#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbz h GLU 5 N 0.00 0.29 0.00 1.61 4.81 -1.91 0.86 114.58 120.24 1jbz h GLU 5 Ca 0.00 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1jbz h GLU 5 Cb 0.00 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1jbz h GLU 5 CO 0.00 0.19 -0.11 0.93 -0.73 0.00 0.00 179.01 179.29 1jbz h GLU 6 N 0.30 0.00 0.00 1.92 3.07 -1.99 -1.23 114.58 116.64 1jbz h GLU 6 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1jbz h GLU 6 Cb 0.80 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1jbz h GLU 6 CO -0.07 0.11 0.00 -0.07 -1.40 0.00 0.00 179.01 177.57 1jbz h LEU 7 N 0.00 0.00 -2.85 1.33 3.38 -1.22 -3.25 115.31 112.69 1jbz h LEU 7 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jbz h LEU 7 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1jbz h LEU 7 CO 0.01 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.03 1jbz n PHE 8 N -2.41 0.76 0.25 1.13 3.72 -0.46 -4.66 117.46 115.78 1jbz n PHE 8 Ca 0.02 -0.52 0.12 0.00 -0.05 0.00 0.00 57.45 57.02 1jbz n PHE 8 Cb 0.27 -0.03 0.65 0.00 -0.94 0.00 0.00 39.48 39.42 1jbz n PHE 8 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1jbz h THR 9 N 3.12 0.60 -2.18 4.37 1.35 -1.65 -3.38 112.91 115.13 1jbz h THR 9 Ca 0.00 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1jbz h THR 9 Cb 0.90 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1jbz h THR 9 CO 0.02 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 1jbz n GLY 10 N -0.50 6.80 3.70 5.82 0.00 -1.26 -4.81 105.19 114.95 1jbz n GLY 10 Ca -0.01 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 1jbz n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jbz s VAL 11 N 1.04 4.91 -0.11 1.61 1.01 -1.26 -4.42 120.40 123.17 1jbz s VAL 11 Ca 0.00 1.85 0.02 0.00 0.00 0.00 0.00 61.98 63.85 1jbz s VAL 11 Cb 0.00 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 1jbz s VAL 11 CO 0.00 0.15 -0.19 -0.69 0.00 0.00 0.00 175.10 174.37 1jbz s VAL 12 N 1.20 2.53 0.57 2.92 1.01 -0.24 -4.95 120.40 123.44 1jbz s VAL 12 Ca 0.46 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 1jbz s VAL 12 Cb -0.19 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1jbz s VAL 12 CO 0.22 0.54 1.12 -2.84 0.00 0.00 0.00 175.10 174.15 1jbz s PRO 13 N 0.33 3.22 0.02 2.72 0.02 -1.26 -1.02 135.00 139.03 1jbz s PRO 13 Ca -0.15 1.52 0.03 0.00 0.02 0.00 0.00 61.00 62.43 1jbz s PRO 13 Cb -0.17 -2.00 -0.02 0.00 0.02 0.00 0.00 34.50 32.34 1jbz s PRO 13 CO 0.07 -0.94 -0.09 0.42 -0.33 0.00 0.00 177.00 176.13 1jbz s ILE 14 N -1.96 0.71 -0.01 2.83 1.01 0.33 -1.14 121.20 122.96 1jbz s ILE 14 Ca 0.71 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 60.67 1jbz s ILE 14 Cb -0.22 -0.67 -0.01 0.00 0.01 0.00 0.00 42.46 41.57 1jbz s ILE 14 CO 0.31 -0.05 -0.14 -0.76 0.00 0.00 0.00 174.94 174.30 1jbz s LEU 15 N -0.86 2.02 -0.04 2.97 1.43 -0.49 -1.66 118.68 122.04 1jbz s LEU 15 Ca -0.01 -0.26 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1jbz s LEU 15 Cb -0.06 -0.75 0.00 0.00 0.03 0.00 0.00 46.19 45.42 1jbz s LEU 15 CO 0.00 0.17 -0.11 -0.69 0.23 0.00 0.00 176.35 175.96 1jbz s VAL 16 N -0.32 0.97 -0.05 -1.59 1.01 -0.04 -1.52 120.40 118.85 1jbz s VAL 16 Ca 0.05 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1jbz s VAL 16 Cb -0.06 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.48 1jbz s VAL 16 CO -0.00 0.30 -0.04 -1.61 0.00 0.00 0.00 175.10 173.74 1jbz s GLU 17 N 0.30 0.90 -0.01 2.72 0.41 -0.52 -0.58 118.70 121.91 1jbz s GLU 17 Ca -0.06 -0.10 0.03 0.00 -0.41 0.00 0.00 54.97 54.43 1jbz s GLU 17 Cb -0.11 -0.95 -0.01 0.00 -1.78 0.00 0.00 34.13 31.29 1jbz s GLU 17 CO 0.01 -0.12 -0.11 -1.17 -0.49 0.00 0.00 175.26 173.38 1jbz s LEU 18 N 1.11 1.99 -0.13 1.80 0.20 -0.11 -0.28 118.68 123.26 1jbz s LEU 18 Ca -0.08 -0.21 0.01 0.00 0.69 0.00 0.00 54.13 54.54 1jbz s LEU 18 Cb -0.14 -0.60 -0.01 0.00 -0.43 0.00 0.00 46.19 45.02 1jbz s LEU 18 CO -0.01 0.13 -0.17 -1.81 -0.29 0.00 0.00 176.35 174.20 1jbz s ASP 19 N -0.19 3.65 0.10 3.68 1.01 -0.50 -1.18 116.67 123.24 1jbz s ASP 19 Ca 0.03 -0.44 0.04 0.00 0.71 0.00 0.00 52.55 52.89 1jbz s ASP 19 Cb -0.05 -1.54 -0.04 0.00 1.01 0.00 0.00 42.92 42.30 1jbz s ASP 19 CO -0.00 0.14 -0.10 -0.83 0.21 0.00 0.00 175.17 174.58 1jbz s GLY 20 N 0.51 0.88 -0.18 0.21 0.00 0.11 -1.19 107.32 107.65 1jbz s GLY 20 Ca -0.11 -1.22 -0.04 0.00 0.00 0.00 0.00 44.72 43.35 1jbz s GLY 20 CO 0.04 -1.30 0.24 -0.35 0.00 0.00 0.00 173.10 171.73 1jbz s ASP 21 N -2.52 1.02 -0.23 1.64 -1.08 -0.67 -1.53 116.67 113.29 1jbz s ASP 21 Ca 0.07 0.03 0.02 0.00 -0.52 0.00 0.00 52.55 52.15 1jbz s ASP 21 Cb -0.02 0.50 0.05 0.00 -1.46 0.00 0.00 42.92 41.99 1jbz s ASP 21 CO 0.00 -0.30 -0.12 -0.69 0.52 0.00 0.00 175.17 174.58 1jbz s VAL 22 N 2.36 2.02 -1.35 1.11 1.01 -0.50 0.44 120.40 125.49 1jbz s VAL 22 Ca 0.06 -1.39 -0.06 0.00 0.00 0.00 0.00 61.98 60.59 1jbz s VAL 22 Cb -0.15 -2.08 0.04 0.00 0.00 0.00 0.00 36.38 34.19 1jbz s VAL 22 CO -0.11 0.10 0.45 0.59 0.00 0.00 0.00 175.10 176.12 1jbz n ASN 23 N 4.52 -4.53 0.00 3.32 4.13 -0.28 0.08 115.26 122.49 1jbz n ASN 23 Ca -0.15 -0.27 0.00 0.00 1.68 0.00 0.00 54.58 55.84 1jbz n ASN 23 Cb 0.44 -3.73 0.00 0.00 -1.54 0.00 0.00 39.78 34.95 1jbz n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jbz n GLY 24 N -1.23 1.30 3.59 7.41 0.00 -1.26 -5.00 105.19 110.00 1jbz n GLY 24 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1jbz n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jbz s HIS 25 N -2.69 3.13 0.10 1.61 3.76 0.11 -5.03 115.29 116.28 1jbz s HIS 25 Ca 0.00 0.55 -0.10 0.00 -0.15 0.00 0.00 55.06 55.36 1jbz s HIS 25 Cb 0.00 -3.32 -0.06 0.00 1.11 0.00 0.00 32.58 30.31 1jbz s HIS 25 CO 0.00 -0.68 0.42 0.15 -0.85 0.00 0.00 174.74 173.78 1jbz s LYS 26 N 2.99 3.78 0.16 1.40 1.02 -1.26 -1.42 119.74 126.42 1jbz s LYS 26 Ca 0.30 0.21 -0.24 0.00 0.02 0.00 0.00 55.97 56.25 1jbz s LYS 26 Cb -0.14 -2.97 0.06 0.00 -0.52 0.00 0.00 37.83 34.27 1jbz s LYS 26 CO 0.16 0.54 0.81 -0.59 -0.92 0.00 0.00 175.35 175.34 1jbz s PHE 27 N -1.44 -0.27 0.06 3.18 -0.71 -0.58 -4.98 117.98 113.24 1jbz s PHE 27 Ca 0.35 -0.02 0.02 0.00 -1.04 0.00 0.00 56.93 56.23 1jbz s PHE 27 Cb -0.14 0.62 -0.03 0.00 -1.21 0.00 0.00 43.02 42.26 1jbz s PHE 27 CO 0.19 -0.88 -0.07 -1.12 -1.34 0.00 0.00 175.22 172.00 1jbz s SER 28 N -2.80 0.87 -0.00 1.98 0.01 -1.26 -0.72 113.70 111.78 1jbz s SER 28 Ca 0.08 -0.73 0.01 0.00 1.31 0.00 0.00 55.95 56.63 1jbz s SER 28 Cb -0.02 0.07 -0.00 0.00 0.21 0.00 0.00 66.02 66.27 1jbz s SER 28 CO -0.02 -0.33 -0.04 -0.69 0.41 0.00 0.00 173.24 172.57 1jbz s VAL 29 N -2.30 0.32 -0.06 3.43 1.01 -0.32 -1.59 120.40 120.88 1jbz s VAL 29 Ca -0.02 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 61.83 1jbz s VAL 29 Cb -0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 1jbz s VAL 29 CO -0.02 0.09 -0.23 -0.44 0.00 0.00 0.00 175.10 174.50 1jbz s SER 30 N -0.10 3.26 0.07 3.32 0.01 -0.41 -0.93 113.70 118.90 1jbz s SER 30 Ca 0.02 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 56.83 1jbz s SER 30 Cb -0.02 -0.92 -0.03 0.00 0.21 0.00 0.00 66.02 65.26 1jbz s SER 30 CO -0.00 0.25 -0.07 -0.83 0.41 0.00 0.00 173.24 172.99 1jbz s GLY 31 N -0.17 0.62 0.00 3.44 0.00 0.25 -0.45 107.32 111.01 1jbz s GLY 31 Ca -0.03 -1.03 -0.09 0.00 0.00 0.00 0.00 44.72 43.58 1jbz s GLY 31 CO 0.04 -1.10 0.17 -0.54 0.00 0.00 0.00 173.10 171.67 1jbz s GLU 32 N -2.60 0.54 0.00 2.90 2.02 -0.66 -0.86 118.70 120.05 1jbz s GLU 32 Ca -0.00 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 54.59 1jbz s GLU 32 Cb -0.03 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.43 1jbz s GLU 32 CO -0.02 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.53 1jbz n GLY 33 N 1.32 -0.77 3.30 -1.39 0.00 -0.67 -1.44 105.19 105.54 1jbz n GLY 33 Ca -0.22 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 1jbz n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jbz s GLU 34 N -0.47 0.95 0.05 1.61 -1.05 -0.44 -0.52 118.70 118.84 1jbz s GLU 34 Ca 0.00 -0.57 0.05 0.00 -0.15 0.00 0.00 54.97 54.30 1jbz s GLU 34 Cb 0.00 0.42 -0.02 0.00 -0.44 0.00 0.00 34.13 34.08 1jbz s GLU 34 CO 0.00 -0.34 -0.15 0.20 0.95 0.00 0.00 175.26 175.92 1jbz s GLY 35 N -2.39 0.86 -0.40 -3.83 0.00 -0.19 -0.97 107.32 100.39 1jbz s GLY 35 Ca -0.01 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 43.82 1jbz s GLY 35 CO -0.07 -0.88 0.22 -0.35 0.00 0.00 0.00 173.10 172.03 1jbz s ASP 36 N -1.27 3.41 0.56 1.64 -1.08 0.21 -1.07 116.67 119.07 1jbz s ASP 36 Ca 0.02 -2.42 0.26 0.00 -0.52 0.00 0.00 52.55 49.89 1jbz s ASP 36 Cb -0.08 -0.79 1.64 0.00 -1.46 0.00 0.00 42.92 42.23 1jbz s ASP 36 CO 0.02 -0.29 2.21 0.00 0.52 0.00 0.00 175.17 177.63 1jbz h ALA 37 N 6.90 1.64 -0.71 3.66 0.00 -1.75 -1.90 119.26 127.10 1jbz h ALA 37 Ca 0.01 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.02 1jbz h ALA 37 Cb 0.95 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1jbz h ALA 37 CO 0.40 0.01 0.47 1.15 0.00 0.00 0.00 179.25 181.29 1jbz h THR 38 N 0.00 0.88 -0.46 0.00 2.02 -1.88 -1.42 112.91 112.05 1jbz h THR 38 Ca -0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1jbz h THR 38 Cb 0.03 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1jbz h THR 38 CO 0.00 0.09 0.00 -1.22 0.37 0.00 0.00 175.52 174.76 1jbz n TYR 39 N -4.49 0.64 -2.57 3.16 4.01 -0.84 -4.93 117.16 112.15 1jbz n TYR 39 Ca 0.12 -0.51 -0.18 0.00 -0.16 0.00 0.00 57.90 57.18 1jbz n TYR 39 Cb 0.41 -0.03 -0.00 0.00 -0.31 0.00 0.00 39.34 39.41 1jbz n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jbz n GLY 40 N 0.82 -0.50 3.59 2.72 0.00 -0.53 -4.77 105.19 106.52 1jbz n GLY 40 Ca 0.16 0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1jbz n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jbz s LYS 41 N -5.20 2.76 0.02 1.61 2.20 -0.77 -0.93 119.74 119.42 1jbz s LYS 41 Ca 0.07 -0.54 0.02 0.00 -0.36 0.00 0.00 55.97 55.15 1jbz s LYS 41 Cb -0.03 -2.60 -0.01 0.00 -1.51 0.00 0.00 37.83 33.67 1jbz s LYS 41 CO 0.08 0.67 -0.06 -0.51 -0.36 0.00 0.00 175.35 175.17 1jbz s LEU 42 N -0.84 2.13 -0.04 5.43 1.43 -0.46 0.66 118.68 126.99 1jbz s LEU 42 Ca 0.13 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1jbz s LEU 42 Cb -0.11 -0.21 0.02 0.00 0.03 0.00 0.00 46.19 45.92 1jbz s LEU 42 CO 0.02 -0.07 -0.04 0.42 0.23 0.00 0.00 176.35 176.91 1jbz s THR 43 N -0.74 0.49 0.07 5.49 -4.23 -0.14 -1.64 115.64 114.94 1jbz s THR 43 Ca -0.04 -0.11 -0.10 0.00 -1.18 0.00 0.00 61.69 60.26 1jbz s THR 43 Cb -0.06 -0.51 0.00 0.00 1.34 0.00 0.00 72.50 73.27 1jbz s THR 43 CO 0.00 0.21 0.21 -0.76 -0.54 0.00 0.00 174.62 173.74 1jbz s LEU 44 N 0.84 1.31 -0.08 4.79 1.43 -0.58 -1.32 118.68 125.07 1jbz s LEU 44 Ca -0.11 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.51 1jbz s LEU 44 Cb -0.14 1.08 0.01 0.00 0.03 0.00 0.00 46.19 47.17 1jbz s LEU 44 CO 0.00 -0.67 -0.18 -0.75 0.23 0.00 0.00 176.35 174.98 1jbz s LYS 45 N -3.36 2.34 -0.01 1.70 2.20 -0.52 -0.42 119.74 121.67 1jbz s LYS 45 Ca 0.01 -0.65 0.05 0.00 -0.36 0.00 0.00 55.97 55.02 1jbz s LYS 45 Cb 0.02 -1.84 -0.03 0.00 -1.51 0.00 0.00 37.83 34.48 1jbz s LYS 45 CO -0.08 0.12 -0.14 -0.06 -0.36 0.00 0.00 175.35 174.83 1jbz s PHE 46 N 0.46 2.70 -0.04 4.03 0.40 0.69 -1.65 117.98 124.58 1jbz s PHE 46 Ca -0.16 -0.16 0.03 0.00 -0.60 0.00 0.00 56.93 56.04 1jbz s PHE 46 Cb -0.17 -1.57 0.01 0.00 0.51 0.00 0.00 43.02 41.80 1jbz s PHE 46 CO 0.06 0.25 -0.10 0.42 0.70 0.00 0.00 175.22 176.55 1jbz s ILE 47 N -0.86 0.89 -0.40 0.64 1.01 0.40 -1.13 121.20 121.74 1jbz s ILE 47 Ca 0.14 -0.40 -0.27 0.00 0.00 0.00 0.00 60.65 60.12 1jbz s ILE 47 Cb -0.11 -0.80 0.02 0.00 0.01 0.00 0.00 42.46 41.58 1jbz s ILE 47 CO 0.04 0.28 1.02 0.00 0.00 0.00 0.00 174.94 176.28 1jbz n THR 49 N 6.28 0.00 0.25 0.00 -2.24 -0.62 -3.62 114.28 114.33 1jbz n THR 49 Ca 0.09 -0.07 0.09 0.00 -2.27 0.00 0.00 64.05 61.90 1jbz n THR 49 Cb 0.48 0.01 0.16 0.00 -2.10 0.00 0.00 70.33 68.88 1jbz n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jbz n THR 50 N -0.97 0.48 0.00 4.28 -2.24 -1.25 -4.97 114.28 109.61 1jbz n THR 50 Ca 0.13 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1jbz n THR 50 Cb 0.30 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 1jbz n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jbz n GLY 51 N 1.05 0.35 3.79 3.38 0.00 -1.24 -5.00 105.19 107.52 1jbz n GLY 51 Ca 0.14 -1.18 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 1jbz n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jbz s LYS 52 N 0.00 4.23 0.10 1.61 2.47 -1.26 -4.46 119.74 122.44 1jbz s LYS 52 Ca 0.00 0.69 -0.31 0.00 -1.56 0.00 0.00 55.97 54.80 1jbz s LYS 52 Cb 0.00 -3.29 -0.07 0.00 -1.46 0.00 0.00 37.83 33.01 1jbz s LYS 52 CO 0.00 0.51 1.30 -1.17 0.16 0.00 0.00 175.35 176.15 1jbz s LEU 53 N -0.64 4.38 0.00 5.43 2.96 -1.26 -4.92 118.68 124.64 1jbz s LEU 53 Ca 0.29 2.21 0.27 0.00 -0.22 0.00 0.00 54.13 56.68 1jbz s LEU 53 Cb -0.18 -3.59 1.48 0.00 0.50 0.00 0.00 46.19 44.40 1jbz s LEU 53 CO 0.17 -0.56 1.95 -0.81 -1.32 0.00 0.00 176.35 175.78 1jbz n PRO 54 N 3.76 0.60 -4.32 0.98 -0.04 -1.26 -4.79 135.00 129.92 1jbz n PRO 54 Ca 0.10 0.02 -0.16 0.00 -0.04 0.00 0.00 63.50 63.41 1jbz n PRO 54 Cb 0.44 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.30 1jbz n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1jbz s VAL 55 N -2.31 0.56 0.34 0.52 -7.23 -1.26 -4.69 120.40 106.33 1jbz s VAL 55 Ca 0.33 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.23 1jbz s VAL 55 Cb 0.18 -2.64 -0.09 0.00 0.56 0.00 0.00 36.38 34.39 1jbz s VAL 55 CO 0.37 -0.00 1.03 -2.84 -0.31 0.00 0.00 175.10 173.34 1jbz s PRO 56 N -4.03 4.43 0.26 4.82 0.02 -1.26 -4.93 135.00 134.30 1jbz s PRO 56 Ca 0.38 1.54 -0.02 0.00 0.02 0.00 0.00 61.00 62.92 1jbz s PRO 56 Cb 0.08 -2.82 0.50 0.00 0.02 0.00 0.00 34.50 32.28 1jbz s PRO 56 CO 0.14 0.09 1.75 -1.49 -0.33 0.00 0.00 177.00 177.16 1jbz h TRP 57 N 3.10 0.68 0.00 6.54 4.06 -1.96 -1.31 115.95 127.05 1jbz h TRP 57 Ca -0.47 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.51 1jbz h TRP 57 Cb 1.21 -0.18 -0.00 0.00 -1.00 0.00 0.00 29.16 29.19 1jbz h TRP 57 CO 0.59 0.14 -0.01 -1.35 -3.56 0.00 0.00 178.44 174.26 1jbz h PRO 58 N 0.56 0.00 0.00 0.49 0.11 -1.88 -0.95 132.00 130.34 1jbz h PRO 58 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1jbz h PRO 58 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1jbz h PRO 58 CO -0.37 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 177.68 1jbz n THR 59 N -3.72 0.81 0.88 -1.15 -2.24 -0.50 -2.95 114.28 105.41 1jbz n THR 59 Ca -0.03 0.18 0.09 0.00 -2.27 0.00 0.00 64.05 62.02 1jbz n THR 59 Cb 0.09 -1.09 -0.06 0.00 -2.10 0.00 0.00 70.33 67.17 1jbz n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jbz n LEU 60 N -2.17 1.29 0.05 3.22 4.77 -0.36 -4.66 117.00 119.14 1jbz n LEU 60 Ca 0.03 -0.61 -0.11 0.00 -0.03 0.00 0.00 56.01 55.29 1jbz n LEU 60 Cb 0.24 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.29 1jbz n LEU 60 CO 0.20 0.27 0.71 0.58 -1.33 0.00 0.00 177.39 177.83 1jbz h VAL 61 N 0.90 0.47 0.00 4.08 2.07 -1.54 -1.56 116.25 120.67 1jbz h VAL 61 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1jbz h VAL 61 Cb 0.53 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1jbz h VAL 61 CO 0.00 0.00 -0.07 0.71 0.02 0.00 0.00 177.57 178.23 1jbz h THR 62 N -0.35 1.05 -0.29 2.57 1.35 -1.83 -2.24 112.91 113.17 1jbz h THR 62 Ca 0.06 -0.26 -0.15 0.00 -0.55 0.00 0.00 66.41 65.52 1jbz h THR 62 Cb 0.44 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1jbz h THR 62 CO -0.21 0.07 -0.41 0.74 -0.25 0.00 0.00 175.52 175.46 1jbz h THR 63 N 0.00 1.29 0.00 6.82 2.02 -1.68 -3.45 112.91 117.91 1jbz h THR 63 Ca -0.00 -1.59 -0.30 0.00 0.77 0.00 0.00 66.41 65.28 1jbz h THR 63 Cb 0.13 1.61 0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1jbz h THR 63 CO 0.01 0.52 2.21 0.49 0.37 0.00 0.00 175.52 179.12 1jbz n PHE 64 N -4.14 1.07 0.00 3.16 3.72 -0.65 -5.04 117.46 115.57 1jbz n PHE 64 Ca -0.04 -1.67 0.00 0.00 -0.05 0.00 0.00 57.45 55.69 1jbz n PHE 64 Cb 0.55 -1.47 0.00 0.00 -0.94 0.00 0.00 39.48 37.62 1jbz n PHE 64 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1jbz n VAL 68 N 4.22 0.00 0.24 -4.37 0.24 -1.26 -5.02 118.33 112.38 1jbz n VAL 68 Ca 0.36 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.69 1jbz n VAL 68 Cb 0.13 0.00 0.13 0.00 -1.47 0.00 0.00 33.84 32.63 1jbz n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jbz n GLN 69 N 0.00 0.05 0.15 7.34 6.02 -1.26 -1.27 117.38 128.41 1jbz n GLN 69 Ca 0.00 0.30 0.12 0.00 -0.01 0.00 0.00 57.00 57.41 1jbz n GLN 69 Cb 0.00 -1.50 0.52 0.00 1.02 0.00 0.00 30.24 30.28 1jbz n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jbz n PHE 71 N -2.30 0.10 -1.95 0.00 3.72 -0.40 -4.69 117.46 111.94 1jbz n PHE 71 Ca 0.02 -0.05 -0.39 0.00 -0.05 0.00 0.00 57.45 56.97 1jbz n PHE 71 Cb 0.21 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.76 1jbz n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1jbz s SER 72 N -1.71 5.96 -0.26 4.37 0.01 -0.83 -3.98 113.70 117.26 1jbz s SER 72 Ca 0.34 2.71 -0.21 0.00 1.31 0.00 0.00 55.95 60.10 1jbz s SER 72 Cb 0.18 -2.64 -0.01 0.00 0.21 0.00 0.00 66.02 63.76 1jbz s SER 72 CO 0.28 -1.09 0.67 -0.60 0.41 0.00 0.00 173.24 172.91 1jbz s ARG 73 N -2.49 4.09 -0.28 12.44 3.52 -0.28 -4.77 118.95 131.18 1jbz s ARG 73 Ca 0.62 0.59 -0.13 0.00 -0.13 0.00 0.00 55.73 56.67 1jbz s ARG 73 Cb -0.39 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.30 1jbz s ARG 73 CO 0.49 -0.46 0.29 0.71 -0.81 0.00 0.00 175.30 175.52 1jbz s TYR 74 N 2.59 3.23 0.77 5.12 1.51 -1.26 -1.29 117.35 128.03 1jbz s TYR 74 Ca 0.28 0.26 -0.15 0.00 -1.01 0.00 0.00 57.07 56.45 1jbz s TYR 74 Cb -0.15 -2.49 0.01 0.00 -0.11 0.00 0.00 41.96 39.22 1jbz s TYR 74 CO 0.09 -0.21 0.82 -2.30 -1.11 0.00 0.00 175.55 172.84 1jbz n PRO 75 N 5.21 0.27 -0.23 -1.71 -0.02 -1.26 -4.64 135.00 132.62 1jbz n PRO 75 Ca -0.11 0.15 0.03 0.00 -2.02 0.00 0.00 63.50 61.55 1jbz n PRO 75 Cb 0.51 -2.11 0.14 0.00 -0.02 0.00 0.00 33.50 32.03 1jbz n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1jbz h ASP 76 N -0.60 -0.11 0.32 2.55 3.58 -2.00 0.22 116.42 120.37 1jbz h ASP 76 Ca -0.46 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.14 1jbz h ASP 76 Cb 1.32 0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.60 1jbz h ASP 76 CO 0.44 -0.07 0.00 0.00 -2.88 0.00 0.00 179.24 176.73 1jbz n HIS 77 N -5.21 0.66 0.33 0.28 1.44 -1.26 -2.26 115.22 109.20 1jbz n HIS 77 Ca 0.12 0.30 0.06 0.00 -2.01 0.00 0.00 57.72 56.19 1jbz n HIS 77 Cb 0.41 -0.99 0.07 0.00 0.12 0.00 0.00 29.99 29.60 1jbz n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1jbz n MET 78 N -2.14 1.03 -0.15 -1.40 2.81 0.71 -4.69 117.12 113.28 1jbz n MET 78 Ca 0.00 -1.35 0.28 0.00 -1.81 0.00 0.00 57.70 54.82 1jbz n MET 78 Cb 0.12 -1.23 0.72 0.00 -0.71 0.00 0.00 33.22 32.12 1jbz n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1jbz h LYS 79 N 2.15 0.00 0.00 0.03 1.57 -0.96 0.38 116.57 119.75 1jbz h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jbz h LYS 79 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1jbz h LYS 79 CO 0.00 0.00 0.00 2.89 -0.57 0.00 0.00 179.45 181.77 1jbz n ARG 80 N -4.25 0.49 -0.17 3.15 1.85 -1.26 -2.72 116.66 113.74 1jbz n ARG 80 Ca 0.17 0.04 0.08 0.00 -1.00 0.00 0.00 57.85 57.15 1jbz n ARG 80 Cb 0.92 -1.50 0.17 0.00 -1.05 0.00 0.00 32.46 31.00 1jbz n ARG 80 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1jbz n HIS 81 N -1.13 0.45 -2.75 2.89 8.25 0.13 -4.68 115.22 118.39 1jbz n HIS 81 Ca 0.13 -0.33 -0.43 0.00 -0.26 0.00 0.00 57.72 56.82 1jbz n HIS 81 Cb 0.11 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.20 1jbz n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1jbz s ASP 82 N -1.12 6.84 0.20 0.41 -1.08 -1.10 -4.51 116.67 116.31 1jbz s ASP 82 Ca 0.29 -2.44 -0.11 0.00 -0.52 0.00 0.00 52.55 49.77 1jbz s ASP 82 Cb 0.16 -2.49 0.20 0.00 -1.46 0.00 0.00 42.92 39.33 1jbz s ASP 82 CO 0.22 -1.05 1.80 0.15 0.52 0.00 0.00 175.17 176.81 1jbz h PHE 83 N 7.92 0.62 0.04 -5.34 3.57 -1.90 -3.08 116.94 118.77 1jbz h PHE 83 Ca 0.33 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.87 1jbz h PHE 83 Cb 0.91 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 1jbz h PHE 83 CO 1.26 0.30 -0.22 0.74 -2.23 0.00 0.00 178.31 178.16 1jbz h PHE 84 N 0.63 -0.57 -0.04 0.41 0.04 -1.89 -2.03 116.94 113.49 1jbz h PHE 84 Ca 0.27 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.93 1jbz h PHE 84 Cb 0.16 0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 1jbz h PHE 84 CO -0.08 -0.31 -0.53 0.87 -0.60 0.00 0.00 178.31 177.66 1jbz h LYS 85 N -0.37 0.12 0.00 1.51 1.57 -1.84 -3.05 116.57 114.51 1jbz h LYS 85 Ca 0.05 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1jbz h LYS 85 Cb 0.42 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1jbz h LYS 85 CO -0.17 0.63 -0.03 0.66 -0.57 0.00 0.00 179.45 179.96 1jbz h SER 86 N 0.09 0.00 1.01 0.86 4.64 -1.28 -2.18 113.55 116.69 1jbz h SER 86 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jbz h SER 86 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1jbz h SER 86 CO 0.08 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 176.07 1jbz n ALA 87 N -2.14 2.30 -2.28 5.18 0.00 -1.00 -4.48 120.51 118.09 1jbz n ALA 87 Ca -0.01 -0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.04 1jbz n ALA 87 Cb 0.20 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.17 1jbz n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1jbz s MET 88 N -3.01 3.72 0.15 0.00 1.00 -0.82 -0.21 119.30 120.14 1jbz s MET 88 Ca 0.13 0.32 0.26 0.00 0.00 0.00 0.00 55.69 56.40 1jbz s MET 88 Cb 0.18 -2.46 0.66 0.00 0.00 0.00 0.00 34.83 33.22 1jbz s MET 88 CO 0.52 0.02 1.61 -0.35 0.00 0.00 0.00 175.02 176.82 1jbz n PRO 89 N -1.30 0.24 -0.32 2.03 -0.04 -1.26 -4.05 135.00 130.30 1jbz n PRO 89 Ca 0.01 0.14 0.08 0.00 -0.04 0.00 0.00 63.50 63.69 1jbz n PRO 89 Cb 0.54 -1.73 0.28 0.00 -0.04 0.00 0.00 33.50 32.56 1jbz n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1jbz h GLU 90 N 0.00 0.88 0.00 0.54 3.07 -1.90 -2.80 114.58 114.37 1jbz h GLU 90 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1jbz h GLU 90 Cb 0.71 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1jbz h GLU 90 CO 0.00 0.58 0.00 0.41 -1.40 0.00 0.00 179.01 178.60 1jbz n GLY 91 N -1.38 -2.86 3.16 -3.84 0.00 0.71 -4.69 105.19 96.29 1jbz n GLY 91 Ca 0.18 -2.10 -0.08 0.00 0.00 0.00 0.00 46.02 44.02 1jbz n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jbz s TYR 92 N -0.48 0.31 -0.16 1.61 -0.85 -0.34 -0.64 117.35 116.80 1jbz s TYR 92 Ca 0.00 -0.78 -0.11 0.00 -0.52 0.00 0.00 57.07 55.66 1jbz s TYR 92 Cb 0.00 -0.19 -0.05 0.00 0.38 0.00 0.00 41.96 42.10 1jbz s TYR 92 CO 0.00 -0.49 0.20 0.08 -1.52 0.00 0.00 175.55 173.83 1jbz s VAL 93 N -3.89 5.37 -0.17 -3.49 1.01 0.86 -1.16 120.40 118.93 1jbz s VAL 93 Ca 0.06 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.41 1jbz s VAL 93 Cb 0.06 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.93 1jbz s VAL 93 CO -0.10 0.47 -0.19 -1.58 0.00 0.00 0.00 175.10 173.70 1jbz s GLN 94 N 0.04 3.05 0.06 2.72 0.74 -0.15 -1.50 119.66 124.60 1jbz s GLN 94 Ca 0.13 -0.81 0.08 0.00 0.05 0.00 0.00 55.36 54.81 1jbz s GLN 94 Cb -0.12 -2.58 -0.03 0.00 1.10 0.00 0.00 33.01 31.38 1jbz s GLN 94 CO 0.02 -0.14 -0.22 -1.21 -0.55 0.00 0.00 175.29 173.19 1jbz s GLU 95 N 1.14 1.89 0.05 1.67 2.02 -0.02 -0.65 118.70 124.80 1jbz s GLU 95 Ca 0.01 -1.07 -0.03 0.00 0.02 0.00 0.00 54.97 53.90 1jbz s GLU 95 Cb -0.14 -2.08 -0.03 0.00 0.10 0.00 0.00 34.13 31.98 1jbz s GLU 95 CO -0.08 0.52 0.02 1.03 0.02 0.00 0.00 175.26 176.76 1jbz s ARG 96 N -1.47 0.58 -0.11 1.61 0.52 -0.21 -1.07 118.95 118.79 1jbz s ARG 96 Ca 0.14 -0.99 0.03 0.00 -0.52 0.00 0.00 55.73 54.39 1jbz s ARG 96 Cb -0.10 0.21 0.01 0.00 0.52 0.00 0.00 34.95 35.58 1jbz s ARG 96 CO 0.04 -0.12 -0.22 0.99 0.02 0.00 0.00 175.30 176.01 1jbz s THR 97 N -3.21 1.95 -0.25 0.02 2.01 -0.49 -1.07 115.64 114.59 1jbz s THR 97 Ca 0.00 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.07 1jbz s THR 97 Cb 0.03 -1.71 0.04 0.00 0.01 0.00 0.00 72.50 70.87 1jbz s THR 97 CO -0.07 0.53 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.67 1jbz s ILE 98 N 0.58 2.50 -0.35 1.82 1.01 0.45 -1.07 121.20 126.13 1jbz s ILE 98 Ca -0.14 -1.32 -0.17 0.00 0.00 0.00 0.00 60.65 59.03 1jbz s ILE 98 Cb -0.17 -2.35 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 1jbz s ILE 98 CO 0.04 0.10 0.43 -0.36 0.00 0.00 0.00 174.94 175.15 1jbz s PHE 99 N 1.22 3.19 -0.32 3.97 0.40 0.63 -0.90 117.98 126.17 1jbz s PHE 99 Ca -0.04 0.02 -0.23 0.00 -0.60 0.00 0.00 56.93 56.08 1jbz s PHE 99 Cb -0.18 -2.80 0.00 0.00 0.51 0.00 0.00 43.02 40.56 1jbz s PHE 99 CO -0.05 -0.50 0.76 -0.06 0.70 0.00 0.00 175.22 176.06 1jbz s PHE 100 N 2.18 3.18 0.23 0.36 0.40 -0.37 -0.95 117.98 123.01 1jbz s PHE 100 Ca 0.15 0.69 -0.31 0.00 -0.60 0.00 0.00 56.93 56.86 1jbz s PHE 100 Cb -0.16 -3.23 -0.14 0.00 0.51 0.00 0.00 43.02 39.99 1jbz s PHE 100 CO 0.13 -0.60 1.18 1.17 0.70 0.00 0.00 175.22 177.80 1jbz n LYS 101 N 6.21 1.49 -1.97 0.44 4.81 -0.16 -0.78 118.16 128.19 1jbz n LYS 101 Ca 0.03 0.53 -0.17 0.00 -0.87 0.00 0.00 58.31 57.82 1jbz n LYS 101 Cb 0.48 -2.03 -0.04 0.00 0.02 0.00 0.00 35.03 33.46 1jbz n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1jbz n ASP 102 N 1.74 -4.72 0.00 3.14 8.00 -1.26 -4.84 116.55 118.61 1jbz n ASP 102 Ca 0.12 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.86 1jbz n ASP 102 Cb 0.29 -4.10 0.00 0.00 -0.02 0.00 0.00 41.12 37.29 1jbz n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1jbz n ASP 103 N -1.44 0.00 -2.22 -2.24 -0.08 0.04 -4.93 116.55 105.67 1jbz n ASP 103 Ca -0.19 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.07 1jbz n ASP 103 Cb 0.61 0.00 0.02 0.00 2.34 0.00 0.00 41.12 44.08 1jbz n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jbz n GLY 104 N 0.00 -1.42 3.08 0.27 0.00 -1.16 -4.58 105.19 101.38 1jbz n GLY 104 Ca 0.00 -1.63 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 1jbz n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jbz s ASN 105 N -1.42 0.78 -0.04 1.61 2.20 -0.81 -1.23 114.94 116.03 1jbz s ASN 105 Ca 0.05 -0.73 -0.00 0.00 -0.94 0.00 0.00 52.86 51.24 1jbz s ASN 105 Cb -0.00 0.09 -0.03 0.00 -2.00 0.00 0.00 41.25 39.30 1jbz s ASN 105 CO 0.04 -0.35 0.01 -0.31 -2.94 0.00 0.00 177.10 173.55 1jbz s TYR 106 N -2.35 3.14 -0.12 1.54 2.02 -0.08 -1.84 117.35 119.65 1jbz s TYR 106 Ca -0.03 0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.84 1jbz s TYR 106 Cb -0.03 -1.73 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1jbz s TYR 106 CO -0.03 0.48 -0.21 0.15 -1.57 0.00 0.00 175.55 174.37 1jbz s LYS 107 N -1.29 2.85 0.07 -0.62 1.02 0.44 -0.41 119.74 121.80 1jbz s LYS 107 Ca 0.17 -0.80 0.07 0.00 0.02 0.00 0.00 55.97 55.43 1jbz s LYS 107 Cb -0.11 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 34.88 1jbz s LYS 107 CO 0.07 0.02 -0.18 0.95 -0.92 0.00 0.00 175.35 175.30 1jbz s THR 108 N 0.73 1.42 -0.05 2.17 -4.23 -0.23 -0.66 115.64 114.79 1jbz s THR 108 Ca -0.10 -1.33 0.01 0.00 -1.18 0.00 0.00 61.69 59.09 1jbz s THR 108 Cb -0.16 -1.30 0.02 0.00 1.34 0.00 0.00 72.50 72.40 1jbz s THR 108 CO 0.01 -0.06 -0.07 -0.60 -0.54 0.00 0.00 174.62 173.35 1jbz s ARG 109 N -1.63 1.12 0.10 3.99 3.52 -0.41 -1.05 118.95 124.58 1jbz s ARG 109 Ca 0.03 -0.20 0.02 0.00 -0.13 0.00 0.00 55.73 55.45 1jbz s ARG 109 Cb -0.09 -1.03 -0.04 0.00 -1.56 0.00 0.00 34.95 32.22 1jbz s ARG 109 CO 0.03 -0.05 -0.07 0.00 -0.81 0.00 0.00 175.30 174.40 1jbz s ALA 110 N 0.86 0.97 -0.10 6.12 0.00 0.17 -0.81 121.76 128.97 1jbz s ALA 110 Ca -0.12 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.55 1jbz s ALA 110 Cb -0.15 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.13 1jbz s ALA 110 CO 0.01 -0.22 -0.17 -1.21 0.00 0.00 0.00 175.76 174.17 1jbz s GLU 111 N -3.69 2.40 -0.20 0.00 2.02 -0.29 -0.98 118.70 117.96 1jbz s GLU 111 Ca 0.11 -0.64 -0.01 0.00 0.02 0.00 0.00 54.97 54.45 1jbz s GLU 111 Cb 0.04 -1.96 0.01 0.00 0.10 0.00 0.00 34.13 32.32 1jbz s GLU 111 CO -0.04 0.00 -0.14 0.08 0.02 0.00 0.00 175.26 175.19 1jbz s VAL 112 N 0.79 2.54 0.23 2.63 1.01 -0.31 -1.19 120.40 126.10 1jbz s VAL 112 Ca -0.10 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 60.82 1jbz s VAL 112 Cb -0.16 -2.14 0.04 0.00 0.00 0.00 0.00 36.38 34.12 1jbz s VAL 112 CO 0.01 0.45 0.74 -1.59 0.00 0.00 0.00 175.10 174.72 1jbz s LYS 113 N 1.34 1.57 0.21 2.72 -2.85 -0.50 -1.20 119.74 121.03 1jbz s LYS 113 Ca 0.04 -0.82 -0.20 0.00 -1.00 0.00 0.00 55.97 53.99 1jbz s LYS 113 Cb -0.14 0.56 -0.08 0.00 -2.06 0.00 0.00 37.83 36.11 1jbz s LYS 113 CO -0.09 -0.71 0.73 -0.06 0.10 0.00 0.00 175.35 175.32 1jbz s PHE 114 N -3.76 3.68 -0.35 1.78 0.08 -1.06 -0.65 117.98 117.71 1jbz s PHE 114 Ca 0.09 1.41 0.02 0.00 0.12 0.00 0.00 56.93 58.58 1jbz s PHE 114 Cb -0.04 -2.63 0.10 0.00 -0.57 0.00 0.00 43.02 39.88 1jbz s PHE 114 CO 0.02 0.36 0.09 -1.21 -0.10 0.00 0.00 175.22 174.39 1jbz s GLU 115 N -1.86 1.21 4.80 0.44 0.41 0.10 -4.91 118.70 118.90 1jbz s GLU 115 Ca 0.42 -1.63 0.00 0.00 -0.41 0.00 0.00 54.97 53.35 1jbz s GLU 115 Cb -0.17 -2.70 0.00 0.00 -1.78 0.00 0.00 34.13 29.47 1jbz s GLU 115 CO 0.21 -0.98 0.00 0.41 -0.49 0.00 0.00 175.26 174.41 1jbz n GLY 116 N 4.36 1.14 0.48 -1.39 0.00 -1.26 -2.04 105.19 106.49 1jbz n GLY 116 Ca 0.02 -0.74 0.12 0.00 0.00 0.00 0.00 46.02 45.42 1jbz n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jbz n ASP 117 N 3.45 1.47 -4.71 1.61 5.75 -1.26 -4.89 116.55 117.97 1jbz n ASP 117 Ca 0.00 -1.61 -0.35 0.00 -0.01 0.00 0.00 54.79 52.82 1jbz n ASP 117 Cb 0.00 -0.06 -0.09 0.00 -1.03 0.00 0.00 41.12 39.94 1jbz n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1jbz s THR 118 N -1.87 4.82 -0.24 2.12 2.01 -0.87 -4.36 115.64 117.26 1jbz s THR 118 Ca 0.34 -0.04 -0.22 0.00 0.31 0.00 0.00 61.69 62.08 1jbz s THR 118 Cb 0.18 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.57 1jbz s THR 118 CO 0.28 0.55 0.72 -0.22 -0.69 0.00 0.00 174.62 175.26 1jbz s LEU 119 N -0.40 4.08 -0.09 4.42 1.98 -0.29 0.02 118.68 128.39 1jbz s LEU 119 Ca 0.09 0.87 0.01 0.00 -2.89 0.00 0.00 54.13 52.21 1jbz s LEU 119 Cb -0.12 -3.01 -0.02 0.00 0.66 0.00 0.00 46.19 43.70 1jbz s LEU 119 CO 0.02 -0.43 -0.11 -0.69 -1.89 0.00 0.00 176.35 173.25 1jbz s VAL 120 N 2.60 3.27 -0.27 1.68 1.01 0.18 -1.40 120.40 127.46 1jbz s VAL 120 Ca 0.30 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1jbz s VAL 120 Cb -0.15 -2.34 0.07 0.00 0.00 0.00 0.00 36.38 33.96 1jbz s VAL 120 CO 0.08 0.56 -0.04 0.21 0.00 0.00 0.00 175.10 175.91 1jbz s ASN 121 N -0.22 4.30 -0.18 3.32 2.47 -0.58 -1.41 114.94 122.64 1jbz s ASN 121 Ca 0.01 -1.53 -0.05 0.00 0.42 0.00 0.00 52.86 51.72 1jbz s ASN 121 Cb -0.13 -1.40 -0.03 0.00 -1.45 0.00 0.00 41.25 38.24 1jbz s ASN 121 CO 0.03 -0.27 -0.01 -0.13 -3.72 0.00 0.00 177.10 173.00 1jbz s ARG 122 N 1.18 3.67 0.03 0.43 0.52 -0.33 -1.43 118.95 123.03 1jbz s ARG 122 Ca -0.02 -0.50 0.06 0.00 -0.52 0.00 0.00 55.73 54.75 1jbz s ARG 122 Cb -0.19 -3.03 -0.02 0.00 0.52 0.00 0.00 34.95 32.22 1jbz s ARG 122 CO -0.08 0.12 -0.16 0.42 0.02 0.00 0.00 175.30 175.62 1jbz s ILE 123 N 0.71 1.31 -0.14 1.52 1.01 0.62 -1.14 121.20 125.10 1jbz s ILE 123 Ca -0.00 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.64 1jbz s ILE 123 Cb -0.14 -1.15 0.00 0.00 0.01 0.00 0.00 42.46 41.18 1jbz s ILE 123 CO 0.02 0.12 -0.18 -1.61 0.00 0.00 0.00 174.94 173.28 1jbz s GLU 124 N -1.05 3.15 -0.06 2.79 2.02 0.01 -1.42 118.70 124.14 1jbz s GLU 124 Ca 0.04 -0.80 0.05 0.00 0.02 0.00 0.00 54.97 54.28 1jbz s GLU 124 Cb -0.08 -2.52 -0.00 0.00 0.10 0.00 0.00 34.13 31.63 1jbz s GLU 124 CO 0.01 0.06 -0.21 -1.17 0.02 0.00 0.00 175.26 173.97 1jbz s LEU 125 N 0.69 1.97 -0.10 1.80 0.20 -0.33 -1.29 118.68 121.61 1jbz s LEU 125 Ca -0.09 -0.45 0.00 0.00 0.69 0.00 0.00 54.13 54.29 1jbz s LEU 125 Cb -0.16 -1.19 0.02 0.00 -0.43 0.00 0.00 46.19 44.44 1jbz s LEU 125 CO 0.02 0.17 -0.10 -0.75 -0.29 0.00 0.00 176.35 175.40 1jbz s LYS 126 N 0.11 1.67 -0.10 1.98 2.47 0.17 -1.68 119.74 124.37 1jbz s LYS 126 Ca -0.09 -0.33 0.01 0.00 -1.56 0.00 0.00 55.97 54.00 1jbz s LYS 126 Cb -0.14 -1.60 -0.02 0.00 -1.46 0.00 0.00 37.83 34.61 1jbz s LYS 126 CO 0.04 -0.18 -0.13 0.20 0.16 0.00 0.00 175.35 175.44 1jbz s GLY 127 N 1.40 1.56 0.08 5.54 0.00 0.17 -0.42 107.32 115.64 1jbz s GLY 127 Ca -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1jbz s GLY 127 CO -0.05 -0.43 -0.05 -0.26 0.00 0.00 0.00 173.10 172.30 1jbz s ILE 128 N -0.14 0.48 -1.54 0.90 -4.36 -0.77 -1.13 121.20 114.64 1jbz s ILE 128 Ca -0.01 -1.88 0.00 0.00 -0.26 0.00 0.00 60.65 58.50 1jbz s ILE 128 Cb -0.13 -1.62 0.00 0.00 1.25 0.00 0.00 42.46 41.96 1jbz s ILE 128 CO 0.03 -0.92 0.00 0.47 0.24 0.00 0.00 174.94 174.76 1jbz n ASP 129 N 0.02 -4.99 -4.85 4.36 8.00 -1.26 -1.92 116.55 115.91 1jbz n ASP 129 Ca -0.13 0.11 -0.32 0.00 0.71 0.00 0.00 54.79 55.16 1jbz n ASP 129 Cb 0.61 -4.06 -0.04 0.00 -0.02 0.00 0.00 41.12 37.61 1jbz n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1jbz s PHE 130 N -2.78 3.44 -0.10 1.24 0.40 -1.26 -3.01 117.98 115.91 1jbz s PHE 130 Ca 0.00 1.39 -0.19 0.00 -0.60 0.00 0.00 56.93 57.53 1jbz s PHE 130 Cb 0.00 -2.72 -0.04 0.00 0.51 0.00 0.00 43.02 40.77 1jbz s PHE 130 CO 0.00 -0.27 0.50 0.15 0.70 0.00 0.00 175.22 176.30 1jbz s LYS 131 N -3.89 4.34 0.52 0.44 1.02 -1.26 -4.87 119.74 116.04 1jbz s LYS 131 Ca 0.57 0.51 0.29 0.00 0.02 0.00 0.00 55.97 57.36 1jbz s LYS 131 Cb -0.10 -3.42 1.42 0.00 -0.52 0.00 0.00 37.83 35.21 1jbz s LYS 131 CO 0.29 0.18 1.92 1.49 -0.92 0.00 0.00 175.35 178.30 1jbz h GLU 132 N 6.60 0.04 0.00 1.68 4.81 -1.96 -1.02 114.58 124.72 1jbz h GLU 132 Ca -0.42 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.79 1jbz h GLU 132 Cb 1.18 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 1jbz h GLU 132 CO 0.75 0.02 -0.54 -0.25 -0.73 0.00 0.00 179.01 178.27 1jbz n ASP 133 N -4.32 1.65 -2.25 1.04 8.00 -1.26 -4.07 116.55 115.34 1jbz n ASP 133 Ca 0.16 -3.67 -0.03 0.00 0.71 0.00 0.00 54.79 51.96 1jbz n ASP 133 Cb 0.84 -0.50 0.02 0.00 -0.02 0.00 0.00 41.12 41.46 1jbz n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jbz n GLY 134 N -0.96 -0.71 0.19 0.44 0.00 -0.39 -4.75 105.19 99.01 1jbz n GLY 134 Ca 0.17 -1.74 0.06 0.00 0.00 0.00 0.00 46.02 44.51 1jbz n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jbz h ASN 135 N -0.18 0.00 0.01 1.61 2.35 -1.94 -1.41 115.58 116.02 1jbz h ASN 135 Ca -0.05 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1jbz h ASN 135 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1jbz h ASN 135 CO 0.04 0.37 -0.00 0.40 -1.65 0.00 0.00 177.43 176.58 1jbz h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.93 -1.17 117.51 122.25 1jbz h ILE 136 Ca -0.00 -0.41 -0.03 0.00 -0.12 0.00 0.00 64.86 64.30 1jbz h ILE 136 Cb 0.85 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.64 1jbz h ILE 136 CO 0.05 0.00 -0.12 -0.07 -0.68 0.00 0.00 178.15 177.33 1jbz h LEU 137 N -0.42 0.00 -0.16 1.44 3.38 -1.75 -1.70 115.31 116.09 1jbz h LEU 137 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jbz h LEU 137 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1jbz h LEU 137 CO 0.00 0.12 -0.11 0.61 0.09 0.00 0.00 178.44 179.15 1jbz n GLY 138 N -0.20 -1.07 3.58 0.83 0.00 -0.53 -4.92 105.19 102.89 1jbz n GLY 138 Ca -0.01 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 1jbz n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jbz n HIS 139 N -1.10 -2.05 -0.62 1.61 8.25 -0.64 -4.91 115.22 115.76 1jbz n HIS 139 Ca 0.13 0.70 0.07 0.00 -0.26 0.00 0.00 57.72 58.36 1jbz n HIS 139 Cb 0.28 -3.97 0.23 0.00 1.12 0.00 0.00 29.99 27.66 1jbz n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1jbz n LYS 140 N -3.98 3.03 -3.64 -0.41 5.02 -0.45 -4.99 118.16 112.75 1jbz n LYS 140 Ca -0.16 -2.53 -0.36 0.00 -2.02 0.00 0.00 58.31 53.24 1jbz n LYS 140 Cb 0.63 -1.62 -0.06 0.00 -0.02 0.00 0.00 35.03 33.96 1jbz n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jbz s LEU 141 N -1.98 4.39 0.67 -0.35 1.43 -1.25 -0.86 118.68 120.72 1jbz s LEU 141 Ca 0.36 0.74 -0.13 0.00 -1.03 0.00 0.00 54.13 54.06 1jbz s LEU 141 Cb 0.25 -2.71 -0.00 0.00 0.03 0.00 0.00 46.19 43.76 1jbz s LEU 141 CO 0.13 0.26 1.07 -1.61 0.23 0.00 0.00 176.35 176.43 1jbz s GLU 142 N -1.58 2.94 -1.39 1.70 2.02 0.00 -4.87 118.70 117.52 1jbz s GLU 142 Ca 0.27 1.13 -0.09 0.00 0.02 0.00 0.00 54.97 56.30 1jbz s GLU 142 Cb -0.14 -1.98 0.08 0.00 0.10 0.00 0.00 34.13 32.19 1jbz s GLU 142 CO 0.15 -1.11 2.28 0.98 0.02 0.00 0.00 175.26 177.58 1jbz n TYR 143 N -2.73 2.87 -3.02 1.61 9.36 -1.26 -4.74 117.16 119.25 1jbz n TYR 143 Ca 0.09 -2.89 0.00 0.00 3.32 0.00 0.00 57.90 58.42 1jbz n TYR 143 Cb 0.53 -2.14 0.00 0.00 -0.63 0.00 0.00 39.34 37.10 1jbz n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1jbz n ASN 144 N 3.70 0.00 -3.60 2.98 0.23 -1.26 -4.75 115.26 112.55 1jbz n ASN 144 Ca 0.55 -0.55 0.01 0.00 -0.53 0.00 0.00 54.58 54.06 1jbz n ASN 144 Cb 0.31 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.00 1jbz n ASN 144 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 1jbz s TYR 145 N -4.25 -0.01 -0.11 -2.53 -0.85 -1.26 -4.56 117.35 103.78 1jbz s TYR 145 Ca 0.00 0.00 0.03 0.00 -0.52 0.00 0.00 57.07 56.58 1jbz s TYR 145 Cb 0.00 0.50 0.01 0.00 0.38 0.00 0.00 41.96 42.85 1jbz s TYR 145 CO 0.00 -0.03 -0.20 -0.80 -1.52 0.00 0.00 175.55 173.00 1jbz s ASN 146 N -2.51 2.74 0.11 -0.18 0.01 -0.46 -4.99 114.94 109.68 1jbz s ASN 146 Ca 0.13 -0.50 0.05 0.00 -0.71 0.00 0.00 52.86 51.83 1jbz s ASN 146 Cb 0.03 -1.26 -0.04 0.00 0.41 0.00 0.00 41.25 40.40 1jbz s ASN 146 CO -0.04 0.09 0.02 -0.94 -1.51 0.00 0.00 177.10 174.71 1jbz s SER 147 N 0.64 5.06 0.81 -1.22 1.04 -1.26 -0.94 113.70 117.83 1jbz s SER 147 Ca -0.13 -0.20 -0.05 0.00 0.48 0.00 0.00 55.95 56.05 1jbz s SER 147 Cb -0.16 -1.21 0.11 0.00 0.10 0.00 0.00 66.02 64.85 1jbz s SER 147 CO 0.03 0.15 0.66 0.61 0.98 0.00 0.00 173.24 175.67 1jbz n GLY 148 N 0.35 -0.39 3.78 7.32 0.00 -0.50 -4.88 105.19 110.86 1jbz n GLY 148 Ca -0.10 -1.83 -0.35 0.00 0.00 0.00 0.00 46.02 43.73 1jbz n GLY 148 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jbz s ASN 149 N -3.52 5.83 -0.51 1.61 0.02 -1.26 -4.75 114.94 112.35 1jbz s ASN 149 Ca 0.40 2.16 -0.16 0.00 -1.02 0.00 0.00 52.86 54.25 1jbz s ASN 149 Cb -0.02 -2.58 0.11 0.00 0.02 0.00 0.00 41.25 38.78 1jbz s ASN 149 CO 0.27 -1.14 0.46 -0.69 0.02 0.00 0.00 177.10 176.02 1jbz s VAL 150 N -1.77 5.20 -0.07 1.60 1.01 -0.40 -4.54 120.40 121.43 1jbz s VAL 150 Ca 0.71 -1.34 -0.28 0.00 0.00 0.00 0.00 61.98 61.08 1jbz s VAL 150 Cb -0.24 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.87 1jbz s VAL 150 CO 0.27 -0.76 0.91 -0.31 0.00 0.00 0.00 175.10 175.21 1jbz s TYR 151 N 1.61 3.57 -0.03 5.22 2.02 -0.59 -0.66 117.35 128.48 1jbz s TYR 151 Ca 0.03 1.51 0.07 0.00 -0.37 0.00 0.00 57.07 58.32 1jbz s TYR 151 Cb -0.28 -3.06 -0.01 0.00 -0.40 0.00 0.00 41.96 38.21 1jbz s TYR 151 CO 0.04 -0.09 -0.24 0.42 -1.57 0.00 0.00 175.55 174.12 1jbz s ILE 152 N 1.43 1.89 0.03 2.71 1.01 0.09 -1.58 121.20 126.78 1jbz s ILE 152 Ca 0.46 -1.00 -0.00 0.00 0.00 0.00 0.00 60.65 60.10 1jbz s ILE 152 Cb -0.19 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 1jbz s ILE 152 CO 0.21 0.53 -0.03 0.00 0.00 0.00 0.00 174.94 175.65 1jbz s MET 153 N -0.38 0.43 0.53 2.79 0.23 -0.30 -2.12 119.30 120.49 1jbz s MET 153 Ca 0.04 -0.84 -0.19 0.00 -1.03 0.00 0.00 55.69 53.66 1jbz s MET 153 Cb -0.11 0.14 -0.06 0.00 -1.53 0.00 0.00 34.83 33.27 1jbz s MET 153 CO 0.01 -0.07 1.10 0.00 -2.03 0.00 0.00 175.02 174.03 1jbz s ALA 154 N -2.38 2.74 -0.59 3.16 0.00 -1.21 -1.04 121.76 122.44 1jbz s ALA 154 Ca -0.07 0.73 0.06 0.00 0.00 0.00 0.00 51.96 52.68 1jbz s ALA 154 Cb -0.03 -3.32 0.24 0.00 0.00 0.00 0.00 23.12 20.01 1jbz s ALA 154 CO -0.04 -0.66 0.68 -3.47 0.00 0.00 0.00 175.76 172.27 1jbz n ASP 155 N -1.29 2.92 -0.33 0.00 2.03 0.97 -4.67 116.55 116.20 1jbz n ASP 155 Ca 0.11 -3.26 0.21 0.00 0.52 0.00 0.00 54.79 52.37 1jbz n ASP 155 Cb 0.52 -0.67 0.43 0.00 -0.72 0.00 0.00 41.12 40.68 1jbz n ASP 155 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1jbz h LYS 156 N 4.22 0.27 -0.34 -0.67 6.56 -1.95 0.17 116.57 124.83 1jbz h LYS 156 Ca 0.17 -0.02 0.10 0.00 -1.06 0.00 0.00 60.65 59.84 1jbz h LYS 156 Cb 0.71 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.30 1jbz h LYS 156 CO 0.75 0.18 0.25 1.96 -2.06 0.00 0.00 179.45 180.53 1jbz h GLN 157 N 0.28 0.00 -0.17 3.15 4.20 -1.94 0.11 115.11 120.74 1jbz h GLN 157 Ca 0.69 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.40 1jbz h GLN 157 Cb 1.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.34 1jbz h GLN 157 CO -0.63 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.16 1jbz n LYS 158 N -4.41 2.68 -4.07 1.46 4.01 0.51 -4.95 118.16 113.39 1jbz n LYS 158 Ca 0.05 -2.12 -0.33 0.00 -0.51 0.00 0.00 58.31 55.41 1jbz n LYS 158 Cb 0.43 -1.33 -0.00 0.00 -0.51 0.00 0.00 35.03 33.61 1jbz n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1jbz n ASN 159 N -0.28 -3.67 0.00 4.39 5.15 0.37 -4.67 115.26 116.55 1jbz n ASN 159 Ca 0.11 -0.91 0.00 0.00 -0.60 0.00 0.00 54.58 53.17 1jbz n ASN 159 Cb 0.50 -3.27 0.00 0.00 -0.53 0.00 0.00 39.78 36.48 1jbz n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jbz n GLY 160 N -1.56 4.64 3.16 8.20 0.00 -0.95 -4.31 105.19 114.38 1jbz n GLY 160 Ca 0.03 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 1jbz n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1jbz s ILE 161 N -0.80 0.75 -0.02 -0.61 -4.36 -0.83 -0.02 121.20 115.31 1jbz s ILE 161 Ca 0.00 -1.81 0.07 0.00 -0.26 0.00 0.00 60.65 58.65 1jbz s ILE 161 Cb 0.00 -1.53 -0.02 0.00 1.25 0.00 0.00 42.46 42.16 1jbz s ILE 161 CO 0.00 -0.77 -0.24 -0.54 0.24 0.00 0.00 174.94 173.63 1jbz s LYS 162 N -3.44 2.15 -0.00 0.37 3.01 -0.21 -1.07 119.74 120.56 1jbz s LYS 162 Ca 0.09 -0.91 -0.00 0.00 -1.01 0.00 0.00 55.97 54.14 1jbz s LYS 162 Cb 0.02 -2.08 0.00 0.00 -1.01 0.00 0.00 37.83 34.76 1jbz s LYS 162 CO -0.03 0.57 0.01 0.08 0.51 0.00 0.00 175.35 176.48 1jbz s VAL 163 N -0.64 0.00 0.01 3.17 1.01 0.05 -1.15 120.40 122.86 1jbz s VAL 163 Ca 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 1jbz s VAL 163 Cb -0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 36.38 36.25 1jbz s VAL 163 CO -0.01 -0.00 -0.00 0.20 0.00 0.00 0.00 175.10 175.29 1jbz s ASN 164 N -0.00 0.17 0.02 3.32 0.01 -0.62 -1.00 114.94 116.85 1jbz s ASN 164 Ca -0.00 -0.37 -0.29 0.00 -0.71 0.00 0.00 52.86 51.49 1jbz s ASN 164 Cb -0.00 0.10 0.11 0.00 0.41 0.00 0.00 41.25 41.87 1jbz s ASN 164 CO 0.00 -0.26 1.21 0.72 -1.51 0.00 0.00 177.10 177.27 1jbz s PHE 165 N -1.19 -0.06 0.06 2.20 -0.71 -1.01 -1.55 117.98 115.72 1jbz s PHE 165 Ca -0.13 -0.09 0.09 0.00 -1.04 0.00 0.00 56.93 55.75 1jbz s PHE 165 Cb -0.08 0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 42.27 1jbz s PHE 165 CO -0.01 -0.41 -0.24 0.15 -1.34 0.00 0.00 175.22 173.38 1jbz s LYS 166 N -2.61 1.57 -0.04 1.99 1.02 -1.26 -0.59 119.74 119.82 1jbz s LYS 166 Ca 0.14 -1.08 0.07 0.00 0.02 0.00 0.00 55.97 55.12 1jbz s LYS 166 Cb 0.03 -1.76 -0.01 0.00 -0.52 0.00 0.00 37.83 35.57 1jbz s LYS 166 CO -0.02 0.45 -0.24 0.42 -0.92 0.00 0.00 175.35 175.03 1jbz s ILE 167 N -0.85 1.93 -0.29 2.17 -1.09 -0.71 -1.41 121.20 120.95 1jbz s ILE 167 Ca 0.10 -1.02 -0.06 0.00 -2.23 0.00 0.00 60.65 57.44 1jbz s ILE 167 Cb -0.10 -1.62 0.01 0.00 -1.58 0.00 0.00 42.46 39.18 1jbz s ILE 167 CO 0.03 0.54 0.07 -0.13 -1.23 0.00 0.00 174.94 174.22 1jbz s ARG 168 N -0.35 3.03 0.20 2.79 3.00 -0.11 -0.91 118.95 126.59 1jbz s ARG 168 Ca 0.03 -0.89 -0.17 0.00 0.00 0.00 0.00 55.73 54.69 1jbz s ARG 168 Cb -0.11 -3.35 -0.08 0.00 0.00 0.00 0.00 34.95 31.41 1jbz s ARG 168 CO 0.01 -0.46 0.65 -1.01 0.00 0.00 0.00 175.30 174.50 1jbz s HIS 169 N 1.48 3.62 -0.16 -0.53 3.76 0.14 -1.35 115.29 122.25 1jbz s HIS 169 Ca 0.02 1.25 -0.14 0.00 -0.15 0.00 0.00 55.06 56.04 1jbz s HIS 169 Cb -0.17 -2.51 -0.05 0.00 1.11 0.00 0.00 32.58 30.96 1jbz s HIS 169 CO 0.02 0.36 0.30 -0.80 -0.85 0.00 0.00 174.74 173.77 1jbz s ASN 170 N -1.71 6.43 0.14 1.40 0.02 -1.26 -0.07 114.94 119.88 1jbz s ASN 170 Ca 0.41 0.50 -0.02 0.00 -1.02 0.00 0.00 52.86 52.73 1jbz s ASN 170 Cb -0.16 -2.18 -0.05 0.00 0.02 0.00 0.00 41.25 38.88 1jbz s ASN 170 CO 0.20 0.09 0.34 -0.63 0.02 0.00 0.00 177.10 177.12 1jbz s ILE 171 N 0.51 5.23 0.55 0.60 1.01 -0.25 -0.82 121.20 128.04 1jbz s ILE 171 Ca 0.17 -0.18 0.24 0.00 0.00 0.00 0.00 60.65 60.87 1jbz s ILE 171 Cb -0.13 -3.65 0.34 0.00 0.01 0.00 0.00 42.46 39.03 1jbz s ILE 171 CO 0.04 0.01 2.10 1.05 0.00 0.00 0.00 174.94 178.14 1jbz h GLU 172 N 2.66 0.00 -0.11 2.79 4.11 -1.30 0.03 114.58 122.76 1jbz h GLU 172 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1jbz h GLU 172 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1jbz h GLU 172 CO 0.72 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.40 1jbz n ASP 173 N -4.19 0.73 0.00 3.06 5.68 -1.26 -4.87 116.55 115.69 1jbz n ASP 173 Ca 0.02 -1.82 0.00 0.00 -0.50 0.00 0.00 54.79 52.49 1jbz n ASP 173 Cb 0.31 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 1jbz n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jbz n GLY 174 N 0.80 2.32 2.28 6.12 0.00 -0.00 -5.06 105.19 111.65 1jbz n GLY 174 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 1jbz n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jbz n SER 175 N 0.00 -0.56 -4.12 1.61 2.88 -1.24 -4.79 113.62 107.39 1jbz n SER 175 Ca 0.00 -1.15 -0.20 0.00 -1.33 0.00 0.00 58.87 56.18 1jbz n SER 175 Cb 0.00 -0.62 -0.14 0.00 -0.75 0.00 0.00 64.21 62.70 1jbz n SER 175 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1jbz s VAL 176 N -2.58 1.04 -0.25 2.46 -7.23 -1.26 -1.09 120.40 111.50 1jbz s VAL 176 Ca 0.45 -0.84 0.03 0.00 -1.81 0.00 0.00 61.98 59.81 1jbz s VAL 176 Cb -0.02 -0.92 0.05 0.00 0.56 0.00 0.00 36.38 36.05 1jbz s VAL 176 CO 0.33 0.08 -0.12 -1.58 -0.31 0.00 0.00 175.10 173.50 1jbz s GLN 177 N -0.87 2.32 0.28 4.82 2.00 0.89 -4.89 119.66 124.21 1jbz s GLN 177 Ca 0.02 -1.24 -0.28 0.00 -2.00 0.00 0.00 55.36 51.86 1jbz s GLN 177 Cb -0.07 -2.81 -0.09 0.00 0.80 0.00 0.00 33.01 30.83 1jbz s GLN 177 CO 0.01 -0.51 0.97 -1.17 -0.50 0.00 0.00 175.29 174.08 1jbz s LEU 178 N 1.15 4.50 -0.31 3.68 2.96 -1.26 0.27 118.68 129.67 1jbz s LEU 178 Ca -0.07 1.95 0.01 0.00 -0.22 0.00 0.00 54.13 55.81 1jbz s LEU 178 Cb -0.19 -3.79 0.10 0.00 0.50 0.00 0.00 46.19 42.81 1jbz s LEU 178 CO -0.06 0.01 0.07 0.00 -1.32 0.00 0.00 176.35 175.04 1jbz s ALA 179 N -1.36 1.97 -0.17 5.97 0.00 -0.09 -0.99 121.76 127.09 1jbz s ALA 179 Ca 0.46 -1.89 -0.26 0.00 0.00 0.00 0.00 51.96 50.27 1jbz s ALA 179 Cb -0.24 -1.70 -0.01 0.00 0.00 0.00 0.00 23.12 21.16 1jbz s ALA 179 CO 0.30 -1.63 0.86 -0.51 0.00 0.00 0.00 175.76 174.79 1jbz s ASP 180 N 1.39 6.98 -0.17 0.00 1.01 -0.13 -1.73 116.67 124.02 1jbz s ASP 180 Ca 0.09 1.21 -0.06 0.00 0.71 0.00 0.00 52.55 54.50 1jbz s ASP 180 Cb -0.18 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 1jbz s ASP 180 CO -0.18 -0.43 0.02 -1.00 0.21 0.00 0.00 175.17 173.78 1jbz s HIS 181 N 2.26 3.15 -0.08 4.23 3.76 0.25 -0.27 115.29 128.59 1jbz s HIS 181 Ca 0.39 -0.10 0.04 0.00 -0.15 0.00 0.00 55.06 55.24 1jbz s HIS 181 Cb -0.16 -2.03 0.00 0.00 1.11 0.00 0.00 32.58 31.50 1jbz s HIS 181 CO 0.12 0.06 -0.20 0.71 -0.85 0.00 0.00 174.74 174.58 1jbz s TYR 182 N 0.39 2.20 0.01 1.40 2.02 -0.24 -2.42 117.35 120.72 1jbz s TYR 182 Ca -0.00 -0.85 -0.06 0.00 -0.37 0.00 0.00 57.07 55.79 1jbz s TYR 182 Cb -0.13 -1.49 -0.01 0.00 -0.40 0.00 0.00 41.96 39.93 1jbz s TYR 182 CO 0.01 -0.35 0.10 -1.14 -1.57 0.00 0.00 175.55 172.60 1jbz s GLN 183 N 0.37 0.48 -0.00 -0.62 0.74 -0.17 -1.40 119.66 119.06 1jbz s GLN 183 Ca -0.16 -0.52 0.01 0.00 0.05 0.00 0.00 55.36 54.75 1jbz s GLN 183 Cb -0.17 0.19 -0.00 0.00 1.10 0.00 0.00 33.01 34.13 1jbz s GLN 183 CO 0.07 -0.11 -0.04 -1.14 -0.55 0.00 0.00 175.29 173.52 1jbz s GLN 184 N -1.66 0.30 -0.05 1.67 0.74 -0.23 -0.77 119.66 119.66 1jbz s GLN 184 Ca -0.13 -0.12 0.04 0.00 0.05 0.00 0.00 55.36 55.19 1jbz s GLN 184 Cb -0.07 -0.29 0.00 0.00 1.10 0.00 0.00 33.01 33.75 1jbz s GLN 184 CO -0.00 0.07 -0.16 -0.80 -0.55 0.00 0.00 175.29 173.85 1jbz s ASN 185 N -0.05 2.06 -0.00 6.67 -0.87 -0.23 -0.84 114.94 121.67 1jbz s ASN 185 Ca 0.01 -0.34 0.03 0.00 -1.57 0.00 0.00 52.86 50.99 1jbz s ASN 185 Cb -0.02 -0.68 -0.01 0.00 -0.02 0.00 0.00 41.25 40.52 1jbz s ASN 185 CO -0.00 0.12 -0.09 0.42 -2.57 0.00 0.00 177.10 174.98 1jbz s THR 186 N 0.21 0.72 0.61 1.60 -4.23 -0.56 -1.96 115.64 112.03 1jbz s THR 186 Ca -0.07 -0.43 -0.18 0.00 -1.18 0.00 0.00 61.69 59.83 1jbz s THR 186 Cb -0.13 -0.61 -0.03 0.00 1.34 0.00 0.00 72.50 73.08 1jbz s THR 186 CO 0.03 0.18 1.21 -2.16 -0.54 0.00 0.00 174.62 173.33 1jbz s PRO 187 N -0.29 2.88 -0.05 3.99 0.04 -1.26 -0.10 135.00 140.21 1jbz s PRO 187 Ca 0.03 1.81 0.05 0.00 0.04 0.00 0.00 61.00 62.93 1jbz s PRO 187 Cb -0.04 -1.92 -0.24 0.00 0.04 0.00 0.00 34.50 32.34 1jbz s PRO 187 CO -0.00 -1.28 0.63 0.82 0.04 0.00 0.00 177.00 177.21 1jbz h ILE 188 N 0.73 0.85 -4.24 0.56 2.04 -1.16 -3.44 117.51 112.85 1jbz h ILE 188 Ca -0.50 -2.64 -0.46 0.00 1.00 0.00 0.00 64.86 62.25 1jbz h ILE 188 Cb 1.30 2.50 0.09 0.00 -0.74 0.00 0.00 36.82 39.97 1jbz h ILE 188 CO 0.54 0.66 0.33 -0.83 0.00 0.00 0.00 178.15 178.85 1jbz s GLY 189 N -5.21 1.63 0.00 5.37 0.00 -1.26 -5.02 107.32 102.84 1jbz s GLY 189 Ca -0.10 -0.77 0.22 0.00 0.00 0.00 0.00 44.72 44.08 1jbz s GLY 189 CO 0.81 -0.31 1.08 1.22 0.00 0.00 0.00 173.10 175.90 1jbz n ASP 190 N -3.14 1.18 -4.65 1.64 9.92 -1.26 -4.99 116.55 115.25 1jbz n ASP 190 Ca 0.08 -1.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.05 1jbz n ASP 190 Cb 0.61 0.68 0.18 0.00 -0.64 0.00 0.00 41.12 41.95 1jbz n ASP 190 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1jbz s GLY 191 N -2.83 1.58 0.47 0.44 0.00 -1.26 -4.98 107.32 100.74 1jbz s GLY 191 Ca 0.12 -0.19 -0.22 0.00 0.00 0.00 0.00 44.72 44.43 1jbz s GLY 191 CO 0.74 0.40 1.16 2.56 0.00 0.00 0.00 173.10 177.95 1jbz s PRO 192 N -4.85 3.72 0.24 2.90 0.04 -1.26 -5.05 135.00 130.74 1jbz s PRO 192 Ca 0.65 1.74 0.05 0.00 0.04 0.00 0.00 61.00 63.49 1jbz s PRO 192 Cb -0.20 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.94 1jbz s PRO 192 CO 0.59 -0.58 -0.04 0.14 0.04 0.00 0.00 177.00 177.15 1jbz s VAL 193 N -1.58 1.31 -0.24 -0.36 -7.23 -1.26 -4.80 120.40 106.23 1jbz s VAL 193 Ca 0.65 -2.08 -0.22 0.00 -1.81 0.00 0.00 61.98 58.52 1jbz s VAL 193 Cb -0.28 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 1jbz s VAL 193 CO 0.33 -0.38 0.69 -0.76 -0.31 0.00 0.00 175.10 174.67 1jbz s LEU 194 N -3.34 4.08 -0.30 1.32 1.43 -1.26 -5.03 118.68 115.58 1jbz s LEU 194 Ca 0.27 0.82 -0.13 0.00 -1.03 0.00 0.00 54.13 54.06 1jbz s LEU 194 Cb 0.04 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 1jbz s LEU 194 CO 0.09 -0.39 0.27 -0.76 0.23 0.00 0.00 176.35 175.79 1jbz s LEU 195 N 2.50 4.21 0.43 1.79 1.43 -1.26 -3.98 118.68 123.81 1jbz s LEU 195 Ca 0.29 -0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1jbz s LEU 195 Cb -0.15 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.82 1jbz s LEU 195 CO 0.09 -0.17 0.66 -2.16 0.23 0.00 0.00 176.35 174.99 1jbz s PRO 196 N 1.87 3.22 0.79 1.29 0.04 -1.26 -4.92 135.00 136.02 1jbz s PRO 196 Ca 0.09 -0.36 -0.12 0.00 0.04 0.00 0.00 61.00 60.66 1jbz s PRO 196 Cb -0.16 -2.56 0.07 0.00 0.04 0.00 0.00 34.50 31.89 1jbz s PRO 196 CO 0.11 -0.17 1.13 -0.51 0.04 0.00 0.00 177.00 177.60 1jbz s ASP 197 N -4.16 4.64 0.33 6.66 1.01 -1.26 -3.30 116.67 120.59 1jbz s ASP 197 Ca 0.46 1.02 -0.29 0.00 0.71 0.00 0.00 52.55 54.46 1jbz s ASP 197 Cb -0.10 -1.67 -0.11 0.00 1.01 0.00 0.00 42.92 42.05 1jbz s ASP 197 CO 0.38 -1.84 1.44 0.20 0.21 0.00 0.00 175.17 175.56 1jbz s ASN 198 N -4.29 6.53 0.18 0.27 0.01 -1.26 -4.77 114.94 111.60 1jbz s ASN 198 Ca 0.61 2.87 -0.13 0.00 -0.71 0.00 0.00 52.86 55.49 1jbz s ASN 198 Cb -0.12 -2.65 0.05 0.00 0.41 0.00 0.00 41.25 38.94 1jbz s ASN 198 CO 0.52 -0.75 0.66 0.00 -1.51 0.00 0.00 177.10 176.02 1jbz n HIS 199 N 1.10 -1.40 -3.90 2.20 1.44 -0.90 -4.88 115.22 108.89 1jbz n HIS 199 Ca 0.03 -1.02 -0.09 0.00 -2.01 0.00 0.00 57.72 54.63 1jbz n HIS 199 Cb 0.40 0.50 -0.07 0.00 0.12 0.00 0.00 29.99 30.94 1jbz n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1jbz s TYR 200 N -3.62 0.24 0.05 -1.40 -0.85 -0.83 -0.73 117.35 110.21 1jbz s TYR 200 Ca 0.14 -0.66 0.05 0.00 -0.52 0.00 0.00 57.07 56.08 1jbz s TYR 200 Cb -0.02 -0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.20 1jbz s TYR 200 CO 0.05 -0.58 -0.05 -0.51 -1.52 0.00 0.00 175.55 172.94 1jbz s LEU 201 N -2.89 3.24 -0.13 -3.49 1.43 0.16 -0.51 118.68 116.49 1jbz s LEU 201 Ca 0.08 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1jbz s LEU 201 Cb 0.05 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1jbz s LEU 201 CO -0.08 0.23 -0.21 -0.55 0.23 0.00 0.00 176.35 175.97 1jbz s SER 202 N -1.87 3.25 0.12 2.29 0.15 0.12 -1.27 113.70 116.48 1jbz s SER 202 Ca 0.21 -0.55 0.05 0.00 0.70 0.00 0.00 55.95 56.36 1jbz s SER 202 Cb -0.11 -1.46 -0.04 0.00 -1.71 0.00 0.00 66.02 62.70 1jbz s SER 202 CO 0.12 0.11 -0.13 0.00 1.20 0.00 0.00 173.24 174.54 1jbz s GLN 204 N -2.68 0.45 0.22 0.00 -2.07 0.26 -4.76 119.66 111.07 1jbz s GLN 204 Ca 0.08 0.11 -0.07 0.00 -1.82 0.00 0.00 55.36 53.66 1jbz s GLN 204 Cb -0.05 0.21 -0.02 0.00 -1.09 0.00 0.00 33.01 32.06 1jbz s GLN 204 CO 0.02 -0.09 0.30 -1.54 -1.32 0.00 0.00 175.29 172.66 1jbz s SER 205 N -0.50 0.03 -0.05 12.60 1.04 -1.26 -0.26 113.70 125.30 1jbz s SER 205 Ca -0.06 -1.17 -0.02 0.00 0.48 0.00 0.00 55.95 55.18 1jbz s SER 205 Cb -0.04 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.60 1jbz s SER 205 CO 0.02 -0.98 0.11 0.00 0.98 0.00 0.00 173.24 173.36 1jbz s ALA 206 N -4.09 -0.09 -0.14 5.32 0.00 0.43 -4.98 121.76 118.21 1jbz s ALA 206 Ca 0.31 0.49 -0.08 0.00 0.00 0.00 0.00 51.96 52.69 1jbz s ALA 206 Cb 0.03 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1jbz s ALA 206 CO 0.10 -0.27 0.12 -0.51 0.00 0.00 0.00 175.76 175.21 1jbz s LEU 207 N 1.51 4.26 0.00 0.00 1.43 -1.26 -1.34 118.68 123.28 1jbz s LEU 207 Ca -0.05 0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.44 1jbz s LEU 207 Cb -0.12 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 1jbz s LEU 207 CO -0.05 0.33 0.15 -1.54 0.23 0.00 0.00 176.35 175.48 1jbz n SER 208 N 2.50 -0.40 -4.21 2.29 3.41 0.57 -4.98 113.62 112.81 1jbz n SER 208 Ca -0.19 -1.91 -0.21 0.00 -0.26 0.00 0.00 58.87 56.31 1jbz n SER 208 Cb 0.54 0.84 -0.13 0.00 -0.26 0.00 0.00 64.21 65.21 1jbz n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1jbz s LYS 209 N -2.51 0.97 -0.56 4.33 -0.14 -1.26 -1.32 119.74 119.25 1jbz s LYS 209 Ca 0.16 -0.98 -0.22 0.00 -1.36 0.00 0.00 55.97 53.57 1jbz s LYS 209 Cb 0.00 -1.07 0.05 0.00 -1.68 0.00 0.00 37.83 35.14 1jbz s LYS 209 CO 0.11 0.25 0.86 0.34 -0.76 0.00 0.00 175.35 176.15 1jbz s ASP 210 N -1.63 6.28 0.54 2.83 -1.08 -1.26 -4.92 116.67 117.43 1jbz s ASP 210 Ca 0.02 -0.62 0.35 0.00 -0.52 0.00 0.00 52.55 51.78 1jbz s ASP 210 Cb -0.09 -2.39 1.53 0.00 -1.46 0.00 0.00 42.92 40.50 1jbz s ASP 210 CO 0.03 -1.18 1.83 1.55 0.52 0.00 0.00 175.17 177.92 1jbz h PRO 211 N 9.27 0.00 -0.63 4.34 0.13 -2.03 0.17 132.00 143.25 1jbz h PRO 211 Ca -0.27 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1jbz h PRO 211 Cb 1.08 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1jbz h PRO 211 CO 1.07 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.93 1jbz n ASN 212 N -4.21 3.53 -4.65 1.44 5.03 -1.26 -4.91 115.26 110.23 1jbz n ASN 212 Ca 0.23 -1.99 -0.36 0.00 0.87 0.00 0.00 54.58 53.33 1jbz n ASN 212 Cb 1.15 -0.42 -0.10 0.00 -1.02 0.00 0.00 39.78 39.40 1jbz n ASN 212 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1jbz s GLU 213 N -1.17 4.05 0.02 3.52 2.56 0.58 -4.96 118.70 123.31 1jbz s GLU 213 Ca 0.44 -0.28 0.22 0.00 0.00 0.00 0.00 54.97 55.35 1jbz s GLU 213 Cb 0.23 -3.50 -0.15 0.00 2.00 0.00 0.00 34.13 32.71 1jbz s GLU 213 CO 0.31 0.08 0.81 1.63 -0.56 0.00 0.00 175.26 177.52 1jbz n LYS 214 N 4.22 0.39 -1.86 4.30 5.02 -1.26 -4.89 118.16 124.07 1jbz n LYS 214 Ca -0.15 -0.06 -0.31 0.00 -2.02 0.00 0.00 58.31 55.76 1jbz n LYS 214 Cb 0.52 -1.57 0.01 0.00 -0.02 0.00 0.00 35.03 33.98 1jbz n LYS 214 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1jbz s ARG 215 N -3.29 3.48 0.01 1.97 0.52 -1.26 -4.97 118.95 115.42 1jbz s ARG 215 Ca 0.00 0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 55.73 1jbz s ARG 215 Cb 0.14 -2.06 -0.06 0.00 0.52 0.00 0.00 34.95 33.48 1jbz s ARG 215 CO 0.85 -0.66 1.55 0.34 0.02 0.00 0.00 175.30 177.41 1jbz s ASP 216 N -3.97 6.71 0.36 0.23 2.15 -1.26 -4.94 116.67 115.95 1jbz s ASP 216 Ca 0.56 2.28 -0.13 0.00 0.43 0.00 0.00 52.55 55.69 1jbz s ASP 216 Cb -0.12 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 39.98 1jbz s ASP 216 CO 0.52 -0.83 0.68 -1.38 -0.17 0.00 0.00 175.17 173.99 1jbz s HIS 217 N 2.90 0.35 -0.15 -5.34 -3.43 -1.26 -1.38 115.29 106.98 1jbz s HIS 217 Ca 0.70 -0.88 -0.11 0.00 -0.80 0.00 0.00 55.06 53.97 1jbz s HIS 217 Cb -0.35 0.55 0.04 0.00 -1.43 0.00 0.00 32.58 31.40 1jbz s HIS 217 CO 0.29 -1.40 0.37 1.41 -2.00 0.00 0.00 174.74 173.42 1jbz s MET 218 N -2.75 0.40 -0.10 -0.38 1.75 -0.29 -4.95 119.30 112.99 1jbz s MET 218 Ca 0.19 0.60 -0.02 0.00 -1.25 0.00 0.00 55.69 55.21 1jbz s MET 218 Cb -0.04 0.11 -0.03 0.00 2.84 0.00 0.00 34.83 37.71 1jbz s MET 218 CO 0.13 -0.09 0.00 0.08 -0.65 0.00 0.00 175.02 174.49 1jbz s VAL 219 N 0.67 4.29 -0.03 10.11 1.01 -0.43 -0.22 120.40 135.79 1jbz s VAL 219 Ca -0.04 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.72 1jbz s VAL 219 Cb -0.05 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.52 1jbz s VAL 219 CO -0.04 0.59 -0.09 -0.22 0.00 0.00 0.00 175.10 175.34 1jbz s LEU 220 N -0.72 1.73 -0.10 3.92 2.96 0.44 -0.31 118.68 126.59 1jbz s LEU 220 Ca 0.11 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 1jbz s LEU 220 Cb -0.12 -0.57 0.01 0.00 0.50 0.00 0.00 46.19 46.01 1jbz s LEU 220 CO 0.02 0.05 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.70 1jbz s LEU 221 N 0.31 1.88 -0.00 -0.68 2.96 -0.45 -1.52 118.68 121.18 1jbz s LEU 221 Ca -0.05 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.38 1jbz s LEU 221 Cb -0.10 -1.19 -0.00 0.00 0.50 0.00 0.00 46.19 45.40 1jbz s LEU 221 CO 0.01 0.07 0.02 -0.70 -1.32 0.00 0.00 176.35 174.43 1jbz s GLU 222 N 0.71 0.09 -0.04 1.98 2.12 -0.65 -0.43 118.70 122.47 1jbz s GLU 222 Ca -0.12 -0.10 0.03 0.00 0.36 0.00 0.00 54.97 55.14 1jbz s GLU 222 Cb -0.16 0.04 0.01 0.00 0.26 0.00 0.00 34.13 34.27 1jbz s GLU 222 CO 0.02 -0.02 -0.11 -0.06 -0.54 0.00 0.00 175.26 174.56 1jbz s PHE 223 N -0.30 1.20 -0.01 5.30 0.08 0.64 -1.35 117.98 123.54 1jbz s PHE 223 Ca -0.03 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.66 1jbz s PHE 223 Cb -0.02 -0.87 0.01 0.00 -0.57 0.00 0.00 43.02 41.57 1jbz s PHE 223 CO -0.00 -0.17 0.01 0.08 -0.10 0.00 0.00 175.22 175.04 1jbz s VAL 224 N 0.37 0.01 -0.00 -0.44 1.01 -0.11 -0.58 120.40 120.66 1jbz s VAL 224 Ca -0.07 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1jbz s VAL 224 Cb -0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 1jbz s VAL 224 CO 0.02 0.05 -0.07 -0.89 0.00 0.00 0.00 175.10 174.20 1jbz s THR 225 N 0.44 0.57 0.39 3.92 2.01 -0.50 -1.13 115.64 121.35 1jbz s THR 225 Ca -0.04 -0.36 -0.18 0.00 0.31 0.00 0.00 61.69 61.42 1jbz s THR 225 Cb -0.06 -0.49 -0.10 0.00 0.01 0.00 0.00 72.50 71.86 1jbz s THR 225 CO -0.01 0.13 0.86 0.00 -0.69 0.00 0.00 174.62 174.90 1jbz s ALA 226 N -0.24 3.17 0.30 7.40 0.00 -0.41 0.13 121.76 132.11 1jbz s ALA 226 Ca 0.02 0.22 -0.10 0.00 0.00 0.00 0.00 51.96 52.10 1jbz s ALA 226 Cb -0.03 -2.97 0.04 0.00 0.00 0.00 0.00 23.12 20.15 1jbz s ALA 226 CO -0.00 0.19 0.58 0.00 0.00 0.00 0.00 175.76 176.53 1jbz n ALA 227 N -0.60 -1.23 -0.30 0.00 0.00 0.34 -4.58 120.51 114.13 1jbz n ALA 227 Ca 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.46 1jbz n ALA 227 Cb 0.54 0.82 0.00 0.00 0.00 0.00 0.00 19.45 20.81 1jbz n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jbz n GLY 228 N -0.42 0.84 0.00 0.00 0.00 -1.26 -1.97 105.19 102.38 1jbz n GLY 228 Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1jbz n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71