#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jzn h ASN 2 N 0.00 0.00 -5.19 6.41 2.35 -2.01 -3.46 115.58 113.68 1jzn h ASN 2 Ca 0.00 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.47 1jzn h ASN 2 Cb 0.00 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.22 1jzn h ASN 2 CO 0.00 0.00 -0.62 0.00 -1.65 0.00 0.00 177.43 175.16 1jzn s PRO 4 N -4.11 1.02 0.40 0.00 0.02 -1.26 -4.89 135.00 126.19 1jzn s PRO 4 Ca 0.38 0.99 0.29 0.00 0.02 0.00 0.00 61.00 62.67 1jzn s PRO 4 Cb 0.07 -1.77 1.25 0.00 0.02 0.00 0.00 34.50 34.07 1jzn s PRO 4 CO 0.12 -2.45 1.86 -0.07 -0.33 0.00 0.00 177.00 176.13 1jzn h LEU 5 N -1.71 0.00 -3.32 -5.54 3.38 -2.00 -2.83 115.31 103.28 1jzn h LEU 5 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1jzn h LEU 5 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1jzn h LEU 5 CO 0.51 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.14 1jzn n ASP 6 N -2.62 5.17 -4.48 -0.43 5.75 -1.26 -4.92 116.55 113.77 1jzn n ASP 6 Ca 0.01 -2.66 -0.27 0.00 -0.01 0.00 0.00 54.79 51.86 1jzn n ASP 6 Cb 0.23 -0.62 -0.11 0.00 -1.03 0.00 0.00 41.12 39.59 1jzn n ASP 6 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1jzn s TRP 7 N -2.24 2.44 -0.33 2.11 0.52 -1.07 -4.88 118.94 115.49 1jzn s TRP 7 Ca 0.53 -0.30 -0.18 0.00 0.02 0.00 0.00 56.10 56.16 1jzn s TRP 7 Cb 0.37 -1.22 -0.01 0.00 -1.15 0.00 0.00 33.47 31.45 1jzn s TRP 7 CO 0.21 0.48 0.51 -1.17 0.02 0.00 0.00 176.95 176.99 1jzn s LEU 8 N -2.60 4.26 0.23 2.99 2.96 0.19 -4.82 118.68 121.88 1jzn s LEU 8 Ca 0.21 0.11 -0.30 0.00 -0.22 0.00 0.00 54.13 53.94 1jzn s LEU 8 Cb -0.09 -2.59 -0.09 0.00 0.50 0.00 0.00 46.19 43.92 1jzn s LEU 8 CO 0.11 -0.42 1.01 -2.84 -1.32 0.00 0.00 176.35 172.89 1jzn s PRO 9 N 2.36 4.74 -0.30 0.98 0.02 -1.26 -0.22 135.00 141.32 1jzn s PRO 9 Ca 0.19 1.60 -0.09 0.00 0.02 0.00 0.00 61.00 62.73 1jzn s PRO 9 Cb -0.15 -3.27 0.16 0.00 0.02 0.00 0.00 34.50 31.26 1jzn s PRO 9 CO 0.12 0.34 0.77 1.41 -0.33 0.00 0.00 177.00 179.31 1jzn s MET 10 N -1.01 0.45 -1.41 5.54 1.75 -0.03 -4.95 119.30 119.64 1jzn s MET 10 Ca 0.44 0.97 -0.06 0.00 -1.25 0.00 0.00 55.69 55.79 1jzn s MET 10 Cb -0.28 0.57 0.00 0.00 2.84 0.00 0.00 34.83 37.97 1jzn s MET 10 CO 0.35 -0.31 0.34 0.09 -0.65 0.00 0.00 175.02 174.83 1jzn n ASN 11 N 5.34 -0.79 0.00 1.11 3.02 -1.26 -1.75 115.26 120.92 1jzn n ASN 11 Ca -0.07 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 1jzn n ASN 11 Cb 0.51 -2.40 0.00 0.00 -0.61 0.00 0.00 39.78 37.28 1jzn n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jzn n GLY 12 N -2.18 1.91 3.63 7.41 0.00 -1.26 -5.03 105.19 109.66 1jzn n GLY 12 Ca -0.27 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 1jzn n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jzn s LEU 13 N 0.00 2.38 -0.03 0.99 1.43 -0.72 -4.88 118.68 117.85 1jzn s LEU 13 Ca 0.00 -1.54 0.05 0.00 -1.03 0.00 0.00 54.13 51.62 1jzn s LEU 13 Cb 0.00 -0.60 -0.01 0.00 0.03 0.00 0.00 46.19 45.61 1jzn s LEU 13 CO 0.00 -0.72 -0.20 0.00 0.23 0.00 0.00 176.35 175.66 1jzn s TYR 15 N -0.23 1.85 -0.20 0.00 1.51 0.69 -0.43 117.35 120.53 1jzn s TYR 15 Ca 0.02 -0.41 -0.12 0.00 -1.01 0.00 0.00 57.07 55.55 1jzn s TYR 15 Cb -0.10 -1.02 0.06 0.00 -0.11 0.00 0.00 41.96 40.79 1jzn s TYR 15 CO 0.01 0.21 0.50 0.21 -1.11 0.00 0.00 175.55 175.37 1jzn s LYS 16 N -1.84 0.51 0.22 -0.62 2.20 -0.89 0.53 119.74 119.84 1jzn s LYS 16 Ca 0.07 0.91 -0.24 0.00 -0.36 0.00 0.00 55.97 56.35 1jzn s LYS 16 Cb -0.10 0.05 -0.08 0.00 -1.51 0.00 0.00 37.83 36.19 1jzn s LYS 16 CO 0.04 -0.15 0.80 0.96 -0.36 0.00 0.00 175.35 176.65 1jzn s ILE 17 N 1.36 4.38 -0.16 5.43 -5.25 -1.26 -1.75 121.20 123.95 1jzn s ILE 17 Ca -0.09 1.62 0.02 0.00 -0.99 0.00 0.00 60.65 61.21 1jzn s ILE 17 Cb -0.07 -4.04 0.01 0.00 2.95 0.00 0.00 42.46 41.31 1jzn s ILE 17 CO -0.14 0.35 -0.21 -0.36 -1.79 0.00 0.00 174.94 172.80 1jzn s PHE 18 N -1.35 2.73 -0.87 1.37 0.40 0.54 -4.99 117.98 115.82 1jzn s PHE 18 Ca 0.41 -1.50 0.27 0.00 -0.60 0.00 0.00 56.93 55.51 1jzn s PHE 18 Cb -0.20 -1.88 1.02 0.00 0.51 0.00 0.00 43.02 42.47 1jzn s PHE 18 CO 0.25 -0.72 1.84 0.09 0.70 0.00 0.00 175.22 177.38 1jzn n ASN 19 N 4.37 0.39 -4.77 1.36 3.02 -1.26 -1.44 115.26 116.93 1jzn n ASN 19 Ca -0.21 0.54 -0.41 0.00 -0.03 0.00 0.00 54.58 54.47 1jzn n ASN 19 Cb 0.51 -0.64 -0.01 0.00 -0.61 0.00 0.00 39.78 39.02 1jzn n ASN 19 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1jzn s GLN 20 N -3.05 4.23 -0.18 3.52 1.11 -1.26 -4.72 119.66 119.31 1jzn s GLN 20 Ca 0.12 2.39 -0.22 0.00 0.01 0.00 0.00 55.36 57.67 1jzn s GLN 20 Cb 0.16 -3.03 -0.02 0.00 -1.01 0.00 0.00 33.01 29.10 1jzn s GLN 20 CO 0.55 -0.38 0.67 -0.51 0.01 0.00 0.00 175.29 175.63 1jzn s LEU 21 N -1.71 4.17 0.05 2.90 1.43 -1.26 -4.36 118.68 119.90 1jzn s LEU 21 Ca 0.52 0.93 -0.00 0.00 -1.03 0.00 0.00 54.13 54.55 1jzn s LEU 21 Cb -0.43 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 1jzn s LEU 21 CO 0.56 -0.27 -0.04 -0.54 0.23 0.00 0.00 176.35 176.29 1jzn s LYS 22 N 1.80 0.60 0.91 1.70 1.02 -0.41 -4.81 119.74 120.55 1jzn s LYS 22 Ca 0.31 -1.15 -0.11 0.00 0.02 0.00 0.00 55.97 55.04 1jzn s LYS 22 Cb -0.16 0.12 0.14 0.00 -0.52 0.00 0.00 37.83 37.41 1jzn s LYS 22 CO 0.11 -0.08 1.09 0.95 -0.92 0.00 0.00 175.35 176.50 1jzn s THR 23 N -3.49 2.61 0.17 2.17 -4.23 -1.25 -1.95 115.64 109.67 1jzn s THR 23 Ca 0.04 0.20 -0.15 0.00 -1.18 0.00 0.00 61.69 60.60 1jzn s THR 23 Cb 0.05 -2.63 0.06 0.00 1.34 0.00 0.00 72.50 71.32 1jzn s THR 23 CO -0.08 -0.26 1.73 -0.25 -0.54 0.00 0.00 174.62 175.23 1jzn h TRP 24 N -1.62 0.19 -0.16 3.99 7.01 -1.34 -1.96 115.95 122.06 1jzn h TRP 24 Ca -0.50 0.02 -0.13 0.00 2.11 0.00 0.00 58.89 60.40 1jzn h TRP 24 Cb 1.28 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 28.31 1jzn h TRP 24 CO 0.42 0.04 -0.47 0.93 -2.79 0.00 0.00 178.44 176.58 1jzn h GLU 25 N 0.25 0.39 -0.07 2.65 5.08 -1.92 -2.47 114.58 118.50 1jzn h GLU 25 Ca 0.20 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1jzn h GLU 25 Cb 0.23 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1jzn h GLU 25 CO -0.24 0.78 -0.35 -0.44 -1.00 0.00 0.00 179.01 177.76 1jzn h ASP 26 N 0.32 0.13 -0.27 1.42 3.32 -1.84 -1.94 116.42 117.56 1jzn h ASP 26 Ca 0.02 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 1jzn h ASP 26 Cb 0.95 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1jzn h ASP 26 CO 0.08 0.47 -0.14 0.00 -1.72 0.00 0.00 179.24 177.93 1jzn h ALA 27 N 1.54 0.38 -0.48 3.45 0.00 -1.17 -1.47 119.26 121.51 1jzn h ALA 27 Ca 0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1jzn h ALA 27 Cb 0.67 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1jzn h ALA 27 CO 0.05 0.27 0.21 1.49 0.00 0.00 0.00 179.25 181.26 1jzn h GLU 28 N 0.31 0.71 -0.11 0.00 4.57 -1.30 -1.41 114.58 117.34 1jzn h GLU 28 Ca 0.06 -0.12 -0.10 0.00 -1.18 0.00 0.00 59.36 58.02 1jzn h GLU 28 Cb 0.66 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1jzn h GLU 28 CO 0.04 0.62 -0.37 0.52 -1.18 0.00 0.00 179.01 178.64 1jzn h MET 29 N 0.63 0.24 -0.57 1.92 2.86 -1.33 -1.28 114.93 117.40 1jzn h MET 29 Ca 0.16 -0.10 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 1jzn h MET 29 Cb 0.17 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1jzn h MET 29 CO -0.02 0.58 -0.04 0.35 1.06 0.00 0.00 176.91 178.85 1jzn h PHE 30 N 0.20 1.13 -0.46 -0.22 3.04 -0.93 -0.29 116.94 119.42 1jzn h PHE 30 Ca 0.02 -0.21 -0.06 0.00 3.98 0.00 0.00 57.97 61.70 1jzn h PHE 30 Cb 0.76 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.96 1jzn h PHE 30 CO 0.01 1.02 0.06 0.00 -2.02 0.00 0.00 178.31 177.39 1jzn h ARG 32 N 0.63 1.23 -0.03 0.00 2.47 -1.01 -2.03 114.38 115.64 1jzn h ARG 32 Ca 0.14 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1jzn h ARG 32 Cb 0.41 -0.28 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1jzn h ARG 32 CO 0.01 0.81 0.00 1.63 0.56 0.00 0.00 179.97 182.99 1jzn n LYS 33 N -4.43 1.51 -0.04 0.04 4.76 -0.14 -4.06 118.16 115.80 1jzn n LYS 33 Ca 0.11 -0.75 -0.13 0.00 -2.87 0.00 0.00 58.31 54.67 1jzn n LYS 33 Cb 0.01 -1.46 -0.08 0.00 -1.84 0.00 0.00 35.03 31.66 1jzn n LYS 33 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 1jzn h TYR 34 N 1.75 0.34 -1.57 2.13 5.03 -0.52 -3.47 116.97 120.66 1jzn h TYR 34 Ca 0.00 -0.11 0.09 0.00 2.58 0.00 0.00 58.73 61.29 1jzn h TYR 34 Cb 0.37 -0.07 -0.23 0.00 1.55 0.00 0.00 36.73 38.36 1jzn h TYR 34 CO 0.02 0.71 0.55 0.21 -1.32 0.00 0.00 178.16 178.33 1jzn s LYS 35 N -4.21 0.59 0.34 1.82 2.20 -1.25 -5.12 119.74 114.10 1jzn s LYS 35 Ca -0.15 0.13 -0.29 0.00 -0.36 0.00 0.00 55.97 55.30 1jzn s LYS 35 Cb 0.04 0.28 -0.11 0.00 -1.51 0.00 0.00 37.83 36.53 1jzn s LYS 35 CO 0.74 -0.19 1.51 -1.25 -0.36 0.00 0.00 175.35 175.80 1jzn s PRO 36 N -1.18 4.14 0.00 4.03 0.04 -1.26 -3.25 135.00 137.52 1jzn s PRO 36 Ca -0.01 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.57 1jzn s PRO 36 Cb -0.00 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.54 1jzn s PRO 36 CO 0.01 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 176.92 1jzn n GLY 37 N 1.09 1.09 3.26 0.56 0.00 -1.26 -4.70 105.19 105.22 1jzn n GLY 37 Ca 0.03 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 1jzn n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jzn s HIS 39 N -1.41 0.38 0.55 0.00 3.76 -0.38 -3.64 115.29 114.56 1jzn s HIS 39 Ca 0.06 -0.89 -0.20 0.00 -0.15 0.00 0.00 55.06 53.88 1jzn s HIS 39 Cb -0.09 0.52 -0.05 0.00 1.11 0.00 0.00 32.58 34.07 1jzn s HIS 39 CO 0.04 -1.38 1.22 -0.51 -0.85 0.00 0.00 174.74 173.26 1jzn s LEU 40 N -3.10 3.79 0.49 0.89 1.43 -1.26 -0.34 118.68 120.57 1jzn s LEU 40 Ca 0.20 2.42 -0.24 0.00 -1.03 0.00 0.00 54.13 55.49 1jzn s LEU 40 Cb -0.04 -4.46 -0.07 0.00 0.03 0.00 0.00 46.19 41.66 1jzn s LEU 40 CO 0.13 -1.41 1.35 0.00 0.23 0.00 0.00 176.35 176.65 1jzn s ALA 41 N -1.54 3.03 0.12 4.21 0.00 0.05 -4.09 121.76 123.53 1jzn s ALA 41 Ca 0.73 1.31 0.07 0.00 0.00 0.00 0.00 51.96 54.07 1jzn s ALA 41 Cb -0.31 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.23 1jzn s ALA 41 CO 0.36 -1.15 -0.09 -1.54 0.00 0.00 0.00 175.76 173.34 1jzn s SER 42 N -0.84 4.41 -0.02 0.00 1.04 -1.26 -0.16 113.70 116.87 1jzn s SER 42 Ca 0.65 -0.41 0.07 0.00 0.48 0.00 0.00 55.95 56.74 1jzn s SER 42 Cb -0.40 -0.84 -0.02 0.00 0.10 0.00 0.00 66.02 64.87 1jzn s SER 42 CO 0.49 0.16 -0.22 -0.36 0.98 0.00 0.00 173.24 174.28 1jzn s PHE 43 N -1.32 2.05 0.00 5.02 0.40 -1.26 -5.03 117.98 117.84 1jzn s PHE 43 Ca 0.22 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 56.13 1jzn s PHE 43 Cb -0.11 -1.32 0.00 0.00 0.51 0.00 0.00 43.02 42.10 1jzn s PHE 43 CO 0.14 -0.06 0.10 0.72 0.70 0.00 0.00 175.22 176.82 1jzn n HIS 44 N 2.62 0.00 -3.79 0.36 8.25 -1.26 -4.62 115.22 116.78 1jzn n HIS 44 Ca -0.16 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.17 1jzn n HIS 44 Cb 0.52 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.54 1jzn n HIS 44 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1jzn s ARG 45 N -0.01 0.55 0.23 -0.41 0.52 -1.26 -4.77 118.95 113.80 1jzn s ARG 45 Ca 0.00 -0.10 -0.07 0.00 -0.52 0.00 0.00 55.73 55.04 1jzn s ARG 45 Cb 0.00 0.25 0.35 0.00 0.52 0.00 0.00 34.95 36.07 1jzn s ARG 45 CO 0.00 -0.14 1.77 -0.92 0.02 0.00 0.00 175.30 176.03 1jzn h TYR 46 N 4.38 0.58 -0.70 -0.53 3.20 -1.99 -1.56 116.97 120.35 1jzn h TYR 46 Ca -0.29 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.62 1jzn h TYR 46 Cb 1.18 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.26 1jzn h TYR 46 CO 0.51 0.18 0.46 0.78 -1.64 0.00 0.00 178.16 178.46 1jzn h GLY 47 N 0.55 0.98 0.97 1.82 0.00 -2.00 -2.14 103.07 103.24 1jzn h GLY 47 Ca 0.36 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 1jzn h GLY 47 CO -0.30 0.35 0.18 0.83 0.00 0.00 0.00 176.54 177.61 1jzn h GLU 48 N 0.93 0.75 -0.50 4.80 5.08 -1.70 -1.97 114.58 121.97 1jzn h GLU 48 Ca 0.26 -0.15 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1jzn h GLU 48 Cb -0.09 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 28.99 1jzn h GLU 48 CO -0.06 0.68 0.22 0.77 -1.00 0.00 0.00 179.01 179.62 1jzn h SER 49 N 0.66 0.28 -0.40 1.42 0.02 -1.08 0.12 113.55 114.57 1jzn h SER 49 Ca 0.16 0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 61.00 1jzn h SER 49 Cb 0.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1jzn h SER 49 CO -0.01 0.19 -0.35 -0.07 -1.14 0.00 0.00 176.83 175.45 1jzn h LEU 50 N 0.43 1.00 -0.08 5.07 3.38 -1.36 -0.78 115.31 122.98 1jzn h LEU 50 Ca 0.23 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1jzn h LEU 50 Cb 0.20 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1jzn h LEU 50 CO -0.20 1.24 -0.00 -0.08 0.09 0.00 0.00 178.44 179.49 1jzn h GLU 51 N 0.78 0.14 -0.79 1.13 4.57 -1.11 -2.37 114.58 116.93 1jzn h GLU 51 Ca 0.07 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1jzn h GLU 51 Cb 0.94 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.48 1jzn h GLU 51 CO 0.09 0.42 0.46 0.82 -1.18 0.00 0.00 179.01 179.61 1jzn h ILE 52 N -0.16 1.22 -0.55 2.32 1.08 -0.77 -1.22 117.51 119.44 1jzn h ILE 52 Ca 0.02 -0.52 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 1jzn h ILE 52 Cb 0.36 0.13 -0.03 0.00 -3.07 0.00 0.00 36.82 34.21 1jzn h ILE 52 CO 0.00 0.24 0.35 0.00 -0.69 0.00 0.00 178.15 178.05 1jzn h ALA 53 N 1.41 0.69 -0.28 1.87 0.00 -0.96 0.09 119.26 122.09 1jzn h ALA 53 Ca 0.28 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1jzn h ALA 53 Cb -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1jzn h ALA 53 CO -0.05 0.15 -0.21 1.49 0.00 0.00 0.00 179.25 180.63 1jzn h GLU 54 N 0.74 0.63 -0.35 0.00 4.81 -1.19 -0.96 114.58 118.26 1jzn h GLU 54 Ca 0.20 -0.31 0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1jzn h GLU 54 Cb -0.05 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.28 1jzn h GLU 54 CO -0.04 0.90 0.06 -0.92 -0.73 0.00 0.00 179.01 178.29 1jzn h TYR 55 N 0.37 0.10 -0.46 0.92 -0.00 -0.93 -1.06 116.97 115.90 1jzn h TYR 55 Ca 0.05 0.02 -0.02 0.00 -0.00 0.00 0.00 58.73 58.78 1jzn h TYR 55 Cb 0.76 0.01 -0.02 0.00 -0.00 0.00 0.00 36.73 37.47 1jzn h TYR 55 CO 0.07 0.01 0.21 0.82 -0.00 0.00 0.00 178.16 179.27 1jzn h ILE 56 N 0.18 1.19 0.00 1.81 2.04 -0.92 -0.90 117.51 120.91 1jzn h ILE 56 Ca 0.17 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 1jzn h ILE 56 Cb 0.20 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1jzn h ILE 56 CO -0.23 0.21 -0.02 0.28 0.00 0.00 0.00 178.15 178.40 1jzn h SER 57 N 0.60 0.00 0.36 1.72 0.02 -0.52 0.26 113.55 115.99 1jzn h SER 57 Ca 0.16 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.79 1jzn h SER 57 Cb 0.14 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.64 1jzn h SER 57 CO -0.02 0.02 -1.86 0.47 -1.14 0.00 0.00 176.83 174.30 1jzn n ASP 58 N -3.96 1.01 -0.48 3.07 8.00 -0.46 -4.44 116.55 119.28 1jzn n ASP 58 Ca -0.03 0.32 0.07 0.00 0.71 0.00 0.00 54.79 55.86 1jzn n ASP 58 Cb 0.10 -0.08 0.04 0.00 -0.02 0.00 0.00 41.12 41.16 1jzn n ASP 58 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1jzn n TYR 59 N -3.09 0.00 -4.05 1.24 4.02 -0.39 -4.89 117.16 110.00 1jzn n TYR 59 Ca -0.22 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.35 1jzn n TYR 59 Cb 1.06 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 40.23 1jzn n TYR 59 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1jzn s HIS 60 N -1.19 3.34 0.54 -0.72 2.46 0.88 -5.00 115.29 115.62 1jzn s HIS 60 Ca 0.14 -2.45 -0.15 0.00 0.47 0.00 0.00 55.06 53.07 1jzn s HIS 60 Cb 0.11 -2.13 -0.07 0.00 -0.13 0.00 0.00 32.58 30.37 1jzn s HIS 60 CO 0.19 -0.89 1.00 -1.59 -2.47 0.00 0.00 174.74 170.98 1jzn s LYS 61 N 1.07 3.81 0.20 2.88 0.00 -1.26 -4.71 119.74 121.73 1jzn s LYS 61 Ca -0.05 0.93 0.00 0.00 0.00 0.00 0.00 55.97 56.86 1jzn s LYS 61 Cb -0.20 -2.11 0.00 0.00 0.00 0.00 0.00 37.83 35.52 1jzn s LYS 61 CO -0.06 -0.39 0.00 0.41 0.00 0.00 0.00 175.35 175.32 1jzn n GLY 62 N -1.77 -2.52 0.50 0.59 0.00 -1.26 -4.68 105.19 96.06 1jzn n GLY 62 Ca 0.07 -1.63 0.06 0.00 0.00 0.00 0.00 46.02 44.52 1jzn n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jzn n GLN 63 N -0.61 1.56 -2.22 1.61 1.13 -1.26 -5.03 117.38 112.55 1jzn n GLN 63 Ca 0.00 -3.08 -0.40 0.00 -1.94 0.00 0.00 57.00 51.58 1jzn n GLN 63 Cb 0.00 -1.61 -0.02 0.00 0.11 0.00 0.00 30.24 28.72 1jzn n GLN 63 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1jzn s GLU 64 N -3.13 4.33 1.01 -1.09 0.41 -1.26 -4.69 118.70 114.28 1jzn s GLU 64 Ca 0.37 2.05 -0.13 0.00 -0.41 0.00 0.00 54.97 56.85 1jzn s GLU 64 Cb 0.35 -3.00 0.19 0.00 -1.78 0.00 0.00 34.13 29.89 1jzn s GLU 64 CO -0.03 -0.15 1.11 -0.80 -0.49 0.00 0.00 175.26 174.90 1jzn s ASN 65 N -0.72 2.59 -0.11 -0.19 0.01 -1.26 -4.74 114.94 110.52 1jzn s ASN 65 Ca 0.50 1.05 0.01 0.00 -0.71 0.00 0.00 52.86 53.71 1jzn s ASN 65 Cb -0.36 -1.65 0.02 0.00 0.41 0.00 0.00 41.25 39.67 1jzn s ASN 65 CO 0.47 -3.14 -0.11 -0.69 -1.51 0.00 0.00 177.10 172.12 1jzn s VAL 66 N -3.05 1.26 0.29 1.60 1.01 -0.88 -1.75 120.40 118.87 1jzn s VAL 66 Ca 0.66 -0.47 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 1jzn s VAL 66 Cb -0.17 -1.20 -0.10 0.00 0.00 0.00 0.00 36.38 34.91 1jzn s VAL 66 CO 0.56 0.40 1.35 0.26 0.00 0.00 0.00 175.10 177.67 1jzn s TRP 67 N 1.31 3.07 0.48 5.22 0.23 0.06 0.03 118.94 129.33 1jzn s TRP 67 Ca -0.01 1.27 0.02 0.00 -2.03 0.00 0.00 56.10 55.36 1jzn s TRP 67 Cb -0.14 -3.71 -0.02 0.00 0.03 0.00 0.00 33.47 29.63 1jzn s TRP 67 CO -0.05 -2.10 0.02 0.96 0.96 0.00 0.00 176.95 176.74 1jzn s ILE 68 N -0.63 1.20 -0.95 2.03 -4.36 -0.80 -1.84 121.20 115.84 1jzn s ILE 68 Ca 0.53 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.95 1jzn s ILE 68 Cb -0.40 -2.31 0.14 0.00 1.25 0.00 0.00 42.46 41.14 1jzn s ILE 68 CO 0.48 0.00 0.74 0.61 0.24 0.00 0.00 174.94 177.02 1jzn n GLY 69 N -1.16 1.61 3.84 6.27 0.00 0.78 -4.65 105.19 111.87 1jzn n GLY 69 Ca -0.15 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 1jzn n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jzn s LEU 70 N -0.52 4.42 0.08 0.99 2.96 -1.26 -1.41 118.68 123.94 1jzn s LEU 70 Ca 0.09 0.72 -0.25 0.00 -0.22 0.00 0.00 54.13 54.48 1jzn s LEU 70 Cb 0.07 -2.36 0.07 0.00 0.50 0.00 0.00 46.19 44.47 1jzn s LEU 70 CO 0.03 0.33 0.61 0.00 -1.32 0.00 0.00 176.35 176.00 1jzn s ARG 71 N -0.89 1.18 -1.05 1.98 1.70 -0.83 -1.69 118.95 119.35 1jzn s ARG 71 Ca 0.20 -0.23 -0.06 0.00 -0.47 0.00 0.00 55.73 55.16 1jzn s ARG 71 Cb -0.14 0.54 0.26 0.00 -0.57 0.00 0.00 34.95 35.04 1jzn s ARG 71 CO 0.09 -0.46 1.03 -3.47 -1.08 0.00 0.00 175.30 171.40 1jzn n ASP 72 N 0.11 5.14 -0.30 -2.89 2.03 -0.08 -1.29 116.55 119.28 1jzn n ASP 72 Ca -0.18 -3.09 0.00 0.00 0.52 0.00 0.00 54.79 52.05 1jzn n ASP 72 Cb 0.62 -1.27 0.13 0.00 -0.72 0.00 0.00 41.12 39.88 1jzn n ASP 72 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1jzn h LYS 73 N 6.37 0.93 -0.05 -0.67 3.64 -1.84 -1.13 116.57 123.81 1jzn h LYS 73 Ca 0.18 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1jzn h LYS 73 Cb 0.84 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1jzn h LYS 73 CO 0.98 0.61 0.00 1.63 -2.27 0.00 0.00 179.45 180.40 1jzn n LYS 74 N -4.63 1.25 -3.44 1.90 5.02 -1.26 -4.90 118.16 112.10 1jzn n LYS 74 Ca 0.12 -0.38 -0.25 0.00 -2.02 0.00 0.00 58.31 55.78 1jzn n LYS 74 Cb 0.17 -1.35 0.01 0.00 -0.02 0.00 0.00 35.03 33.83 1jzn n LYS 74 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1jzn n LYS 75 N -0.42 -3.97 -0.17 1.97 5.02 -0.43 -4.84 118.16 115.31 1jzn n LYS 75 Ca 0.16 0.56 0.05 0.00 -2.02 0.00 0.00 58.31 57.05 1jzn n LYS 75 Cb 0.16 -5.32 0.07 0.00 -0.02 0.00 0.00 35.03 29.92 1jzn n LYS 75 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1jzn n ASP 76 N -2.43 1.44 -0.36 4.39 5.75 -1.26 -4.97 116.55 119.10 1jzn n ASP 76 Ca -0.02 -2.43 -0.03 0.00 -0.01 0.00 0.00 54.79 52.30 1jzn n ASP 76 Cb 0.55 -0.26 -0.01 0.00 -1.03 0.00 0.00 41.12 40.37 1jzn n ASP 76 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1jzn n PHE 77 N -0.77 -0.11 -3.76 2.11 3.01 -1.26 -5.00 117.46 111.68 1jzn n PHE 77 Ca 0.08 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.18 1jzn n PHE 77 Cb 0.58 -1.34 -0.11 0.00 -0.01 0.00 0.00 39.48 38.60 1jzn n PHE 77 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1jzn s SER 78 N -2.88 5.20 -0.05 4.37 1.04 -1.26 -5.07 113.70 115.05 1jzn s SER 78 Ca 0.00 -2.49 -0.30 0.00 0.48 0.00 0.00 55.95 53.65 1jzn s SER 78 Cb 0.00 -1.83 -0.03 0.00 0.10 0.00 0.00 66.02 64.26 1jzn s SER 78 CO 0.00 -0.44 1.14 0.26 0.98 0.00 0.00 173.24 175.18 1jzn s TRP 79 N 0.48 3.32 0.07 5.02 0.52 -1.26 -4.32 118.94 122.76 1jzn s TRP 79 Ca 0.13 1.35 0.05 0.00 0.02 0.00 0.00 56.10 57.65 1jzn s TRP 79 Cb -0.22 -3.35 -0.03 0.00 -1.15 0.00 0.00 33.47 28.73 1jzn s TRP 79 CO -0.04 -0.97 -0.15 -1.21 0.02 0.00 0.00 176.95 174.61 1jzn s GLU 80 N 1.96 0.88 0.10 4.98 2.02 -0.41 -4.80 118.70 123.43 1jzn s GLU 80 Ca 0.54 -0.93 -0.20 0.00 0.02 0.00 0.00 54.97 54.40 1jzn s GLU 80 Cb -0.23 -0.92 -0.07 0.00 0.10 0.00 0.00 34.13 33.01 1jzn s GLU 80 CO 0.22 0.21 0.60 -1.58 0.02 0.00 0.00 175.26 174.74 1jzn s TRP 81 N -1.16 3.80 0.20 1.61 0.52 -1.26 -1.96 118.94 120.69 1jzn s TRP 81 Ca -0.00 1.31 0.35 0.00 0.02 0.00 0.00 56.10 57.78 1jzn s TRP 81 Cb -0.09 -2.53 1.68 0.00 -1.15 0.00 0.00 33.47 31.37 1jzn s TRP 81 CO 0.02 0.56 2.06 1.79 0.02 0.00 0.00 176.95 181.40 1jzn h THR 82 N 3.41 0.00 -0.10 2.01 1.35 -1.55 -1.58 112.91 116.46 1jzn h THR 82 Ca -0.49 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1jzn h THR 82 Cb 1.21 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1jzn h THR 82 CO 0.64 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.01 1jzn n ASP 83 N -2.91 1.28 -0.73 5.36 5.75 -1.26 -4.91 116.55 119.12 1jzn n ASP 83 Ca -0.01 -1.57 -0.09 0.00 -0.01 0.00 0.00 54.79 53.10 1jzn n ASP 83 Cb 0.19 -0.06 -0.04 0.00 -1.03 0.00 0.00 41.12 40.18 1jzn n ASP 83 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1jzn n ARG 84 N 0.04 -1.08 -1.85 0.11 1.74 -0.59 -5.00 116.66 110.02 1jzn n ARG 84 Ca 0.17 0.78 -0.29 0.00 -0.77 0.00 0.00 57.85 57.74 1jzn n ARG 84 Cb 0.28 -4.84 0.09 0.00 -1.02 0.00 0.00 32.46 26.97 1jzn n ARG 84 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1jzn s SER 85 N -2.58 4.57 0.30 0.55 1.04 -1.26 -5.01 113.70 111.30 1jzn s SER 85 Ca 0.00 0.87 -0.29 0.00 0.48 0.00 0.00 55.95 57.02 1jzn s SER 85 Cb 0.00 -1.43 -0.09 0.00 0.10 0.00 0.00 66.02 64.59 1jzn s SER 85 CO 0.00 -1.87 1.11 0.00 0.98 0.00 0.00 173.24 173.45 1jzn s THR 87 N -1.23 4.86 -0.16 0.00 2.01 -1.26 -4.66 115.64 115.20 1jzn s THR 87 Ca 0.47 -2.24 0.17 0.00 0.31 0.00 0.00 61.69 60.40 1jzn s THR 87 Cb -0.31 -4.90 0.35 0.00 0.01 0.00 0.00 72.50 67.65 1jzn s THR 87 CO 0.40 -1.62 1.20 -0.90 -0.69 0.00 0.00 174.62 173.01 1jzn n ASP 88 N 6.17 2.37 -3.64 3.53 3.85 -1.26 -5.00 116.55 122.57 1jzn n ASP 88 Ca 0.34 -3.27 -0.09 0.00 -0.71 0.00 0.00 54.79 51.05 1jzn n ASP 88 Cb 0.45 -0.47 -0.07 0.00 -1.35 0.00 0.00 41.12 39.68 1jzn n ASP 88 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 1jzn s TYR 89 N -2.96 -0.89 -0.05 2.11 5.04 -1.26 -4.98 117.35 114.35 1jzn s TYR 89 Ca 0.35 1.90 -0.05 0.00 -2.44 0.00 0.00 57.07 56.83 1jzn s TYR 89 Cb 0.31 0.47 0.01 0.00 0.35 0.00 0.00 41.96 43.11 1jzn s TYR 89 CO 0.01 -0.44 0.14 -0.51 -1.34 0.00 0.00 175.55 173.42 1jzn s LEU 90 N 1.11 1.48 -0.41 6.97 1.43 -1.26 -4.90 118.68 123.10 1jzn s LEU 90 Ca -0.06 0.28 0.08 0.00 -1.03 0.00 0.00 54.13 53.39 1jzn s LEU 90 Cb -0.05 0.47 0.25 0.00 0.03 0.00 0.00 46.19 46.89 1jzn s LEU 90 CO -0.12 -0.05 0.59 1.07 0.23 0.00 0.00 176.35 178.07 1jzn n THR 91 N 3.01 -0.57 -2.38 5.49 5.66 -1.26 -5.12 114.28 119.12 1jzn n THR 91 Ca -0.12 -3.53 -0.35 0.00 -3.05 0.00 0.00 64.05 56.99 1jzn n THR 91 Cb 0.59 -1.30 -0.02 0.00 -1.55 0.00 0.00 70.33 68.06 1jzn n THR 91 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1jzn s TRP 92 N -0.82 2.86 0.99 1.09 0.52 -1.26 -1.18 118.94 121.13 1jzn s TRP 92 Ca 0.34 1.56 -0.15 0.00 0.02 0.00 0.00 56.10 57.88 1jzn s TRP 92 Cb 0.18 -3.22 0.19 0.00 -1.15 0.00 0.00 33.47 29.47 1jzn s TRP 92 CO -0.14 -1.24 1.16 0.34 0.02 0.00 0.00 176.95 177.09 1jzn s ASP 93 N -1.75 2.82 -0.06 2.95 -1.08 0.21 -4.60 116.67 115.16 1jzn s ASP 93 Ca 0.68 0.77 -0.37 0.00 -0.52 0.00 0.00 52.55 53.11 1jzn s ASP 93 Cb -0.22 -1.17 -0.15 0.00 -1.46 0.00 0.00 42.92 39.92 1jzn s ASP 93 CO 0.26 -2.96 1.62 1.17 0.52 0.00 0.00 175.17 175.78 1jzn n LYS 94 N -4.01 1.53 -2.34 4.34 4.81 -1.26 -1.80 118.16 119.44 1jzn n LYS 94 Ca 0.10 0.56 -0.18 0.00 -0.87 0.00 0.00 58.31 57.91 1jzn n LYS 94 Cb 0.59 -2.27 -0.01 0.00 0.02 0.00 0.00 35.03 33.36 1jzn n LYS 94 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1jzn n ASN 95 N 4.43 -5.20 -4.34 3.14 5.03 -1.26 -5.01 115.26 112.06 1jzn n ASN 95 Ca 0.22 -0.02 -0.23 0.00 0.87 0.00 0.00 54.58 55.43 1jzn n ASN 95 Cb 0.21 -4.27 -0.11 0.00 -1.02 0.00 0.00 39.78 34.58 1jzn n ASN 95 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1jzn s GLN 96 N -4.88 1.29 0.38 3.52 -1.52 -0.74 -4.19 119.66 113.51 1jzn s GLN 96 Ca 0.00 -1.40 -0.17 0.00 -1.95 0.00 0.00 55.36 51.84 1jzn s GLN 96 Cb 0.00 -1.40 -0.09 0.00 -0.22 0.00 0.00 33.01 31.30 1jzn s GLN 96 CO 0.00 0.29 0.83 -1.25 -0.25 0.00 0.00 175.29 174.91 1jzn s PRO 97 N -2.70 4.05 0.00 2.91 0.04 -1.26 -4.64 135.00 133.39 1jzn s PRO 97 Ca 0.15 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1jzn s PRO 97 Cb -0.06 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1jzn s PRO 97 CO 0.07 0.04 0.30 -0.40 0.04 0.00 0.00 177.00 177.04 1jzn n ASP 98 N -0.66 0.59 -3.88 6.66 5.75 -1.26 -5.02 116.55 118.73 1jzn n ASP 98 Ca 0.05 -0.83 -0.25 0.00 -0.01 0.00 0.00 54.79 53.75 1jzn n ASP 98 Cb 0.54 0.25 -0.01 0.00 -1.03 0.00 0.00 41.12 40.88 1jzn n ASP 98 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1jzn n HIS 99 N -0.25 -1.72 -1.66 2.11 8.25 -1.26 -4.72 115.22 115.96 1jzn n HIS 99 Ca 0.00 0.74 -0.55 0.00 -0.26 0.00 0.00 57.72 57.64 1jzn n HIS 99 Cb 0.03 -3.84 -0.07 0.00 1.12 0.00 0.00 29.99 27.23 1jzn n HIS 99 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1jzn n TYR 100 N -4.36 2.04 -1.77 4.41 -0.00 -1.26 -0.01 117.16 116.20 1jzn n TYR 100 Ca -0.29 0.40 -0.15 0.00 -0.00 0.00 0.00 57.90 57.86 1jzn n TYR 100 Cb 0.68 -2.51 -0.05 0.00 -0.00 0.00 0.00 39.34 37.46 1jzn n TYR 100 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 1jzn n GLN 101 N 6.06 -1.57 -3.85 2.98 6.02 -1.26 -1.81 117.38 123.95 1jzn n GLN 101 Ca 0.28 0.85 -0.28 0.00 -0.01 0.00 0.00 57.00 57.85 1jzn n GLN 101 Cb 0.17 -5.25 0.03 0.00 1.02 0.00 0.00 30.24 26.21 1jzn n GLN 101 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1jzn n ASN 102 N -1.13 -4.31 0.00 1.08 4.05 0.99 -4.88 115.26 111.06 1jzn n ASN 102 Ca -0.16 -0.77 0.00 0.00 0.45 0.00 0.00 54.58 54.10 1jzn n ASN 102 Cb 0.55 -4.01 0.00 0.00 1.23 0.00 0.00 39.78 37.55 1jzn n ASN 102 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 1jzn n LYS 103 N -4.65 -0.33 -3.76 1.20 2.85 -0.75 -5.03 118.16 107.70 1jzn n LYS 103 Ca -0.02 -0.39 -0.37 0.00 -1.05 0.00 0.00 58.31 56.48 1jzn n LYS 103 Cb 0.55 -0.80 -0.13 0.00 -0.65 0.00 0.00 35.03 34.01 1jzn n LYS 103 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1jzn s GLU 104 N -0.07 3.08 0.00 -1.58 2.02 -1.26 -4.33 118.70 116.56 1jzn s GLU 104 Ca 0.00 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.12 1jzn s GLU 104 Cb 0.00 -3.37 0.00 0.00 0.10 0.00 0.00 34.13 30.86 1jzn s GLU 104 CO 0.00 -0.45 0.63 1.19 0.02 0.00 0.00 175.26 176.65 1jzn n PHE 105 N 4.86 0.00 -4.63 1.61 3.01 -1.03 -4.57 117.46 116.71 1jzn n PHE 105 Ca -0.14 -0.14 -0.27 0.00 1.01 0.00 0.00 57.45 57.91 1jzn n PHE 105 Cb 0.48 -0.01 -0.14 0.00 -0.01 0.00 0.00 39.48 39.80 1jzn n PHE 105 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jzn s VAL 107 N -0.88 4.45 0.11 0.00 1.01 -0.68 0.11 120.40 124.52 1jzn s VAL 107 Ca 0.09 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1jzn s VAL 107 Cb -0.09 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1jzn s VAL 107 CO 0.03 0.56 -0.15 -1.83 0.00 0.00 0.00 175.10 173.71 1jzn s GLU 108 N -0.47 0.99 0.14 2.72 -1.05 -0.53 -1.91 118.70 118.59 1jzn s GLU 108 Ca 0.09 -1.18 -0.28 0.00 -0.15 0.00 0.00 54.97 53.45 1jzn s GLU 108 Cb -0.12 -0.93 -0.07 0.00 -0.44 0.00 0.00 34.13 32.57 1jzn s GLU 108 CO 0.02 0.19 0.88 -0.51 0.95 0.00 0.00 175.26 176.79 1jzn s LEU 109 N -2.28 4.55 -0.35 1.83 1.43 0.10 -1.63 118.68 122.34 1jzn s LEU 109 Ca 0.07 1.74 -0.20 0.00 -1.03 0.00 0.00 54.13 54.71 1jzn s LEU 109 Cb -0.06 -3.47 -0.00 0.00 0.03 0.00 0.00 46.19 42.69 1jzn s LEU 109 CO 0.03 0.06 0.61 -0.69 0.23 0.00 0.00 176.35 176.59 1jzn s VAL 110 N -0.54 4.92 0.26 -1.59 1.01 -0.55 -2.07 120.40 121.84 1jzn s VAL 110 Ca 0.42 0.58 -0.02 0.00 0.00 0.00 0.00 61.98 62.96 1jzn s VAL 110 Cb -0.23 -4.04 0.24 0.00 0.00 0.00 0.00 36.38 32.34 1jzn s VAL 110 CO 0.28 -0.27 1.76 -1.28 0.00 0.00 0.00 175.10 175.60 1jzn h SER 111 N 8.42 0.51 0.21 3.32 0.87 -1.85 -0.11 113.55 124.92 1jzn h SER 111 Ca -0.27 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1jzn h SER 111 Cb 1.11 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1jzn h SER 111 CO 0.82 0.22 -0.02 -0.07 -0.53 0.00 0.00 176.83 177.25 1jzn h LEU 112 N 0.61 0.00 -3.39 2.23 3.38 -1.92 -1.41 115.31 114.81 1jzn h LEU 112 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1jzn h LEU 112 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1jzn h LEU 112 CO -0.36 0.02 0.00 0.35 0.09 0.00 0.00 178.44 178.54 1jzn n THR 113 N -3.27 2.56 -2.03 0.22 -2.24 -0.16 -4.89 114.28 104.47 1jzn n THR 113 Ca -0.02 -1.31 -0.15 0.00 -2.27 0.00 0.00 64.05 60.30 1jzn n THR 113 Cb 0.13 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.07 1jzn n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jzn n GLY 114 N 0.62 0.29 2.33 3.38 0.00 -0.53 -2.25 105.19 109.05 1jzn n GLY 114 Ca 0.26 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 1jzn n GLY 114 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jzn n TYR 115 N -3.57 -0.82 -0.09 1.61 4.02 -0.54 -4.70 117.16 113.06 1jzn n TYR 115 Ca -0.17 0.02 -0.16 0.00 -0.01 0.00 0.00 57.90 57.57 1jzn n TYR 115 Cb 0.59 -3.40 -0.13 0.00 -0.02 0.00 0.00 39.34 36.38 1jzn n TYR 115 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1jzn n ARG 116 N -2.63 0.68 -4.16 -0.72 1.74 -0.95 -4.37 116.66 106.24 1jzn n ARG 116 Ca -0.19 0.15 -0.24 0.00 -0.77 0.00 0.00 57.85 56.80 1jzn n ARG 116 Cb 0.65 -1.57 -0.06 0.00 -1.02 0.00 0.00 32.46 30.46 1jzn n ARG 116 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jzn s LEU 117 N -6.37 3.58 0.17 0.55 1.43 -1.26 -4.97 118.68 111.81 1jzn s LEU 117 Ca -0.25 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 52.55 1jzn s LEU 117 Cb 0.08 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 1jzn s LEU 117 CO 0.69 0.02 0.22 0.26 0.23 0.00 0.00 176.35 177.77 1jzn s TRP 118 N -2.02 3.30 -0.05 0.29 0.51 -0.32 -1.49 118.94 119.15 1jzn s TRP 118 Ca 0.31 0.02 -0.04 0.00 -2.12 0.00 0.00 56.10 54.27 1jzn s TRP 118 Cb -0.08 -1.56 0.02 0.00 -0.81 0.00 0.00 33.47 31.03 1jzn s TRP 118 CO 0.22 0.51 0.14 1.21 -0.51 0.00 0.00 176.95 178.52 1jzn s ASN 119 N -3.30 -0.14 0.04 2.95 2.47 -0.64 -0.62 114.94 115.69 1jzn s ASN 119 Ca 0.33 0.28 -0.25 0.00 0.42 0.00 0.00 52.86 53.63 1jzn s ASN 119 Cb -0.10 0.26 -0.05 0.00 -1.45 0.00 0.00 41.25 39.90 1jzn s ASN 119 CO 0.26 -0.07 0.79 1.51 -3.72 0.00 0.00 177.10 175.86 1jzn s ASP 120 N 0.34 7.22 0.11 -4.21 -4.77 -1.26 -1.45 116.67 112.65 1jzn s ASP 120 Ca -0.02 1.46 0.02 0.00 -3.30 0.00 0.00 52.55 50.72 1jzn s ASP 120 Cb -0.03 -2.48 -0.04 0.00 -1.09 0.00 0.00 42.92 39.27 1jzn s ASP 120 CO -0.01 -0.02 -0.08 -1.58 0.70 0.00 0.00 175.17 174.18 1jzn s GLN 121 N 0.08 0.89 0.00 2.11 2.00 0.29 -4.86 119.66 120.18 1jzn s GLN 121 Ca 0.40 -1.37 -0.32 0.00 -2.00 0.00 0.00 55.36 52.07 1jzn s GLN 121 Cb -0.20 -0.32 -0.11 0.00 0.80 0.00 0.00 33.01 33.18 1jzn s GLN 121 CO 0.23 0.01 1.90 0.28 -0.50 0.00 0.00 175.29 177.21 1jzn n VAL 122 N -0.08 0.61 0.20 1.34 0.31 -1.26 -2.23 118.33 117.23 1jzn n VAL 122 Ca -0.12 -0.11 0.18 0.00 -0.01 0.00 0.00 64.34 64.28 1jzn n VAL 122 Cb 0.61 -2.08 0.83 0.00 -0.91 0.00 0.00 33.84 32.29 1jzn n VAL 122 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jzn n GLU 124 N -3.63 1.18 -1.58 0.00 -0.58 -1.26 -1.34 120.64 113.44 1jzn n GLU 124 Ca 0.02 -0.45 -0.34 0.00 -0.42 0.00 0.00 57.16 55.98 1jzn n GLU 124 Cb 0.39 -1.49 0.07 0.00 -0.57 0.00 0.00 31.44 29.84 1jzn n GLU 124 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1jzn s SER 125 N -2.13 4.54 -0.24 1.62 0.01 -0.70 -4.72 113.70 112.08 1jzn s SER 125 Ca 0.39 2.25 -0.10 0.00 1.31 0.00 0.00 55.95 59.81 1jzn s SER 125 Cb 0.21 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 1jzn s SER 125 CO 0.39 -2.02 0.14 -0.54 0.41 0.00 0.00 173.24 171.61 1jzn s LYS 126 N -3.91 3.94 0.19 12.44 -0.14 -1.26 -3.78 119.74 127.22 1jzn s LYS 126 Ca 0.72 -0.33 0.01 0.00 -1.36 0.00 0.00 55.97 55.01 1jzn s LYS 126 Cb -0.27 -3.48 -0.05 0.00 -1.68 0.00 0.00 37.83 32.36 1jzn s LYS 126 CO 0.43 -0.02 0.05 -0.51 -0.76 0.00 0.00 175.35 174.54 1jzn s ASP 127 N 1.24 0.94 1.01 2.83 1.11 -0.82 -4.80 116.67 118.18 1jzn s ASP 127 Ca 0.06 -1.26 -0.17 0.00 0.18 0.00 0.00 52.55 51.36 1jzn s ASP 127 Cb -0.14 0.19 0.23 0.00 1.07 0.00 0.00 42.92 44.26 1jzn s ASP 127 CO 0.05 -0.67 1.32 0.00 1.18 0.00 0.00 175.17 177.05 1jzn n ALA 128 N -0.28 -1.60 -3.06 5.23 0.00 -0.72 -1.29 120.51 118.80 1jzn n ALA 128 Ca -0.04 -1.72 -0.11 0.00 0.00 0.00 0.00 53.44 51.57 1jzn n ALA 128 Cb 0.64 -0.09 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 1jzn n ALA 128 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1jzn s PHE 129 N -3.86 -0.22 -0.28 0.00 -0.71 -0.52 -0.76 117.98 111.62 1jzn s PHE 129 Ca 0.75 0.03 -0.04 0.00 -1.04 0.00 0.00 56.93 56.63 1jzn s PHE 129 Cb -0.02 0.23 0.02 0.00 -1.21 0.00 0.00 43.02 42.04 1jzn s PHE 129 CO 0.53 -0.63 0.01 -1.17 -1.34 0.00 0.00 175.22 172.61 1jzn s LEU 130 N -2.43 3.58 0.34 -1.99 0.20 -0.76 -0.34 118.68 117.28 1jzn s LEU 130 Ca -0.01 -0.88 -0.03 0.00 0.69 0.00 0.00 54.13 53.90 1jzn s LEU 130 Cb 0.01 -1.76 -0.04 0.00 -0.43 0.00 0.00 46.19 43.97 1jzn s LEU 130 CO -0.07 -0.18 0.58 0.00 -0.29 0.00 0.00 176.35 176.39 1jzn s GLN 132 N -4.06 0.68 0.05 0.00 0.74 0.54 -2.10 119.66 115.51 1jzn s GLN 132 Ca 0.43 -0.17 -0.03 0.00 0.05 0.00 0.00 55.36 55.63 1jzn s GLN 132 Cb -0.10 -0.68 -0.02 0.00 1.10 0.00 0.00 33.01 33.30 1jzn s GLN 132 CO 0.35 0.03 0.03 0.00 -0.55 0.00 0.00 175.29 175.15 1jzn s LYS 134 N -3.16 3.65 0.00 0.00 1.02 -0.94 -1.30 119.74 119.01 1jzn s LYS 134 Ca -0.00 -0.50 0.16 0.00 0.02 0.00 0.00 55.97 55.66 1jzn s LYS 134 Cb 0.02 -3.16 0.13 0.00 -0.52 0.00 0.00 37.83 34.30 1jzn s LYS 134 CO -0.07 -0.03 1.02 1.19 -0.92 0.00 0.00 175.35 176.53