#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbj n ASP 2 N 0.00 -2.09 -1.60 -2.24 -0.08 -1.26 -5.13 116.55 104.15 1jbj n ASP 2 Ca 0.00 -1.61 0.00 0.00 -1.51 0.00 0.00 54.79 51.67 1jbj n ASP 2 Cb 0.00 1.07 0.00 0.00 2.34 0.00 0.00 41.12 44.53 1jbj n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jbj n ALA 3 N 2.65 -2.12 -1.96 -1.67 0.00 -1.26 -4.89 120.51 111.25 1jbj n ALA 3 Ca 0.13 0.42 -0.41 0.00 0.00 0.00 0.00 53.44 53.58 1jbj n ALA 3 Cb 0.62 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.69 1jbj n ALA 3 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1jbj s GLU 4 N -2.66 4.74 -0.35 0.00 -1.05 -1.26 -4.94 118.70 113.18 1jbj s GLU 4 Ca 0.00 1.55 0.04 0.00 -0.15 0.00 0.00 54.97 56.42 1jbj s GLU 4 Cb 0.00 -3.30 0.22 0.00 -0.44 0.00 0.00 34.13 30.61 1jbj s GLU 4 CO 0.00 0.31 1.21 0.09 0.95 0.00 0.00 175.26 177.83 1jbj n ASN 5 N 2.01 -1.44 -4.93 0.83 3.02 -1.26 -5.11 115.26 108.38 1jbj n ASN 5 Ca 0.00 -2.09 -0.23 0.00 -0.03 0.00 0.00 54.58 52.24 1jbj n ASN 5 Cb 0.47 1.15 0.00 0.00 -0.61 0.00 0.00 39.78 40.80 1jbj n ASN 5 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jbj s ILE 6 N 0.09 2.09 0.33 2.41 -1.09 -1.26 -5.14 121.20 118.62 1jbj s ILE 6 Ca 0.14 -1.32 0.07 0.00 -2.23 0.00 0.00 60.65 57.31 1jbj s ILE 6 Cb 0.21 -2.41 -0.02 0.00 -1.58 0.00 0.00 42.46 38.67 1jbj s ILE 6 CO -0.08 0.00 0.34 -1.61 -1.23 0.00 0.00 174.94 172.36 1jbj s GLU 7 N -4.33 2.87 0.28 2.79 0.41 -1.26 -4.70 118.70 114.76 1jbj s GLU 7 Ca 0.45 -1.18 -0.29 0.00 -0.41 0.00 0.00 54.97 53.54 1jbj s GLU 7 Cb -0.03 -2.59 -0.10 0.00 -1.78 0.00 0.00 34.13 29.63 1jbj s GLU 7 CO 0.28 0.11 1.19 0.71 -0.49 0.00 0.00 175.26 177.05 1jbj s TYR 8 N -2.25 3.38 -0.17 1.61 1.51 -1.26 -4.63 117.35 115.55 1jbj s TYR 8 Ca 0.41 1.55 0.01 0.00 -1.01 0.00 0.00 57.07 58.04 1jbj s TYR 8 Cb -0.07 -3.44 0.01 0.00 -0.11 0.00 0.00 41.96 38.35 1jbj s TYR 8 CO 0.28 -1.10 -0.19 0.15 -1.11 0.00 0.00 175.55 173.58 1jbj s LYS 9 N -1.31 3.06 -0.05 -0.62 1.02 -1.02 -4.88 119.74 115.94 1jbj s LYS 9 Ca 0.48 -0.81 0.04 0.00 0.02 0.00 0.00 55.97 55.70 1jbj s LYS 9 Cb -0.35 -2.58 -0.03 0.00 -0.52 0.00 0.00 37.83 34.36 1jbj s LYS 9 CO 0.44 -0.13 -0.15 0.08 -0.92 0.00 0.00 175.35 174.66 1jbj s VAL 10 N 1.12 2.98 -0.22 3.17 1.01 -1.26 0.14 120.40 127.34 1jbj s VAL 10 Ca 0.01 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 1jbj s VAL 10 Cb -0.14 -2.16 0.10 0.00 0.00 0.00 0.00 36.38 34.19 1jbj s VAL 10 CO -0.08 0.59 0.45 -0.44 0.00 0.00 0.00 175.10 175.62 1jbj s SER 11 N -0.73 -0.37 -0.19 3.32 0.01 -0.46 -4.94 113.70 110.34 1jbj s SER 11 Ca 0.11 1.00 -0.25 0.00 1.31 0.00 0.00 55.95 58.13 1jbj s SER 11 Cb -0.11 1.49 -0.01 0.00 0.21 0.00 0.00 66.02 67.60 1jbj s SER 11 CO 0.00 -0.24 0.82 -0.63 0.41 0.00 0.00 173.24 173.60 1jbj s ILE 12 N 2.66 4.88 -0.25 1.44 1.09 -1.26 -1.06 121.20 128.70 1jbj s ILE 12 Ca -0.00 1.59 0.02 0.00 -1.10 0.00 0.00 60.65 61.15 1jbj s ILE 12 Cb -0.12 -4.12 0.06 0.00 -1.06 0.00 0.00 42.46 37.22 1jbj s ILE 12 CO -0.14 0.01 -0.06 -0.44 -0.10 0.00 0.00 174.94 174.21 1jbj s SER 13 N 1.19 4.14 -1.09 3.58 0.01 0.61 -4.82 113.70 117.32 1jbj s SER 13 Ca 0.37 -1.35 -0.10 0.00 1.31 0.00 0.00 55.95 56.18 1jbj s SER 13 Cb -0.16 -1.33 -0.05 0.00 0.21 0.00 0.00 66.02 64.69 1jbj s SER 13 CO 0.11 -0.24 0.88 0.61 0.41 0.00 0.00 173.24 175.01 1jbj n GLY 14 N 4.56 -1.04 2.85 3.44 0.00 -1.26 -1.75 105.19 112.00 1jbj n GLY 14 Ca -0.11 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1jbj n GLY 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jbj n THR 15 N -3.59 0.00 -4.87 2.61 -1.04 -1.26 -4.87 114.28 101.26 1jbj n THR 15 Ca -0.10 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.59 1jbj n THR 15 Cb 0.62 -0.82 -0.16 0.00 -1.82 0.00 0.00 70.33 68.15 1jbj n THR 15 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1jbj s SER 16 N -2.00 3.43 0.24 8.00 0.01 -0.72 -0.74 113.70 121.93 1jbj s SER 16 Ca 0.00 -0.49 -0.13 0.00 1.31 0.00 0.00 55.95 56.64 1jbj s SER 16 Cb 0.00 -1.50 -0.08 0.00 0.21 0.00 0.00 66.02 64.66 1jbj s SER 16 CO 0.00 0.13 0.62 -0.69 0.41 0.00 0.00 173.24 173.71 1jbj s VAL 17 N 0.53 4.82 -0.27 3.43 1.01 0.29 0.22 120.40 130.44 1jbj s VAL 17 Ca -0.12 0.73 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 1jbj s VAL 17 Cb -0.16 -3.65 0.09 0.00 0.00 0.00 0.00 36.38 32.65 1jbj s VAL 17 CO 0.04 -0.04 0.10 -1.61 0.00 0.00 0.00 175.10 173.60 1jbj s GLU 18 N -2.67 0.37 0.22 2.72 2.02 -0.22 0.15 118.70 121.29 1jbj s GLU 18 Ca 0.48 -0.60 -0.09 0.00 0.02 0.00 0.00 54.97 54.78 1jbj s GLU 18 Cb -0.12 -1.59 -0.07 0.00 0.10 0.00 0.00 34.13 32.46 1jbj s GLU 18 CO 0.20 -0.92 0.53 -0.51 0.02 0.00 0.00 175.26 174.58 1jbj s LEU 19 N 1.95 4.18 -0.20 1.80 1.43 0.26 -1.35 118.68 126.75 1jbj s LEU 19 Ca 0.07 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.07 1jbj s LEU 19 Cb -0.16 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.44 1jbj s LEU 19 CO -0.27 -0.05 -0.16 -0.89 0.23 0.00 0.00 176.35 175.21 1jbj s THR 20 N -1.79 2.31 0.16 5.49 2.01 0.37 -0.64 115.64 123.54 1jbj s THR 20 Ca 0.46 -0.97 -0.28 0.00 0.31 0.00 0.00 61.69 61.21 1jbj s THR 20 Cb -0.11 -2.04 -0.07 0.00 0.01 0.00 0.00 72.50 70.28 1jbj s THR 20 CO 0.21 0.43 0.89 0.00 -0.69 0.00 0.00 174.62 175.46 1jbj n PRO 22 N 2.09 0.46 -4.99 0.00 -0.04 -1.26 -4.59 135.00 126.66 1jbj n PRO 22 Ca -0.02 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.13 1jbj n PRO 22 Cb 0.48 -1.36 -0.17 0.00 -0.04 0.00 0.00 33.50 32.42 1jbj n PRO 22 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jbj s LEU 23 N -1.72 2.03 1.07 1.53 1.43 -1.26 -4.62 118.68 117.14 1jbj s LEU 23 Ca 0.16 -0.54 -0.23 0.00 -1.03 0.00 0.00 54.13 52.50 1jbj s LEU 23 Cb 0.07 -1.34 -0.02 0.00 0.03 0.00 0.00 46.19 44.93 1jbj s LEU 23 CO 0.12 0.12 -0.64 -0.90 0.23 0.00 0.00 176.35 175.28 1jbj n ASP 24 N 3.71 -2.65 -4.37 2.29 5.68 -1.26 -4.58 116.55 115.38 1jbj n ASP 24 Ca -0.20 -0.08 -0.46 0.00 -0.50 0.00 0.00 54.79 53.56 1jbj n ASP 24 Cb 0.52 -0.77 -0.03 0.00 -1.14 0.00 0.00 41.12 39.71 1jbj n ASP 24 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1jbj s SER 25 N -1.49 6.52 0.61 -1.12 1.04 -1.26 -4.63 113.70 113.37 1jbj s SER 25 Ca 0.48 -2.12 -0.05 0.00 0.48 0.00 0.00 55.95 54.74 1jbj s SER 25 Cb -0.02 -2.28 0.03 0.00 0.10 0.00 0.00 66.02 63.84 1jbj s SER 25 CO 0.66 -0.86 0.90 -1.81 0.98 0.00 0.00 173.24 173.11 1jbj s ASP 26 N 3.04 5.35 0.00 7.02 1.01 -1.26 -4.90 116.67 126.93 1jbj s ASP 26 Ca 0.18 0.52 0.00 0.00 0.71 0.00 0.00 52.55 53.96 1jbj s ASP 26 Cb -0.15 -1.42 0.00 0.00 1.01 0.00 0.00 42.92 42.36 1jbj s ASP 26 CO -0.04 -1.20 0.91 -0.62 0.21 0.00 0.00 175.17 174.43 1jbj n GLU 27 N -2.61 0.84 -0.44 8.23 1.02 -1.26 -2.40 120.64 124.02 1jbj n GLU 27 Ca 0.06 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1jbj n GLU 27 Cb 0.59 -1.08 -0.00 0.00 -0.02 0.00 0.00 31.44 30.93 1jbj n GLU 27 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jbj n ASN 28 N 0.66 -0.04 -4.77 1.62 3.02 -1.26 -5.09 115.26 109.40 1jbj n ASN 28 Ca 0.00 -0.88 -0.39 0.00 -0.03 0.00 0.00 54.58 53.28 1jbj n ASN 28 Cb 0.42 0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.54 1jbj n ASN 28 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1jbj s LEU 29 N 0.00 4.57 0.09 3.41 2.96 -1.01 -4.30 118.68 124.40 1jbj s LEU 29 Ca 0.00 1.76 -0.02 0.00 -0.22 0.00 0.00 54.13 55.65 1jbj s LEU 29 Cb 0.00 -3.50 -0.04 0.00 0.50 0.00 0.00 46.19 43.15 1jbj s LEU 29 CO 0.00 0.15 0.03 -0.54 -1.32 0.00 0.00 176.35 174.68 1jbj s LYS 30 N -1.31 0.77 0.40 1.98 1.02 -1.06 -2.03 119.74 119.51 1jbj s LYS 30 Ca 0.40 -1.28 0.08 0.00 0.02 0.00 0.00 55.97 55.18 1jbj s LYS 30 Cb -0.23 0.24 -0.07 0.00 -0.52 0.00 0.00 37.83 37.24 1jbj s LYS 30 CO 0.28 -0.19 0.01 -1.58 -0.92 0.00 0.00 175.35 172.94 1jbj s TRP 31 N -3.97 2.51 -0.25 3.18 0.52 -1.12 -2.38 118.94 117.43 1jbj s TRP 31 Ca 0.14 -0.62 -0.13 0.00 0.02 0.00 0.00 56.10 55.51 1jbj s TRP 31 Cb 0.07 -1.71 0.08 0.00 -1.15 0.00 0.00 33.47 30.76 1jbj s TRP 31 CO -0.05 0.45 0.59 -2.00 0.02 0.00 0.00 176.95 175.96 1jbj s GLU 32 N -3.71 0.58 0.11 4.98 2.12 -0.24 -2.02 118.70 120.51 1jbj s GLU 32 Ca 0.35 1.14 -0.00 0.00 0.36 0.00 0.00 54.97 56.82 1jbj s GLU 32 Cb 0.08 0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.65 1jbj s GLU 32 CO 0.18 -0.17 0.27 0.21 -0.54 0.00 0.00 175.26 175.21 1jbj s LYS 33 N 1.85 3.47 0.56 4.30 2.20 -0.66 -1.54 119.74 129.92 1jbj s LYS 33 Ca -0.09 -0.41 0.37 0.00 -0.36 0.00 0.00 55.97 55.48 1jbj s LYS 33 Cb -0.07 -2.98 1.52 0.00 -1.51 0.00 0.00 37.83 34.79 1jbj s LYS 33 CO -0.17 0.55 1.74 -0.97 -0.36 0.00 0.00 175.35 176.14 1jbj h ASN 34 N 2.74 0.00 0.00 1.43 -1.24 -1.68 -2.85 115.58 113.97 1jbj h ASN 34 Ca -0.46 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.55 1jbj h ASN 34 Cb 1.17 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.22 1jbj h ASN 34 CO 0.73 0.00 -0.07 1.23 -1.29 0.00 0.00 177.43 178.04 1jbj h GLY 35 N 0.00 0.00 -4.19 1.57 0.00 -1.93 -3.49 103.07 95.02 1jbj h GLY 35 Ca 0.57 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.56 1jbj h GLY 35 CO -0.01 0.00 -0.75 1.20 0.00 0.00 0.00 176.54 176.99 1jbj s GLN 36 N -1.20 0.76 0.35 4.80 -0.21 -1.08 -5.09 119.66 118.00 1jbj s GLN 36 Ca -0.02 -1.00 -0.26 0.00 0.02 0.00 0.00 55.36 54.10 1jbj s GLN 36 Cb 0.00 -0.56 -0.09 0.00 1.00 0.00 0.00 33.01 33.36 1jbj s GLN 36 CO 0.03 0.10 1.07 -1.83 -2.12 0.00 0.00 175.29 172.54 1jbj s GLU 37 N -2.18 4.35 -0.39 2.91 -1.05 -1.26 -1.65 118.70 119.43 1jbj s GLU 37 Ca -0.01 1.64 -0.06 0.00 -0.15 0.00 0.00 54.97 56.39 1jbj s GLU 37 Cb -0.07 -2.81 0.08 0.00 -0.44 0.00 0.00 34.13 30.89 1jbj s GLU 37 CO 0.01 -0.00 0.18 -0.51 0.95 0.00 0.00 175.26 175.89 1jbj s LEU 38 N -2.15 4.88 0.90 1.83 1.43 -0.86 -4.85 118.68 119.86 1jbj s LEU 38 Ca 0.52 -1.60 -0.13 0.00 -1.03 0.00 0.00 54.13 51.90 1jbj s LEU 38 Cb -0.26 -1.88 0.17 0.00 0.03 0.00 0.00 46.19 44.25 1jbj s LEU 38 CO 0.33 -0.47 1.25 -2.16 0.23 0.00 0.00 176.35 175.53 1jbj s PRO 39 N 1.30 0.97 -1.63 1.29 0.04 -1.26 -2.79 135.00 132.92 1jbj s PRO 39 Ca 0.03 -0.47 0.00 0.00 0.04 0.00 0.00 61.00 60.60 1jbj s PRO 39 Cb -0.22 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1jbj s PRO 39 CO -0.00 -2.15 0.00 1.04 0.04 0.00 0.00 177.00 175.92 1jbj n GLN 40 N -3.56 -1.79 -3.06 4.56 3.00 -1.26 -4.90 117.38 110.38 1jbj n GLN 40 Ca 0.14 0.92 -0.36 0.00 -0.01 0.00 0.00 57.00 57.69 1jbj n GLN 40 Cb 0.60 -5.54 -0.02 0.00 0.00 0.00 0.00 30.24 25.28 1jbj n GLN 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1jbj n LYS 41 N -2.89 3.96 -0.99 -1.09 4.76 -1.26 -4.86 118.16 115.80 1jbj n LYS 41 Ca -0.22 -4.64 -0.18 0.00 -2.87 0.00 0.00 58.31 50.40 1jbj n LYS 41 Cb 0.66 -2.40 0.01 0.00 -1.84 0.00 0.00 35.03 31.46 1jbj n LYS 41 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1jbj n HIS 42 N 0.78 1.44 -4.33 2.13 1.44 -0.86 -2.82 115.22 113.00 1jbj n HIS 42 Ca 0.31 -1.91 -0.23 0.00 -2.01 0.00 0.00 57.72 53.88 1jbj n HIS 42 Cb 0.35 -1.04 -0.13 0.00 0.12 0.00 0.00 29.99 29.29 1jbj n HIS 42 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1jbj s ASP 43 N 0.34 2.28 0.09 4.39 -1.08 -1.26 -4.47 116.67 116.96 1jbj s ASP 43 Ca 0.36 -0.62 -0.06 0.00 -0.52 0.00 0.00 52.55 51.71 1jbj s ASP 43 Cb 0.26 -0.13 -0.21 0.00 -1.46 0.00 0.00 42.92 41.38 1jbj s ASP 43 CO -0.04 0.05 1.20 0.50 0.52 0.00 0.00 175.17 177.39 1jbj h LYS 44 N 4.33 0.38 -4.69 4.34 3.64 -1.82 -3.43 116.57 119.33 1jbj h LYS 44 Ca -0.44 -0.52 -0.69 0.00 -1.27 0.00 0.00 60.65 57.73 1jbj h LYS 44 Cb 1.18 0.17 -0.27 0.00 -0.41 0.00 0.00 32.23 32.91 1jbj h LYS 44 CO 0.41 1.20 -0.58 -3.38 -2.27 0.00 0.00 179.45 174.83 1jbj s HIS 45 N -2.94 3.22 -0.06 1.91 -3.43 -1.26 0.12 115.29 112.86 1jbj s HIS 45 Ca -0.06 -1.16 -0.20 0.00 -0.80 0.00 0.00 55.06 52.84 1jbj s HIS 45 Cb 0.07 -2.32 -0.05 0.00 -1.43 0.00 0.00 32.58 28.86 1jbj s HIS 45 CO 0.89 -0.66 0.56 -1.17 -2.00 0.00 0.00 174.74 172.35 1jbj s LEU 46 N 1.47 4.35 -0.06 5.38 2.96 0.19 -4.84 118.68 128.12 1jbj s LEU 46 Ca 0.01 1.02 -0.01 0.00 -0.22 0.00 0.00 54.13 54.93 1jbj s LEU 46 Cb -0.19 -2.85 -0.03 0.00 0.50 0.00 0.00 46.19 43.62 1jbj s LEU 46 CO 0.04 0.03 0.01 -0.69 -1.32 0.00 0.00 176.35 174.42 1jbj s VAL 47 N 0.26 4.30 -0.43 1.68 1.01 -1.26 0.91 120.40 126.87 1jbj s VAL 47 Ca 0.30 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.98 1jbj s VAL 47 Cb -0.17 -2.84 0.12 0.00 0.00 0.00 0.00 36.38 33.49 1jbj s VAL 47 CO 0.15 0.54 0.17 -0.76 0.00 0.00 0.00 175.10 175.20 1jbj s LEU 48 N -1.08 4.16 -0.15 3.92 1.43 0.40 -4.93 118.68 122.43 1jbj s LEU 48 Ca 0.15 -2.58 -0.29 0.00 -1.03 0.00 0.00 54.13 50.38 1jbj s LEU 48 Cb -0.11 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 1jbj s LEU 48 CO 0.05 -0.30 1.05 -1.10 0.23 0.00 0.00 176.35 176.27 1jbj s GLN 49 N 0.33 4.35 -0.19 1.70 -0.21 -1.26 0.10 119.66 124.47 1jbj s GLN 49 Ca 0.14 1.41 -0.01 0.00 0.02 0.00 0.00 55.36 56.93 1jbj s GLN 49 Cb -0.23 -3.59 0.00 0.00 1.00 0.00 0.00 33.01 30.19 1jbj s GLN 49 CO -0.04 -0.46 0.20 -3.47 -2.12 0.00 0.00 175.29 169.39 1jbj n ASP 50 N 5.60 -3.74 -4.74 5.90 2.03 0.08 -4.95 116.55 116.72 1jbj n ASP 50 Ca 0.10 0.03 -0.40 0.00 0.52 0.00 0.00 54.79 55.05 1jbj n ASP 50 Cb 0.47 -2.29 -0.05 0.00 -0.72 0.00 0.00 41.12 38.53 1jbj n ASP 50 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1jbj s PHE 51 N -2.56 3.68 -0.30 -0.67 5.36 -1.22 -5.05 117.98 117.22 1jbj s PHE 51 Ca 0.02 1.35 -0.01 0.00 -0.96 0.00 0.00 56.93 57.33 1jbj s PHE 51 Cb -0.01 -2.77 0.10 0.00 -0.34 0.00 0.00 43.02 40.00 1jbj s PHE 51 CO 0.22 0.25 0.10 -1.12 -1.46 0.00 0.00 175.22 173.21 1jbj s SER 52 N 0.13 3.88 0.13 6.13 0.01 -1.26 -3.31 113.70 119.41 1jbj s SER 52 Ca 0.37 -1.53 -0.17 0.00 1.31 0.00 0.00 55.95 55.93 1jbj s SER 52 Cb -0.19 -0.77 -0.01 0.00 0.21 0.00 0.00 66.02 65.25 1jbj s SER 52 CO 0.20 -0.41 1.70 -0.08 0.41 0.00 0.00 173.24 175.07 1jbj h GLU 53 N 8.15 0.54 -1.34 12.44 4.22 -1.77 -2.57 114.58 134.25 1jbj h GLU 53 Ca -0.15 -0.08 0.39 0.00 0.08 0.00 0.00 59.36 59.60 1jbj h GLU 53 Cb 1.02 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 30.09 1jbj h GLU 53 CO 0.46 0.49 0.92 0.28 -2.18 0.00 0.00 179.01 178.98 1jbj h VAL 54 N 0.46 0.29 0.18 0.32 2.07 -1.89 -0.61 116.25 117.07 1jbj h VAL 54 Ca 0.13 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.63 1jbj h VAL 54 Cb 0.13 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 1jbj h VAL 54 CO -0.02 0.02 -0.41 -0.33 0.02 0.00 0.00 177.57 176.86 1jbj h GLU 55 N 0.10 -0.66 0.00 1.57 4.39 -1.81 -3.46 114.58 114.71 1jbj h GLU 55 Ca 0.70 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.45 1jbj h GLU 55 Cb 2.46 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 31.26 1jbj h GLU 55 CO -0.16 -0.44 0.00 -0.25 -1.16 0.00 0.00 179.01 177.00 1jbj n ASP 56 N -5.47 0.00 -0.47 1.42 8.00 -0.24 -5.12 116.55 114.67 1jbj n ASP 56 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1jbj n ASP 56 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1jbj n ASP 56 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1jbj n SER 57 N 0.00 -4.20 0.00 -2.24 3.41 -1.25 -5.05 113.62 104.29 1jbj n SER 57 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1jbj n SER 57 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1jbj n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jbj n GLY 58 N 0.00 -1.12 3.91 5.00 0.00 -1.17 -4.99 105.19 106.81 1jbj n GLY 58 Ca 0.00 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 44.71 1jbj n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jbj s TYR 59 N -3.00 3.18 0.04 1.61 2.02 -1.26 -1.40 117.35 118.54 1jbj s TYR 59 Ca 0.00 -0.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.57 1jbj s TYR 59 Cb 0.00 -1.64 -0.03 0.00 -0.40 0.00 0.00 41.96 39.89 1jbj s TYR 59 CO 0.00 0.33 -0.05 0.71 -1.57 0.00 0.00 175.55 174.97 1jbj s TYR 60 N -2.13 0.54 0.03 2.71 2.02 0.12 -1.67 117.35 118.97 1jbj s TYR 60 Ca 0.37 -0.66 -0.16 0.00 -0.37 0.00 0.00 57.07 56.25 1jbj s TYR 60 Cb -0.08 -0.35 0.03 0.00 -0.40 0.00 0.00 41.96 41.16 1jbj s TYR 60 CO 0.28 -0.18 0.35 0.54 -1.57 0.00 0.00 175.55 174.97 1jbj s VAL 61 N -2.14 0.07 -0.03 0.71 0.11 -0.59 -1.99 120.40 116.53 1jbj s VAL 61 Ca -0.06 -0.55 -0.02 0.00 -2.93 0.00 0.00 61.98 58.41 1jbj s VAL 61 Cb -0.05 -0.89 0.01 0.00 -1.53 0.00 0.00 36.38 33.92 1jbj s VAL 61 CO -0.02 -0.31 0.08 0.00 -3.33 0.00 0.00 175.10 171.52 1jbj s TYR 63 N 0.32 0.28 0.13 0.00 -0.85 -1.00 -4.67 117.35 111.56 1jbj s TYR 63 Ca -0.02 -0.70 0.07 0.00 -0.52 0.00 0.00 57.07 55.89 1jbj s TYR 63 Cb -0.04 -0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.17 1jbj s TYR 63 CO -0.01 -0.58 -0.15 0.95 -1.52 0.00 0.00 175.55 174.23 1jbj s THR 64 N -3.91 1.45 0.13 -3.49 -4.23 -0.65 -2.56 115.64 102.38 1jbj s THR 64 Ca 0.10 -1.77 -0.27 0.00 -1.18 0.00 0.00 61.69 58.57 1jbj s THR 64 Cb 0.05 -1.61 -0.04 0.00 1.34 0.00 0.00 72.50 72.23 1jbj s THR 64 CO -0.07 -0.39 1.61 -0.65 -0.54 0.00 0.00 174.62 174.58 1jbj h PRO 65 N 3.45 -0.42 0.00 3.99 0.11 -2.01 -1.06 132.00 136.06 1jbj h PRO 65 Ca -0.40 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.73 1jbj h PRO 65 Cb 1.20 0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 1jbj h PRO 65 CO 0.51 -0.28 -0.01 0.00 -0.21 0.00 0.00 178.00 178.01 1jbj h ALA 66 N 0.32 1.00 -3.45 -0.75 0.00 -1.97 -3.37 119.26 111.04 1jbj h ALA 66 Ca 0.08 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.34 1jbj h ALA 66 Cb 0.55 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.94 1jbj h ALA 66 CO -0.30 0.01 -0.68 0.45 0.00 0.00 0.00 179.25 178.72 1jbj s SER 67 N -5.70 4.41 -1.08 0.00 0.15 -0.41 -5.00 113.70 106.08 1jbj s SER 67 Ca 0.01 -2.55 -0.07 0.00 0.70 0.00 0.00 55.95 54.04 1jbj s SER 67 Cb 0.09 -1.53 -0.04 0.00 -1.71 0.00 0.00 66.02 62.83 1jbj s SER 67 CO 0.54 -0.30 2.89 -3.20 1.20 0.00 0.00 173.24 174.37 1jbj n ASN 68 N 3.71 7.60 -4.64 5.45 5.15 -1.20 -1.64 115.26 129.70 1jbj n ASN 68 Ca 0.04 -2.81 -0.35 0.00 -0.60 0.00 0.00 54.58 50.87 1jbj n ASN 68 Cb 0.37 -1.43 -0.10 0.00 -0.53 0.00 0.00 39.78 38.09 1jbj n ASN 68 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1jbj s LYS 69 N 0.44 4.00 -0.15 1.20 1.02 -1.26 -5.05 119.74 119.95 1jbj s LYS 69 Ca 0.63 -0.32 -0.00 0.00 0.02 0.00 0.00 55.97 56.30 1jbj s LYS 69 Cb 0.23 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 34.22 1jbj s LYS 69 CO -0.08 0.20 -0.13 -0.80 -0.92 0.00 0.00 175.35 173.62 1jbj s ASN 70 N 0.59 3.88 -0.11 2.83 -0.87 -1.26 -4.44 114.94 115.57 1jbj s ASN 70 Ca 0.05 -0.39 -0.02 0.00 -1.57 0.00 0.00 52.86 50.93 1jbj s ASN 70 Cb -0.13 -1.60 0.04 0.00 -0.02 0.00 0.00 41.25 39.54 1jbj s ASN 70 CO 0.01 0.12 0.00 -0.89 -2.57 0.00 0.00 177.10 173.77 1jbj s THR 71 N 0.61 0.48 -0.44 1.60 2.01 -1.26 -5.10 115.64 113.54 1jbj s THR 71 Ca -0.08 -0.10 -0.23 0.00 0.31 0.00 0.00 61.69 61.59 1jbj s THR 71 Cb -0.16 -0.72 0.02 0.00 0.01 0.00 0.00 72.50 71.66 1jbj s THR 71 CO 0.03 0.15 0.80 -0.31 -0.69 0.00 0.00 174.62 174.60 1jbj s TYR 72 N 1.91 3.00 -0.10 4.92 1.51 -1.26 -4.37 117.35 122.97 1jbj s TYR 72 Ca 0.03 0.24 -0.02 0.00 -1.01 0.00 0.00 57.07 56.32 1jbj s TYR 72 Cb -0.13 -3.66 -0.03 0.00 -0.11 0.00 0.00 41.96 38.02 1jbj s TYR 72 CO -0.06 -0.97 -0.02 -1.17 -1.11 0.00 0.00 175.55 172.22 1jbj s LEU 73 N 3.32 3.41 -0.34 -1.29 0.20 -0.84 -3.76 118.68 119.38 1jbj s LEU 73 Ca 0.31 0.04 -0.15 0.00 0.69 0.00 0.00 54.13 55.01 1jbj s LEU 73 Cb -0.12 -1.78 -0.01 0.00 -0.43 0.00 0.00 46.19 43.85 1jbj s LEU 73 CO 0.22 0.32 0.38 -0.47 -0.29 0.00 0.00 176.35 176.51 1jbj s TYR 74 N -0.55 3.21 -0.21 5.38 6.14 0.19 -0.71 117.35 130.80 1jbj s TYR 74 Ca 0.09 -0.02 -0.04 0.00 0.64 0.00 0.00 57.07 57.74 1jbj s TYR 74 Cb -0.12 -2.70 -0.02 0.00 0.42 0.00 0.00 41.96 39.55 1jbj s TYR 74 CO 0.02 -0.45 -0.02 -1.17 0.64 0.00 0.00 175.55 174.57 1jbj s LEU 75 N 2.05 3.08 -0.27 6.97 0.20 -0.50 -2.12 118.68 128.10 1jbj s LEU 75 Ca 0.12 -0.29 -0.01 0.00 0.69 0.00 0.00 54.13 54.64 1jbj s LEU 75 Cb -0.16 -1.78 0.15 0.00 -0.43 0.00 0.00 46.19 43.96 1jbj s LEU 75 CO 0.12 0.02 0.43 -0.75 -0.29 0.00 0.00 176.35 175.88 1jbj s LYS 76 N 1.24 0.41 0.18 1.98 2.20 -0.72 -3.07 119.74 121.96 1jbj s LYS 76 Ca 0.03 0.51 -0.18 0.00 -0.36 0.00 0.00 55.97 55.97 1jbj s LYS 76 Cb -0.14 -0.24 0.04 0.00 -1.51 0.00 0.00 37.83 35.97 1jbj s LYS 76 CO 0.00 -0.75 0.53 0.00 -0.36 0.00 0.00 175.35 174.77 1jbj s ALA 77 N 2.61 -1.07 0.09 3.13 0.00 -1.26 -3.79 121.76 121.48 1jbj s ALA 77 Ca 0.13 -0.08 0.08 0.00 0.00 0.00 0.00 51.96 52.10 1jbj s ALA 77 Cb -0.14 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.78 1jbj s ALA 77 CO -0.20 -0.79 -0.21 0.50 0.00 0.00 0.00 175.76 175.05 1jbj s ARG 78 N -3.84 1.20 0.07 0.00 3.52 -0.91 -2.89 118.95 116.10 1jbj s ARG 78 Ca 0.07 -1.14 0.02 0.00 -0.13 0.00 0.00 55.73 54.56 1jbj s ARG 78 Cb -0.01 -1.46 -0.03 0.00 -1.56 0.00 0.00 34.95 31.89 1jbj s ARG 78 CO -0.05 0.35 -0.08 0.14 -0.81 0.00 0.00 175.30 174.84 1jbj s VAL 79 N -1.08 0.66 0.00 7.11 -7.23 -1.21 -5.02 120.40 113.62 1jbj s VAL 79 Ca 0.07 -1.40 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 1jbj s VAL 79 Cb -0.10 -1.02 0.00 0.00 0.56 0.00 0.00 36.38 35.82 1jbj s VAL 79 CO 0.04 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 174.90 1jbj n GLY 80 N 0.92 1.02 2.51 2.32 0.00 -1.26 -1.83 105.19 108.86 1jbj n GLY 80 Ca -0.19 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 1jbj n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jbj n SER 81 N -2.11 7.46 -2.39 1.61 7.64 -1.26 -4.65 113.62 119.92 1jbj n SER 81 Ca 0.00 -2.94 -0.34 0.00 1.01 0.00 0.00 58.87 56.61 1jbj n SER 81 Cb 0.00 -1.46 0.06 0.00 -1.01 0.00 0.00 64.21 61.79 1jbj n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jbj n ALA 82 N 2.99 6.09 -2.78 -0.43 0.00 -0.76 -4.32 120.51 121.30 1jbj n ALA 82 Ca 0.63 -3.70 0.00 0.00 0.00 0.00 0.00 53.44 50.38 1jbj n ALA 82 Cb 0.27 -1.51 0.05 0.00 0.00 0.00 0.00 19.45 18.27 1jbj n ALA 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jbj n ASP 83 N -0.79 1.25 0.00 0.00 2.03 -1.26 -4.47 116.55 113.31 1jbj n ASP 83 Ca 0.57 -2.03 0.00 0.00 0.52 0.00 0.00 54.79 53.85 1jbj n ASP 83 Cb 0.63 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 1jbj n ASP 83 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1jbj n ASP 84 N -0.55 0.00 0.00 1.67 9.92 -1.26 -4.75 116.55 121.57 1jbj n ASP 84 Ca 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 1jbj n ASP 84 Cb 0.84 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.32 1jbj n ASP 84 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jbj n ALA 85 N 1.51 0.00 -0.13 2.24 0.00 -1.26 -4.97 120.51 117.89 1jbj n ALA 85 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1jbj n ALA 85 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1jbj n ALA 85 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1jbj h LYS 86 N 0.00 0.63 0.00 0.00 6.56 -2.04 -3.42 116.57 118.30 1jbj h LYS 86 Ca 0.00 -0.16 -0.09 0.00 -1.06 0.00 0.00 60.65 59.34 1jbj h LYS 86 Cb 0.00 -0.08 -0.12 0.00 -0.57 0.00 0.00 32.23 31.46 1jbj h LYS 86 CO 0.00 0.67 -0.00 0.36 -2.06 0.00 0.00 179.45 178.41 1jbj n LYS 87 N -4.56 0.16 0.00 3.15 2.85 -1.26 -5.09 118.16 113.41 1jbj n LYS 87 Ca -0.01 -0.74 0.00 0.00 -1.05 0.00 0.00 58.31 56.52 1jbj n LYS 87 Cb 0.21 -0.23 0.00 0.00 -0.65 0.00 0.00 35.03 34.36 1jbj n LYS 87 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1jbj n ASP 88 N 1.06 0.00 0.00 -5.58 8.00 -1.26 -5.06 116.55 113.71 1jbj n ASP 88 Ca -0.02 0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.90 1jbj n ASP 88 Cb 0.73 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 1jbj n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jbj n ALA 89 N -0.90 0.00 -2.36 2.24 0.00 -1.26 -5.02 120.51 113.20 1jbj n ALA 89 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jbj n ALA 89 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1jbj n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jbj n ALA 90 N -0.64 -1.54 -2.89 0.00 0.00 -1.26 -5.16 120.51 109.02 1jbj n ALA 90 Ca 0.00 -0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 1jbj n ALA 90 Cb 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 1jbj n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1jbj s LYS 91 N 0.01 3.46 -1.08 0.00 1.02 -1.26 -4.56 119.74 117.32 1jbj s LYS 91 Ca 0.01 -0.61 -0.02 0.00 0.02 0.00 0.00 55.97 55.37 1jbj s LYS 91 Cb 0.03 -2.87 -0.02 0.00 -0.52 0.00 0.00 37.83 34.45 1jbj s LYS 91 CO -0.01 0.40 0.91 1.63 -0.92 0.00 0.00 175.35 177.37 1jbj n LYS 92 N -1.19 -4.80 -3.62 1.68 5.02 -1.26 -5.00 118.16 108.98 1jbj n LYS 92 Ca -0.07 0.81 -0.01 0.00 -2.02 0.00 0.00 58.31 57.01 1jbj n LYS 92 Cb 0.56 -5.64 -0.01 0.00 -0.02 0.00 0.00 35.03 29.92 1jbj n LYS 92 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1jbj s ASP 93 N -3.96 -0.10 -0.29 4.39 2.15 -1.26 -5.04 116.67 112.55 1jbj s ASP 93 Ca 0.15 -0.12 0.01 0.00 0.43 0.00 0.00 52.55 53.03 1jbj s ASP 93 Cb -0.02 0.19 0.20 0.00 -0.30 0.00 0.00 42.92 42.99 1jbj s ASP 93 CO 0.69 -0.34 0.71 1.51 -0.17 0.00 0.00 175.17 177.56 1jbj s ASP 94 N -2.73 -1.32 -0.48 -0.34 -4.77 -1.26 -5.02 116.67 100.75 1jbj s ASP 94 Ca 0.12 0.19 0.02 0.00 -3.30 0.00 0.00 52.55 49.58 1jbj s ASP 94 Cb 0.02 1.85 0.58 0.00 -1.09 0.00 0.00 42.92 44.28 1jbj s ASP 94 CO -0.04 -0.24 1.92 0.00 0.70 0.00 0.00 175.17 177.51 1jbj n ALA 95 N 5.35 5.66 -2.36 2.11 0.00 -1.26 -4.93 120.51 125.07 1jbj n ALA 95 Ca 0.06 -2.90 -0.12 0.00 0.00 0.00 0.00 53.44 50.48 1jbj n ALA 95 Cb 0.55 -1.51 -0.10 0.00 0.00 0.00 0.00 19.45 18.38 1jbj n ALA 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1jbj s LYS 96 N -3.26 0.79 -1.66 0.00 -2.85 -1.26 -4.82 119.74 106.69 1jbj s LYS 96 Ca 0.56 -1.20 -0.01 0.00 -1.00 0.00 0.00 55.97 54.32 1jbj s LYS 96 Cb 0.46 -0.30 0.00 0.00 -2.06 0.00 0.00 37.83 35.93 1jbj s LYS 96 CO 0.07 0.02 0.17 1.63 0.10 0.00 0.00 175.35 177.35 1jbj n LYS 97 N 0.35 -2.53 -2.71 1.78 5.02 -1.26 -4.90 118.16 113.91 1jbj n LYS 97 Ca -0.15 0.95 -0.42 0.00 -2.02 0.00 0.00 58.31 56.66 1jbj n LYS 97 Cb 0.59 -5.62 -0.02 0.00 -0.02 0.00 0.00 35.03 29.96 1jbj n LYS 97 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1jbj s ASP 98 N -2.28 6.67 -0.28 4.39 -4.77 -1.26 -4.87 116.67 114.26 1jbj s ASP 98 Ca 0.09 -1.98 -0.00 0.00 -3.30 0.00 0.00 52.55 47.35 1jbj s ASP 98 Cb -0.04 -2.51 0.17 0.00 -1.09 0.00 0.00 42.92 39.46 1jbj s ASP 98 CO 0.11 -1.23 0.52 -0.62 0.70 0.00 0.00 175.17 174.65 1jbj s ASP 99 N 4.22 -0.84 -0.50 2.11 -1.08 -1.26 -5.11 116.67 114.21 1jbj s ASP 99 Ca 0.44 0.49 -0.11 0.00 -0.52 0.00 0.00 52.55 52.85 1jbj s ASP 99 Cb -0.01 1.78 0.12 0.00 -1.46 0.00 0.00 42.92 43.36 1jbj s ASP 99 CO -0.05 -0.28 0.40 0.00 0.52 0.00 0.00 175.17 175.76 1jbj s ALA 100 N 2.74 3.49 0.00 3.66 0.00 -1.26 -4.54 121.76 125.86 1jbj s ALA 100 Ca 0.16 -2.55 0.00 0.00 0.00 0.00 0.00 51.96 49.57 1jbj s ALA 100 Cb -0.14 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1jbj s ALA 100 CO -0.21 -1.95 0.00 1.17 0.00 0.00 0.00 175.76 174.77 1jbj n LYS 101 N 5.00 0.00 0.12 0.00 4.81 -1.26 -4.87 118.16 121.96 1jbj n LYS 101 Ca -0.10 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.44 1jbj n LYS 101 Cb 0.41 0.00 0.46 0.00 0.02 0.00 0.00 35.03 35.92 1jbj n LYS 101 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1jbj n LYS 102 N -0.51 0.13 -0.96 1.64 4.81 -1.26 -2.07 118.16 119.93 1jbj n LYS 102 Ca 0.00 0.52 -0.19 0.00 -0.87 0.00 0.00 58.31 57.76 1jbj n LYS 102 Cb 0.00 -1.84 0.13 0.00 0.02 0.00 0.00 35.03 33.34 1jbj n LYS 102 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1jbj n ASP 103 N -2.10 3.90 -1.89 3.14 9.92 -1.26 -4.84 116.55 123.41 1jbj n ASP 103 Ca 0.00 -3.26 -0.18 0.00 -0.53 0.00 0.00 54.79 50.82 1jbj n ASP 103 Cb 0.11 -0.78 -0.03 0.00 -0.64 0.00 0.00 41.12 39.78 1jbj n ASP 103 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jbj n GLY 104 N -0.73 0.17 3.74 0.44 0.00 -0.88 -4.95 105.19 102.98 1jbj n GLY 104 Ca 0.46 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.94 1jbj n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jbj s SER 105 N -2.34 6.99 -0.24 1.61 0.01 -1.19 -4.94 113.70 113.59 1jbj s SER 105 Ca 0.00 2.34 -0.29 0.00 1.31 0.00 0.00 55.95 59.32 1jbj s SER 105 Cb 0.00 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 1jbj s SER 105 CO 0.00 -0.44 1.77 -1.10 0.41 0.00 0.00 173.24 173.88 1jbj s GLN 106 N -0.36 3.59 -0.30 12.44 -1.52 -1.26 -4.76 119.66 127.49 1jbj s GLN 106 Ca 0.54 1.68 0.02 0.00 -1.95 0.00 0.00 55.36 55.65 1jbj s GLN 106 Cb -0.35 -4.14 0.32 0.00 -0.22 0.00 0.00 33.01 28.62 1jbj s GLN 106 CO 0.39 -1.55 1.42 -2.37 -0.25 0.00 0.00 175.29 172.92 1jbj n THR 107 N 6.86 0.00 -0.09 -0.19 5.66 -1.26 -5.04 114.28 120.21 1jbj n THR 107 Ca 0.21 -0.52 -0.23 0.00 -3.05 0.00 0.00 64.05 60.46 1jbj n THR 107 Cb 0.45 1.01 -0.12 0.00 -1.55 0.00 0.00 70.33 70.13 1jbj n THR 107 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1jbj n ASN 108 N 0.73 1.96 0.01 1.09 4.13 -1.26 -4.86 115.26 117.06 1jbj n ASN 108 Ca -0.06 0.28 -0.03 0.00 1.68 0.00 0.00 54.58 56.45 1jbj n ASN 108 Cb 0.76 -0.83 -0.01 0.00 -1.54 0.00 0.00 39.78 38.16 1jbj n ASN 108 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1jbj n LYS 109 N -4.02 0.15 0.00 3.52 4.81 -1.26 -5.00 118.16 116.36 1jbj n LYS 109 Ca -0.40 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.10 1jbj n LYS 109 Cb 0.86 -0.76 0.00 0.00 0.02 0.00 0.00 35.03 35.15 1jbj n LYS 109 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jbj n ALA 110 N -3.76 0.00 -1.45 3.14 0.00 -1.26 -4.88 120.51 112.30 1jbj n ALA 110 Ca -0.04 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.42 1jbj n ALA 110 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.59 1jbj n ALA 110 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jbj n LYS 111 N 0.00 -3.74 -3.07 0.00 4.81 -1.26 -4.91 118.16 109.99 1jbj n LYS 111 Ca 0.00 2.92 -0.10 0.00 -0.87 0.00 0.00 58.31 60.26 1jbj n LYS 111 Cb 0.00 -3.72 0.05 0.00 0.02 0.00 0.00 35.03 31.38 1jbj n LYS 111 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1jbj n ASN 112 N -2.78 -6.63 -4.42 3.14 2.85 -1.26 -5.00 115.26 101.16 1jbj n ASN 112 Ca -0.01 -0.48 -0.37 0.00 -0.11 0.00 0.00 54.58 53.60 1jbj n ASN 112 Cb 0.48 -4.91 -0.12 0.00 1.24 0.00 0.00 39.78 36.46 1jbj n ASN 112 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1jbj s LEU 113 N -4.82 3.69 -0.06 1.20 1.43 -1.26 -5.09 118.68 113.77 1jbj s LEU 113 Ca 0.30 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1jbj s LEU 113 Cb -0.04 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 1jbj s LEU 113 CO 0.69 -0.11 0.01 0.54 0.23 0.00 0.00 176.35 177.71 1jbj s VAL 114 N 1.59 4.30 0.04 -1.59 0.11 -1.26 -4.72 120.40 118.87 1jbj s VAL 114 Ca 0.05 -0.34 -0.00 0.00 -2.93 0.00 0.00 61.98 58.75 1jbj s VAL 114 Cb -0.16 -2.84 -0.03 0.00 -1.53 0.00 0.00 36.38 31.82 1jbj s VAL 114 CO 0.04 0.54 -0.03 -1.10 -3.33 0.00 0.00 175.10 171.21 1jbj s GLN 115 N -1.10 0.49 0.00 1.54 -0.21 -1.16 -5.04 119.66 114.18 1jbj s GLN 115 Ca 0.15 -0.96 0.01 0.00 0.02 0.00 0.00 55.36 54.58 1jbj s GLN 115 Cb -0.11 0.15 -0.00 0.00 1.00 0.00 0.00 33.01 34.04 1jbj s GLN 115 CO 0.05 -0.08 -0.02 0.14 -2.12 0.00 0.00 175.29 173.26 1jbj s VAL 116 N -2.85 0.17 0.41 1.09 -7.23 -1.26 0.12 120.40 110.86 1jbj s VAL 116 Ca -0.03 -0.16 -0.12 0.00 -1.81 0.00 0.00 61.98 59.86 1jbj s VAL 116 Cb 0.00 -0.17 -0.07 0.00 0.56 0.00 0.00 36.38 36.70 1jbj s VAL 116 CO -0.06 0.01 0.81 -0.62 -0.31 0.00 0.00 175.10 174.92 1jbj s ASP 117 N -0.16 6.58 0.00 4.85 2.15 0.30 -4.85 116.67 125.54 1jbj s ASP 117 Ca -0.00 1.24 0.00 0.00 0.43 0.00 0.00 52.55 54.22 1jbj s ASP 117 Cb -0.02 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1jbj s ASP 117 CO -0.00 -0.41 0.41 0.61 -0.17 0.00 0.00 175.17 175.61 1jbj n GLY 118 N -1.21 -0.35 2.80 2.66 0.00 -1.26 -2.22 105.19 105.61 1jbj n GLY 118 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 1jbj n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jbj s SER 119 N -0.16 -0.62 -0.13 1.61 0.15 -1.26 -4.72 113.70 108.57 1jbj s SER 119 Ca 0.00 -1.71 0.15 0.00 0.70 0.00 0.00 55.95 55.10 1jbj s SER 119 Cb 0.00 1.35 0.57 0.00 -1.71 0.00 0.00 66.02 66.22 1jbj s SER 119 CO 0.00 -0.13 1.48 0.54 1.20 0.00 0.00 173.24 176.33 1jbj n ARG 120 N 3.46 3.37 0.00 5.44 1.74 -1.26 -4.95 116.66 124.46 1jbj n ARG 120 Ca 0.17 -2.72 0.00 0.00 -0.77 0.00 0.00 57.85 54.53 1jbj n ARG 120 Cb 0.53 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 1jbj n ARG 120 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jbj n GLY 121 N 0.29 3.08 0.02 -0.13 0.00 -1.26 -4.69 105.19 102.50 1jbj n GLY 121 Ca 0.21 -0.88 0.09 0.00 0.00 0.00 0.00 46.02 45.44 1jbj n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jbj n ASP 122 N 1.13 0.05 0.00 1.61 8.00 -1.26 -4.99 116.55 121.08 1jbj n ASP 122 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1jbj n ASP 122 Cb 0.00 1.82 0.00 0.00 -0.02 0.00 0.00 41.12 42.92 1jbj n ASP 122 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jbj n GLY 123 N 1.30 1.56 3.76 0.44 0.00 -1.26 -4.98 105.19 106.01 1jbj n GLY 123 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1jbj n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jbj s SER 124 N -2.00 6.85 -0.06 1.61 0.01 -1.26 -0.84 113.70 118.02 1jbj s SER 124 Ca 0.00 1.01 -0.18 0.00 1.31 0.00 0.00 55.95 58.09 1jbj s SER 124 Cb 0.00 -2.32 -0.05 0.00 0.21 0.00 0.00 66.02 63.86 1jbj s SER 124 CO 0.00 0.08 0.49 -0.69 0.41 0.00 0.00 173.24 173.54 1jbj s VAL 125 N 0.04 5.06 -0.29 3.43 1.01 -0.86 -4.08 120.40 124.71 1jbj s VAL 125 Ca 0.29 1.01 -0.00 0.00 0.00 0.00 0.00 61.98 63.27 1jbj s VAL 125 Cb -0.17 -3.82 0.09 0.00 0.00 0.00 0.00 36.38 32.48 1jbj s VAL 125 CO 0.14 0.42 0.06 -0.76 0.00 0.00 0.00 175.10 174.96 1jbj s LEU 126 N -0.04 2.53 -0.24 3.92 1.43 -0.94 -2.40 118.68 122.94 1jbj s LEU 126 Ca 0.27 -1.54 -0.29 0.00 -1.03 0.00 0.00 54.13 51.54 1jbj s LEU 126 Cb -0.16 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.07 1jbj s LEU 126 CO 0.13 -0.37 1.14 -0.22 0.23 0.00 0.00 176.35 177.26 1jbj s LEU 127 N 1.51 4.06 -0.08 1.79 0.20 -0.00 0.11 118.68 126.26 1jbj s LEU 127 Ca 0.06 1.37 -0.04 0.00 0.69 0.00 0.00 54.13 56.21 1jbj s LEU 127 Cb -0.18 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.00 1jbj s LEU 127 CO -0.17 -0.79 0.10 0.42 -0.29 0.00 0.00 176.35 175.62 1jbj s THR 128 N 3.51 5.11 0.00 3.68 -4.23 0.33 0.22 115.64 124.26 1jbj s THR 128 Ca 0.49 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 1jbj s THR 128 Cb -0.16 -3.24 0.00 0.00 1.34 0.00 0.00 72.50 70.43 1jbj s THR 128 CO 0.12 0.55 0.00 0.00 -0.54 0.00 0.00 174.62 174.75 1jbj n GLY 130 N 0.00 2.52 2.52 0.00 0.00 -1.26 -4.63 105.19 104.34 1jbj n GLY 130 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 1jbj n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jbj n LEU 131 N 0.00 -5.51 -1.71 0.99 7.99 -1.26 -3.46 117.00 114.05 1jbj n LEU 131 Ca 0.00 0.07 -0.19 0.00 -0.01 0.00 0.00 56.01 55.88 1jbj n LEU 131 Cb 0.00 -2.60 -0.07 0.00 -0.11 0.00 0.00 43.42 40.64 1jbj n LEU 131 CO 0.00 -1.01 -0.19 0.35 -1.51 0.00 0.00 177.39 175.03 1jbj n THR 132 N -1.20 -0.17 -3.68 -5.08 -2.24 -1.26 -4.95 114.28 95.71 1jbj n THR 132 Ca 0.02 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.46 1jbj n THR 132 Cb 0.45 -1.96 -0.05 0.00 -2.10 0.00 0.00 70.33 66.67 1jbj n THR 132 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1jbj s ASP 133 N -2.49 6.56 0.00 3.42 1.01 -1.22 -4.97 116.67 118.98 1jbj s ASP 133 Ca 0.00 0.66 0.30 0.00 0.71 0.00 0.00 52.55 54.21 1jbj s ASP 133 Cb 0.00 -2.13 1.39 0.00 1.01 0.00 0.00 42.92 43.19 1jbj s ASP 133 CO 0.00 0.21 1.95 1.17 0.21 0.00 0.00 175.17 178.71 1jbj n LYS 134 N 0.99 0.84 -4.27 8.23 3.00 -1.26 -4.74 118.16 120.95 1jbj n LYS 134 Ca -0.10 -0.24 -0.20 0.00 -0.00 0.00 0.00 58.31 57.77 1jbj n LYS 134 Cb 0.53 -1.49 -0.16 0.00 0.00 0.00 0.00 35.03 33.90 1jbj n LYS 134 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1jbj s THR 135 N -2.32 0.64 -0.11 3.15 2.01 -1.26 -5.09 115.64 112.66 1jbj s THR 135 Ca 0.34 -0.23 -0.10 0.00 0.31 0.00 0.00 61.69 62.01 1jbj s THR 135 Cb 0.21 -0.61 0.03 0.00 0.01 0.00 0.00 72.50 72.13 1jbj s THR 135 CO 0.43 0.23 0.29 -0.63 -0.69 0.00 0.00 174.62 174.25 1jbj s ILE 136 N 0.54 -0.00 -0.15 1.82 1.01 -1.26 -3.57 121.20 119.59 1jbj s ILE 136 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 60.65 60.55 1jbj s ILE 136 Cb -0.11 -0.40 0.05 0.00 0.01 0.00 0.00 42.46 42.00 1jbj s ILE 136 CO 0.01 0.00 0.02 -0.75 0.00 0.00 0.00 174.94 174.21 1jbj s LYS 137 N 0.18 0.69 0.10 2.79 2.47 -0.79 -4.93 119.74 120.25 1jbj s LYS 137 Ca -0.00 -0.23 -0.05 0.00 -1.56 0.00 0.00 55.97 54.12 1jbj s LYS 137 Cb -0.02 -1.70 -0.05 0.00 -1.46 0.00 0.00 37.83 34.60 1jbj s LYS 137 CO 0.00 -0.50 0.34 -0.46 0.16 0.00 0.00 175.35 174.89 1jbj s TRP 138 N 1.89 3.51 0.06 4.03 -0.11 -1.26 -0.54 118.94 126.52 1jbj s TRP 138 Ca 0.01 0.54 0.01 0.00 1.22 0.00 0.00 56.10 57.89 1jbj s TRP 138 Cb -0.15 -1.99 -0.03 0.00 -1.50 0.00 0.00 33.47 29.80 1jbj s TRP 138 CO -0.07 0.49 -0.06 -0.51 -4.62 0.00 0.00 176.95 172.19 1jbj s LEU 139 N -2.40 2.41 -0.21 5.86 1.02 0.48 -2.53 118.68 123.31 1jbj s LEU 139 Ca 0.37 -0.82 0.01 0.00 0.02 0.00 0.00 54.13 53.71 1jbj s LEU 139 Cb -0.13 -0.01 0.04 0.00 0.02 0.00 0.00 46.19 46.11 1jbj s LEU 139 CO 0.23 -0.41 -0.13 -0.75 0.02 0.00 0.00 176.35 175.31 1jbj s LYS 140 N -2.97 2.37 -1.28 1.70 2.36 0.35 -2.29 119.74 119.97 1jbj s LYS 140 Ca 0.02 -0.95 -0.00 0.00 -2.55 0.00 0.00 55.97 52.48 1jbj s LYS 140 Cb 0.00 -2.56 0.00 0.00 -1.05 0.00 0.00 37.83 34.22 1jbj s LYS 140 CO -0.04 -0.39 0.02 -0.25 1.55 0.00 0.00 175.35 176.24 1jbj n ASP 141 N 4.61 -4.53 0.00 1.43 9.92 -1.26 -0.40 116.55 126.32 1jbj n ASP 141 Ca -0.16 0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 1jbj n ASP 141 Cb 0.47 -3.81 0.00 0.00 -0.64 0.00 0.00 41.12 37.13 1jbj n ASP 141 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jbj n GLY 142 N -0.89 0.68 3.23 0.44 0.00 -1.26 -5.07 105.19 102.33 1jbj n GLY 142 Ca -0.17 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 1jbj n GLY 142 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jbj s SER 143 N -2.45 2.80 0.01 1.61 0.15 0.47 -5.10 113.70 111.18 1jbj s SER 143 Ca 0.00 -0.46 -0.30 0.00 0.70 0.00 0.00 55.95 55.89 1jbj s SER 143 Cb 0.00 -0.71 -0.06 0.00 -1.71 0.00 0.00 66.02 63.53 1jbj s SER 143 CO 0.00 0.23 1.56 -0.63 1.20 0.00 0.00 173.24 175.60 1jbj s ILE 144 N -0.16 3.44 -0.23 6.45 1.09 -1.26 0.13 121.20 130.67 1jbj s ILE 144 Ca -0.02 0.78 -0.04 0.00 -1.10 0.00 0.00 60.65 60.27 1jbj s ILE 144 Cb -0.13 -3.50 0.08 0.00 -1.06 0.00 0.00 42.46 37.85 1jbj s ILE 144 CO 0.03 -0.02 0.10 -0.51 -0.10 0.00 0.00 174.94 174.43 1jbj s ILE 145 N 2.96 0.09 0.27 2.92 2.07 -1.05 -4.87 121.20 123.58 1jbj s ILE 145 Ca 0.70 -0.53 0.11 0.00 -1.41 0.00 0.00 60.65 59.52 1jbj s ILE 145 Cb -0.35 -0.87 -0.05 0.00 0.13 0.00 0.00 42.46 41.32 1jbj s ILE 145 CO 0.29 -0.46 -0.14 -0.94 -1.91 0.00 0.00 174.94 171.78 1jbj s SER 146 N 2.04 3.91 0.86 4.50 1.04 -1.26 -4.47 113.70 120.32 1jbj s SER 146 Ca 0.05 -0.88 -0.13 0.00 0.48 0.00 0.00 55.95 55.47 1jbj s SER 146 Cb -0.16 -0.49 0.11 0.00 0.10 0.00 0.00 66.02 65.58 1jbj s SER 146 CO -0.20 0.04 1.21 -2.16 0.98 0.00 0.00 173.24 173.11 1jbj s PRO 147 N -3.47 1.56 -0.30 4.02 0.04 -1.26 -5.06 135.00 130.52 1jbj s PRO 147 Ca 0.30 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.33 1jbj s PRO 147 Cb -0.06 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.63 1jbj s PRO 147 CO 0.16 -1.85 -0.01 -1.17 0.04 0.00 0.00 177.00 174.17 1jbj s LEU 148 N -5.70 3.98 -0.63 -3.56 1.98 -1.26 -4.61 118.68 108.88 1jbj s LEU 148 Ca 0.65 -1.49 -0.00 0.00 -2.89 0.00 0.00 54.13 50.40 1jbj s LEU 148 Cb -0.09 -1.66 0.00 0.00 0.66 0.00 0.00 46.19 45.10 1jbj s LEU 148 CO 0.50 -0.28 0.04 -3.20 -1.89 0.00 0.00 176.35 171.53 1jbj n ASN 149 N 4.51 -2.87 -3.80 3.68 5.15 -1.26 -5.03 115.26 115.64 1jbj n ASN 149 Ca -0.10 -0.03 -0.12 0.00 -0.60 0.00 0.00 54.58 53.73 1jbj n ASN 149 Cb 0.43 -2.11 -0.11 0.00 -0.53 0.00 0.00 39.78 37.45 1jbj n ASN 149 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jbj s ALA 150 N -2.45 -0.53 -0.36 5.20 0.00 -1.26 -5.07 121.76 117.29 1jbj s ALA 150 Ca 0.02 0.53 0.04 0.00 0.00 0.00 0.00 51.96 52.55 1jbj s ALA 150 Cb -0.01 -0.29 0.29 0.00 0.00 0.00 0.00 23.12 23.11 1jbj s ALA 150 CO 0.03 -0.12 1.29 -2.37 0.00 0.00 0.00 175.76 174.58 1jbj n THR 151 N 2.71 0.00 -1.55 0.00 5.66 -1.26 -4.66 114.28 115.18 1jbj n THR 151 Ca -0.14 -0.87 -0.35 0.00 -3.05 0.00 0.00 64.05 59.63 1jbj n THR 151 Cb 0.58 1.08 0.05 0.00 -1.55 0.00 0.00 70.33 70.50 1jbj n THR 151 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1jbj n LYS 152 N 0.25 2.64 -1.33 1.09 5.02 -1.26 -4.78 118.16 119.79 1jbj n LYS 152 Ca -0.07 -3.22 -0.13 0.00 -2.02 0.00 0.00 58.31 52.88 1jbj n LYS 152 Cb 0.73 -2.23 -0.05 0.00 -0.02 0.00 0.00 35.03 33.46 1jbj n LYS 152 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1jbj n ASN 153 N -0.58 -4.90 -4.77 4.39 0.23 -1.26 -4.92 115.26 103.44 1jbj n ASN 153 Ca 0.57 0.32 -0.31 0.00 -0.53 0.00 0.00 54.58 54.63 1jbj n ASN 153 Cb 0.48 -3.93 -0.07 0.00 -2.08 0.00 0.00 39.78 34.18 1jbj n ASN 153 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1jbj s THR 154 N -2.04 1.43 -0.03 5.53 -4.23 -1.26 -2.31 115.64 112.74 1jbj s THR 154 Ca 0.00 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 58.64 1jbj s THR 154 Cb 0.00 -2.32 0.01 0.00 1.34 0.00 0.00 72.50 71.53 1jbj s THR 154 CO 0.00 0.00 -0.05 0.86 -0.54 0.00 0.00 174.62 174.89 1jbj s TRP 155 N -2.82 0.66 -0.27 3.99 -0.00 0.59 -4.82 118.94 116.27 1jbj s TRP 155 Ca 0.17 -0.15 -0.29 0.00 -0.00 0.00 0.00 56.10 55.83 1jbj s TRP 155 Cb 0.02 -0.53 0.00 0.00 -0.00 0.00 0.00 33.47 32.97 1jbj s TRP 155 CO 0.09 -0.11 1.18 1.21 -0.00 0.00 0.00 176.95 179.32 1jbj s ASN 156 N 0.46 6.89 -0.08 5.86 3.84 -1.26 -0.82 114.94 129.81 1jbj s ASN 156 Ca -0.06 1.29 0.10 0.00 0.21 0.00 0.00 52.86 54.40 1jbj s ASN 156 Cb -0.09 -2.54 -0.14 0.00 -0.55 0.00 0.00 41.25 37.92 1jbj s ASN 156 CO -0.00 -0.88 0.08 0.18 -2.79 0.00 0.00 177.10 173.69 1jbj n LEU 157 N 6.94 0.00 0.00 3.21 4.77 -1.01 -4.98 117.00 125.93 1jbj n LEU 157 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1jbj n LEU 157 Cb 0.46 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1jbj n LEU 157 CO 0.58 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 1jbj n GLY 158 N 2.24 1.31 3.56 -0.72 0.00 -1.26 -4.38 105.19 105.94 1jbj n GLY 158 Ca -0.14 -2.16 -0.45 0.00 0.00 0.00 0.00 46.02 43.28 1jbj n GLY 158 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jbj n ASN 159 N 0.00 2.93 -0.59 1.61 4.05 -1.26 -2.04 115.26 119.96 1jbj n ASN 159 Ca 0.00 0.21 0.47 0.00 0.45 0.00 0.00 54.58 55.71 1jbj n ASN 159 Cb 0.00 -1.49 0.74 0.00 1.23 0.00 0.00 39.78 40.27 1jbj n ASN 159 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1jbj n ASN 160 N 11.48 0.10 -0.13 1.20 0.23 -0.02 0.15 115.26 128.26 1jbj n ASN 160 Ca 0.33 1.16 0.07 0.00 -0.53 0.00 0.00 54.58 55.61 1jbj n ASN 160 Cb 0.40 -0.58 0.39 0.00 -2.08 0.00 0.00 39.78 37.91 1jbj n ASN 160 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jbj h ALA 161 N 1.26 1.74 0.00 -2.53 0.00 -1.87 -3.22 119.26 114.64 1jbj h ALA 161 Ca 0.90 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.68 1jbj h ALA 161 Cb 3.29 -0.18 -0.23 0.00 0.00 0.00 0.00 17.79 20.67 1jbj h ALA 161 CO -0.22 0.16 -0.82 1.17 0.00 0.00 0.00 179.25 179.54 1jbj n LYS 162 N -4.47 0.00 -2.54 0.00 4.81 0.39 -4.49 118.16 111.86 1jbj n LYS 162 Ca 0.09 -1.59 -0.43 0.00 -0.87 0.00 0.00 58.31 55.51 1jbj n LYS 162 Cb 0.21 -0.21 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 1jbj n LYS 162 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1jbj s ASP 163 N -1.59 6.77 0.71 3.14 2.15 0.31 -4.83 116.67 123.33 1jbj s ASP 163 Ca 0.20 1.00 -0.16 0.00 0.43 0.00 0.00 52.55 54.02 1jbj s ASP 163 Cb 0.23 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 40.28 1jbj s ASP 163 CO -0.10 -1.04 0.69 -2.65 -0.17 0.00 0.00 175.17 171.91 1jbj n PRO 164 N 7.24 0.39 -4.14 4.34 -0.02 -1.26 -4.57 135.00 136.99 1jbj n PRO 164 Ca 0.13 0.18 -0.23 0.00 -2.02 0.00 0.00 63.50 61.56 1jbj n PRO 164 Cb 0.47 -1.97 -0.06 0.00 -0.02 0.00 0.00 33.50 31.92 1jbj n PRO 164 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1jbj s ARG 165 N -2.92 2.43 0.00 -0.52 1.04 -1.26 -4.91 118.95 112.81 1jbj s ARG 165 Ca 0.69 -1.44 0.00 0.00 -1.04 0.00 0.00 55.73 53.93 1jbj s ARG 165 Cb -0.35 -2.23 0.00 0.00 -2.04 0.00 0.00 34.95 30.33 1jbj s ARG 165 CO 0.55 0.21 0.00 0.41 -0.04 0.00 0.00 175.30 176.43 1jbj n GLY 166 N -1.09 -0.56 3.42 3.88 0.00 -0.97 -5.00 105.19 104.87 1jbj n GLY 166 Ca -0.04 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 1jbj n GLY 166 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jbj s THR 167 N -3.46 3.07 -0.06 2.61 -4.23 -1.25 -0.90 115.64 111.43 1jbj s THR 167 Ca 0.00 -0.68 -0.01 0.00 -1.18 0.00 0.00 61.69 59.82 1jbj s THR 167 Cb 0.00 -2.25 0.03 0.00 1.34 0.00 0.00 72.50 71.62 1jbj s THR 167 CO 0.00 0.55 0.01 -0.31 -0.54 0.00 0.00 174.62 174.34 1jbj s TYR 168 N -0.14 0.47 -0.09 3.99 2.02 -0.29 -4.27 117.35 119.04 1jbj s TYR 168 Ca -0.01 -0.04 -0.04 0.00 -0.37 0.00 0.00 57.07 56.61 1jbj s TYR 168 Cb -0.14 -0.66 -0.04 0.00 -0.40 0.00 0.00 41.96 40.73 1jbj s TYR 168 CO 0.03 -0.26 0.09 1.14 -1.57 0.00 0.00 175.55 174.98 1jbj s GLN 169 N 1.82 3.23 0.30 -0.62 -2.07 -0.97 0.12 119.66 121.46 1jbj s GLN 169 Ca 0.02 -0.29 0.10 0.00 -1.82 0.00 0.00 55.36 53.37 1jbj s GLN 169 Cb -0.12 -3.00 -0.05 0.00 -1.09 0.00 0.00 33.01 28.75 1jbj s GLN 169 CO -0.04 0.73 -0.02 0.00 -1.32 0.00 0.00 175.29 174.64 1jbj s GLN 171 N -3.68 0.35 0.21 0.00 0.74 0.30 -1.43 119.66 116.15 1jbj s GLN 171 Ca 0.33 -0.31 0.04 0.00 0.05 0.00 0.00 55.36 55.46 1jbj s GLN 171 Cb -0.04 -1.89 -0.03 0.00 1.10 0.00 0.00 33.01 32.15 1jbj s GLN 171 CO 0.19 -0.71 0.34 0.20 -0.55 0.00 0.00 175.29 174.76 1jbj s GLY 172 N 2.00 1.42 0.09 2.59 0.00 0.33 -1.88 107.32 111.86 1jbj s GLY 172 Ca 0.02 -1.13 -0.17 0.00 0.00 0.00 0.00 44.72 43.44 1jbj s GLY 172 CO -0.12 -1.14 0.87 0.00 0.00 0.00 0.00 173.10 172.71 1jbj n ALA 173 N -1.08 -0.35 -0.78 3.20 0.00 -1.23 -2.00 120.51 118.27 1jbj n ALA 173 Ca -0.08 0.46 0.03 0.00 0.00 0.00 0.00 53.44 53.85 1jbj n ALA 173 Cb 0.56 -0.06 0.04 0.00 0.00 0.00 0.00 19.45 19.98 1jbj n ALA 173 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jbj n LYS 174 N -4.60 1.47 -3.61 0.00 4.81 -1.26 -4.98 118.16 109.99 1jbj n LYS 174 Ca 0.01 -1.48 -0.25 0.00 -0.87 0.00 0.00 58.31 55.72 1jbj n LYS 174 Cb 0.14 -0.94 -0.17 0.00 0.02 0.00 0.00 35.03 34.08 1jbj n LYS 174 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1jbj s GLU 175 N -1.10 0.06 -0.19 1.64 8.01 -0.85 -5.13 118.70 121.14 1jbj s GLU 175 Ca 0.08 -0.03 -0.05 0.00 0.01 0.00 0.00 54.97 54.99 1jbj s GLU 175 Cb 0.07 -1.69 -0.03 0.00 -4.31 0.00 0.00 34.13 28.17 1jbj s GLU 175 CO 0.01 -0.65 -0.01 0.99 0.01 0.00 0.00 175.26 175.61 1jbj s THR 176 N 2.16 3.99 0.22 3.63 2.01 -1.26 0.12 115.64 126.51 1jbj s THR 176 Ca 0.03 -0.31 -0.08 0.00 0.31 0.00 0.00 61.69 61.64 1jbj s THR 176 Cb -0.16 -2.79 -0.06 0.00 0.01 0.00 0.00 72.50 69.50 1jbj s THR 176 CO -0.09 0.45 0.51 -0.44 -0.69 0.00 0.00 174.62 174.36 1jbj s SER 177 N 0.76 6.56 0.70 3.53 0.01 -0.51 -4.93 113.70 119.83 1jbj s SER 177 Ca -0.00 0.81 -0.08 0.00 1.31 0.00 0.00 55.95 57.99 1jbj s SER 177 Cb -0.14 -2.18 0.04 0.00 0.21 0.00 0.00 66.02 63.95 1jbj s SER 177 CO 0.02 -0.07 1.03 0.20 0.41 0.00 0.00 173.24 174.83 1jbj s ASN 178 N -2.53 5.04 -0.40 2.44 0.02 -1.26 -2.63 114.94 115.62 1jbj s ASN 178 Ca 0.45 0.69 -0.35 0.00 -1.02 0.00 0.00 52.86 52.63 1jbj s ASN 178 Cb -0.11 -1.42 -0.12 0.00 0.02 0.00 0.00 41.25 39.62 1jbj s ASN 178 CO 0.24 -1.49 2.23 -2.65 0.02 0.00 0.00 177.10 175.44 1jbj n PRO 179 N -2.93 0.93 -2.70 -0.60 -0.02 -1.26 -4.42 135.00 123.99 1jbj n PRO 179 Ca 0.07 0.23 -0.43 0.00 -2.02 0.00 0.00 63.50 61.36 1jbj n PRO 179 Cb 0.59 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 1jbj n PRO 179 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jbj s LEU 180 N 7.57 4.11 -0.92 2.45 2.96 0.32 -4.59 118.68 130.59 1jbj s LEU 180 Ca 1.11 1.34 -0.21 0.00 -0.22 0.00 0.00 54.13 56.16 1jbj s LEU 180 Cb -0.90 -3.49 0.09 0.00 0.50 0.00 0.00 46.19 42.39 1jbj s LEU 180 CO 0.49 -0.62 1.23 -1.10 -1.32 0.00 0.00 176.35 175.02 1jbj s GLN 181 N 3.02 3.51 -0.54 1.98 -0.21 -1.25 -1.14 119.66 125.04 1jbj s GLN 181 Ca 0.43 -1.34 -0.23 0.00 0.02 0.00 0.00 55.36 54.25 1jbj s GLN 181 Cb -0.15 -4.94 0.05 0.00 1.00 0.00 0.00 33.01 28.96 1jbj s GLN 181 CO 0.07 -1.95 0.85 0.08 -2.12 0.00 0.00 175.29 172.22 1jbj s VAL 182 N 3.83 4.53 -0.35 1.09 1.01 -0.08 0.54 120.40 130.97 1jbj s VAL 182 Ca 0.36 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1jbj s VAL 182 Cb -0.05 -4.48 0.09 0.00 0.00 0.00 0.00 36.38 31.94 1jbj s VAL 182 CO -0.06 -1.04 0.08 -0.47 0.00 0.00 0.00 175.10 173.61 1jbj s TYR 183 N 3.57 3.55 0.00 5.22 5.04 -0.90 -2.28 117.35 131.54 1jbj s TYR 183 Ca 0.26 -2.49 0.00 0.00 -2.44 0.00 0.00 57.07 52.39 1jbj s TYR 183 Cb -0.15 -2.75 0.00 0.00 0.35 0.00 0.00 41.96 39.41 1jbj s TYR 183 CO 0.17 -0.92 0.00 0.66 -1.34 0.00 0.00 175.55 174.12 1jbj n TYR 184 N 4.47 0.00 -3.77 4.97 4.01 -1.25 -1.75 117.16 123.84 1jbj n TYR 184 Ca -0.04 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.45 1jbj n TYR 184 Cb 0.42 -0.02 0.04 0.00 -0.31 0.00 0.00 39.34 39.47 1jbj n TYR 184 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1jbj n ARG 185 N -1.85 -5.61 -0.59 -0.72 0.63 -1.26 -4.08 116.66 103.17 1jbj n ARG 185 Ca 0.00 0.65 0.00 0.00 -0.92 0.00 0.00 57.85 57.58 1jbj n ARG 185 Cb 0.00 -5.43 0.00 0.00 0.45 0.00 0.00 32.46 27.48 1jbj n ARG 185 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00