s ALA 16 Cb -0.14 -2.25 0.01 0.00 0.00 0.00 0.00 23.12 20.75 1jc5 s ALA 16 CO -0.11 0.49 0.59 0.00 0.00 0.00 0.00 175.76 176.73 1jc5 h PRO 18 N 2.12 0.55 -2.87 0.00 0.11 -1.90 -3.37 132.00 126.64 1jc5 h PRO 18 Ca -0.27 -0.25 -0.44 0.00 0.11 0.00 0.00 66.00 65.15 1jc5 h PRO 18 Cb 1.25 -0.01 -0.40 0.00 0.11 0.00 0.00 31.00 31.95 1jc5 h PRO 18 CO 0.36 0.82 -0.73 0.34 -0.21 0.00 0.00 178.00 178.58 1jc5 s ASP 19 N -6.83 2.32 0.24 -2.05 -1.08 -1.26 -4.44 116.67 103.57 1jc5 s ASP 19 Ca -0.07 -0.65 -0.06 0.00 -0.52 0.00 0.00 52.55 51.24 1jc5 s ASP 19 Cb 0.13 -0.10 0.24 0.00 -1.46 0.00 0.00 42.92 41.73 1jc5 s ASP 19 CO 0.81 -0.36 1.92 0.00 0.52 0.00 0.00 175.17 178.06 1jc5 h ALA 20 N 8.39 1.24 -0.13 3.66 0.00 -1.86 -2.25 119.26 128.30 1jc5 h ALA 20 Ca -0.16 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1jc5 h ALA 20 Cb 1.12 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1jc5 h ALA 20 CO 0.31 0.64 -0.35 -0.44 0.00 0.00 0.00 179.25 179.41 1jc5 h ASP 21 N 1.33 0.28 -0.52 0.00 3.32 -1.97 -0.62 116.42 118.24 1jc5 h ASP 21 Ca 0.36 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.22 1jc5 h ASP 21 Cb -0.14 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1jc5 h ASP 21 CO -0.08 0.62 0.01 -0.33 -1.72 0.00 0.00 179.24 177.74 1jc5 h GLU 22 N 0.23 0.91 -0.26 3.56 4.39 -1.86 -1.92 114.58 119.64 1jc5 h GLU 22 Ca 0.03 -0.29 -0.14 0.00 0.34 0.00 0.00 59.36 59.30 1jc5 h GLU 22 Cb 0.74 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 1jc5 h GLU 22 CO 0.06 0.93 -0.42 0.00 -1.16 0.00 0.00 179.01 178.42 1jc5 h ALA 23 N 0.95 0.79 -0.40 3.43 0.00 -1.11 -2.61 119.26 120.30 1jc5 h ALA 23 Ca 0.15 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1jc5 h ALA 23 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1jc5 h ALA 23 CO 0.03 0.66 -0.03 1.03 0.00 0.00 0.00 179.25 180.93 1jc5 h SER 24 N 0.51 0.72 -0.53 0.00 0.87 -1.03 -0.64 113.55 113.46 1jc5 h SER 24 Ca 0.04 -0.33 0.02 0.00 -1.23 0.00 0.00 61.79 60.29 1jc5 h SER 24 Cb 0.94 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.67 1jc5 h SER 24 CO 0.08 0.88 0.32 0.50 -0.53 0.00 0.00 176.83 178.09 1jc5 h LYS 25 N 0.55 0.63 0.17 2.24 3.64 -1.30 0.97 116.57 123.47 1jc5 h LYS 25 Ca 0.11 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1jc5 h LYS 25 Cb 0.53 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1jc5 h LYS 25 CO 0.03 0.42 -0.08 -0.92 -2.27 0.00 0.00 179.45 176.62 1jc5 h TYR 26 N 0.65 -0.21 -0.91 1.91 3.20 -1.33 0.73 116.97 121.01 1jc5 h TYR 26 Ca 0.21 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.20 1jc5 h TYR 26 Cb -0.00 0.07 -0.09 0.00 1.54 0.00 0.00 36.73 38.25 1jc5 h TYR 26 CO -0.06 -0.09 0.53 1.88 -1.64 0.00 0.00 178.16 178.78 1jc5 h TYR 27 N -0.27 0.95 0.40 -3.82 -1.99 -0.76 0.12 116.97 111.61 1jc5 h TYR 27 Ca -0.02 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.72 1jc5 h TYR 27 Cb 0.21 -0.29 0.00 0.00 2.00 0.00 0.00 36.73 38.66 1jc5 h TYR 27 CO -0.05 0.33 -0.19 1.96 -0.00 0.00 0.00 178.16 180.21 1jc5 h GLN 28 N 0.82 -0.52 -0.25 4.88 4.20 -0.34 0.01 115.11 123.91 1jc5 h GLN 28 Ca 0.47 0.04 -0.16 0.00 0.06 0.00 0.00 58.65 59.05 1jc5 h GLN 28 Cb 0.53 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1jc5 h GLN 28 CO -0.30 -0.25 -0.47 0.93 -0.67 0.00 0.00 178.83 178.07 1jc5 h GLU 29 N -1.05 0.77 0.00 1.46 4.39 -0.79 -2.27 114.58 117.09 1jc5 h GLU 29 Ca -0.06 -0.49 -0.10 0.00 0.34 0.00 0.00 59.36 59.06 1jc5 h GLU 29 Cb 0.52 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1jc5 h GLU 29 CO 0.09 1.12 -0.60 1.15 -1.16 0.00 0.00 179.01 179.60 1jc5 h THR 30 N 0.52 0.96 0.00 1.13 2.02 -0.92 -3.40 112.91 113.23 1jc5 h THR 30 Ca 0.01 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 65.26 1jc5 h THR 30 Cb 1.08 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 1jc5 h THR 30 CO 0.11 0.33 -0.50 -0.26 0.37 0.00 0.00 175.52 175.56 1jc5 h PHE 31 N -1.00 0.00 -0.23 3.16 0.04 -1.36 -3.48 116.94 114.06 1jc5 h PHE 31 Ca -0.15 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.56 1jc5 h PHE 31 Cb 0.95 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.07 1jc5 h PHE 31 CO 0.10 0.00 -0.07 0.41 -0.60 0.00 0.00 178.31 178.15 1jc5 n GLY 32 N 1.30 0.54 3.94 -1.45 0.00 -0.15 -4.97 105.19 104.40 1jc5 n GLY 32 Ca 0.03 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 1jc5 n GLY 32 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jc5 s TRP 33 N -2.13 1.99 -0.04 1.61 0.52 -0.37 -4.84 118.94 115.68 1jc5 s TRP 33 Ca 0.00 0.24 0.05 0.00 0.02 0.00 0.00 56.10 56.41 1jc5 s TRP 33 Cb 0.00 -3.61 -0.01 0.00 -1.15 0.00 0.00 33.47 28.70 1jc5 s TRP 33 CO 0.00 -2.10 -0.18 -1.01 0.02 0.00 0.00 176.95 173.68 1jc5 s HIS 34 N -3.56 1.73 -0.31 -1.98 3.76 0.88 -4.23 115.29 111.57 1jc5 s HIS 34 Ca 0.68 -0.46 -0.23 0.00 -0.15 0.00 0.00 55.06 54.90 1jc5 s HIS 34 Cb -0.06 -1.15 -0.00 0.00 1.11 0.00 0.00 32.58 32.48 1jc5 s HIS 34 CO 0.49 -0.14 0.76 -2.00 -0.85 0.00 0.00 174.74 173.00 1jc5 s GLU 35 N -0.07 3.93 0.01 1.40 2.12 -1.26 -1.14 118.70 123.68 1jc5 s GLU 35 Ca -0.01 0.51 0.21 0.00 0.36 0.00 0.00 54.97 56.04 1jc5 s GLU 35 Cb -0.11 -3.74 -0.24 0.00 0.26 0.00 0.00 34.13 30.31 1jc5 s GLU 35 CO 0.02 -0.68 0.58 1.28 -0.54 0.00 0.00 175.26 175.92 1jc5 n LEU 36 N 6.17 0.25 -3.61 2.70 4.77 -0.14 -5.01 117.00 122.14 1jc5 n LEU 36 Ca 0.03 0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 56.02 1jc5 n LEU 36 Cb 0.48 0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.56 1jc5 n LEU 36 CO 0.50 0.02 0.84 -2.28 -1.33 0.00 0.00 177.39 175.14 1jc5 s HIS 37 N -3.34 -0.34 0.06 -1.77 5.04 -1.23 -5.00 115.29 108.71 1jc5 s HIS 37 Ca -0.06 0.70 0.04 0.00 -1.54 0.00 0.00 55.06 54.20 1jc5 s HIS 37 Cb 0.12 0.43 -0.03 0.00 0.04 0.00 0.00 32.58 33.14 1jc5 s HIS 37 CO 0.87 -0.25 -0.13 0.50 -2.34 0.00 0.00 174.74 173.39 1jc5 s ARG 38 N -0.57 0.76 -0.10 2.88 3.52 -1.26 -1.09 118.95 123.08 1jc5 s ARG 38 Ca 0.02 -0.88 -0.28 0.00 -0.13 0.00 0.00 55.73 54.45 1jc5 s ARG 38 Cb -0.02 -0.72 0.07 0.00 -1.56 0.00 0.00 34.95 32.72 1jc5 s ARG 38 CO -0.03 0.16 0.66 -2.00 -0.81 0.00 0.00 175.30 173.27 1jc5 s GLU 39 N -1.63 0.96 -0.08 5.12 2.12 -0.05 -5.00 118.70 120.14 1jc5 s GLU 39 Ca -0.03 0.42 0.02 0.00 0.36 0.00 0.00 54.97 55.74 1jc5 s GLU 39 Cb -0.10 0.46 0.01 0.00 0.26 0.00 0.00 34.13 34.76 1jc5 s GLU 39 CO 0.02 -0.26 -0.13 -1.21 -0.54 0.00 0.00 175.26 173.14 1jc5 s GLU 40 N -0.77 1.91 -0.57 4.30 2.02 -1.26 -0.54 118.70 123.79 1jc5 s GLU 40 Ca -0.08 -0.47 0.01 0.00 0.02 0.00 0.00 54.97 54.45 1jc5 s GLU 40 Cb -0.02 -1.61 0.15 0.00 0.10 0.00 0.00 34.13 32.74 1jc5 s GLU 40 CO 0.07 -0.02 0.35 1.21 0.02 0.00 0.00 175.26 176.89 1jc5 s ASN 41 N 0.83 4.71 0.64 -0.19 3.04 -0.39 -4.96 114.94 118.62 1jc5 s ASN 41 Ca -0.11 -2.99 0.29 0.00 0.04 0.00 0.00 52.86 50.09 1jc5 s ASN 41 Cb -0.15 -1.73 1.56 0.00 -1.54 0.00 0.00 41.25 39.39 1jc5 s ASN 41 CO 0.01 -0.28 1.91 1.55 -3.04 0.00 0.00 177.10 177.25 1jc5 h PRO 42 N 6.66 0.00 0.35 0.43 0.13 -1.96 0.18 132.00 137.80 1jc5 h PRO 42 Ca -0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 1jc5 h PRO 42 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1jc5 h PRO 42 CO 0.70 0.00 -0.17 1.49 -0.23 0.00 0.00 178.00 179.79 1jc5 h GLU 43 N 0.00 -0.46 0.00 0.86 4.81 -1.95 -3.16 114.58 114.68 1jc5 h GLU 43 Ca 0.07 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1jc5 h GLU 43 Cb 0.82 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.31 1jc5 h GLU 43 CO -0.00 -0.30 0.00 1.04 -0.73 0.00 0.00 179.01 179.02 1jc5 n GLN 44 N -3.78 0.14 -2.89 1.92 6.02 -0.91 -4.88 117.38 112.99 1jc5 n GLN 44 Ca -0.06 0.42 -0.13 0.00 -0.01 0.00 0.00 57.00 57.23 1jc5 n GLN 44 Cb 0.19 -1.79 0.03 0.00 1.02 0.00 0.00 30.24 29.69 1jc5 n GLN 44 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jc5 n GLY 45 N -0.27 0.09 3.13 1.08 0.00 0.01 -4.16 105.19 105.06 1jc5 n GLY 45 Ca 0.02 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 1jc5 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jc5 s VAL 46 N -3.03 1.06 -0.16 1.61 1.01 -1.13 -0.93 120.40 118.82 1jc5 s VAL 46 Ca 0.25 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1jc5 s VAL 46 Cb -0.11 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.31 1jc5 s VAL 46 CO 0.30 0.00 -0.16 0.54 0.00 0.00 0.00 175.10 175.79 1jc5 s VAL 47 N -0.83 2.56 -0.02 2.92 0.11 -0.61 -1.27 120.40 123.26 1jc5 s VAL 47 Ca 0.01 -0.80 0.08 0.00 -2.93 0.00 0.00 61.98 58.34 1jc5 s VAL 47 Cb -0.08 -2.08 -0.02 0.00 -1.53 0.00 0.00 36.38 32.68 1jc5 s VAL 47 CO 0.01 0.52 -0.25 -1.61 -3.33 0.00 0.00 175.10 170.43 1jc5 s GLU 48 N 0.90 2.06 -0.08 1.54 2.02 0.30 -2.07 118.70 123.36 1jc5 s GLU 48 Ca -0.04 -0.91 0.01 0.00 0.02 0.00 0.00 54.97 54.05 1jc5 s GLU 48 Cb -0.15 -1.99 0.02 0.00 0.10 0.00 0.00 34.13 32.11 1jc5 s GLU 48 CO -0.02 0.55 -0.07 0.42 0.02 0.00 0.00 175.26 176.16 1jc5 s ILE 49 N -0.59 0.86 -0.21 -1.63 1.01 -0.52 -0.87 121.20 119.24 1jc5 s ILE 49 Ca 0.10 -0.25 -0.19 0.00 0.00 0.00 0.00 60.65 60.31 1jc5 s ILE 49 Cb -0.10 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 1jc5 s ILE 49 CO -0.01 0.32 0.55 -0.04 0.00 0.00 0.00 174.94 175.76 1jc5 s MET 50 N 1.25 4.17 0.04 2.79 -1.94 -0.25 -0.85 119.30 124.51 1jc5 s MET 50 Ca -0.04 0.45 0.08 0.00 -1.71 0.00 0.00 55.69 54.46 1jc5 s MET 50 Cb -0.14 -3.59 -0.03 0.00 2.01 0.00 0.00 34.83 33.08 1jc5 s MET 50 CO -0.02 -0.22 -0.20 -1.64 -0.01 0.00 0.00 175.02 172.92 1jc5 s MET 51 N 1.88 2.01 0.08 2.03 1.00 0.21 -0.96 119.30 125.54 1jc5 s MET 51 Ca 0.25 -1.01 0.03 0.00 0.00 0.00 0.00 55.69 54.96 1jc5 s MET 51 Cb -0.16 -2.14 -0.03 0.00 0.00 0.00 0.00 34.83 32.51 1jc5 s MET 51 CO 0.10 0.53 -0.09 0.00 0.00 0.00 0.00 175.02 175.56 1jc5 s ALA 52 N -0.89 0.92 -1.02 3.03 0.00 -0.29 -0.46 121.76 123.04 1jc5 s ALA 52 Ca 0.14 -1.06 0.24 0.00 0.00 0.00 0.00 51.96 51.28 1jc5 s ALA 52 Cb -0.10 0.04 1.03 0.00 0.00 0.00 0.00 23.12 24.09 1jc5 s ALA 52 CO 0.04 -0.04 1.77 -0.35 0.00 0.00 0.00 175.76 177.18 1jc5 n PRO 53 N 0.83 0.02 -4.18 0.00 -0.04 -1.26 -0.09 135.00 130.28 1jc5 n PRO 53 Ca -0.18 0.09 -0.11 0.00 -0.04 0.00 0.00 63.50 63.26 1jc5 n PRO 53 Cb 0.57 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 1jc5 n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jc5 s ALA 54 N -2.98 1.05 0.28 0.55 0.00 -1.26 -4.78 121.76 114.63 1jc5 s ALA 54 Ca 0.12 -1.40 0.06 0.00 0.00 0.00 0.00 51.96 50.74 1jc5 s ALA 54 Cb 0.16 0.24 0.42 0.00 0.00 0.00 0.00 23.12 23.93 1jc5 s ALA 54 CO 0.43 -0.25 1.68 0.00 0.00 0.00 0.00 175.76 177.62 1jc5 h ALA 55 N 2.91 1.07 -4.11 0.00 0.00 -1.95 -3.43 119.26 113.75 1jc5 h ALA 55 Ca -0.36 -0.43 -0.69 0.00 0.00 0.00 0.00 54.91 53.44 1jc5 h ALA 55 Cb 1.17 -0.09 -0.29 0.00 0.00 0.00 0.00 17.79 18.58 1jc5 h ALA 55 CO 0.64 0.61 -0.86 0.15 0.00 0.00 0.00 179.25 179.79 1jc5 s LYS 56 N -4.11 2.50 0.10 0.00 -0.14 -1.26 -5.02 119.74 111.80 1jc5 s LYS 56 Ca -0.05 -0.86 -0.28 0.00 -1.36 0.00 0.00 55.97 53.42 1jc5 s LYS 56 Cb 0.13 -2.21 -0.06 0.00 -1.68 0.00 0.00 37.83 34.02 1jc5 s LYS 56 CO 0.78 0.45 0.90 -0.51 -0.76 0.00 0.00 175.35 176.21 1jc5 s LEU 57 N -0.33 4.50 0.73 3.17 1.43 -1.26 -5.03 118.68 121.88 1jc5 s LEU 57 Ca 0.02 1.70 -0.08 0.00 -1.03 0.00 0.00 54.13 54.74 1jc5 s LEU 57 Cb -0.12 -3.47 0.07 0.00 0.03 0.00 0.00 46.19 42.69 1jc5 s LEU 57 CO 0.02 -0.02 1.05 0.42 0.23 0.00 0.00 176.35 178.05 1jc5 s THR 58 N -0.12 2.22 0.18 5.49 -4.23 -1.26 -4.96 115.64 112.96 1jc5 s THR 58 Ca 0.44 -0.23 -0.15 0.00 -1.18 0.00 0.00 61.69 60.57 1jc5 s THR 58 Cb -0.23 -2.99 0.11 0.00 1.34 0.00 0.00 72.50 70.73 1jc5 s THR 58 CO 0.28 0.00 1.68 -0.08 -0.54 0.00 0.00 174.62 175.96 1jc5 h GLU 59 N -0.71 0.09 -0.48 3.99 4.81 -2.06 -2.72 114.58 117.51 1jc5 h GLU 59 Ca -0.44 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 58.68 1jc5 h GLU 59 Cb 1.31 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.61 1jc5 h GLU 59 CO 0.60 0.06 0.09 0.72 -0.73 0.00 0.00 179.01 179.74 1jc5 n HIS 60 N -5.23 1.64 -2.37 0.92 8.25 -1.26 -4.98 115.22 112.19 1jc5 n HIS 60 Ca 0.04 -1.08 -0.43 0.00 -0.26 0.00 0.00 57.72 55.99 1jc5 n HIS 60 Cb 0.24 -0.50 -0.02 0.00 1.12 0.00 0.00 29.99 30.83 1jc5 n HIS 60 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1jc5 s MET 61 N -2.95 4.20 0.25 -0.41 0.00 -1.03 -4.82 119.30 114.55 1jc5 s MET 61 Ca 0.49 1.71 -0.30 0.00 0.00 0.00 0.00 55.69 57.59 1jc5 s MET 61 Cb 0.40 -3.80 -0.09 0.00 0.00 0.00 0.00 34.83 31.33 1jc5 s MET 61 CO 0.10 -0.75 1.04 0.99 0.00 0.00 0.00 175.02 176.40 1jc5 s THR 62 N 3.64 3.75 0.38 10.11 2.01 -1.26 -4.83 115.64 129.44 1jc5 s THR 62 Ca 0.57 1.73 0.08 0.00 0.31 0.00 0.00 61.69 64.38 1jc5 s THR 62 Cb -0.23 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.15 1jc5 s THR 62 CO 0.17 0.40 0.25 -1.10 -0.69 0.00 0.00 174.62 173.65 1jc5 s GLN 63 N -1.20 2.46 -0.19 4.92 -0.21 -0.72 -4.76 119.66 119.94 1jc5 s GLN 63 Ca 0.44 -1.56 -0.03 0.00 0.02 0.00 0.00 55.36 54.23 1jc5 s GLN 63 Cb -0.29 -2.26 -0.01 0.00 1.00 0.00 0.00 33.01 31.44 1jc5 s GLN 63 CO 0.37 -0.04 -0.05 0.08 -2.12 0.00 0.00 175.29 173.53 1jc5 s VAL 64 N -2.45 3.44 -0.40 1.09 1.01 0.39 -1.47 120.40 122.00 1jc5 s VAL 64 Ca 0.42 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.78 1jc5 s VAL 64 Cb -0.02 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.84 1jc5 s VAL 64 CO 0.25 0.45 0.28 -1.58 0.00 0.00 0.00 175.10 174.50 1jc5 s GLN 65 N 1.09 2.93 -0.13 2.72 0.74 -0.19 -0.62 119.66 126.20 1jc5 s GLN 65 Ca 0.01 -1.04 -0.26 0.00 0.05 0.00 0.00 55.36 54.12 1jc5 s GLN 65 Cb -0.15 -3.92 -0.02 0.00 1.10 0.00 0.00 33.01 30.03 1jc5 s GLN 65 CO -0.00 -0.74 0.85 0.08 -0.55 0.00 0.00 175.29 174.93 1jc5 s VAL 66 N 1.65 4.89 -0.07 1.34 1.01 -0.03 0.01 120.40 129.20 1jc5 s VAL 66 Ca 0.04 1.71 0.04 0.00 0.00 0.00 0.00 61.98 63.77 1jc5 s VAL 66 Cb -0.19 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 1jc5 s VAL 66 CO 0.09 0.06 -0.18 -0.04 0.00 0.00 0.00 175.10 175.03 1jc5 s MET 67 N 1.86 2.69 0.02 2.72 1.00 0.27 -1.44 119.30 126.41 1jc5 s MET 67 Ca 0.41 -0.78 -0.05 0.00 0.00 0.00 0.00 55.69 55.27 1jc5 s MET 67 Cb -0.17 -2.34 -0.01 0.00 0.00 0.00 0.00 34.83 32.31 1jc5 s MET 67 CO 0.15 0.45 0.08 0.00 0.00 0.00 0.00 175.02 175.70 1jc5 s ALA 68 N -0.29 -0.15 0.41 3.03 0.00 -0.88 -0.14 121.76 123.74 1jc5 s ALA 68 Ca 0.01 -0.35 -0.23 0.00 0.00 0.00 0.00 51.96 51.39 1jc5 s ALA 68 Cb -0.13 0.15 -0.10 0.00 0.00 0.00 0.00 23.12 23.05 1jc5 s ALA 68 CO 0.03 -0.22 0.98 -1.25 0.00 0.00 0.00 175.76 175.30 1jc5 s PRO 69 N -1.68 4.24 -0.12 0.00 0.04 -1.26 -1.57 135.00 134.65 1jc5 s PRO 69 Ca -0.13 1.29 0.17 0.00 0.04 0.00 0.00 61.00 62.38 1jc5 s PRO 69 Cb -0.07 -2.40 -0.24 0.00 0.04 0.00 0.00 34.50 31.83 1jc5 s PRO 69 CO -0.00 -0.04 0.33 -0.11 0.04 0.00 0.00 177.00 177.21 1jc5 n LEU 70 N -0.27 0.28 -3.69 -3.56 7.94 -0.11 -4.83 117.00 112.77 1jc5 n LEU 70 Ca 0.06 0.13 -0.13 0.00 -1.11 0.00 0.00 56.01 54.96 1jc5 n LEU 70 Cb 0.52 0.33 -0.07 0.00 0.53 0.00 0.00 43.42 44.73 1jc5 n LEU 70 CO 0.41 0.38 0.12 0.54 -1.11 0.00 0.00 177.39 177.73 1jc5 s ASN 71 N -5.55 -0.25 0.52 1.96 2.20 -1.26 -5.03 114.94 107.53 1jc5 s ASN 71 Ca -0.08 0.02 0.25 0.00 -0.94 0.00 0.00 52.86 52.11 1jc5 s ASN 71 Cb 0.08 0.39 1.34 0.00 -2.00 0.00 0.00 41.25 41.06 1jc5 s ASN 71 CO 0.84 -0.60 1.72 0.44 -2.94 0.00 0.00 177.10 176.55 1jc5 h ASP 72 N 3.24 0.00 1.36 3.54 3.32 -1.95 -0.73 116.42 125.20 1jc5 h ASP 72 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1jc5 h ASP 72 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1jc5 h ASP 72 CO 0.43 0.00 -0.32 -0.33 -1.72 0.00 0.00 179.24 177.30 1jc5 h GLU 73 N 0.00 0.00 -7.27 3.56 3.07 -1.96 -3.41 114.58 108.57 1jc5 h GLU 73 Ca 0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.34 1jc5 h GLU 73 Cb 0.51 0.00 0.16 0.00 -0.84 0.00 0.00 28.75 28.58 1jc5 h GLU 73 CO 0.00 0.00 0.30 -1.54 -1.40 0.00 0.00 179.01 176.37 1jc5 s SER 74 N -4.98 3.89 0.45 1.42 1.04 -0.28 -4.89 113.70 110.34 1jc5 s SER 74 Ca 0.07 2.06 0.20 0.00 0.48 0.00 0.00 55.95 58.76 1jc5 s SER 74 Cb 0.10 -2.55 1.07 0.00 0.10 0.00 0.00 66.02 64.74 1jc5 s SER 74 CO 0.68 -2.45 1.94 0.71 0.98 0.00 0.00 173.24 175.09 1jc5 h THR 75 N -1.20 0.87 -0.30 2.02 1.35 -1.87 -2.58 112.91 111.20 1jc5 h THR 75 Ca -0.44 -0.90 -0.13 0.00 -0.55 0.00 0.00 66.41 64.39 1jc5 h THR 75 Cb 1.26 1.53 -0.00 0.00 -1.73 0.00 0.00 68.15 69.20 1jc5 h THR 75 CO 0.47 0.23 -0.31 0.58 -0.25 0.00 0.00 175.52 176.24 1jc5 h VAL 76 N 0.00 1.30 -0.69 6.82 2.07 -1.88 -0.73 116.25 123.13 1jc5 h VAL 76 Ca -0.00 -1.48 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 1jc5 h VAL 76 Cb 0.51 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1jc5 h VAL 76 CO 0.03 0.48 0.32 0.00 0.02 0.00 0.00 177.57 178.42 1jc5 h ALA 77 N 0.71 1.26 -0.40 1.67 0.00 -1.77 0.90 119.26 121.63 1jc5 h ALA 77 Ca 0.05 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1jc5 h ALA 77 Cb 0.89 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1jc5 h ALA 77 CO 0.08 0.57 -0.22 0.87 0.00 0.00 0.00 179.25 180.55 1jc5 h LYS 78 N 0.99 0.79 -0.06 0.00 1.57 -1.25 0.21 116.57 118.83 1jc5 h LYS 78 Ca 0.24 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1jc5 h LYS 78 Cb 0.12 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 1jc5 h LYS 78 CO -0.03 0.93 0.01 2.35 -0.57 0.00 0.00 179.45 182.15 1jc5 h TRP 79 N 0.69 0.10 -0.33 -1.35 7.01 -0.42 -0.56 115.95 121.07 1jc5 h TRP 79 Ca 0.10 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.12 1jc5 h TRP 79 Cb 0.73 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.73 1jc5 h TRP 79 CO 0.04 0.29 0.10 -0.07 -2.79 0.00 0.00 178.44 176.01 1jc5 h LEU 80 N -0.12 0.10 -1.16 0.65 3.38 -0.65 -2.00 115.31 115.51 1jc5 h LEU 80 Ca 0.02 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1jc5 h LEU 80 Cb 0.24 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1jc5 h LEU 80 CO 0.00 0.09 0.55 0.00 0.09 0.00 0.00 178.44 179.17 1jc5 h ALA 81 N 1.22 1.38 -0.17 1.53 0.00 -0.82 0.20 119.26 122.61 1jc5 h ALA 81 Ca 0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1jc5 h ALA 81 Cb 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1jc5 h ALA 81 CO -0.17 0.57 -0.02 -0.22 0.00 0.00 0.00 179.25 179.41 1jc5 h LYS 82 N 1.15 0.24 -0.98 0.00 3.64 -0.41 -0.59 116.57 119.62 1jc5 h LYS 82 Ca 0.31 -0.04 -0.58 0.00 -1.27 0.00 0.00 60.65 59.07 1jc5 h LYS 82 Cb -0.12 -0.04 -0.30 0.00 -0.41 0.00 0.00 32.23 31.36 1jc5 h LYS 82 CO -0.07 0.29 0.72 0.72 -2.27 0.00 0.00 179.45 178.85 1jc5 n HIS 83 N -4.37 3.10 -4.02 1.91 8.25 -0.42 -4.92 115.22 114.74 1jc5 n HIS 83 Ca -0.00 -2.39 -0.36 0.00 -0.26 0.00 0.00 57.72 54.71 1jc5 n HIS 83 Cb 0.19 -1.16 -0.00 0.00 1.12 0.00 0.00 29.99 30.13 1jc5 n HIS 83 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jc5 n ASN 84 N -1.04 -2.45 0.00 0.41 3.02 -0.23 -1.17 115.26 113.80 1jc5 n ASN 84 Ca 0.60 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 1jc5 n ASN 84 Cb 1.19 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 1jc5 n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jc5 n GLY 85 N -1.97 1.40 3.71 7.41 0.00 0.56 -4.98 105.19 111.32 1jc5 n GLY 85 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1jc5 n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jc5 s ARG 86 N -0.15 4.54 0.53 1.61 0.52 -0.32 -4.90 118.95 120.78 1jc5 s ARG 86 Ca 0.00 1.53 -0.17 0.00 -0.52 0.00 0.00 55.73 56.57 1jc5 s ARG 86 Cb 0.00 -3.42 -0.07 0.00 0.52 0.00 0.00 34.95 31.98 1jc5 s ARG 86 CO 0.00 -0.08 1.00 0.00 0.02 0.00 0.00 175.30 176.24 1jc5 s ALA 87 N 0.90 3.00 0.00 2.13 0.00 -1.26 -4.86 121.76 121.68 1jc5 s ALA 87 Ca 0.53 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1jc5 s ALA 87 Cb -0.24 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1jc5 s ALA 87 CO 0.29 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1jc5 n GLY 88 N -1.42 -0.94 3.69 0.00 0.00 -0.70 -5.01 105.19 100.80 1jc5 n GLY 88 Ca 0.07 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 1jc5 n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jc5 s LEU 89 N 0.00 4.38 -0.21 0.99 1.43 -1.26 -1.68 118.68 122.33 1jc5 s LEU 89 Ca 0.00 2.60 -0.17 0.00 -1.03 0.00 0.00 54.13 55.53 1jc5 s LEU 89 Cb 0.00 -3.56 -0.13 0.00 0.03 0.00 0.00 46.19 42.53 1jc5 s LEU 89 CO 0.00 -0.95 -0.05 1.57 0.23 0.00 0.00 176.35 177.15 1jc5 n HIS 90 N 5.88 0.67 -3.77 0.29 -0.00 0.14 -4.88 115.22 113.55 1jc5 n HIS 90 Ca 0.17 0.29 -0.04 0.00 -0.00 0.00 0.00 57.72 58.14 1jc5 n HIS 90 Cb 0.40 -0.96 -0.01 0.00 -0.00 0.00 0.00 29.99 29.41 1jc5 n HIS 90 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1jc5 s HIS 91 N -2.42 -0.14 0.10 1.57 -3.43 -1.21 -4.60 115.29 105.16 1jc5 s HIS 91 Ca -0.28 -0.19 0.05 0.00 -0.80 0.00 0.00 55.06 53.84 1jc5 s HIS 91 Cb 0.07 0.65 -0.04 0.00 -1.43 0.00 0.00 32.58 31.83 1jc5 s HIS 91 CO 0.48 -0.88 -0.01 -1.64 -2.00 0.00 0.00 174.74 170.68 1jc5 s MET 92 N -3.37 2.50 -0.08 -0.38 -1.94 -1.04 -0.27 119.30 114.72 1jc5 s MET 92 Ca 0.12 -0.87 0.03 0.00 -1.71 0.00 0.00 55.69 53.25 1jc5 s MET 92 Cb -0.02 -2.51 0.01 0.00 2.01 0.00 0.00 34.83 34.32 1jc5 s MET 92 CO 0.03 0.53 -0.16 0.00 -0.01 0.00 0.00 175.02 175.42 1jc5 s ALA 93 N -1.33 1.53 -0.16 3.03 0.00 -0.33 -0.71 121.76 123.79 1jc5 s ALA 93 Ca 0.25 -0.59 -0.03 0.00 0.00 0.00 0.00 51.96 51.60 1jc5 s ALA 93 Cb -0.11 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 1jc5 s ALA 93 CO 0.18 0.14 -0.05 -1.58 0.00 0.00 0.00 175.76 174.45 1jc5 s TRP 94 N 0.61 2.99 0.09 0.00 0.51 0.12 0.06 118.94 123.32 1jc5 s TRP 94 Ca -0.15 -0.40 -0.30 0.00 -2.12 0.00 0.00 56.10 53.12 1jc5 s TRP 94 Cb -0.16 -1.96 -0.05 0.00 -0.81 0.00 0.00 33.47 30.48 1jc5 s TRP 94 CO 0.05 -0.11 1.01 0.50 -0.51 0.00 0.00 176.95 177.88 1jc5 s ARG 95 N 0.50 4.63 0.15 4.98 3.52 -0.56 -1.38 118.95 130.77 1jc5 s ARG 95 Ca -0.04 1.51 0.07 0.00 -0.13 0.00 0.00 55.73 57.14 1jc5 s ARG 95 Cb -0.14 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 1jc5 s ARG 95 CO 0.03 0.09 -0.15 0.14 -0.81 0.00 0.00 175.30 174.60 1jc5 s VAL 96 N 0.31 1.51 0.05 7.11 -7.23 -0.31 -0.86 120.40 120.99 1jc5 s VAL 96 Ca 0.50 -1.88 -0.07 0.00 -1.81 0.00 0.00 61.98 58.72 1jc5 s VAL 96 Cb -0.24 -1.72 -0.30 0.00 0.56 0.00 0.00 36.38 34.68 1jc5 s VAL 96 CO 0.30 -0.44 1.05 -0.78 -0.31 0.00 0.00 175.10 174.92 1jc5 h ASP 97 N 3.23 0.51 -2.99 4.85 3.58 -1.87 -3.37 116.42 120.35 1jc5 h ASP 97 Ca -0.40 -0.57 -0.57 0.00 0.42 0.00 0.00 57.03 55.91 1jc5 h ASP 97 Cb 1.20 -0.17 -0.40 0.00 1.72 0.00 0.00 39.33 41.69 1jc5 h ASP 97 CO 0.54 1.45 -0.78 -0.62 -2.88 0.00 0.00 179.24 176.95 1jc5 s ASP 98 N -7.21 3.63 0.28 2.28 -1.08 -1.26 -4.85 116.67 108.45 1jc5 s ASP 98 Ca -0.06 -1.80 0.00 0.00 -0.52 0.00 0.00 52.55 50.17 1jc5 s ASP 98 Cb 0.06 -0.65 0.50 0.00 -1.46 0.00 0.00 42.92 41.37 1jc5 s ASP 98 CO 0.89 -0.38 1.88 -0.29 0.52 0.00 0.00 175.17 177.79 1jc5 h ILE 99 N 5.99 1.02 -0.30 4.11 -0.00 -1.93 -1.75 117.51 124.65 1jc5 h ILE 99 Ca -0.10 -0.37 -0.04 0.00 -0.00 0.00 0.00 64.86 64.36 1jc5 h ILE 99 Cb 0.99 -0.14 -0.01 0.00 -0.00 0.00 0.00 36.82 37.66 1jc5 h ILE 99 CO 0.42 0.20 0.04 0.44 -0.00 0.00 0.00 178.15 179.25 1jc5 h ASP 100 N 1.07 0.48 0.46 2.19 3.32 -1.99 -0.14 116.42 121.81 1jc5 h ASP 100 Ca 0.44 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1jc5 h ASP 100 Cb 0.29 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 1jc5 h ASP 100 CO -0.19 0.63 -0.27 0.00 -1.72 0.00 0.00 179.24 177.68 1jc5 h ALA 101 N 0.87 -1.12 -0.95 3.45 0.00 -1.87 -1.79 119.26 117.85 1jc5 h ALA 101 Ca 0.09 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 55.06 1jc5 h ALA 101 Cb 0.36 0.37 -0.11 0.00 0.00 0.00 0.00 17.79 18.40 1jc5 h ALA 101 CO 0.01 -1.09 0.52 0.28 0.00 0.00 0.00 179.25 178.97 1jc5 h VAL 102 N -0.68 0.61 -0.23 0.00 2.07 -1.39 0.32 116.25 116.95 1jc5 h VAL 102 Ca -0.06 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1jc5 h VAL 102 Cb 0.54 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1jc5 h VAL 102 CO 0.07 0.11 0.13 0.28 0.02 0.00 0.00 177.57 178.18 1jc5 h SER 103 N 0.60 0.29 -0.35 0.57 0.02 -0.89 0.58 113.55 114.36 1jc5 h SER 103 Ca 0.57 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.45 1jc5 h SER 103 Cb 0.98 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 1jc5 h SER 103 CO -0.44 0.27 0.22 0.00 -1.14 0.00 0.00 176.83 175.74 1jc5 h ALA 104 N 1.03 0.45 -0.48 3.77 0.00 -0.18 0.70 119.26 124.55 1jc5 h ALA 104 Ca 0.08 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1jc5 h ALA 104 Cb 0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1jc5 h ALA 104 CO -0.01 -0.07 0.27 1.15 0.00 0.00 0.00 179.25 180.59 1jc5 h THR 105 N 0.46 1.02 -0.46 0.00 2.02 -0.73 -1.26 112.91 113.97 1jc5 h THR 105 Ca 0.13 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 1jc5 h THR 105 Cb -0.01 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1jc5 h THR 105 CO -0.03 0.10 0.01 -0.07 0.37 0.00 0.00 175.52 175.90 1jc5 h LEU 106 N 0.54 0.79 -0.80 2.58 3.38 -0.60 -2.74 115.31 118.45 1jc5 h LEU 106 Ca 0.20 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1jc5 h LEU 106 Cb 0.04 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 1jc5 h LEU 106 CO -0.10 0.90 0.52 0.03 0.09 0.00 0.00 178.44 179.87 1jc5 h ARG 107 N 0.66 1.00 0.00 1.13 3.08 -0.60 -0.69 114.38 118.96 1jc5 h ARG 107 Ca 0.13 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1jc5 h ARG 107 Cb 0.49 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1jc5 h ARG 107 CO 0.02 0.66 -0.04 1.49 -1.07 0.00 0.00 179.97 181.03 1jc5 h GLU 108 N 1.03 0.00 -0.58 0.04 4.81 -1.00 -1.19 114.58 117.69 1jc5 h GLU 108 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1jc5 h GLU 108 Cb -0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1jc5 h GLU 108 CO -0.10 0.04 0.00 0.54 -0.73 0.00 0.00 179.01 178.77 1jc5 n ARG 109 N -3.57 2.37 -0.07 1.92 1.74 -0.37 -4.93 116.66 113.75 1jc5 n ARG 109 Ca -0.02 -2.13 0.00 0.00 -0.77 0.00 0.00 57.85 54.92 1jc5 n ARG 109 Cb 0.15 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1jc5 n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jc5 n GLY 110 N 1.45 0.48 3.74 -0.13 0.00 -0.45 -5.06 105.19 105.21 1jc5 n GLY 110 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1jc5 n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jc5 s VAL 111 N -2.19 3.64 -0.16 1.61 1.01 -0.58 -4.98 120.40 118.75 1jc5 s VAL 111 Ca 0.00 1.42 -0.08 0.00 0.00 0.00 0.00 61.98 63.33 1jc5 s VAL 111 Cb 0.00 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1jc5 s VAL 111 CO 0.00 0.25 0.09 -1.10 0.00 0.00 0.00 175.10 174.34 1jc5 s GLN 112 N -0.43 3.81 0.31 2.72 -1.52 -1.26 -4.07 119.66 119.21 1jc5 s GLN 112 Ca 0.51 -0.26 0.08 0.00 -1.95 0.00 0.00 55.36 53.73 1jc5 s GLN 112 Cb -0.32 -3.23 -0.04 0.00 -0.22 0.00 0.00 33.01 29.21 1jc5 s GLN 112 CO 0.37 0.45 0.19 -0.51 -0.25 0.00 0.00 175.29 175.54 1jc5 s LEU 113 N -0.11 3.49 -0.08 2.90 1.43 -1.26 -0.95 118.68 124.10 1jc5 s LEU 113 Ca 0.08 -0.54 -0.21 0.00 -1.03 0.00 0.00 54.13 52.44 1jc5 s LEU 113 Cb -0.12 -2.04 -0.17 0.00 0.03 0.00 0.00 46.19 43.90 1jc5 s LEU 113 CO 0.01 -0.23 0.75 0.25 0.23 0.00 0.00 176.35 177.36 1jc5 h LEU 114 N 1.47 -0.09 -9.70 1.79 6.46 0.07 -3.44 115.31 111.86 1jc5 h LEU 114 Ca -0.45 -0.49 -0.66 0.00 -0.12 0.00 0.00 57.88 56.17 1jc5 h LEU 114 Cb 1.25 0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 41.14 1jc5 h LEU 114 CO 0.61 0.57 -0.46 -0.31 -0.62 0.00 0.00 178.44 178.22 1jc5 s TYR 115 N -2.88 3.59 0.38 1.25 2.02 -1.26 -4.97 117.35 115.48 1jc5 s TYR 115 Ca -0.13 0.52 0.10 0.00 -0.37 0.00 0.00 57.07 57.19 1jc5 s TYR 115 Cb -0.00 -1.94 0.76 0.00 -0.40 0.00 0.00 41.96 40.38 1jc5 s TYR 115 CO 0.48 0.70 1.89 -0.44 -1.57 0.00 0.00 175.55 176.61 1jc5 h ASP 116 N 4.59 0.19 -4.30 2.29 3.32 -2.01 -3.43 116.42 117.06 1jc5 h ASP 116 Ca -0.53 -0.04 -0.50 0.00 0.02 0.00 0.00 57.03 55.98 1jc5 h ASP 116 Cb 1.22 -0.05 -0.24 0.00 0.22 0.00 0.00 39.33 40.48 1jc5 h ASP 116 CO 0.62 0.39 -0.81 -0.70 -1.72 0.00 0.00 179.24 177.01 1jc5 s GLU 117 N -4.61 1.08 0.52 3.56 2.56 -1.26 -5.12 118.70 115.43 1jc5 s GLU 117 Ca -0.05 -0.92 -0.20 0.00 0.00 0.00 0.00 54.97 53.80 1jc5 s GLU 117 Cb 0.15 -1.17 -0.08 0.00 2.00 0.00 0.00 34.13 35.02 1jc5 s GLU 117 CO 0.73 0.29 0.79 -2.30 -0.56 0.00 0.00 175.26 174.21 1jc5 n PRO 118 N 1.64 0.86 -4.34 4.30 -0.02 -1.26 -4.99 135.00 131.19 1jc5 n PRO 118 Ca -0.18 0.32 -0.26 0.00 -2.02 0.00 0.00 63.50 61.36 1jc5 n PRO 118 Cb 0.54 -1.91 -0.10 0.00 -0.02 0.00 0.00 33.50 32.01 1jc5 n PRO 118 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1jc5 s LYS 119 N -2.22 1.94 -0.01 -0.52 2.47 0.53 -4.87 119.74 117.07 1jc5 s LYS 119 Ca 0.69 -1.41 -0.28 0.00 -1.56 0.00 0.00 55.97 53.41 1jc5 s LYS 119 Cb -0.48 -2.05 -0.04 0.00 -1.46 0.00 0.00 37.83 33.81 1jc5 s LYS 119 CO 0.53 0.40 0.89 -1.17 0.16 0.00 0.00 175.35 176.16 1jc5 s LEU 120 N -3.03 4.37 0.00 5.43 2.96 -1.26 1.00 118.68 128.15 1jc5 s LEU 120 Ca 0.26 1.53 0.00 0.00 -0.22 0.00 0.00 54.13 55.70 1jc5 s LEU 120 Cb -0.08 -3.42 0.00 0.00 0.50 0.00 0.00 46.19 43.19 1jc5 s LEU 120 CO 0.15 -0.19 0.00 0.61 -1.32 0.00 0.00 176.35 175.60 1jc5 n GLY 121 N 2.87 3.70 3.75 7.98 0.00 0.45 -4.87 105.19 119.08 1jc5 n GLY 121 Ca 0.03 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.13 1jc5 n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jc5 s THR 122 N 4.37 5.03 -0.15 2.61 -4.23 -1.26 -3.86 115.64 118.15 1jc5 s THR 122 Ca 0.00 1.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.63 1jc5 s THR 122 Cb 0.00 -3.88 0.00 0.00 1.34 0.00 0.00 72.50 69.96 1jc5 s THR 122 CO 0.00 0.39 0.00 0.61 -0.54 0.00 0.00 174.62 175.08 1jc5 n GLY 123 N 2.74 0.50 1.23 3.99 0.00 -1.26 -2.74 105.19 109.65 1jc5 n GLY 123 Ca -0.07 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1jc5 n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jc5 n GLY 124 N -2.34 0.72 3.77 -0.02 0.00 -1.25 -4.55 105.19 101.51 1jc5 n GLY 124 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1jc5 n GLY 124 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jc5 s ASN 125 N -2.12 6.59 -0.17 1.61 0.01 -1.11 -3.89 114.94 115.85 1jc5 s ASN 125 Ca 0.00 2.63 -0.14 0.00 -0.71 0.00 0.00 52.86 54.64 1jc5 s ASN 125 Cb 0.00 -2.64 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 1jc5 s ASN 125 CO 0.00 -0.65 0.31 -0.13 -1.51 0.00 0.00 177.10 175.11 1jc5 s ARG 126 N -2.00 4.23 0.25 -0.60 0.52 -0.67 0.17 118.95 120.85 1jc5 s ARG 126 Ca 0.53 0.10 0.01 0.00 -0.52 0.00 0.00 55.73 55.85 1jc5 s ARG 126 Cb -0.38 -3.46 -0.05 0.00 0.52 0.00 0.00 34.95 31.58 1jc5 s ARG 126 CO 0.50 0.17 0.08 0.96 0.02 0.00 0.00 175.30 177.03 1jc5 s ILE 127 N 0.68 0.60 0.22 1.52 -4.36 0.28 -1.04 121.20 119.11 1jc5 s ILE 127 Ca 0.17 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.33 1jc5 s ILE 127 Cb -0.13 -2.57 0.05 0.00 1.25 0.00 0.00 42.46 41.05 1jc5 s ILE 127 CO 0.05 -0.07 0.87 0.21 0.24 0.00 0.00 174.94 176.24 1jc5 s ASN 128 N -3.30 -0.18 0.02 4.36 3.84 -0.87 -0.35 114.94 118.47 1jc5 s ASN 128 Ca 0.36 -0.56 0.02 0.00 0.21 0.00 0.00 52.86 52.89 1jc5 s ASN 128 Cb 0.08 0.61 -0.02 0.00 -0.55 0.00 0.00 41.25 41.36 1jc5 s ASN 128 CO 0.12 -1.13 -0.07 -0.36 -2.79 0.00 0.00 177.10 172.87 1jc5 s PHE 129 N -3.35 0.63 0.25 0.43 0.40 -1.26 -0.54 117.98 114.54 1jc5 s PHE 129 Ca 0.13 -0.34 -0.17 0.00 -0.60 0.00 0.00 56.93 55.95 1jc5 s PHE 129 Cb -0.03 -0.39 -0.08 0.00 0.51 0.00 0.00 43.02 43.03 1jc5 s PHE 129 CO 0.05 -0.05 0.71 -1.64 0.70 0.00 0.00 175.22 174.99 1jc5 s MET 130 N -1.00 4.13 0.44 0.44 -1.94 -0.53 0.79 119.30 121.63 1jc5 s MET 130 Ca -0.05 0.75 -0.25 0.00 -1.71 0.00 0.00 55.69 54.43 1jc5 s MET 130 Cb -0.07 -2.74 -0.08 0.00 2.01 0.00 0.00 34.83 33.96 1jc5 s MET 130 CO 0.00 0.33 1.31 -1.01 -0.01 0.00 0.00 175.02 175.63 1jc5 s HIS 131 N -1.67 2.70 0.34 -0.03 3.76 -0.13 -4.42 115.29 115.85 1jc5 s HIS 131 Ca 0.46 1.40 0.14 0.00 -0.15 0.00 0.00 55.06 56.92 1jc5 s HIS 131 Cb -0.14 -3.68 1.08 0.00 1.11 0.00 0.00 32.58 30.95 1jc5 s HIS 131 CO 0.20 -2.23 1.66 -1.35 -0.85 0.00 0.00 174.74 172.16 1jc5 h PRO 132 N 2.37 0.29 -0.45 8.40 0.11 -1.84 0.61 132.00 141.47 1jc5 h PRO 132 Ca -0.50 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.64 1jc5 h PRO 132 Cb 1.26 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 1jc5 h PRO 132 CO 0.61 0.19 0.21 0.87 -0.21 0.00 0.00 178.00 179.67 1jc5 h LYS 133 N 0.30 0.40 0.00 1.05 1.79 -1.89 0.12 116.57 118.34 1jc5 h LYS 133 Ca 0.73 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 59.15 1jc5 h LYS 133 Cb 1.67 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 32.23 1jc5 h LYS 133 CO -0.62 0.26 -0.13 0.77 -1.08 0.00 0.00 179.45 178.65 1jc5 h SER 134 N 0.41 0.00 -0.10 0.86 0.02 -0.13 -0.83 113.55 113.78 1jc5 h SER 134 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1jc5 h SER 134 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1jc5 h SER 134 CO -0.16 0.13 0.00 0.61 -1.14 0.00 0.00 176.83 176.27 1jc5 n GLY 135 N -1.08 0.21 3.59 -3.77 0.00 0.18 -4.94 105.19 99.39 1jc5 n GLY 135 Ca -0.03 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 1jc5 n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jc5 n LYS 136 N 0.30 -5.36 0.00 1.61 4.76 0.13 -3.44 118.16 116.17 1jc5 n LYS 136 Ca 0.17 0.70 0.00 0.00 -2.87 0.00 0.00 58.31 56.32 1jc5 n LYS 136 Cb 0.35 -5.42 0.00 0.00 -1.84 0.00 0.00 35.03 28.12 1jc5 n LYS 136 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jc5 n GLY 137 N -1.41 2.15 3.63 0.72 0.00 -0.56 -5.03 105.19 104.69 1jc5 n GLY 137 Ca -0.29 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 1jc5 n GLY 137 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1jc5 n VAL 138 N 0.00 2.77 -3.02 1.61 3.14 -1.22 -4.73 118.33 116.88 1jc5 n VAL 138 Ca 0.00 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.46 1jc5 n VAL 138 Cb 0.00 -1.25 -0.06 0.00 -1.06 0.00 0.00 33.84 31.47 1jc5 n VAL 138 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1jc5 s LEU 139 N -1.16 4.16 -0.21 6.55 2.96 -1.26 -4.18 118.68 125.53 1jc5 s LEU 139 Ca 0.66 0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 54.89 1jc5 s LEU 139 Cb -0.51 -2.93 -0.02 0.00 0.50 0.00 0.00 46.19 43.23 1jc5 s LEU 139 CO 0.55 -0.63 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.30 1jc5 s ILE 140 N 2.88 3.65 0.04 6.68 1.01 -1.26 -2.50 121.20 131.70 1jc5 s ILE 140 Ca 0.29 -0.41 -0.05 0.00 0.00 0.00 0.00 60.65 60.47 1jc5 s ILE 140 Cb -0.14 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.63 1jc5 s ILE 140 CO 0.15 0.42 0.28 -0.70 0.00 0.00 0.00 174.94 175.09 1jc5 s GLU 141 N 1.26 3.57 -0.12 2.79 2.12 0.11 -1.45 118.70 126.98 1jc5 s GLU 141 Ca 0.03 -0.12 -0.04 0.00 0.36 0.00 0.00 54.97 55.20 1jc5 s GLU 141 Cb -0.14 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 1jc5 s GLU 141 CO -0.00 0.61 0.04 -0.51 -0.54 0.00 0.00 175.26 174.85 1jc5 s LEU 142 N -2.03 3.75 -0.11 2.70 1.43 0.30 0.13 118.68 124.84 1jc5 s LEU 142 Ca 0.31 0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 53.52 1jc5 s LEU 142 Cb -0.13 -1.90 0.05 0.00 0.03 0.00 0.00 46.19 44.25 1jc5 s LEU 142 CO 0.19 0.31 0.25 0.28 0.23 0.00 0.00 176.35 177.61 1jc5 s THR 143 N -0.46 -0.18 -0.06 5.49 -1.32 -0.48 -2.05 115.64 116.57 1jc5 s THR 143 Ca 0.09 0.21 -0.01 0.00 -1.21 0.00 0.00 61.69 60.77 1jc5 s THR 143 Cb -0.12 -0.40 -0.03 0.00 -1.51 0.00 0.00 72.50 70.44 1jc5 s THR 143 CO 0.02 0.09 -0.01 -1.58 -2.21 0.00 0.00 174.62 170.92 1jc5 s GLN 144 N 1.72 2.89 0.42 7.08 0.74 -0.20 -1.16 119.66 131.14 1jc5 s GLN 144 Ca -0.05 -0.48 -0.23 0.00 0.05 0.00 0.00 55.36 54.65 1jc5 s GLN 144 Cb -0.11 -2.72 -0.09 0.00 1.10 0.00 0.00 33.01 31.19 1jc5 s GLN 144 CO -0.08 0.68 1.02 0.71 -0.55 0.00 0.00 175.29 177.07 1jc5 s TYR 145 N -0.91 3.23 -0.85 1.67 1.51 -1.26 -1.67 117.35 119.07 1jc5 s TYR 145 Ca 0.14 1.63 -0.25 0.00 -1.01 0.00 0.00 57.07 57.59 1jc5 s TYR 145 Cb -0.11 -3.06 -0.07 0.00 -0.11 0.00 0.00 41.96 38.61 1jc5 s TYR 145 CO 0.04 -0.55 2.06 -1.25 -1.11 0.00 0.00 175.55 174.73 1jc5 s PRO 146 N -2.75 2.33 0.00 -1.71 0.04 -1.25 -4.79 135.00 126.86 1jc5 s PRO 146 Ca 0.60 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1jc5 s PRO 146 Cb -0.18 -4.96 0.00 0.00 0.04 0.00 0.00 34.50 29.40 1jc5 s PRO 146 CO 0.23 -3.59 0.24 1.63 0.04 0.00 0.00 177.00 175.55