#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 -5.31 6.41 2.35 -2.01 -3.48 115.58 113.54 1jzn h ASN 2 Ca 0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 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 0.32 -0.61 0.00 -1.65 0.00 0.00 177.43 175.49 1jzn s PRO 4 N -3.97 2.19 0.58 0.00 0.02 -1.26 -4.88 135.00 127.67 1jzn s PRO 4 Ca 0.15 1.58 0.28 0.00 0.02 0.00 0.00 61.00 63.03 1jzn s PRO 4 Cb 0.07 -1.86 1.56 0.00 0.02 0.00 0.00 34.50 34.29 1jzn s PRO 4 CO -0.04 -1.76 2.03 -0.07 -0.33 0.00 0.00 177.00 176.82 1jzn h LEU 5 N -0.48 0.00 -3.46 -5.54 3.38 -2.01 -1.96 115.31 105.23 1jzn h LEU 5 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1jzn h LEU 5 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1jzn h LEU 5 CO 0.50 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.13 1jzn n ASP 6 N -3.88 5.56 -4.47 -0.43 5.75 -1.26 -4.92 116.55 112.90 1jzn n ASP 6 Ca 0.04 -2.86 -0.29 0.00 -0.01 0.00 0.00 54.79 51.68 1jzn n ASP 6 Cb 0.45 -0.67 -0.11 0.00 -1.03 0.00 0.00 41.12 39.75 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 -2.63 2.48 -0.35 2.11 0.52 -0.74 -4.87 118.94 115.47 1jzn s TRP 7 Ca 0.53 -0.29 -0.19 0.00 0.02 0.00 0.00 56.10 56.17 1jzn s TRP 7 Cb 0.40 -1.30 -0.00 0.00 -1.15 0.00 0.00 33.47 31.42 1jzn s TRP 7 CO 0.17 0.40 0.58 -1.17 0.02 0.00 0.00 176.95 176.96 1jzn s LEU 8 N -2.26 4.28 -0.08 2.99 2.96 0.15 -4.79 118.68 121.92 1jzn s LEU 8 Ca 0.18 0.11 -0.30 0.00 -0.22 0.00 0.00 54.13 53.91 1jzn s LEU 8 Cb -0.10 -2.71 -0.02 0.00 0.50 0.00 0.00 46.19 43.86 1jzn s LEU 8 CO 0.10 -0.53 1.15 -2.84 -1.32 0.00 0.00 176.35 172.91 1jzn s PRO 9 N 2.57 4.36 -0.18 0.98 0.02 -1.26 -0.63 135.00 140.86 1jzn s PRO 9 Ca 0.22 1.59 -0.05 0.00 0.02 0.00 0.00 61.00 62.78 1jzn s PRO 9 Cb -0.15 -3.57 0.09 0.00 0.02 0.00 0.00 34.50 30.89 1jzn s PRO 9 CO 0.14 -0.43 0.33 1.41 -0.33 0.00 0.00 177.00 178.12 1jzn s MET 10 N 2.27 0.24 -1.33 5.54 1.75 0.61 -4.95 119.30 123.43 1jzn s MET 10 Ca 0.53 0.77 -0.16 0.00 -1.25 0.00 0.00 55.69 55.58 1jzn s MET 10 Cb -0.23 -0.07 0.02 0.00 2.84 0.00 0.00 34.83 37.39 1jzn s MET 10 CO 0.20 -0.36 0.46 0.09 -0.65 0.00 0.00 175.02 174.76 1jzn n ASN 11 N 5.36 -2.17 0.00 1.11 3.02 -1.26 -1.19 115.26 120.14 1jzn n ASN 11 Ca -0.06 -1.19 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 1jzn n ASN 11 Cb 0.50 -2.21 0.00 0.00 -0.61 0.00 0.00 39.78 37.46 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 -2.14 2.29 3.70 7.41 0.00 -1.26 -5.02 105.19 110.17 1jzn n GLY 12 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 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 2.57 -0.08 0.99 1.43 -0.33 -4.86 118.68 118.39 1jzn s LEU 13 Ca 0.00 -1.52 0.02 0.00 -1.03 0.00 0.00 54.13 51.61 1jzn s LEU 13 Cb 0.00 -0.82 0.01 0.00 0.03 0.00 0.00 46.19 45.41 1jzn s LEU 13 CO 0.00 -0.67 -0.16 0.00 0.23 0.00 0.00 176.35 175.76 1jzn s TYR 15 N 0.69 2.38 -0.18 0.00 1.51 0.20 -0.65 117.35 121.30 1jzn s TYR 15 Ca -0.13 -0.37 -0.09 0.00 -1.01 0.00 0.00 57.07 55.47 1jzn s TYR 15 Cb -0.16 -1.37 0.06 0.00 -0.11 0.00 0.00 41.96 40.38 1jzn s TYR 15 CO 0.03 0.21 0.42 0.21 -1.11 0.00 0.00 175.55 175.32 1jzn s LYS 16 N -1.51 0.40 -0.01 -0.62 2.20 -0.19 0.30 119.74 120.30 1jzn s LYS 16 Ca 0.13 0.84 -0.25 0.00 -0.36 0.00 0.00 55.97 56.33 1jzn s LYS 16 Cb -0.10 0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.20 1jzn s LYS 16 CO 0.04 -0.17 0.77 0.96 -0.36 0.00 0.00 175.35 176.59 1jzn s ILE 17 N 1.57 4.89 -0.27 5.43 -4.36 -1.26 -1.05 121.20 126.14 1jzn s ILE 17 Ca -0.09 1.61 -0.08 0.00 -0.26 0.00 0.00 60.65 61.84 1jzn s ILE 17 Cb -0.09 -4.11 -0.02 0.00 1.25 0.00 0.00 42.46 39.49 1jzn s ILE 17 CO -0.13 0.28 0.09 -0.36 0.24 0.00 0.00 174.94 175.07 1jzn s PHE 18 N 0.48 3.12 -0.97 1.37 0.40 0.94 -4.99 117.98 118.33 1jzn s PHE 18 Ca 0.40 -0.50 -0.07 0.00 -0.60 0.00 0.00 56.93 56.17 1jzn s PHE 18 Cb -0.19 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.02 1jzn s PHE 18 CO 0.22 -0.40 2.92 0.09 0.70 0.00 0.00 175.22 178.74 1jzn n ASN 19 N 4.93 7.37 -4.10 1.36 3.02 -1.26 -2.39 115.26 124.19 1jzn n ASN 19 Ca -0.15 -2.83 -0.21 0.00 -0.03 0.00 0.00 54.58 51.36 1jzn n ASN 19 Cb 0.51 -1.41 -0.15 0.00 -0.61 0.00 0.00 39.78 38.12 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 0.25 1.02 -0.22 3.52 -0.21 -1.26 -5.06 119.66 117.70 1jzn s GLN 20 Ca 0.63 -0.54 -0.20 0.00 0.02 0.00 0.00 55.36 55.26 1jzn s GLN 20 Cb 0.25 -0.99 -0.02 0.00 1.00 0.00 0.00 33.01 33.24 1jzn s GLN 20 CO -0.09 0.27 0.61 -0.51 -2.12 0.00 0.00 175.29 173.45 1jzn s LEU 21 N -0.54 4.12 0.10 2.90 1.43 -1.26 -4.05 118.68 121.39 1jzn s LEU 21 Ca 0.04 0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 53.86 1jzn s LEU 21 Cb -0.06 -2.85 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 1jzn s LEU 21 CO -0.00 -0.29 0.11 -0.54 0.23 0.00 0.00 176.35 175.86 1jzn s LYS 22 N 2.05 0.85 0.80 1.70 1.02 -0.49 -4.85 119.74 120.83 1jzn s LYS 22 Ca 0.27 -1.20 -0.11 0.00 0.02 0.00 0.00 55.97 54.94 1jzn s LYS 22 Cb -0.16 0.28 0.07 0.00 -0.52 0.00 0.00 37.83 37.51 1jzn s LYS 22 CO 0.10 -0.25 1.09 0.95 -0.92 0.00 0.00 175.35 176.32 1jzn s THR 23 N -3.95 3.13 0.19 2.17 -4.23 -1.25 -2.18 115.64 109.51 1jzn s THR 23 Ca 0.13 0.37 -0.11 0.00 -1.18 0.00 0.00 61.69 60.89 1jzn s THR 23 Cb 0.06 -3.07 0.11 0.00 1.34 0.00 0.00 72.50 70.94 1jzn s THR 23 CO -0.05 -0.48 1.76 -0.25 -0.54 0.00 0.00 174.62 175.06 1jzn h TRP 24 N -1.10 0.40 -0.60 3.99 7.01 -1.40 -0.60 115.95 123.65 1jzn h TRP 24 Ca -0.47 0.03 -0.08 0.00 2.11 0.00 0.00 58.89 60.48 1jzn h TRP 24 Cb 1.26 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 28.20 1jzn h TRP 24 CO 0.48 0.15 0.06 0.93 -2.79 0.00 0.00 178.44 177.26 1jzn h GLU 25 N 0.43 1.03 -0.36 2.65 5.08 -1.93 -1.77 114.58 119.70 1jzn h GLU 25 Ca 0.26 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1jzn h GLU 25 Cb 0.26 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1jzn h GLU 25 CO -0.24 0.98 -0.19 -0.44 -1.00 0.00 0.00 179.01 178.12 1jzn h ASP 26 N 0.93 0.68 -0.66 1.42 3.32 -1.86 -1.68 116.42 118.58 1jzn h ASP 26 Ca 0.18 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1jzn h ASP 26 Cb 0.48 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 1jzn h ASP 26 CO 0.02 0.87 0.21 0.00 -1.72 0.00 0.00 179.24 178.62 1jzn h ALA 27 N 1.19 0.86 0.20 3.45 0.00 -0.85 -0.30 119.26 123.81 1jzn h ALA 27 Ca 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1jzn h ALA 27 Cb 0.66 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1jzn h ALA 27 CO 0.05 0.53 -0.10 1.49 0.00 0.00 0.00 179.25 181.22 1jzn h GLU 28 N 0.95 -0.26 -0.48 0.00 4.22 -1.09 -2.23 114.58 115.68 1jzn h GLU 28 Ca 0.21 0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.67 1jzn h GLU 28 Cb 0.28 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1jzn h GLU 28 CO -0.01 -0.08 0.29 0.52 -2.18 0.00 0.00 179.01 177.55 1jzn h MET 29 N -0.40 0.64 -0.04 1.92 2.86 -1.21 -0.13 114.93 118.56 1jzn h MET 29 Ca -0.03 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1jzn h MET 29 Cb 0.31 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1jzn h MET 29 CO 0.05 0.45 0.02 0.35 1.06 0.00 0.00 176.91 178.83 1jzn h PHE 30 N 0.65 0.06 0.21 -0.22 3.04 -0.84 -0.19 116.94 119.66 1jzn h PHE 30 Ca 0.17 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.12 1jzn h PHE 30 Cb -0.03 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.45 1jzn h PHE 30 CO 0.00 0.14 -0.14 0.00 -2.02 0.00 0.00 178.31 176.29 1jzn h ARG 32 N -0.35 0.84 -0.00 0.00 3.08 -0.88 -0.64 114.38 116.43 1jzn h ARG 32 Ca -0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1jzn h ARG 32 Cb 0.29 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1jzn h ARG 32 CO 0.02 0.56 -0.04 1.63 -1.07 0.00 0.00 179.97 181.06 1jzn n LYS 33 N -4.70 0.72 0.24 0.04 4.76 -0.10 -4.07 118.16 115.05 1jzn n LYS 33 Ca 0.16 -0.14 -0.12 0.00 -2.87 0.00 0.00 58.31 55.34 1jzn n LYS 33 Cb 0.32 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 31.94 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 0.33 -0.61 -3.32 2.13 5.03 -0.10 -3.47 116.97 116.96 1jzn h TYR 34 Ca 0.00 -0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.21 1jzn h TYR 34 Cb 0.26 0.20 -0.16 0.00 1.55 0.00 0.00 36.73 38.58 1jzn h TYR 34 CO 0.00 -0.31 -0.20 -1.59 -1.32 0.00 0.00 178.16 174.74 1jzn s LYS 35 N -4.23 0.88 0.16 1.82 -2.85 -1.25 -5.12 119.74 109.15 1jzn s LYS 35 Ca -0.12 -0.57 -0.31 0.00 -1.00 0.00 0.00 55.97 53.96 1jzn s LYS 35 Cb 0.01 0.38 -0.11 0.00 -2.06 0.00 0.00 37.83 36.06 1jzn s LYS 35 CO 0.41 -0.30 1.77 -2.14 0.10 0.00 0.00 175.35 175.19 1jzn s PRO 36 N -2.92 4.14 0.00 1.78 0.02 -1.26 -3.42 135.00 133.33 1jzn s PRO 36 Ca -0.02 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.58 1jzn s PRO 36 Cb 0.00 -3.36 0.00 0.00 0.02 0.00 0.00 34.50 31.16 1jzn s PRO 36 CO -0.06 -0.79 0.00 0.41 -0.33 0.00 0.00 177.00 176.23 1jzn n GLY 37 N 4.10 1.21 3.61 0.52 0.00 -1.26 -4.78 105.19 108.59 1jzn n GLY 37 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.08 -0.10 0.54 0.00 3.76 -0.19 -3.81 115.29 113.41 1jzn s HIS 39 Ca 0.29 -0.39 -0.21 0.00 -0.15 0.00 0.00 55.06 54.60 1jzn s HIS 39 Cb -0.07 0.69 -0.05 0.00 1.11 0.00 0.00 32.58 34.26 1jzn s HIS 39 CO 0.18 -1.28 1.27 -0.51 -0.85 0.00 0.00 174.74 173.55 1jzn s LEU 40 N -2.95 3.83 0.47 0.89 1.43 -1.26 -0.39 118.68 120.70 1jzn s LEU 40 Ca 0.13 2.55 -0.24 0.00 -1.03 0.00 0.00 54.13 55.53 1jzn s LEU 40 Cb -0.05 -4.36 -0.07 0.00 0.03 0.00 0.00 46.19 41.73 1jzn s LEU 40 CO 0.08 -1.43 1.30 0.00 0.23 0.00 0.00 176.35 176.53 1jzn s ALA 41 N -1.44 3.05 0.13 4.21 0.00 -0.21 -4.11 121.76 123.39 1jzn s ALA 41 Ca 0.71 1.22 0.06 0.00 0.00 0.00 0.00 51.96 53.96 1jzn s ALA 41 Cb -0.35 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.23 1jzn s ALA 41 CO 0.40 -1.00 -0.01 -1.54 0.00 0.00 0.00 175.76 173.61 1jzn s SER 42 N -0.93 4.82 -0.03 0.00 1.04 -1.26 -1.04 113.70 116.30 1jzn s SER 42 Ca 0.64 -0.31 0.06 0.00 0.48 0.00 0.00 55.95 56.82 1jzn s SER 42 Cb -0.37 -1.06 -0.01 0.00 0.10 0.00 0.00 66.02 64.67 1jzn s SER 42 CO 0.46 0.13 -0.22 -0.36 0.98 0.00 0.00 173.24 174.24 1jzn s PHE 43 N -1.49 2.03 0.00 5.02 0.40 -1.26 -5.02 117.98 117.66 1jzn s PHE 43 Ca 0.26 -0.49 0.00 0.00 -0.60 0.00 0.00 56.93 56.10 1jzn s PHE 43 Cb -0.10 -1.32 0.00 0.00 0.51 0.00 0.00 43.02 42.10 1jzn s PHE 43 CO 0.18 -0.11 0.09 0.72 0.70 0.00 0.00 175.22 176.80 1jzn n HIS 44 N 2.78 0.00 -3.79 0.36 8.25 -1.26 -4.56 115.22 116.99 1jzn n HIS 44 Ca -0.17 0.00 -0.12 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 31.55 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 -0.04 0.63 0.24 -0.41 0.52 -1.26 -4.74 118.95 113.88 1jzn s ARG 45 Ca 0.00 -0.30 -0.07 0.00 -0.52 0.00 0.00 55.73 54.85 1jzn s ARG 45 Cb 0.00 0.27 0.23 0.00 0.52 0.00 0.00 34.95 35.98 1jzn s ARG 45 CO 0.00 -0.17 1.90 -0.92 0.02 0.00 0.00 175.30 176.13 1jzn h TYR 46 N 3.90 1.23 -0.39 -0.53 3.20 -1.99 -1.98 116.97 120.41 1jzn h TYR 46 Ca -0.30 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.57 1jzn h TYR 46 Cb 1.18 -0.41 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 1jzn h TYR 46 CO 0.54 0.80 0.21 0.78 -1.64 0.00 0.00 178.16 178.86 1jzn h GLY 47 N 1.31 0.57 0.99 1.82 0.00 -2.00 -2.27 103.07 103.49 1jzn h GLY 47 Ca 0.35 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 47.35 1jzn h GLY 47 CO -0.07 0.23 -0.10 0.83 0.00 0.00 0.00 176.54 177.42 1jzn h GLU 48 N 0.54 0.80 -0.28 4.80 5.08 -1.78 -1.11 114.58 122.63 1jzn h GLU 48 Ca 0.14 -0.31 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1jzn h GLU 48 Cb 0.01 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1jzn h GLU 48 CO -0.02 0.93 0.13 0.77 -1.00 0.00 0.00 179.01 179.81 1jzn h SER 49 N 0.62 0.18 -0.52 1.42 0.02 -1.14 0.13 113.55 114.26 1jzn h SER 49 Ca 0.10 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1jzn h SER 49 Cb 0.63 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1jzn h SER 49 CO 0.04 0.14 0.17 -0.07 -1.14 0.00 0.00 176.83 175.98 1jzn h LEU 50 N 0.28 0.75 -0.28 5.07 3.38 -1.27 0.14 115.31 123.37 1jzn h LEU 50 Ca 0.12 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1jzn h LEU 50 Cb 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1jzn h LEU 50 CO -0.09 0.74 0.04 -0.08 0.09 0.00 0.00 178.44 179.15 1jzn h GLU 51 N 0.71 0.46 -0.41 1.13 4.81 -0.98 -1.98 114.58 118.31 1jzn h GLU 51 Ca 0.17 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1jzn h GLU 51 Cb 0.26 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1jzn h GLU 51 CO -0.01 0.58 0.15 0.82 -0.73 0.00 0.00 179.01 179.82 1jzn h ILE 52 N 0.28 1.21 -0.49 2.32 1.08 -0.64 -1.52 117.51 119.74 1jzn h ILE 52 Ca 0.08 -0.67 0.07 0.00 -0.39 0.00 0.00 64.86 63.95 1jzn h ILE 52 Cb 0.34 0.87 -0.06 0.00 -3.07 0.00 0.00 36.82 34.91 1jzn h ILE 52 CO 0.01 0.24 0.18 0.00 -0.69 0.00 0.00 178.15 177.89 1jzn h ALA 53 N 0.99 0.61 -0.31 1.87 0.00 -0.62 0.58 119.26 122.38 1jzn h ALA 53 Ca 0.13 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1jzn h ALA 53 Cb 0.23 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1jzn h ALA 53 CO -0.01 -0.21 0.03 1.49 0.00 0.00 0.00 179.25 180.56 1jzn h GLU 54 N 0.36 0.53 -0.26 0.00 4.81 -1.21 -1.33 114.58 117.48 1jzn h GLU 54 Ca 0.24 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1jzn h GLU 54 Cb 0.24 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1jzn h GLU 54 CO -0.23 0.64 0.11 -0.92 -0.73 0.00 0.00 179.01 177.88 1jzn h TYR 55 N 0.35 0.21 -0.72 0.92 -0.00 -0.90 -0.89 116.97 115.94 1jzn h TYR 55 Ca 0.09 0.01 -0.04 0.00 -0.00 0.00 0.00 58.73 58.79 1jzn h TYR 55 Cb 0.38 -0.06 -0.03 0.00 -0.00 0.00 0.00 36.73 37.02 1jzn h TYR 55 CO 0.03 0.11 0.28 0.82 -0.00 0.00 0.00 178.16 179.40 1jzn h ILE 56 N 0.25 1.25 -0.85 1.81 2.04 -0.85 0.12 117.51 121.28 1jzn h ILE 56 Ca 0.11 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1jzn h ILE 56 Cb 0.05 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 1jzn h ILE 56 CO -0.09 0.32 0.45 0.28 0.00 0.00 0.00 178.15 179.11 1jzn h SER 57 N 1.03 1.07 0.70 1.72 0.02 -0.91 0.23 113.55 117.42 1jzn h SER 57 Ca 0.24 -0.10 -0.21 0.00 -0.84 0.00 0.00 61.79 60.88 1jzn h SER 57 Cb 0.23 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1jzn h SER 57 CO -0.02 0.87 -0.96 0.44 -1.14 0.00 0.00 176.83 176.03 1jzn h ASP 58 N 1.19 0.21 -0.33 3.07 3.32 -0.72 -3.37 116.42 119.80 1jzn h ASP 58 Ca 0.30 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1jzn h ASP 58 Cb 0.05 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1jzn h ASP 58 CO -0.05 1.05 0.00 -1.22 -1.72 0.00 0.00 179.24 177.30 1jzn n TYR 59 N -3.57 0.43 -3.49 4.55 4.02 0.36 -4.83 117.16 114.64 1jzn n TYR 59 Ca -0.03 -0.39 -0.25 0.00 -0.01 0.00 0.00 57.90 57.21 1jzn n TYR 59 Cb 0.87 -0.02 -0.13 0.00 -0.02 0.00 0.00 39.34 40.04 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 -1.02 0.11 0.52 -0.72 5.65 0.80 -4.97 115.29 115.66 1jzn s HIS 60 Ca 0.25 -0.74 -0.05 0.00 0.25 0.00 0.00 55.06 54.76 1jzn s HIS 60 Cb 0.14 -0.76 -0.02 0.00 -1.18 0.00 0.00 32.58 30.76 1jzn s HIS 60 CO 0.18 -0.86 0.83 -1.59 -0.65 0.00 0.00 174.74 172.65 1jzn s LYS 61 N 2.06 3.32 0.05 2.88 0.00 -1.26 -4.56 119.74 122.23 1jzn s LYS 61 Ca 0.10 0.13 0.00 0.00 0.00 0.00 0.00 55.97 56.20 1jzn s LYS 61 Cb -0.16 -2.34 0.00 0.00 0.00 0.00 0.00 37.83 35.33 1jzn s LYS 61 CO -0.31 -0.38 0.00 0.41 0.00 0.00 0.00 175.35 175.06 1jzn n GLY 62 N -2.38 -1.73 0.06 0.59 0.00 -1.26 -4.73 105.19 95.73 1jzn n GLY 62 Ca 0.02 -2.03 0.05 0.00 0.00 0.00 0.00 46.02 44.07 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 0.00 2.14 -2.44 1.61 6.02 -1.26 -5.03 117.38 118.42 1jzn n GLN 63 Ca 0.00 -2.07 -0.41 0.00 -0.01 0.00 0.00 57.00 54.52 1jzn n GLN 63 Cb 0.00 -1.27 -0.04 0.00 1.02 0.00 0.00 30.24 29.95 1jzn n GLN 63 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1jzn s GLU 64 N -1.96 4.58 1.01 -1.09 0.41 -1.26 -4.74 118.70 115.65 1jzn s GLU 64 Ca 0.17 1.83 -0.15 0.00 -0.41 0.00 0.00 54.97 56.41 1jzn s GLU 64 Cb 0.15 -3.21 0.20 0.00 -1.78 0.00 0.00 34.13 29.49 1jzn s GLU 64 CO 0.02 0.10 1.16 -0.80 -0.49 0.00 0.00 175.26 175.25 1jzn s ASN 65 N -0.50 2.61 -0.08 -0.19 0.01 -1.26 -4.68 114.94 110.84 1jzn s ASN 65 Ca 0.47 0.75 0.00 0.00 -0.71 0.00 0.00 52.86 53.37 1jzn s ASN 65 Cb -0.32 -1.13 0.02 0.00 0.41 0.00 0.00 41.25 40.23 1jzn s ASN 65 CO 0.40 -3.09 -0.06 -0.69 -1.51 0.00 0.00 177.10 172.15 1jzn s VAL 66 N -3.30 0.82 0.31 1.60 1.01 -0.94 -1.77 120.40 118.14 1jzn s VAL 66 Ca 0.68 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 62.17 1jzn s VAL 66 Cb -0.11 -0.85 -0.10 0.00 0.00 0.00 0.00 36.38 35.31 1jzn s VAL 66 CO 0.54 0.32 1.40 0.26 0.00 0.00 0.00 175.10 177.62 1jzn s TRP 67 N 1.45 2.92 0.34 5.22 0.23 0.13 0.34 118.94 129.58 1jzn s TRP 67 Ca -0.01 1.20 0.04 0.00 -2.03 0.00 0.00 56.10 55.30 1jzn s TRP 67 Cb -0.13 -3.82 -0.06 0.00 0.03 0.00 0.00 33.47 29.48 1jzn s TRP 67 CO -0.04 -2.45 0.06 0.96 0.96 0.00 0.00 176.95 176.43 1jzn s ILE 68 N -0.70 1.25 -1.06 2.03 -4.36 -0.92 -2.28 121.20 115.15 1jzn s ILE 68 Ca 0.54 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.93 1jzn s ILE 68 Cb -0.42 -2.79 0.00 0.00 1.25 0.00 0.00 42.46 40.50 1jzn s ILE 68 CO 0.52 0.00 0.48 0.61 0.24 0.00 0.00 174.94 176.79 1jzn n GLY 69 N -0.73 1.23 3.78 6.27 0.00 -0.21 -4.58 105.19 110.95 1jzn n GLY 69 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.06 4.34 0.03 0.99 2.96 -1.26 -1.06 118.68 124.62 1jzn s LEU 70 Ca 0.00 0.70 -0.19 0.00 -0.22 0.00 0.00 54.13 54.42 1jzn s LEU 70 Cb 0.00 -2.46 0.04 0.00 0.50 0.00 0.00 46.19 44.27 1jzn s LEU 70 CO 0.00 0.19 0.42 -0.60 -1.32 0.00 0.00 176.35 175.04 1jzn s ARG 71 N -0.17 0.90 -0.81 1.98 3.52 -0.56 -1.65 118.95 122.17 1jzn s ARG 71 Ca 0.20 -0.30 0.02 0.00 -0.13 0.00 0.00 55.73 55.52 1jzn s ARG 71 Cb -0.14 0.40 0.23 0.00 -1.56 0.00 0.00 34.95 33.88 1jzn s ARG 71 CO 0.08 -0.30 0.78 -3.47 -0.81 0.00 0.00 175.30 171.58 1jzn n ASP 72 N 0.62 4.06 -0.28 -2.12 2.03 0.02 -1.00 116.55 119.89 1jzn n ASP 72 Ca -0.19 -3.26 -0.00 0.00 0.52 0.00 0.00 54.79 51.86 1jzn n ASP 72 Cb 0.59 -0.91 0.20 0.00 -0.72 0.00 0.00 41.12 40.28 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 5.34 1.11 0.00 -0.67 3.64 -1.84 -2.23 116.57 121.92 1jzn h LYS 73 Ca 0.17 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1jzn h LYS 73 Cb 0.74 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1jzn h LYS 73 CO 0.87 0.74 -0.13 -0.22 -2.27 0.00 0.00 179.45 178.43 1jzn h LYS 74 N 1.14 0.00 -1.00 1.90 3.64 -1.91 -3.48 116.57 116.87 1jzn h LYS 74 Ca 0.31 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.53 1jzn h LYS 74 Cb -0.12 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1jzn h LYS 74 CO -0.07 0.13 -0.20 1.63 -2.27 0.00 0.00 179.45 178.67 1jzn n LYS 75 N -3.16 -0.64 -1.95 1.90 5.02 -0.84 -4.91 118.16 113.58 1jzn n LYS 75 Ca 0.03 0.50 -0.05 0.00 -2.02 0.00 0.00 58.31 56.77 1jzn n LYS 75 Cb 0.53 -4.43 0.06 0.00 -0.02 0.00 0.00 35.03 31.17 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 0.47 2.37 -3.61 4.39 5.75 -1.26 -4.96 116.55 119.70 1jzn n ASP 76 Ca -0.10 -2.80 -0.24 0.00 -0.01 0.00 0.00 54.79 51.65 1jzn n ASP 76 Cb 0.50 -0.41 0.08 0.00 -1.03 0.00 0.00 41.12 40.26 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 -0.48 -2.85 -3.62 2.11 3.01 -1.26 -4.96 117.46 109.41 1jzn n PHE 77 Ca 0.19 1.01 -0.39 0.00 1.01 0.00 0.00 57.45 59.27 1jzn n PHE 77 Cb 0.90 -5.00 -0.08 0.00 -0.01 0.00 0.00 39.48 35.30 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 -3.35 5.64 -0.11 4.37 1.04 -1.26 -5.05 113.70 114.99 1jzn s SER 78 Ca 0.58 -2.92 -0.30 0.00 0.48 0.00 0.00 55.95 53.80 1jzn s SER 78 Cb -0.26 -1.94 -0.02 0.00 0.10 0.00 0.00 66.02 63.90 1jzn s SER 78 CO 0.73 -0.39 1.19 0.26 0.98 0.00 0.00 173.24 176.01 1jzn s TRP 79 N -0.16 3.11 0.04 5.02 0.52 -1.26 -4.33 118.94 121.88 1jzn s TRP 79 Ca 0.18 1.20 0.04 0.00 0.02 0.00 0.00 56.10 57.54 1jzn s TRP 79 Cb -0.17 -3.42 -0.02 0.00 -1.15 0.00 0.00 33.47 28.71 1jzn s TRP 79 CO -0.05 -1.29 -0.12 -1.21 0.02 0.00 0.00 176.95 174.30 1jzn s GLU 80 N 2.72 0.81 0.17 4.98 2.02 -0.17 -4.81 118.70 124.42 1jzn s GLU 80 Ca 0.54 -0.75 -0.21 0.00 0.02 0.00 0.00 54.97 54.56 1jzn s GLU 80 Cb -0.22 -0.78 -0.08 0.00 0.10 0.00 0.00 34.13 33.15 1jzn s GLU 80 CO 0.18 0.19 0.70 -1.58 0.02 0.00 0.00 175.26 174.76 1jzn s TRP 81 N -0.96 3.76 0.40 1.61 0.52 -1.26 -1.49 118.94 121.52 1jzn s TRP 81 Ca -0.01 1.43 0.21 0.00 0.02 0.00 0.00 56.10 57.75 1jzn s TRP 81 Cb -0.08 -2.63 1.16 0.00 -1.15 0.00 0.00 33.47 30.76 1jzn s TRP 81 CO 0.01 0.45 1.98 1.79 0.02 0.00 0.00 176.95 181.20 1jzn h THR 82 N 3.08 0.85 -0.06 2.01 1.35 -1.41 -1.63 112.91 117.11 1jzn h THR 82 Ca -0.48 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 1jzn h THR 82 Cb 1.20 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1jzn h THR 82 CO 0.65 0.19 0.00 -0.90 -0.25 0.00 0.00 175.52 175.21 1jzn n ASP 83 N -3.88 0.37 0.00 5.36 3.85 -1.26 -4.89 116.55 116.10 1jzn n ASP 83 Ca -0.02 -1.82 0.00 0.00 -0.71 0.00 0.00 54.79 52.24 1jzn n ASP 83 Cb 0.29 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 40.02 1jzn n ASP 83 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1jzn n ARG 84 N -0.38 -1.79 -1.09 0.11 1.74 -0.61 -4.98 116.66 109.65 1jzn n ARG 84 Ca 0.07 0.45 -0.29 0.00 -0.77 0.00 0.00 57.85 57.30 1jzn n ARG 84 Cb 0.08 -4.80 0.16 0.00 -1.02 0.00 0.00 32.46 26.88 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 -2.00 2.96 0.35 0.55 1.04 -1.26 -4.97 113.70 110.36 1jzn s SER 85 Ca 0.00 1.47 -0.26 0.00 0.48 0.00 0.00 55.95 57.64 1jzn s SER 85 Cb 0.00 -2.14 -0.09 0.00 0.10 0.00 0.00 66.02 63.89 1jzn s SER 85 CO 0.00 -2.96 1.05 0.00 0.98 0.00 0.00 173.24 172.31 1jzn s THR 87 N -1.48 4.44 -0.08 0.00 2.01 -1.26 -4.69 115.64 114.58 1jzn s THR 87 Ca 0.52 -1.17 0.11 0.00 0.31 0.00 0.00 61.69 61.47 1jzn s THR 87 Cb -0.25 -4.85 0.17 0.00 0.01 0.00 0.00 72.50 67.59 1jzn s THR 87 CO 0.31 -1.62 1.07 -0.90 -0.69 0.00 0.00 174.62 172.79 1jzn n ASP 88 N 7.37 1.61 -3.64 3.53 3.85 -1.26 -5.01 116.55 123.00 1jzn n ASP 88 Ca 0.23 -2.60 -0.07 0.00 -0.71 0.00 0.00 54.79 51.63 1jzn n ASP 88 Cb 0.49 -0.31 -0.07 0.00 -1.35 0.00 0.00 41.12 39.89 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 -1.82 -0.94 0.02 2.11 5.04 -1.26 -4.99 117.35 115.51 1jzn s TYR 89 Ca 0.19 1.93 0.01 0.00 -2.44 0.00 0.00 57.07 56.76 1jzn s TYR 89 Cb 0.17 0.55 -0.02 0.00 0.35 0.00 0.00 41.96 43.01 1jzn s TYR 89 CO 0.02 -0.47 -0.06 -0.51 -1.34 0.00 0.00 175.55 173.20 1jzn s LEU 90 N 1.42 2.17 -0.43 6.97 1.43 -1.26 -4.87 118.68 124.11 1jzn s LEU 90 Ca -0.08 -0.38 0.08 0.00 -1.03 0.00 0.00 54.13 52.71 1jzn s LEU 90 Cb -0.05 -0.12 0.28 0.00 0.03 0.00 0.00 46.19 46.33 1jzn s LEU 90 CO -0.17 -0.14 0.79 1.07 0.23 0.00 0.00 176.35 178.14 1jzn n THR 91 N 1.99 -0.25 -2.20 5.49 5.66 -1.26 -5.11 114.28 118.61 1jzn n THR 91 Ca -0.20 -2.90 -0.35 0.00 -3.05 0.00 0.00 64.05 57.55 1jzn n THR 91 Cb 0.56 0.09 0.01 0.00 -1.55 0.00 0.00 70.33 69.44 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 -0.61 2.61 0.83 1.09 0.52 -1.26 -1.12 118.94 121.00 1jzn s TRP 92 Ca 0.33 1.53 -0.12 0.00 0.02 0.00 0.00 56.10 57.86 1jzn s TRP 92 Cb 0.25 -3.35 0.09 0.00 -1.15 0.00 0.00 33.47 29.31 1jzn s TRP 92 CO -0.13 -1.74 1.16 0.34 0.02 0.00 0.00 176.95 176.60 1jzn s ASP 93 N -1.70 4.31 0.00 2.95 -1.08 0.12 -4.60 116.67 116.67 1jzn s ASP 93 Ca 0.73 0.86 -0.37 0.00 -0.52 0.00 0.00 52.55 53.26 1jzn s ASP 93 Cb -0.26 -1.40 -0.15 0.00 -1.46 0.00 0.00 42.92 39.64 1jzn s ASP 93 CO 0.29 -2.04 1.53 1.17 0.52 0.00 0.00 175.17 176.64 1jzn n LYS 94 N -3.42 1.44 -1.47 4.34 4.81 -1.26 -1.96 118.16 120.64 1jzn n LYS 94 Ca 0.08 0.52 -0.16 0.00 -0.87 0.00 0.00 58.31 57.88 1jzn n LYS 94 Cb 0.60 -2.22 -0.07 0.00 0.02 0.00 0.00 35.03 33.37 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 3.73 -4.88 -4.55 3.14 5.03 -1.26 -5.01 115.26 111.46 1jzn n ASN 95 Ca 0.20 0.38 -0.24 0.00 0.87 0.00 0.00 54.58 55.79 1jzn n ASN 95 Cb 0.21 -3.76 -0.09 0.00 -1.02 0.00 0.00 39.78 35.11 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 -3.35 1.99 0.49 3.52 -1.52 -0.83 -4.25 119.66 115.70 1jzn s GLN 96 Ca 0.00 -1.50 -0.12 0.00 -1.95 0.00 0.00 55.36 51.79 1jzn s GLN 96 Cb 0.00 -2.01 -0.06 0.00 -0.22 0.00 0.00 33.01 30.72 1jzn s GLN 96 CO 0.00 0.37 0.89 -1.25 -0.25 0.00 0.00 175.29 175.05 1jzn s PRO 97 N -3.35 3.78 0.00 2.91 0.04 -1.26 -4.65 135.00 132.47 1jzn s PRO 97 Ca 0.29 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1jzn s PRO 97 Cb -0.07 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1jzn s PRO 97 CO 0.16 -0.22 0.29 -0.40 0.04 0.00 0.00 177.00 176.87 1jzn n ASP 98 N -1.73 0.54 -4.08 6.66 5.68 -1.26 -5.01 116.55 117.35 1jzn n ASP 98 Ca 0.04 -1.04 -0.31 0.00 -0.50 0.00 0.00 54.79 52.99 1jzn n ASP 98 Cb 0.54 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.50 1jzn n ASP 98 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1jzn n HIS 99 N -0.02 -1.73 -1.71 2.11 8.25 -1.26 -4.68 115.22 116.18 1jzn n HIS 99 Ca 0.00 0.78 -0.60 0.00 -0.26 0.00 0.00 57.72 57.64 1jzn n HIS 99 Cb 0.14 -3.40 -0.08 0.00 1.12 0.00 0.00 29.99 27.78 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 -4.42 1.91 -1.91 4.41 -0.00 -1.26 -0.17 117.16 115.72 1jzn n TYR 100 Ca -0.12 0.70 -0.19 0.00 -0.00 0.00 0.00 57.90 58.29 1jzn n TYR 100 Cb 0.59 -2.39 -0.05 0.00 -0.00 0.00 0.00 39.34 37.49 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 4.77 -1.58 -2.29 2.98 6.02 -1.26 -2.15 117.38 123.86 1jzn n GLN 101 Ca 0.27 1.03 -0.21 0.00 -0.01 0.00 0.00 57.00 58.08 1jzn n GLN 101 Cb 0.09 -5.50 -0.02 0.00 1.02 0.00 0.00 30.24 25.82 1jzn n GLN 101 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1jzn n ASN 102 N -1.49 -5.84 0.00 1.08 3.02 0.76 -4.85 115.26 107.94 1jzn n ASN 102 Ca -0.20 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 1jzn n ASN 102 Cb 0.64 -4.89 0.00 0.00 -0.61 0.00 0.00 39.78 34.92 1jzn n ASN 102 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1jzn n LYS 103 N -2.92 0.25 -3.79 3.52 3.00 -0.92 -5.02 118.16 112.30 1jzn n LYS 103 Ca -0.24 -0.61 -0.37 0.00 -0.00 0.00 0.00 58.31 57.08 1jzn n LYS 103 Cb 0.69 -0.83 -0.13 0.00 0.00 0.00 0.00 35.03 34.76 1jzn n LYS 103 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1jzn s GLU 104 N -0.23 2.76 0.00 1.64 2.02 -1.25 -4.16 118.70 119.48 1jzn s GLU 104 Ca 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 54.97 53.91 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 -0.57 0.30 1.19 0.02 0.00 0.00 175.26 176.19 1jzn n PHE 105 N 4.80 0.00 -4.71 1.61 3.01 -1.09 -4.39 117.46 116.69 1jzn n PHE 105 Ca -0.13 -0.04 -0.30 0.00 1.01 0.00 0.00 57.45 57.98 1jzn n PHE 105 Cb 0.46 -0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.79 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 -0.90 4.83 0.08 0.00 1.01 -0.66 0.12 120.40 124.89 1jzn s VAL 107 Ca 0.14 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1jzn s VAL 107 Cb -0.10 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 1jzn s VAL 107 CO 0.04 0.49 -0.09 -1.83 0.00 0.00 0.00 175.10 173.72 1jzn s GLU 108 N -1.31 0.76 0.01 2.72 -1.05 -0.52 -2.17 118.70 117.13 1jzn s GLU 108 Ca 0.18 -1.08 -0.25 0.00 -0.15 0.00 0.00 54.97 53.68 1jzn s GLU 108 Cb -0.12 -0.41 -0.05 0.00 -0.44 0.00 0.00 34.13 33.11 1jzn s GLU 108 CO 0.08 0.06 0.76 -0.51 0.95 0.00 0.00 175.26 176.60 1jzn s LEU 109 N -2.30 4.40 -0.38 1.83 1.43 0.15 -1.78 118.68 122.04 1jzn s LEU 109 Ca 0.02 1.38 -0.23 0.00 -1.03 0.00 0.00 54.13 54.27 1jzn s LEU 109 Cb -0.03 -3.21 0.01 0.00 0.03 0.00 0.00 46.19 42.99 1jzn s LEU 109 CO -0.01 -0.05 0.78 -0.69 0.23 0.00 0.00 176.35 176.61 1jzn s VAL 110 N 0.30 4.72 0.22 -1.59 1.01 -0.11 -2.20 120.40 122.75 1jzn s VAL 110 Ca 0.39 0.77 -0.09 0.00 0.00 0.00 0.00 61.98 63.05 1jzn s VAL 110 Cb -0.20 -4.23 0.18 0.00 0.00 0.00 0.00 36.38 32.14 1jzn s VAL 110 CO 0.22 -0.49 1.69 -1.28 0.00 0.00 0.00 175.10 175.24 1jzn h SER 111 N 8.58 -0.06 0.22 3.32 0.87 -1.85 -0.25 113.55 124.39 1jzn h SER 111 Ca -0.25 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1jzn h SER 111 Cb 1.09 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1jzn h SER 111 CO 0.92 -0.03 0.00 -0.07 -0.53 0.00 0.00 176.83 177.12 1jzn h LEU 112 N 0.23 0.00 -1.56 2.23 3.38 -1.93 0.15 115.31 117.82 1jzn h LEU 112 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1jzn h LEU 112 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1jzn h LEU 112 CO -0.45 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.43 1jzn n THR 113 N -3.06 0.34 -1.55 0.22 -2.24 -0.31 -4.89 114.28 102.80 1jzn n THR 113 Ca -0.02 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1jzn n THR 113 Cb 0.12 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 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 1.26 0.40 2.47 3.38 0.00 0.54 -3.47 105.19 109.78 1jzn n GLY 114 Ca 0.17 -0.95 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.53 -0.20 0.03 1.61 4.02 -0.26 -4.68 117.16 114.16 1jzn n TYR 115 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.69 1jzn n TYR 115 Cb 0.29 -3.16 -0.14 0.00 -0.02 0.00 0.00 39.34 36.30 1jzn n TYR 115 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jzn h ARG 116 N 0.00 0.28 -6.27 -0.72 3.08 -1.74 -3.39 114.38 105.63 1jzn h ARG 116 Ca -0.38 -0.48 -0.57 0.00 0.07 0.00 0.00 59.98 58.62 1jzn h ARG 116 Cb 1.20 0.18 -0.09 0.00 0.08 0.00 0.00 29.97 31.33 1jzn h ARG 116 CO 0.53 1.17 -0.63 -0.51 -1.07 0.00 0.00 179.97 179.46 1jzn s LEU 117 N -7.03 3.38 0.15 3.04 1.43 -1.26 -4.96 118.68 113.43 1jzn s LEU 117 Ca -0.17 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.52 1jzn s LEU 117 Cb 0.06 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1jzn s LEU 117 CO 0.81 0.04 0.27 0.26 0.23 0.00 0.00 176.35 177.96 1jzn s TRP 118 N -1.98 3.44 -0.09 0.29 0.51 -0.27 -0.93 118.94 119.91 1jzn s TRP 118 Ca 0.30 0.10 -0.08 0.00 -2.12 0.00 0.00 56.10 54.30 1jzn s TRP 118 Cb -0.08 -1.64 0.02 0.00 -0.81 0.00 0.00 33.47 30.96 1jzn s TRP 118 CO 0.20 0.51 0.23 1.21 -0.51 0.00 0.00 176.95 178.60 1jzn s ASN 119 N -3.25 -0.24 0.10 2.95 2.47 -0.73 0.10 114.94 116.35 1jzn s ASN 119 Ca 0.34 0.46 -0.25 0.00 0.42 0.00 0.00 52.86 53.83 1jzn s ASN 119 Cb -0.11 0.46 -0.07 0.00 -1.45 0.00 0.00 41.25 40.08 1jzn s ASN 119 CO 0.28 -0.09 0.77 1.51 -3.72 0.00 0.00 177.10 175.86 1jzn s ASP 120 N 0.25 7.30 0.14 -4.21 -4.77 -1.26 -1.44 116.67 112.68 1jzn s ASP 120 Ca -0.01 1.55 0.01 0.00 -3.30 0.00 0.00 52.55 50.80 1jzn s ASP 120 Cb -0.03 -2.49 -0.04 0.00 -1.09 0.00 0.00 42.92 39.28 1jzn s ASP 120 CO -0.01 0.10 -0.02 -1.58 0.70 0.00 0.00 175.17 174.37 1jzn s GLN 121 N -0.56 0.97 0.12 2.11 2.00 0.33 -4.86 119.66 119.78 1jzn s GLN 121 Ca 0.37 -1.44 -0.31 0.00 -2.00 0.00 0.00 55.36 51.98 1jzn s GLN 121 Cb -0.22 -0.17 -0.11 0.00 0.80 0.00 0.00 33.01 33.31 1jzn s GLN 121 CO 0.25 -0.10 1.82 0.28 -0.50 0.00 0.00 175.29 177.04 1jzn n VAL 122 N -0.14 0.34 0.30 1.34 0.31 -1.26 -2.59 118.33 116.62 1jzn n VAL 122 Ca -0.09 -0.06 0.15 0.00 -0.01 0.00 0.00 64.34 64.33 1jzn n VAL 122 Cb 0.62 -2.09 0.90 0.00 -0.91 0.00 0.00 33.84 32.37 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 -3.87 1.24 -1.50 0.00 -0.58 -1.26 -1.44 120.64 113.23 1jzn n GLU 124 Ca -0.03 -0.35 -0.32 0.00 -0.42 0.00 0.00 57.16 56.04 1jzn n GLU 124 Cb 0.08 -1.46 0.07 0.00 -0.57 0.00 0.00 31.44 29.56 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 -1.93 4.81 -0.25 1.62 0.01 -0.76 -4.74 113.70 112.46 1jzn s SER 125 Ca 0.42 1.90 -0.09 0.00 1.31 0.00 0.00 55.95 59.49 1jzn s SER 125 Cb 0.20 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 1jzn s SER 125 CO 0.34 -1.83 0.11 -0.54 0.41 0.00 0.00 173.24 171.73 1jzn s LYS 126 N -4.54 3.84 0.23 12.44 -0.14 -1.26 -3.95 119.74 126.35 1jzn s LYS 126 Ca 0.64 -0.39 0.02 0.00 -1.36 0.00 0.00 55.97 54.88 1jzn s LYS 126 Cb -0.19 -3.43 -0.05 0.00 -1.68 0.00 0.00 37.83 32.48 1jzn s LYS 126 CO 0.49 -0.09 0.04 -0.51 -0.76 0.00 0.00 175.35 174.53 1jzn s ASP 127 N 1.40 1.39 0.98 2.83 1.01 -0.93 -4.82 116.67 118.53 1jzn s ASP 127 Ca 0.06 -1.28 -0.16 0.00 0.71 0.00 0.00 52.55 51.88 1jzn s ASP 127 Cb -0.15 0.10 0.21 0.00 1.01 0.00 0.00 42.92 44.09 1jzn s ASP 127 CO 0.06 -0.62 1.33 0.00 0.21 0.00 0.00 175.17 176.14 1jzn s ALA 128 N -3.63 2.18 0.05 5.23 0.00 -0.73 -1.40 121.76 123.47 1jzn s ALA 128 Ca 0.31 -1.24 -0.12 0.00 0.00 0.00 0.00 51.96 50.92 1jzn s ALA 128 Cb 0.07 -2.77 0.01 0.00 0.00 0.00 0.00 23.12 20.43 1jzn s ALA 128 CO 0.09 -2.51 0.26 -0.59 0.00 0.00 0.00 175.76 173.01 1jzn s PHE 129 N -3.90 -0.03 -0.34 0.00 -0.71 -1.00 -0.69 117.98 111.30 1jzn s PHE 129 Ca 0.75 -0.17 -0.07 0.00 -1.04 0.00 0.00 56.93 56.40 1jzn s PHE 129 Cb -0.03 0.04 0.04 0.00 -1.21 0.00 0.00 43.02 41.86 1jzn s PHE 129 CO 0.53 -0.48 0.12 -1.17 -1.34 0.00 0.00 175.22 172.88 1jzn s LEU 130 N -2.15 4.38 0.25 -1.99 0.20 -0.97 -0.04 118.68 118.36 1jzn s LEU 130 Ca -0.04 -1.14 -0.08 0.00 0.69 0.00 0.00 54.13 53.56 1jzn s LEU 130 Cb -0.00 -1.88 -0.06 0.00 -0.43 0.00 0.00 46.19 43.81 1jzn s LEU 130 CO -0.04 -0.34 0.55 0.00 -0.29 0.00 0.00 176.35 176.23 1jzn s GLN 132 N -3.13 1.30 0.06 0.00 0.74 0.48 -1.02 119.66 118.10 1jzn s GLN 132 Ca 0.46 -0.26 0.01 0.00 0.05 0.00 0.00 55.36 55.61 1jzn s GLN 132 Cb -0.11 -1.18 -0.04 0.00 1.10 0.00 0.00 33.01 32.79 1jzn s GLN 132 CO 0.25 -0.05 -0.05 0.00 -0.55 0.00 0.00 175.29 174.89 1jzn s LYS 134 N -3.17 3.61 0.00 0.00 1.02 -1.18 -1.54 119.74 118.49 1jzn s LYS 134 Ca 0.03 -0.51 0.18 0.00 0.02 0.00 0.00 55.97 55.69 1jzn s LYS 134 Cb 0.02 -3.20 0.14 0.00 -0.52 0.00 0.00 37.83 34.27 1jzn s LYS 134 CO -0.05 -0.11 1.08 1.19 -0.92 0.00 0.00 175.35 176.53