#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 -3.63 -1.20 -2.24 -0.08 -1.26 -5.04 116.55 103.10 1jbj n ASP 2 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1jbj n ASP 2 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 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 1.13 -2.21 -2.66 -1.67 0.00 -1.26 -5.07 120.51 108.78 1jbj n ALA 3 Ca 0.00 0.32 -0.30 0.00 0.00 0.00 0.00 53.44 53.46 1jbj n ALA 3 Cb 0.00 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 18.22 1jbj n ALA 3 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1jbj s GLU 4 N -3.24 2.03 -0.83 0.00 2.12 -1.26 -4.85 118.70 112.67 1jbj s GLU 4 Ca 0.00 -2.21 -0.02 0.00 0.36 0.00 0.00 54.97 53.10 1jbj s GLU 4 Cb 0.00 -1.56 -0.03 0.00 0.26 0.00 0.00 34.13 32.81 1jbj s GLU 4 CO 0.00 -0.17 0.71 -1.71 -0.54 0.00 0.00 175.26 173.55 1jbj n ASN 5 N -1.07 -3.86 -4.97 -1.70 2.85 -1.26 -5.04 115.26 100.20 1jbj n ASN 5 Ca -0.10 -0.50 -0.21 0.00 -0.11 0.00 0.00 54.58 53.66 1jbj n ASN 5 Cb 0.67 -3.97 0.02 0.00 1.24 0.00 0.00 39.78 37.74 1jbj n ASN 5 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1jbj s ILE 6 N -3.28 2.24 -0.10 -1.44 -1.09 -1.26 -5.11 121.20 111.16 1jbj s ILE 6 Ca 0.18 -1.19 -0.09 0.00 -2.23 0.00 0.00 60.65 57.32 1jbj s ILE 6 Cb -0.02 -2.43 -0.04 0.00 -1.58 0.00 0.00 42.46 38.38 1jbj s ILE 6 CO 0.55 0.00 0.21 -1.61 -1.23 0.00 0.00 174.94 172.86 1jbj s GLU 7 N -4.42 3.62 0.41 2.79 2.02 -1.26 -4.84 118.70 117.01 1jbj s GLU 7 Ca 0.51 0.01 -0.26 0.00 0.02 0.00 0.00 54.97 55.25 1jbj s GLU 7 Cb -0.05 -3.22 -0.10 0.00 0.10 0.00 0.00 34.13 30.87 1jbj s GLU 7 CO 0.31 0.72 1.41 0.66 0.02 0.00 0.00 175.26 178.38 1jbj n TYR 8 N 2.06 2.65 -3.77 1.61 4.02 -1.26 -4.87 117.16 117.60 1jbj n TYR 8 Ca -0.18 0.46 -0.37 0.00 -0.01 0.00 0.00 57.90 57.81 1jbj n TYR 8 Cb 0.54 -2.46 -0.13 0.00 -0.02 0.00 0.00 39.34 37.27 1jbj n TYR 8 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1jbj s LYS 9 N -2.24 3.47 -0.03 -0.72 1.02 -1.06 -4.86 119.74 115.33 1jbj s LYS 9 Ca 0.58 -0.60 0.05 0.00 0.02 0.00 0.00 55.97 56.02 1jbj s LYS 9 Cb -0.48 -3.31 -0.03 0.00 -0.52 0.00 0.00 37.83 33.49 1jbj s LYS 9 CO 0.60 -0.26 -0.18 0.08 -0.92 0.00 0.00 175.35 174.67 1jbj s VAL 10 N 1.57 2.77 -0.21 3.17 1.01 -1.26 0.11 120.40 127.57 1jbj s VAL 10 Ca 0.05 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1jbj s VAL 10 Cb -0.16 -2.07 0.09 0.00 0.00 0.00 0.00 36.38 34.25 1jbj s VAL 10 CO 0.03 0.55 0.46 -0.44 0.00 0.00 0.00 175.10 175.70 1jbj s SER 11 N -0.80 -0.43 -0.19 3.32 0.01 -0.75 -4.81 113.70 110.07 1jbj s SER 11 Ca 0.12 1.07 -0.26 0.00 1.31 0.00 0.00 55.95 58.19 1jbj s SER 11 Cb -0.10 1.39 -0.01 0.00 0.21 0.00 0.00 66.02 67.50 1jbj s SER 11 CO 0.01 -0.23 0.86 -0.63 0.41 0.00 0.00 173.24 173.66 1jbj s ILE 12 N 2.45 4.85 -0.25 1.44 1.09 -1.26 -1.28 121.20 128.23 1jbj s ILE 12 Ca -0.04 1.68 0.02 0.00 -1.10 0.00 0.00 60.65 61.21 1jbj s ILE 12 Cb -0.11 -4.16 0.06 0.00 -1.06 0.00 0.00 42.46 37.19 1jbj s ILE 12 CO -0.14 -0.02 -0.06 -0.44 -0.10 0.00 0.00 174.94 174.19 1jbj s SER 13 N 1.20 4.10 -1.08 3.58 0.01 0.57 -4.84 113.70 117.24 1jbj s SER 13 Ca 0.39 -1.33 -0.16 0.00 1.31 0.00 0.00 55.95 56.15 1jbj s SER 13 Cb -0.16 -1.31 -0.02 0.00 0.21 0.00 0.00 66.02 64.74 1jbj s SER 13 CO 0.11 -0.24 0.81 0.61 0.41 0.00 0.00 173.24 174.94 1jbj n GLY 14 N 4.57 -1.06 2.93 3.44 0.00 -1.26 -1.11 105.19 112.70 1jbj n GLY 14 Ca -0.11 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.80 0.00 -4.72 2.61 -1.04 -1.26 -4.86 114.28 101.21 1jbj n THR 15 Ca -0.09 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.59 1jbj n THR 15 Cb 0.59 -0.78 -0.16 0.00 -1.82 0.00 0.00 70.33 68.16 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 -2.02 3.35 0.26 8.00 0.01 -0.27 0.76 113.70 123.79 1jbj s SER 16 Ca 0.00 -0.53 -0.13 0.00 1.31 0.00 0.00 55.95 56.60 1jbj s SER 16 Cb 0.00 -1.49 -0.08 0.00 0.21 0.00 0.00 66.02 64.66 1jbj s SER 16 CO 0.00 0.10 0.64 -0.69 0.41 0.00 0.00 173.24 173.70 1jbj s VAL 17 N 0.70 4.80 -0.27 3.43 1.01 0.32 0.21 120.40 130.61 1jbj s VAL 17 Ca -0.09 0.75 -0.03 0.00 0.00 0.00 0.00 61.98 62.62 1jbj s VAL 17 Cb -0.16 -3.64 0.09 0.00 0.00 0.00 0.00 36.38 32.67 1jbj s VAL 17 CO 0.01 -0.06 0.10 -0.70 0.00 0.00 0.00 175.10 174.45 1jbj s GLU 18 N -2.73 0.40 0.25 2.72 2.12 -0.40 0.14 118.70 121.19 1jbj s GLU 18 Ca 0.49 -0.62 -0.10 0.00 0.36 0.00 0.00 54.97 55.10 1jbj s GLU 18 Cb -0.12 -1.63 -0.07 0.00 0.26 0.00 0.00 34.13 32.57 1jbj s GLU 18 CO 0.19 -0.91 0.57 -0.51 -0.54 0.00 0.00 175.26 174.07 1jbj s LEU 19 N 1.93 4.14 -0.28 2.70 1.43 0.30 -1.80 118.68 127.09 1jbj s LEU 19 Ca 0.07 0.94 0.03 0.00 -1.03 0.00 0.00 54.13 54.14 1jbj s LEU 19 Cb -0.17 -3.72 0.07 0.00 0.03 0.00 0.00 46.19 42.41 1jbj s LEU 19 CO -0.26 -0.11 -0.07 -0.89 0.23 0.00 0.00 176.35 175.25 1jbj s THR 20 N -1.88 2.18 0.23 5.49 2.01 0.31 -0.82 115.64 123.17 1jbj s THR 20 Ca 0.48 -1.79 -0.30 0.00 0.31 0.00 0.00 61.69 60.39 1jbj s THR 20 Cb -0.11 -2.36 -0.09 0.00 0.01 0.00 0.00 72.50 69.95 1jbj s THR 20 CO 0.22 -0.16 1.30 0.00 -0.69 0.00 0.00 174.62 175.30 1jbj n PRO 22 N 2.20 0.40 -5.15 0.00 -0.04 -1.26 -4.58 135.00 126.57 1jbj n PRO 22 Ca 0.05 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.20 1jbj n PRO 22 Cb 0.43 -1.49 -0.17 0.00 -0.04 0.00 0.00 33.50 32.23 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 -1.97 2.03 1.04 1.53 1.43 -1.26 -4.84 118.68 116.64 1jbj s LEU 23 Ca 0.19 -0.52 -0.17 0.00 -1.03 0.00 0.00 54.13 52.60 1jbj s LEU 23 Cb 0.09 -1.33 0.09 0.00 0.03 0.00 0.00 46.19 45.07 1jbj s LEU 23 CO 0.15 0.16 -0.08 -0.90 0.23 0.00 0.00 176.35 175.91 1jbj n ASP 24 N 3.44 -2.73 -4.35 2.29 5.68 -1.26 -4.58 116.55 115.04 1jbj n ASP 24 Ca -0.19 -0.23 -0.45 0.00 -0.50 0.00 0.00 54.79 53.42 1jbj n ASP 24 Cb 0.53 -0.79 -0.05 0.00 -1.14 0.00 0.00 41.12 39.67 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 -1.76 6.21 0.37 -1.12 1.04 -1.26 -4.60 113.70 112.58 1jbj s SER 25 Ca 0.43 -1.59 0.07 0.00 0.48 0.00 0.00 55.95 55.34 1jbj s SER 25 Cb -0.06 -2.27 -0.01 0.00 0.10 0.00 0.00 66.02 63.78 1jbj s SER 25 CO 0.49 -1.02 0.43 -1.81 0.98 0.00 0.00 173.24 172.31 1jbj s ASP 26 N 3.58 5.56 0.00 7.02 1.11 -1.26 -4.91 116.67 127.76 1jbj s ASP 26 Ca 0.09 -0.42 0.00 0.00 0.18 0.00 0.00 52.55 52.40 1jbj s ASP 26 Cb -0.25 -0.92 0.00 0.00 1.07 0.00 0.00 42.92 42.82 1jbj s ASP 26 CO 0.05 -0.52 1.02 -0.62 1.18 0.00 0.00 175.17 176.27 1jbj n GLU 27 N -1.60 0.76 -0.21 8.23 -0.58 -1.26 -2.00 120.64 123.98 1jbj n GLU 27 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 1jbj n GLU 27 Cb 0.59 -1.12 0.00 0.00 -0.57 0.00 0.00 31.44 30.34 1jbj n GLU 27 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1jbj n ASN 28 N 0.96 0.00 -4.74 1.62 3.02 -1.26 -5.11 115.26 109.75 1jbj n ASN 28 Ca 0.00 -1.00 -0.40 0.00 -0.03 0.00 0.00 54.58 53.15 1jbj n ASN 28 Cb 0.38 -0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.50 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 4.43 0.13 3.41 2.96 -0.85 -4.20 118.68 124.55 1jbj s LEU 29 Ca 0.00 1.44 -0.03 0.00 -0.22 0.00 0.00 54.13 55.31 1jbj s LEU 29 Cb 0.00 -3.25 -0.03 0.00 0.50 0.00 0.00 46.19 43.41 1jbj s LEU 29 CO 0.00 -0.03 0.11 -1.59 -1.32 0.00 0.00 176.35 173.52 1jbj s LYS 30 N 0.15 0.94 0.35 1.98 -2.85 -1.07 -3.47 119.74 115.76 1jbj s LYS 30 Ca 0.40 -1.32 0.08 0.00 -1.00 0.00 0.00 55.97 54.12 1jbj s LYS 30 Cb -0.20 0.28 -0.07 0.00 -2.06 0.00 0.00 37.83 35.78 1jbj s LYS 30 CO 0.23 -0.28 -0.04 -1.58 0.10 0.00 0.00 175.35 173.78 1jbj s TRP 31 N -4.00 2.28 -0.22 1.78 0.52 -1.17 -2.58 118.94 115.55 1jbj s TRP 31 Ca 0.19 -0.64 -0.12 0.00 0.02 0.00 0.00 56.10 55.55 1jbj s TRP 31 Cb 0.06 -1.42 0.07 0.00 -1.15 0.00 0.00 33.47 31.03 1jbj s TRP 31 CO -0.01 0.41 0.53 -2.00 0.02 0.00 0.00 176.95 175.90 1jbj s GLU 32 N -3.70 0.53 0.12 4.98 2.12 -0.26 -2.23 118.70 120.26 1jbj s GLU 32 Ca 0.33 0.97 0.04 0.00 0.36 0.00 0.00 54.97 56.67 1jbj s GLU 32 Cb 0.06 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.46 1jbj s GLU 32 CO 0.16 -0.15 0.08 0.21 -0.54 0.00 0.00 175.26 175.01 1jbj s LYS 33 N 1.46 2.79 0.56 4.30 2.20 -0.63 -0.82 119.74 129.60 1jbj s LYS 33 Ca -0.09 -0.81 0.37 0.00 -0.36 0.00 0.00 55.97 55.07 1jbj s LYS 33 Cb -0.07 -2.63 1.50 0.00 -1.51 0.00 0.00 37.83 35.12 1jbj s LYS 33 CO -0.15 0.52 1.72 -0.91 -0.36 0.00 0.00 175.35 176.17 1jbj h ASN 34 N 2.98 0.00 0.00 1.43 4.21 -1.54 -3.21 115.58 119.45 1jbj h ASN 34 Ca -0.47 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.04 1jbj h ASN 34 Cb 1.18 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 1jbj h ASN 34 CO 0.63 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 177.38 1jbj n GLY 35 N -1.75 -0.19 3.64 2.83 0.00 -1.26 -5.04 105.19 103.41 1jbj n GLY 35 Ca 0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 1jbj n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jbj s GLN 36 N -0.36 2.35 0.14 1.61 1.11 -1.21 -5.13 119.66 118.17 1jbj s GLN 36 Ca 0.00 -1.03 0.03 0.00 0.01 0.00 0.00 55.36 54.37 1jbj s GLN 36 Cb 0.00 -2.38 -0.04 0.00 -1.01 0.00 0.00 33.01 29.58 1jbj s GLN 36 CO 0.00 0.49 0.23 -1.83 0.01 0.00 0.00 175.29 174.19 1jbj s GLU 37 N -2.60 3.27 -0.35 2.91 -1.05 -1.26 -1.61 118.70 118.01 1jbj s GLU 37 Ca 0.25 -0.66 -0.01 0.00 -0.15 0.00 0.00 54.97 54.41 1jbj s GLU 37 Cb -0.10 -2.88 0.09 0.00 -0.44 0.00 0.00 34.13 30.80 1jbj s GLU 37 CO 0.17 0.52 0.09 -0.51 0.95 0.00 0.00 175.26 176.49 1jbj s LEU 38 N -3.09 4.64 -0.52 1.83 1.43 -0.95 -4.93 118.68 117.10 1jbj s LEU 38 Ca 0.33 -1.79 -0.00 0.00 -1.03 0.00 0.00 54.13 51.64 1jbj s LEU 38 Cb -0.11 -1.74 0.44 0.00 0.03 0.00 0.00 46.19 44.81 1jbj s LEU 38 CO 0.27 -0.40 1.96 -0.81 0.23 0.00 0.00 176.35 177.59 1jbj n PRO 39 N 4.52 2.33 -2.71 1.29 -0.04 -1.26 -3.01 135.00 136.12 1jbj n PRO 39 Ca -0.05 -2.74 -0.04 0.00 -0.04 0.00 0.00 63.50 60.64 1jbj n PRO 39 Cb 0.42 -2.07 0.10 0.00 -0.04 0.00 0.00 33.50 31.91 1jbj n PRO 39 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1jbj n GLN 40 N -0.66 1.36 -3.64 0.54 3.00 -1.26 -5.03 117.38 111.69 1jbj n GLN 40 Ca 0.53 -2.03 -0.28 0.00 -0.01 0.00 0.00 57.00 55.21 1jbj n GLN 40 Cb 0.89 -0.26 -0.11 0.00 0.00 0.00 0.00 30.24 30.75 1jbj n GLN 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1jbj s LYS 41 N -0.95 1.52 -0.32 -1.09 -0.14 -1.26 -4.96 119.74 112.54 1jbj s LYS 41 Ca 0.18 -2.50 -0.01 0.00 -1.36 0.00 0.00 55.97 52.28 1jbj s LYS 41 Cb 0.41 -2.31 0.21 0.00 -1.68 0.00 0.00 37.83 34.47 1jbj s LYS 41 CO -0.08 -1.30 2.03 0.72 -0.76 0.00 0.00 175.35 175.96 1jbj n HIS 42 N 2.72 1.56 -4.52 3.18 8.25 -1.23 -3.74 115.22 121.44 1jbj n HIS 42 Ca 0.21 -1.98 -0.26 0.00 -0.26 0.00 0.00 57.72 55.44 1jbj n HIS 42 Cb 0.40 -0.97 -0.14 0.00 1.12 0.00 0.00 29.99 30.41 1jbj n HIS 42 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1jbj s ASP 43 N 0.16 2.60 0.17 0.41 -1.08 -1.26 -4.41 116.67 113.27 1jbj s ASP 43 Ca 0.32 -0.60 -0.01 0.00 -0.52 0.00 0.00 52.55 51.73 1jbj s ASP 43 Cb 0.25 -0.19 0.04 0.00 -1.46 0.00 0.00 42.92 41.56 1jbj s ASP 43 CO -0.01 0.13 1.42 0.50 0.52 0.00 0.00 175.17 177.74 1jbj h LYS 44 N 4.52 0.39 -4.71 4.34 3.64 -1.81 -3.42 116.57 119.52 1jbj h LYS 44 Ca -0.45 -0.33 -0.69 0.00 -1.27 0.00 0.00 60.65 57.91 1jbj h LYS 44 Cb 1.17 0.07 -0.24 0.00 -0.41 0.00 0.00 32.23 32.82 1jbj h LYS 44 CO 0.42 0.98 -0.55 -3.38 -2.27 0.00 0.00 179.45 174.65 1jbj s HIS 45 N -3.57 3.20 -0.10 1.91 -3.43 -1.26 0.11 115.29 112.16 1jbj s HIS 45 Ca -0.06 -0.77 -0.17 0.00 -0.80 0.00 0.00 55.06 53.27 1jbj s HIS 45 Cb 0.10 -2.37 -0.05 0.00 -1.43 0.00 0.00 32.58 28.84 1jbj s HIS 45 CO 0.84 -0.54 0.44 -1.17 -2.00 0.00 0.00 174.74 172.31 1jbj s LEU 46 N 1.58 4.32 -0.07 5.38 2.96 0.00 -4.85 118.68 127.99 1jbj s LEU 46 Ca 0.03 0.82 -0.01 0.00 -0.22 0.00 0.00 54.13 54.75 1jbj s LEU 46 Cb -0.18 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.84 1jbj s LEU 46 CO 0.06 0.08 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.48 1jbj s VAL 47 N 0.23 4.26 -0.44 1.68 1.01 -1.26 0.11 120.40 125.99 1jbj s VAL 47 Ca 0.24 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1jbj s VAL 47 Cb -0.15 -2.80 0.12 0.00 0.00 0.00 0.00 36.38 33.54 1jbj s VAL 47 CO 0.10 0.58 0.18 -0.76 0.00 0.00 0.00 175.10 175.20 1jbj s LEU 48 N -0.96 4.16 -0.27 3.92 1.43 0.36 -4.93 118.68 122.39 1jbj s LEU 48 Ca 0.14 -2.60 -0.29 0.00 -1.03 0.00 0.00 54.13 50.35 1jbj s LEU 48 Cb -0.11 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.59 1jbj s LEU 48 CO 0.03 -0.30 1.16 -1.10 0.23 0.00 0.00 176.35 176.38 1jbj s GLN 49 N 0.30 4.09 -0.12 1.70 -0.21 -1.26 0.12 119.66 124.28 1jbj s GLN 49 Ca 0.15 1.28 -0.01 0.00 0.02 0.00 0.00 55.36 56.79 1jbj s GLN 49 Cb -0.23 -3.76 0.00 0.00 1.00 0.00 0.00 33.01 30.02 1jbj s GLN 49 CO -0.04 -0.88 0.13 -3.47 -2.12 0.00 0.00 175.29 168.91 1jbj n ASP 50 N 6.92 -3.09 -4.78 5.90 2.03 0.23 -4.95 116.55 118.80 1jbj n ASP 50 Ca 0.13 0.02 -0.36 0.00 0.52 0.00 0.00 54.79 55.10 1jbj n ASP 50 Cb 0.46 -1.81 -0.03 0.00 -0.72 0.00 0.00 41.12 39.02 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 -2.48 3.16 -0.27 -0.67 5.36 -1.23 -5.05 117.98 116.80 1jbj s PHE 51 Ca 0.01 1.61 -0.02 0.00 -0.96 0.00 0.00 56.93 57.58 1jbj s PHE 51 Cb -0.00 -3.18 0.09 0.00 -0.34 0.00 0.00 43.02 39.58 1jbj s PHE 51 CO 0.14 -0.84 0.08 -1.12 -1.46 0.00 0.00 175.22 172.02 1jbj s SER 52 N -1.55 3.67 -0.10 6.13 0.01 -1.26 -4.23 113.70 116.36 1jbj s SER 52 Ca 0.60 -1.36 -0.28 0.00 1.31 0.00 0.00 55.95 56.22 1jbj s SER 52 Cb -0.23 -0.75 -0.24 0.00 0.21 0.00 0.00 66.02 65.01 1jbj s SER 52 CO 0.29 -0.38 0.93 -0.08 0.41 0.00 0.00 173.24 174.40 1jbj h GLU 53 N 8.16 -0.00 -1.62 12.44 4.81 -1.77 -3.29 114.58 133.31 1jbj h GLU 53 Ca -0.15 0.00 0.51 0.00 -0.13 0.00 0.00 59.36 59.58 1jbj h GLU 53 Cb 1.04 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.32 1jbj h GLU 53 CO 0.43 0.84 1.11 0.28 -0.73 0.00 0.00 179.01 180.93 1jbj h VAL 54 N -0.84 0.04 0.19 0.32 2.07 -1.91 -0.15 116.25 115.98 1jbj h VAL 54 Ca -0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1jbj h VAL 54 Cb 0.84 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1jbj h VAL 54 CO 0.00 0.00 -0.42 -0.33 0.02 0.00 0.00 177.57 176.85 1jbj h GLU 55 N 0.02 -0.64 0.00 1.57 5.08 -1.92 -3.45 114.58 115.24 1jbj h GLU 55 Ca 0.88 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 59.29 1jbj h GLU 55 Cb 3.17 0.15 0.00 0.00 0.50 0.00 0.00 28.75 32.56 1jbj h GLU 55 CO -0.25 -0.43 0.00 -0.25 -1.00 0.00 0.00 179.01 177.08 1jbj n ASP 56 N -4.85 0.00 -0.16 1.42 8.00 -0.09 -5.15 116.55 115.72 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 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 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 -2.54 -3.29 -2.24 3.41 -1.06 -4.66 113.62 103.24 1jbj n SER 57 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.40 1jbj n SER 57 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1jbj n SER 57 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1jbj s GLY 58 N -3.06 0.43 -0.67 5.00 0.00 0.80 -4.87 107.32 104.96 1jbj s GLY 58 Ca 0.00 -1.66 -0.28 0.00 0.00 0.00 0.00 44.72 42.79 1jbj s GLY 58 CO 0.00 2.53 1.24 -0.19 0.00 0.00 0.00 173.10 176.68 1jbj s TYR 59 N 0.69 2.43 0.32 1.90 2.02 -1.26 -0.74 117.35 122.71 1jbj s TYR 59 Ca 0.26 0.17 0.10 0.00 -0.37 0.00 0.00 57.07 57.23 1jbj s TYR 59 Cb -0.06 -4.58 -0.05 0.00 -0.40 0.00 0.00 41.96 36.87 1jbj s TYR 59 CO -0.10 -1.85 -0.03 0.71 -1.57 0.00 0.00 175.55 172.71 1jbj s TYR 60 N 5.38 2.51 -0.19 2.71 2.02 -0.84 -1.17 117.35 127.77 1jbj s TYR 60 Ca 0.39 -0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 56.63 1jbj s TYR 60 Cb -0.08 -1.37 0.09 0.00 -0.40 0.00 0.00 41.96 40.21 1jbj s TYR 60 CO 0.20 0.54 0.38 0.54 -1.57 0.00 0.00 175.55 175.65 1jbj s VAL 61 N -2.50 -0.60 -0.13 0.71 0.11 0.00 -1.26 120.40 116.73 1jbj s VAL 61 Ca 0.33 0.15 0.02 0.00 -2.93 0.00 0.00 61.98 59.55 1jbj s VAL 61 Cb -0.01 -0.65 -0.00 0.00 -1.53 0.00 0.00 36.38 34.18 1jbj s VAL 61 CO 0.18 0.05 -0.19 0.00 -3.33 0.00 0.00 175.10 171.81 1jbj s TYR 63 N 0.61 -0.05 -0.04 0.00 1.13 -1.07 -4.51 117.35 113.42 1jbj s TYR 63 Ca -0.10 -0.37 0.04 0.00 -1.41 0.00 0.00 57.07 55.23 1jbj s TYR 63 Cb -0.16 0.70 -0.00 0.00 -1.10 0.00 0.00 41.96 41.40 1jbj s TYR 63 CO 0.03 -1.06 -0.15 0.95 -2.51 0.00 0.00 175.55 172.81 1jbj s THR 64 N -2.99 1.30 0.62 -3.49 -4.23 -0.93 -2.58 115.64 103.33 1jbj s THR 64 Ca 0.15 -0.64 0.27 0.00 -1.18 0.00 0.00 61.69 60.29 1jbj s THR 64 Cb -0.03 -1.13 0.33 0.00 1.34 0.00 0.00 72.50 73.01 1jbj s THR 64 CO 0.05 0.38 1.78 -0.65 -0.54 0.00 0.00 174.62 175.64 1jbj h PRO 65 N 6.34 0.00 -0.00 3.99 0.11 -1.84 0.56 132.00 141.15 1jbj h PRO 65 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1jbj h PRO 65 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1jbj h PRO 65 CO 0.48 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 178.26 1jbj n ALA 66 N -2.14 2.39 -3.91 -0.75 0.00 -1.26 -4.95 120.51 109.90 1jbj n ALA 66 Ca 0.06 -0.39 -0.30 0.00 0.00 0.00 0.00 53.44 52.81 1jbj n ALA 66 Cb 0.70 -0.01 -0.15 0.00 0.00 0.00 0.00 19.45 19.98 1jbj n ALA 66 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1jbj s SER 67 N -0.27 3.97 0.44 0.00 0.01 0.19 -5.07 113.70 112.97 1jbj s SER 67 Ca 0.00 -1.39 0.00 0.00 1.31 0.00 0.00 55.95 55.88 1jbj s SER 67 Cb 0.00 -1.16 0.00 0.00 0.21 0.00 0.00 66.02 65.07 1jbj s SER 67 CO 0.01 -0.29 0.00 -3.20 0.41 0.00 0.00 173.24 170.17 1jbj n ASN 68 N 4.66 -5.97 -4.65 2.44 2.85 -1.26 -2.19 115.26 111.13 1jbj n ASN 68 Ca -0.08 1.00 -0.25 0.00 -0.11 0.00 0.00 54.58 55.15 1jbj n ASN 68 Cb 0.44 -4.05 0.11 0.00 1.24 0.00 0.00 39.78 37.51 1jbj n ASN 68 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1jbj s LYS 69 N -4.19 1.66 0.34 1.20 1.02 -1.26 -4.02 119.74 114.49 1jbj s LYS 69 Ca 0.00 -0.74 -0.25 0.00 0.02 0.00 0.00 55.97 54.99 1jbj s LYS 69 Cb 0.00 -2.21 -0.10 0.00 -0.52 0.00 0.00 37.83 35.00 1jbj s LYS 69 CO 0.00 -1.53 0.96 0.54 -0.92 0.00 0.00 175.35 174.40 1jbj s ASN 70 N -4.69 7.23 -0.04 2.83 4.22 -1.26 -4.77 114.94 118.45 1jbj s ASN 70 Ca 0.66 1.87 0.02 0.00 -2.14 0.00 0.00 52.86 53.26 1jbj s ASN 70 Cb -0.07 -2.58 0.01 0.00 1.28 0.00 0.00 41.25 39.90 1jbj s ASN 70 CO 0.46 -0.15 -0.08 -0.89 -2.04 0.00 0.00 177.10 174.40 1jbj s THR 71 N -1.65 0.75 -0.43 0.54 2.01 -1.26 -5.08 115.64 110.53 1jbj s THR 71 Ca 0.52 -0.29 -0.24 0.00 0.31 0.00 0.00 61.69 61.99 1jbj s THR 71 Cb -0.19 -0.71 0.02 0.00 0.01 0.00 0.00 72.50 71.64 1jbj s THR 71 CO 0.24 0.26 0.82 -0.31 -0.69 0.00 0.00 174.62 174.94 1jbj s TYR 72 N 0.54 3.01 0.12 4.92 2.02 -1.26 -4.24 117.35 122.46 1jbj s TYR 72 Ca -0.09 0.35 0.05 0.00 -0.37 0.00 0.00 57.07 57.01 1jbj s TYR 72 Cb -0.12 -3.66 -0.04 0.00 -0.40 0.00 0.00 41.96 37.74 1jbj s TYR 72 CO 0.01 -0.94 0.06 -0.48 -1.57 0.00 0.00 175.55 172.64 1jbj s LEU 73 N 3.35 3.64 -0.16 -1.29 0.05 -0.39 -4.03 118.68 119.85 1jbj s LEU 73 Ca 0.32 -0.14 -0.03 0.00 0.05 0.00 0.00 54.13 54.33 1jbj s LEU 73 Cb -0.12 -2.31 -0.02 0.00 -2.05 0.00 0.00 46.19 41.69 1jbj s LEU 73 CO 0.22 0.13 -0.05 -0.47 -0.55 0.00 0.00 176.35 175.63 1jbj s TYR 74 N -1.51 2.97 -0.27 3.48 5.04 0.25 -1.99 117.35 125.33 1jbj s TYR 74 Ca 0.28 -0.46 0.01 0.00 -2.44 0.00 0.00 57.07 54.47 1jbj s TYR 74 Cb -0.11 -1.97 0.05 0.00 0.35 0.00 0.00 41.96 40.29 1jbj s TYR 74 CO 0.21 -0.15 -0.07 -1.17 -1.34 0.00 0.00 175.55 173.02 1jbj s LEU 75 N 0.56 3.56 -0.27 6.97 0.20 0.08 -2.21 118.68 127.58 1jbj s LEU 75 Ca -0.04 -1.32 0.02 0.00 0.69 0.00 0.00 54.13 53.48 1jbj s LEU 75 Cb -0.15 -1.61 0.07 0.00 -0.43 0.00 0.00 46.19 44.08 1jbj s LEU 75 CO 0.03 -0.21 -0.05 -0.75 -0.29 0.00 0.00 176.35 175.08 1jbj s LYS 76 N 1.16 1.78 0.08 1.98 2.47 -0.76 -0.14 119.74 126.31 1jbj s LYS 76 Ca -0.07 -1.30 -0.21 0.00 -1.56 0.00 0.00 55.97 52.83 1jbj s LYS 76 Cb -0.20 -2.79 0.05 0.00 -1.46 0.00 0.00 37.83 33.44 1jbj s LYS 76 CO -0.04 -0.67 0.51 0.00 0.16 0.00 0.00 175.35 175.31 1jbj s ALA 77 N 1.20 -1.29 0.07 3.13 0.00 -1.26 -3.95 121.76 119.66 1jbj s ALA 77 Ca -0.03 0.47 0.08 0.00 0.00 0.00 0.00 51.96 52.48 1jbj s ALA 77 Cb -0.19 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 1jbj s ALA 77 CO -0.07 -0.57 -0.22 0.50 0.00 0.00 0.00 175.76 175.41 1jbj s ARG 78 N -2.87 1.30 0.03 0.00 3.52 -1.26 -3.80 118.95 115.86 1jbj s ARG 78 Ca -0.03 -1.07 -0.08 0.00 -0.13 0.00 0.00 55.73 54.42 1jbj s ARG 78 Cb -0.00 -1.51 -0.00 0.00 -1.56 0.00 0.00 34.95 31.88 1jbj s ARG 78 CO -0.05 0.37 0.16 0.14 -0.81 0.00 0.00 175.30 175.10 1jbj s VAL 79 N -0.97 0.11 0.00 7.11 -7.23 -1.26 -5.04 120.40 113.11 1jbj s VAL 79 Ca 0.08 -0.87 0.00 0.00 -1.81 0.00 0.00 61.98 59.38 1jbj s VAL 79 Cb -0.09 -0.75 0.00 0.00 0.56 0.00 0.00 36.38 36.10 1jbj s VAL 79 CO 0.03 -0.48 0.00 0.61 -0.31 0.00 0.00 175.10 174.95 1jbj n GLY 80 N 0.96 1.00 2.50 2.32 0.00 -1.26 -2.10 105.19 108.62 1jbj n GLY 80 Ca -0.20 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 1jbj n GLY 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jbj n SER 81 N -2.71 7.94 -2.45 1.61 3.41 -1.26 -4.66 113.62 115.51 1jbj n SER 81 Ca 0.00 -3.19 -0.32 0.00 -0.26 0.00 0.00 58.87 55.10 1jbj n SER 81 Cb 0.00 -1.35 0.04 0.00 -0.26 0.00 0.00 64.21 62.64 1jbj n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jbj n ALA 82 N 1.60 5.81 -2.69 7.33 0.00 -0.89 -4.42 120.51 127.24 1jbj n ALA 82 Ca 0.61 -3.91 -0.00 0.00 0.00 0.00 0.00 53.44 50.14 1jbj n ALA 82 Cb 0.25 -1.23 0.05 0.00 0.00 0.00 0.00 19.45 18.53 1jbj n ALA 82 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jbj n ASP 83 N -0.67 0.73 -0.01 0.00 5.75 -1.26 -4.40 116.55 116.68 1jbj n ASP 83 Ca 0.51 -2.05 -0.00 0.00 -0.01 0.00 0.00 54.79 53.24 1jbj n ASP 83 Cb 0.62 -0.18 -0.04 0.00 -1.03 0.00 0.00 41.12 40.49 1jbj n ASP 83 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1jbj n ASP 84 N -0.54 3.80 -2.66 -1.12 9.92 -1.26 -5.09 116.55 119.60 1jbj n ASP 84 Ca -0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.20 1jbj n ASP 84 Cb 0.87 0.90 0.01 0.00 -0.64 0.00 0.00 41.12 42.26 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 -1.95 -3.10 -2.53 2.24 0.00 -1.26 -4.89 120.51 109.02 1jbj n ALA 85 Ca -0.05 0.93 -0.43 0.00 0.00 0.00 0.00 53.44 53.89 1jbj n ALA 85 Cb 0.42 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 16.99 1jbj n ALA 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jbj n LYS 86 N -0.14 3.56 -3.76 0.00 4.81 -1.26 -4.98 118.16 116.39 1jbj n LYS 86 Ca 0.09 -3.64 -0.37 0.00 -0.87 0.00 0.00 58.31 53.52 1jbj n LYS 86 Cb 0.33 -2.96 -0.06 0.00 0.02 0.00 0.00 35.03 32.36 1jbj n LYS 86 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1jbj s LYS 87 N 0.71 3.71 0.00 1.64 1.02 -1.26 -4.94 119.74 120.62 1jbj s LYS 87 Ca 0.40 -0.02 0.00 0.00 0.02 0.00 0.00 55.97 56.38 1jbj s LYS 87 Cb 0.06 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 1jbj s LYS 87 CO 0.01 0.65 0.00 -0.25 -0.92 0.00 0.00 175.35 174.83 1jbj n ASP 88 N 2.31 0.00 -1.27 2.83 9.92 -1.26 -5.05 116.55 124.03 1jbj n ASP 88 Ca -0.18 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.05 1jbj n ASP 88 Cb 0.54 0.11 -0.00 0.00 -0.64 0.00 0.00 41.12 41.12 1jbj n ASP 88 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jbj n ALA 89 N -1.45 1.41 -3.00 2.24 0.00 -1.26 -5.08 120.51 113.36 1jbj n ALA 89 Ca 0.00 -0.47 0.03 0.00 0.00 0.00 0.00 53.44 52.99 1jbj n ALA 89 Cb 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 19.45 19.02 1jbj n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jbj s ALA 90 N 0.03 -3.59 -0.17 0.00 0.00 -1.26 -5.06 121.76 111.71 1jbj s ALA 90 Ca 0.02 0.98 -0.14 0.00 0.00 0.00 0.00 51.96 52.82 1jbj s ALA 90 Cb 0.09 -2.86 -0.05 0.00 0.00 0.00 0.00 23.12 20.30 1jbj s ALA 90 CO -0.03 -2.27 -0.26 1.63 0.00 0.00 0.00 175.76 174.82 1jbj n LYS 91 N 4.34 0.50 0.17 0.00 5.02 -1.26 -4.68 118.16 122.26 1jbj n LYS 91 Ca 0.08 0.36 -0.13 0.00 -2.02 0.00 0.00 58.31 56.59 1jbj n LYS 91 Cb 0.60 -1.55 -0.08 0.00 -0.02 0.00 0.00 35.03 33.97 1jbj n LYS 91 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1jbj h LYS 92 N -1.00 -0.44 -3.56 1.97 1.79 -1.97 -3.50 116.57 109.86 1jbj h LYS 92 Ca -0.02 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1jbj h LYS 92 Cb 0.80 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 1jbj h LYS 92 CO -0.01 -0.13 -0.85 -3.47 -1.08 0.00 0.00 179.45 173.91 1jbj n ASP 93 N -5.16 -8.42 -1.79 0.86 -0.08 -1.26 -4.99 116.55 95.72 1jbj n ASP 93 Ca -0.10 1.18 0.00 0.00 -1.51 0.00 0.00 54.79 54.36 1jbj n ASP 93 Cb 0.27 -4.39 0.00 0.00 2.34 0.00 0.00 41.12 39.34 1jbj n ASP 93 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1jbj n ASP 94 N -0.12 -8.29 -1.58 1.67 -0.08 -1.26 -4.97 116.55 101.91 1jbj n ASP 94 Ca 0.00 1.20 0.00 0.00 -1.51 0.00 0.00 54.79 54.48 1jbj n ASP 94 Cb 0.00 -4.49 0.00 0.00 2.34 0.00 0.00 41.12 38.97 1jbj n ASP 94 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jbj n ALA 95 N 1.20 -2.19 0.03 -1.67 0.00 -1.26 -5.06 120.51 111.56 1jbj n ALA 95 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1jbj n ALA 95 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1jbj n ALA 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jbj n LYS 96 N 0.36 0.00 -1.85 0.00 0.00 -1.26 -5.02 118.16 110.38 1jbj n LYS 96 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.89 1jbj n LYS 96 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 1jbj n LYS 96 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1jbj s LYS 97 N -2.00 4.17 0.00 1.64 2.47 -1.26 -5.01 119.74 119.75 1jbj s LYS 97 Ca 0.00 2.48 0.00 0.00 -1.56 0.00 0.00 55.97 56.89 1jbj s LYS 97 Cb 0.00 -3.07 0.00 0.00 -1.46 0.00 0.00 37.83 33.30 1jbj s LYS 97 CO 0.00 -0.60 0.00 -0.25 0.16 0.00 0.00 175.35 174.66 1jbj n ASP 98 N 2.80 0.37 -1.44 1.43 8.00 -1.26 -5.05 116.55 121.39 1jbj n ASP 98 Ca 0.10 -0.99 -0.12 0.00 0.71 0.00 0.00 54.79 54.49 1jbj n ASP 98 Cb 0.38 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.58 1jbj n ASP 98 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1jbj n ASP 99 N -2.61 3.62 -3.41 -2.24 5.68 -1.26 -5.04 116.55 111.29 1jbj n ASP 99 Ca 0.00 -3.82 -0.05 0.00 -0.50 0.00 0.00 54.79 50.43 1jbj n ASP 99 Cb 0.00 -0.44 0.01 0.00 -1.14 0.00 0.00 41.12 39.55 1jbj n ASP 99 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jbj s ALA 100 N -3.45 -1.42 -1.34 2.12 0.00 -1.26 -5.07 121.76 111.34 1jbj s ALA 100 Ca 0.46 -0.29 -0.17 0.00 0.00 0.00 0.00 51.96 51.97 1jbj s ALA 100 Cb 0.40 0.71 0.07 0.00 0.00 0.00 0.00 23.12 24.30 1jbj s ALA 100 CO -0.01 -1.04 1.86 1.63 0.00 0.00 0.00 175.76 178.20 1jbj n LYS 101 N -0.59 3.12 0.00 0.00 4.01 -1.26 -4.72 118.16 118.73 1jbj n LYS 101 Ca -0.05 -3.13 0.11 0.00 -0.51 0.00 0.00 58.31 54.73 1jbj n LYS 101 Cb 0.60 -3.42 0.68 0.00 -0.51 0.00 0.00 35.03 32.38 1jbj n LYS 101 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1jbj n LYS 102 N 7.61 0.94 -0.88 1.97 4.81 -1.26 -1.29 118.16 130.06 1jbj n LYS 102 Ca 0.49 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.75 1jbj n LYS 102 Cb 0.44 -1.38 0.11 0.00 0.02 0.00 0.00 35.03 34.22 1jbj n LYS 102 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1jbj n ASP 103 N -0.88 4.23 0.00 3.14 5.75 -1.26 -4.64 116.55 122.89 1jbj n ASP 103 Ca 0.17 -3.14 0.00 0.00 -0.01 0.00 0.00 54.79 51.81 1jbj n ASP 103 Cb 0.08 -0.79 0.00 0.00 -1.03 0.00 0.00 41.12 39.38 1jbj n ASP 103 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jbj n GLY 104 N -0.51 0.98 3.40 6.12 0.00 -1.24 -5.12 105.19 108.83 1jbj n GLY 104 Ca 0.41 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 1jbj n GLY 104 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jbj n SER 105 N 0.00 -1.87 -4.59 1.61 3.41 -0.41 -4.85 113.62 106.92 1jbj n SER 105 Ca 0.00 0.11 -0.42 0.00 -0.26 0.00 0.00 58.87 58.29 1jbj n SER 105 Cb 0.00 -1.16 -0.02 0.00 -0.26 0.00 0.00 64.21 62.77 1jbj n SER 105 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1jbj s GLN 106 N -3.79 3.50 -0.30 4.33 1.11 -1.26 -4.73 119.66 118.52 1jbj s GLN 106 Ca 0.59 0.63 0.02 0.00 0.01 0.00 0.00 55.36 56.61 1jbj s GLN 106 Cb -0.19 -4.04 0.32 0.00 -1.01 0.00 0.00 33.01 28.09 1jbj s GLN 106 CO 0.66 -1.68 1.42 -2.37 0.01 0.00 0.00 175.29 173.33 1jbj n THR 107 N 6.93 0.00 -1.36 -0.19 5.66 -1.26 -5.15 114.28 118.90 1jbj n THR 107 Ca 0.13 -0.50 0.17 0.00 -3.05 0.00 0.00 64.05 60.81 1jbj n THR 107 Cb 0.49 1.00 -0.07 0.00 -1.55 0.00 0.00 70.33 70.20 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 0.74 -8.15 -3.17 1.09 4.13 -1.26 -4.81 115.26 103.82 1jbj n ASN 108 Ca -0.06 1.00 -0.19 0.00 1.68 0.00 0.00 54.58 57.01 1jbj n ASN 108 Cb 0.76 -4.43 -0.03 0.00 -1.54 0.00 0.00 39.78 34.54 1jbj n ASN 108 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1jbj n LYS 109 N -4.21 1.16 -2.67 3.52 5.02 -1.26 -4.97 118.16 114.76 1jbj n LYS 109 Ca -0.04 -3.51 -0.03 0.00 -2.02 0.00 0.00 58.31 52.71 1jbj n LYS 109 Cb 0.64 -1.75 0.04 0.00 -0.02 0.00 0.00 35.03 33.94 1jbj n LYS 109 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jbj s ALA 110 N -2.49 -4.68 -0.72 7.82 0.00 -1.26 -5.04 121.76 115.39 1jbj s ALA 110 Ca 0.41 0.68 -0.01 0.00 0.00 0.00 0.00 51.96 53.03 1jbj s ALA 110 Cb 0.34 -3.01 0.41 0.00 0.00 0.00 0.00 23.12 20.86 1jbj s ALA 110 CO -0.09 -2.55 1.98 1.63 0.00 0.00 0.00 175.76 176.73 1jbj n LYS 111 N 2.58 2.77 -3.65 0.00 4.01 -1.26 -4.87 118.16 117.74 1jbj n LYS 111 Ca 0.11 -3.45 -0.12 0.00 -0.51 0.00 0.00 58.31 54.34 1jbj n LYS 111 Cb 0.66 -2.28 -0.12 0.00 -0.51 0.00 0.00 35.03 32.78 1jbj n LYS 111 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 1jbj s ASN 112 N -1.63 0.19 0.08 4.39 3.04 -1.26 -5.05 114.94 114.71 1jbj s ASN 112 Ca 0.59 0.68 0.00 0.00 0.04 0.00 0.00 52.86 54.17 1jbj s ASN 112 Cb 0.47 0.90 0.00 0.00 -1.54 0.00 0.00 41.25 41.09 1jbj s ASN 112 CO -0.18 -0.24 0.00 0.18 -3.04 0.00 0.00 177.10 173.82 1jbj n LEU 113 N 5.36 0.29 -4.58 3.21 4.32 -1.26 -5.08 117.00 119.27 1jbj n LEU 113 Ca -0.07 0.13 -0.34 0.00 -0.02 0.00 0.00 56.01 55.71 1jbj n LEU 113 Cb 0.50 -0.02 -0.11 0.00 -1.62 0.00 0.00 43.42 42.16 1jbj n LEU 113 CO 0.02 -0.63 -0.33 -0.69 -1.22 0.00 0.00 177.39 174.54 1jbj s VAL 114 N -1.47 4.11 -0.10 4.08 1.01 -1.26 -4.60 120.40 122.17 1jbj s VAL 114 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 1jbj s VAL 114 Cb 0.00 -2.77 0.04 0.00 0.00 0.00 0.00 36.38 33.65 1jbj s VAL 114 CO 0.00 0.53 0.08 -1.58 0.00 0.00 0.00 175.10 174.13 1jbj s GLN 115 N -0.12 -0.01 0.15 2.72 0.74 -1.16 -5.05 119.66 116.94 1jbj s GLN 115 Ca 0.03 0.18 -0.18 0.00 0.05 0.00 0.00 55.36 55.44 1jbj s GLN 115 Cb -0.13 -1.10 -0.07 0.00 1.10 0.00 0.00 33.01 32.81 1jbj s GLN 115 CO 0.02 -0.49 0.63 0.14 -0.55 0.00 0.00 175.29 175.05 1jbj s VAL 116 N 2.16 4.69 0.35 1.34 -7.23 -1.26 -2.41 120.40 118.04 1jbj s VAL 116 Ca 0.04 1.17 -0.04 0.00 -1.81 0.00 0.00 61.98 61.34 1jbj s VAL 116 Cb -0.14 -3.86 -0.04 0.00 0.56 0.00 0.00 36.38 32.90 1jbj s VAL 116 CO -0.06 0.35 0.61 -1.81 -0.31 0.00 0.00 175.10 173.88 1jbj s ASP 117 N -1.46 6.37 0.00 4.85 1.01 0.25 -4.88 116.67 122.82 1jbj s ASP 117 Ca 0.36 0.70 0.00 0.00 0.71 0.00 0.00 52.55 54.33 1jbj s ASP 117 Cb -0.18 -2.14 0.00 0.00 1.01 0.00 0.00 42.92 41.61 1jbj s ASP 117 CO 0.20 -0.31 0.00 0.61 0.21 0.00 0.00 175.17 175.88 1jbj n GLY 118 N -1.46 0.01 3.41 0.21 0.00 -1.26 -2.13 105.19 103.97 1jbj n GLY 118 Ca -0.02 -0.01 -0.45 0.00 0.00 0.00 0.00 46.02 45.54 1jbj n GLY 118 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jbj s SER 119 N -3.04 6.92 -0.13 1.61 0.01 -1.26 -3.66 113.70 114.14 1jbj s SER 119 Ca 0.00 -2.76 0.16 0.00 1.31 0.00 0.00 55.95 54.66 1jbj s SER 119 Cb 0.00 -2.32 0.60 0.00 0.21 0.00 0.00 66.02 64.51 1jbj s SER 119 CO 0.00 -0.71 1.51 0.54 0.41 0.00 0.00 173.24 174.99 1jbj n ARG 120 N 4.97 3.49 0.00 12.44 5.12 -1.26 -4.96 116.66 136.46 1jbj n ARG 120 Ca 0.25 -2.76 0.00 0.00 -1.93 0.00 0.00 57.85 53.42 1jbj n ARG 120 Cb 0.45 -1.81 0.00 0.00 -1.16 0.00 0.00 32.46 29.94 1jbj n ARG 120 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jbj n GLY 121 N 0.45 2.72 0.08 -0.13 0.00 -1.26 -4.59 105.19 102.46 1jbj n GLY 121 Ca 0.22 -0.66 0.04 0.00 0.00 0.00 0.00 46.02 45.62 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 2.04 0.61 0.00 1.61 8.00 -1.26 -4.97 116.55 122.57 1jbj n ASP 122 Ca 0.00 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1jbj n ASP 122 Cb 0.00 0.67 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 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 1.35 1.81 3.88 0.44 0.00 -1.26 -5.05 105.19 106.36 1jbj n GLY 123 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1jbj n GLY 123 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jbj s SER 124 N -2.00 6.57 -0.15 1.61 0.15 -1.24 -2.22 113.70 116.41 1jbj s SER 124 Ca 0.00 0.91 -0.06 0.00 0.70 0.00 0.00 55.95 57.49 1jbj s SER 124 Cb 0.00 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 62.05 1jbj s SER 124 CO 0.00 -0.16 0.06 -0.69 1.20 0.00 0.00 173.24 173.65 1jbj s VAL 125 N -1.98 4.81 -0.27 4.45 1.01 0.15 -3.98 120.40 124.59 1jbj s VAL 125 Ca 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1jbj s VAL 125 Cb -0.11 -3.12 0.08 0.00 0.00 0.00 0.00 36.38 33.23 1jbj s VAL 125 CO 0.25 0.52 0.02 -0.76 0.00 0.00 0.00 175.10 175.13 1jbj s LEU 126 N -0.12 2.60 -0.48 3.92 1.02 -0.91 -2.68 118.68 122.02 1jbj s LEU 126 Ca 0.07 -1.42 -0.29 0.00 0.02 0.00 0.00 54.13 52.52 1jbj s LEU 126 Cb -0.12 -1.07 0.03 0.00 0.02 0.00 0.00 46.19 45.05 1jbj s LEU 126 CO 0.01 -0.32 1.13 -0.22 0.02 0.00 0.00 176.35 176.97 1jbj s LEU 127 N 1.46 3.64 -0.11 1.79 0.20 -0.34 0.88 118.68 126.19 1jbj s LEU 127 Ca 0.02 0.43 -0.11 0.00 0.69 0.00 0.00 54.13 55.16 1jbj s LEU 127 Cb -0.18 -3.52 -0.05 0.00 -0.43 0.00 0.00 46.19 42.02 1jbj s LEU 127 CO -0.13 -1.26 0.25 0.42 -0.29 0.00 0.00 176.35 175.34 1jbj s THR 128 N 4.47 5.32 0.00 3.68 -4.23 -1.01 0.14 115.64 124.00 1jbj s THR 128 Ca 0.47 0.47 0.00 0.00 -1.18 0.00 0.00 61.69 61.45 1jbj s THR 128 Cb -0.07 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1jbj s THR 128 CO 0.31 0.51 0.00 0.00 -0.54 0.00 0.00 174.62 174.91 1jbj n GLY 130 N 0.00 2.60 2.55 0.00 0.00 -1.26 -4.64 105.19 104.44 1jbj n GLY 130 Ca 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 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 -6.65 -1.53 0.99 7.99 -1.26 -3.61 117.00 112.92 1jbj n LEU 131 Ca 0.00 0.44 -0.19 0.00 -0.01 0.00 0.00 56.01 56.25 1jbj n LEU 131 Cb 0.00 -2.88 -0.08 0.00 -0.11 0.00 0.00 43.42 40.36 1jbj n LEU 131 CO 0.00 -1.86 -0.19 0.35 -1.51 0.00 0.00 177.39 174.18 1jbj n THR 132 N -0.32 -0.07 -3.87 -5.08 -2.24 -1.26 -4.93 114.28 96.51 1jbj n THR 132 Ca 0.09 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.53 1jbj n THR 132 Cb 0.35 -1.94 -0.05 0.00 -2.10 0.00 0.00 70.33 66.59 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 -2.75 6.40 0.00 3.42 1.01 -1.24 -4.98 116.67 118.54 1jbj s ASP 133 Ca 0.00 0.40 0.30 0.00 0.71 0.00 0.00 52.55 53.95 1jbj s ASP 133 Cb 0.00 -2.02 1.39 0.00 1.01 0.00 0.00 42.92 43.29 1jbj s ASP 133 CO 0.00 0.26 1.94 1.17 0.21 0.00 0.00 175.17 178.75 1jbj n LYS 134 N 0.99 1.29 -4.13 8.23 3.00 -1.26 -4.75 118.16 121.53 1jbj n LYS 134 Ca -0.11 -0.51 -0.21 0.00 -0.00 0.00 0.00 58.31 57.48 1jbj n LYS 134 Cb 0.53 -1.49 -0.17 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 -2.06 0.61 -0.22 3.15 2.01 -1.26 -4.91 115.64 112.96 1jbj s THR 135 Ca 0.40 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.28 1jbj s THR 135 Cb 0.21 -0.64 0.05 0.00 0.01 0.00 0.00 72.50 72.13 1jbj s THR 135 CO 0.37 0.25 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.85 1jbj s ILE 136 N 1.10 1.59 -0.37 1.82 -1.09 -1.26 -4.27 121.20 118.72 1jbj s ILE 136 Ca -0.08 -1.14 -0.12 0.00 -2.23 0.00 0.00 60.65 57.09 1jbj s ILE 136 Cb -0.14 -1.77 0.02 0.00 -1.58 0.00 0.00 42.46 38.99 1jbj s ILE 136 CO -0.01 0.02 0.22 -0.54 -1.23 0.00 0.00 174.94 173.40 1jbj s LYS 137 N 1.39 2.96 0.01 2.79 1.02 -0.83 -4.97 119.74 122.10 1jbj s LYS 137 Ca -0.04 -1.00 -0.00 0.00 0.02 0.00 0.00 55.97 54.95 1jbj s LYS 137 Cb -0.18 -3.76 -0.04 0.00 -0.52 0.00 0.00 37.83 33.34 1jbj s LYS 137 CO -0.07 -0.66 0.09 -0.46 -0.92 0.00 0.00 175.35 173.34 1jbj s TRP 138 N 1.59 3.30 0.21 3.18 -0.11 -1.26 -1.00 118.94 124.85 1jbj s TRP 138 Ca 0.03 0.20 0.03 0.00 1.22 0.00 0.00 56.10 57.58 1jbj s TRP 138 Cb -0.19 -1.73 -0.05 0.00 -1.50 0.00 0.00 33.47 30.00 1jbj s TRP 138 CO 0.07 0.55 -0.00 -0.51 -4.62 0.00 0.00 176.95 172.45 1jbj s LEU 139 N -1.86 2.15 -0.20 5.86 1.02 -0.65 -2.60 118.68 122.41 1jbj s LEU 139 Ca 0.24 -1.20 -0.02 0.00 0.02 0.00 0.00 54.13 53.17 1jbj s LEU 139 Cb -0.12 -0.19 0.06 0.00 0.02 0.00 0.00 46.19 45.96 1jbj s LEU 139 CO 0.16 -0.53 0.00 -0.75 0.02 0.00 0.00 176.35 175.25 1jbj s LYS 140 N -3.88 0.98 -1.05 1.70 2.20 0.35 -1.88 119.74 118.15 1jbj s LYS 140 Ca 0.27 -0.58 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 1jbj s LYS 140 Cb 0.06 -2.22 0.00 0.00 -1.51 0.00 0.00 37.83 34.15 1jbj s LYS 140 CO 0.07 -0.61 0.00 -0.25 -0.36 0.00 0.00 175.35 174.20 1jbj n ASP 141 N 4.93 -3.67 0.00 1.43 8.00 -1.26 -0.02 116.55 125.97 1jbj n ASP 141 Ca -0.10 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1jbj n ASP 141 Cb 0.46 -3.18 0.00 0.00 -0.02 0.00 0.00 41.12 38.38 1jbj n ASP 141 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jbj n GLY 142 N -0.69 0.96 3.47 0.44 0.00 -1.26 -5.09 105.19 103.02 1jbj n GLY 142 Ca -0.14 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.03 3.77 -0.17 1.61 0.15 0.98 -5.11 113.70 112.90 1jbj s SER 143 Ca 0.00 -0.63 -0.23 0.00 0.70 0.00 0.00 55.95 55.79 1jbj s SER 143 Cb 0.00 -0.47 -0.02 0.00 -1.71 0.00 0.00 66.02 63.82 1jbj s SER 143 CO 0.00 0.17 0.73 -0.63 1.20 0.00 0.00 173.24 174.70 1jbj s ILE 144 N -1.23 4.96 -0.23 6.45 1.09 -1.26 0.13 121.20 131.11 1jbj s ILE 144 Ca 0.18 1.41 -0.04 0.00 -1.10 0.00 0.00 60.65 61.11 1jbj s ILE 144 Cb -0.10 -4.04 0.08 0.00 -1.06 0.00 0.00 42.46 37.34 1jbj s ILE 144 CO 0.10 0.09 0.10 -0.51 -0.10 0.00 0.00 174.94 174.61 1jbj s ILE 145 N 1.89 0.08 0.22 2.92 2.07 -1.07 -4.91 121.20 122.40 1jbj s ILE 145 Ca 0.34 -0.53 0.10 0.00 -1.41 0.00 0.00 60.65 59.14 1jbj s ILE 145 Cb -0.16 -0.87 -0.04 0.00 0.13 0.00 0.00 42.46 41.51 1jbj s ILE 145 CO 0.12 -0.46 -0.09 -0.94 -1.91 0.00 0.00 174.94 171.65 1jbj s SER 146 N 2.04 4.19 0.75 4.50 1.04 -1.26 -4.42 113.70 120.55 1jbj s SER 146 Ca 0.05 -0.68 -0.11 0.00 0.48 0.00 0.00 55.95 55.68 1jbj s SER 146 Cb -0.16 -0.67 0.04 0.00 0.10 0.00 0.00 66.02 65.33 1jbj s SER 146 CO -0.20 0.07 1.10 -2.16 0.98 0.00 0.00 173.24 173.02 1jbj s PRO 147 N -3.16 2.49 -0.31 4.02 0.04 -1.26 -5.06 135.00 131.76 1jbj s PRO 147 Ca 0.27 0.52 -0.01 0.00 0.04 0.00 0.00 61.00 61.82 1jbj s PRO 147 Cb -0.08 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.55 1jbj s PRO 147 CO 0.16 -1.31 0.01 -1.17 0.04 0.00 0.00 177.00 174.73 1jbj s LEU 148 N -5.55 4.06 -0.65 -3.56 1.98 -1.26 -4.59 118.68 109.12 1jbj s LEU 148 Ca 0.59 -1.43 -0.00 0.00 -2.89 0.00 0.00 54.13 50.40 1jbj s LEU 148 Cb -0.12 -1.70 0.00 0.00 0.66 0.00 0.00 46.19 45.02 1jbj s LEU 148 CO 0.53 -0.29 0.02 -3.20 -1.89 0.00 0.00 176.35 171.51 1jbj n ASN 149 N 4.57 -2.83 -3.73 3.68 2.85 -1.26 -5.03 115.26 113.51 1jbj n ASN 149 Ca -0.11 -0.02 -0.12 0.00 -0.11 0.00 0.00 54.58 54.22 1jbj n ASN 149 Cb 0.43 -2.12 -0.11 0.00 1.24 0.00 0.00 39.78 39.22 1jbj n ASN 149 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1jbj s ALA 150 N -2.41 -0.88 -0.40 5.20 0.00 -1.26 -5.09 121.76 116.91 1jbj s ALA 150 Ca 0.01 1.16 0.01 0.00 0.00 0.00 0.00 51.96 53.14 1jbj s ALA 150 Cb -0.00 -0.69 0.26 0.00 0.00 0.00 0.00 23.12 22.68 1jbj s ALA 150 CO 0.01 -0.20 1.08 -2.37 0.00 0.00 0.00 175.76 174.28 1jbj n THR 151 N 3.50 0.00 -1.87 0.00 5.66 -1.26 -4.62 114.28 115.69 1jbj n THR 151 Ca -0.18 -1.04 -0.34 0.00 -3.05 0.00 0.00 64.05 59.44 1jbj n THR 151 Cb 0.56 1.27 0.04 0.00 -1.55 0.00 0.00 70.33 70.65 1jbj n THR 151 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1jbj n LYS 152 N 1.58 3.00 -1.43 1.09 4.81 -1.26 -4.82 118.16 121.13 1jbj n LYS 152 Ca 0.05 -3.74 -0.15 0.00 -0.87 0.00 0.00 58.31 53.60 1jbj n LYS 152 Cb 0.67 -2.27 -0.06 0.00 0.02 0.00 0.00 35.03 33.38 1jbj n LYS 152 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1jbj n ASN 153 N -0.67 -5.59 -4.08 3.14 5.15 -1.26 -4.93 115.26 107.03 1jbj n ASN 153 Ca 0.52 0.36 -0.27 0.00 -0.60 0.00 0.00 54.58 54.60 1jbj n ASN 153 Cb 0.55 -4.38 -0.07 0.00 -0.53 0.00 0.00 39.78 35.35 1jbj n ASN 153 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1jbj n THR 154 N -2.30 0.00 -4.26 -0.44 -2.24 -1.26 -2.19 114.28 101.59 1jbj n THR 154 Ca -0.15 -2.29 -0.19 0.00 -2.27 0.00 0.00 64.05 59.15 1jbj n THR 154 Cb 0.62 0.68 -0.15 0.00 -2.10 0.00 0.00 70.33 69.38 1jbj n THR 154 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1jbj s TRP 155 N -2.92 0.74 -0.48 4.78 -0.00 0.38 -4.84 118.94 116.60 1jbj s TRP 155 Ca 0.12 -0.17 -0.29 0.00 -0.00 0.00 0.00 56.10 55.76 1jbj s TRP 155 Cb 0.01 -0.55 0.03 0.00 -0.00 0.00 0.00 33.47 32.95 1jbj s TRP 155 CO 0.09 -0.09 1.12 1.21 -0.00 0.00 0.00 176.95 179.27 1jbj s ASN 156 N 0.28 6.61 -0.20 5.86 2.47 -1.26 -1.20 114.94 127.50 1jbj s ASN 156 Ca -0.04 0.42 0.13 0.00 0.42 0.00 0.00 52.86 53.79 1jbj s ASN 156 Cb -0.08 -2.54 -0.21 0.00 -1.45 0.00 0.00 41.25 36.97 1jbj s ASN 156 CO 0.00 -1.24 0.00 0.18 -3.72 0.00 0.00 177.10 172.33 1jbj n LEU 157 N 7.78 0.65 0.00 3.21 4.77 -1.09 -5.01 117.00 127.30 1jbj n LEU 157 Ca 0.11 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1jbj n LEU 157 Cb 0.49 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1jbj n LEU 157 CO 0.71 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.94 1jbj n GLY 158 N 1.96 0.44 3.54 -0.72 0.00 -1.25 -4.03 105.19 105.13 1jbj n GLY 158 Ca -0.33 -2.24 -0.43 0.00 0.00 0.00 0.00 46.02 43.02 1jbj n GLY 158 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jbj s ASN 159 N -4.00 6.41 0.50 1.61 3.84 -1.26 0.34 114.94 122.38 1jbj s ASN 159 Ca 0.00 -0.10 0.40 0.00 0.21 0.00 0.00 52.86 53.37 1jbj s ASN 159 Cb 0.00 -2.37 1.58 0.00 -0.55 0.00 0.00 41.25 39.91 1jbj s ASN 159 CO 0.00 -0.85 1.63 -0.55 -2.79 0.00 0.00 177.10 174.54 1jbj h ASN 160 N 8.88 0.11 -0.74 -4.21 7.08 -1.77 1.05 115.58 125.97 1jbj h ASN 160 Ca -0.25 0.06 0.08 0.00 -3.08 0.00 0.00 56.30 53.11 1jbj h ASN 160 Cb 1.09 0.05 -0.05 0.00 -2.08 0.00 0.00 38.32 37.34 1jbj h ASN 160 CO 0.93 -0.08 0.49 0.00 -2.08 0.00 0.00 177.43 176.69 1jbj h ALA 161 N 1.32 1.73 0.00 4.14 0.00 -1.91 -3.35 119.26 121.19 1jbj h ALA 161 Ca 0.83 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 55.49 1jbj h ALA 161 Cb 3.03 -0.18 -0.15 0.00 0.00 0.00 0.00 17.79 20.49 1jbj h ALA 161 CO -0.19 0.14 -0.43 1.17 0.00 0.00 0.00 179.25 179.95 1jbj n LYS 162 N -4.49 1.04 -4.30 0.00 4.81 0.31 -4.96 118.16 110.59 1jbj n LYS 162 Ca 0.11 -1.91 -0.31 0.00 -0.87 0.00 0.00 58.31 55.34 1jbj n LYS 162 Cb 0.26 -0.89 -0.10 0.00 0.02 0.00 0.00 35.03 34.33 1jbj n LYS 162 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1jbj s ASP 163 N -1.26 4.62 0.64 3.14 -4.77 0.15 -4.67 116.67 114.53 1jbj s ASP 163 Ca 0.22 -0.25 -0.17 0.00 -3.30 0.00 0.00 52.55 49.05 1jbj s ASP 163 Cb 0.31 -1.01 -0.03 0.00 -1.09 0.00 0.00 42.92 41.10 1jbj s ASP 163 CO -0.06 0.22 0.98 -2.65 0.70 0.00 0.00 175.17 174.36 1jbj n PRO 164 N 1.01 0.79 -4.22 2.11 -0.02 -1.26 -4.58 135.00 128.82 1jbj n PRO 164 Ca -0.14 0.32 -0.13 0.00 -2.02 0.00 0.00 63.50 61.53 1jbj n PRO 164 Cb 0.52 -2.21 -0.10 0.00 -0.02 0.00 0.00 33.50 31.70 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 -2.97 1.16 0.00 -0.52 1.04 -1.26 -4.90 118.95 111.50 1jbj s ARG 165 Ca 0.76 -1.59 0.00 0.00 -1.04 0.00 0.00 55.73 53.86 1jbj s ARG 165 Cb -0.39 0.04 0.00 0.00 -2.04 0.00 0.00 34.95 32.56 1jbj s ARG 165 CO 0.47 -0.29 0.00 0.41 -0.04 0.00 0.00 175.30 175.85 1jbj n GLY 166 N -0.27 -0.19 3.55 3.88 0.00 -0.98 -5.01 105.19 106.18 1jbj n GLY 166 Ca -0.02 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 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 -4.00 4.02 -0.07 2.61 -4.23 -1.25 -1.04 115.64 111.68 1jbj s THR 167 Ca 0.00 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.19 1jbj s THR 167 Cb 0.00 -2.74 0.02 0.00 1.34 0.00 0.00 72.50 71.12 1jbj s THR 167 CO 0.00 0.53 -0.05 -0.31 -0.54 0.00 0.00 174.62 174.24 1jbj s TYR 168 N -0.02 0.97 0.10 3.99 2.02 0.34 -4.20 117.35 120.56 1jbj s TYR 168 Ca 0.02 -0.35 -0.15 0.00 -0.37 0.00 0.00 57.07 56.22 1jbj s TYR 168 Cb -0.13 -0.86 -0.07 0.00 -0.40 0.00 0.00 41.96 40.50 1jbj s TYR 168 CO 0.02 -0.29 0.51 -0.65 -1.57 0.00 0.00 175.55 173.58 1jbj s GLN 169 N 1.24 3.99 0.05 -0.62 -0.21 -0.79 0.16 119.66 123.47 1jbj s GLN 169 Ca -0.05 0.49 0.06 0.00 0.02 0.00 0.00 55.36 55.88 1jbj s GLN 169 Cb -0.14 -3.05 -0.03 0.00 1.00 0.00 0.00 33.01 30.79 1jbj s GLN 169 CO -0.02 0.55 -0.13 0.00 -2.12 0.00 0.00 175.29 173.57 1jbj s GLN 171 N -1.63 0.13 0.24 0.00 0.74 -0.17 -1.55 119.66 117.42 1jbj s GLN 171 Ca 0.17 -0.06 0.07 0.00 0.05 0.00 0.00 55.36 55.59 1jbj s GLN 171 Cb -0.11 -1.51 -0.04 0.00 1.10 0.00 0.00 33.01 32.45 1jbj s GLN 171 CO 0.08 -0.73 0.17 0.20 -0.55 0.00 0.00 175.29 174.46 1jbj s GLY 172 N 2.20 1.47 0.08 2.59 0.00 0.33 -1.96 107.32 112.02 1jbj s GLY 172 Ca 0.05 -1.40 -0.15 0.00 0.00 0.00 0.00 44.72 43.21 1jbj s GLY 172 CO -0.15 -1.44 0.77 0.00 0.00 0.00 0.00 173.10 172.28 1jbj n ALA 173 N -1.03 -0.32 -0.97 3.20 0.00 -1.26 -2.00 120.51 118.13 1jbj n ALA 173 Ca -0.08 0.42 0.02 0.00 0.00 0.00 0.00 53.44 53.81 1jbj n ALA 173 Cb 0.57 -0.07 0.03 0.00 0.00 0.00 0.00 19.45 19.99 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 -4.62 1.11 -3.66 0.00 4.81 -1.26 -4.99 118.16 109.55 1jbj n LYS 174 Ca 0.01 -1.35 -0.27 0.00 -0.87 0.00 0.00 58.31 55.83 1jbj n LYS 174 Cb 0.13 -0.86 -0.17 0.00 0.02 0.00 0.00 35.03 34.15 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 -0.91 0.32 -0.14 1.64 2.02 -0.85 -5.13 118.70 115.65 1jbj s GLU 175 Ca 0.07 -0.24 -0.01 0.00 0.02 0.00 0.00 54.97 54.80 1jbj s GLU 175 Cb 0.06 -1.93 -0.02 0.00 0.10 0.00 0.00 34.13 32.34 1jbj s GLU 175 CO 0.01 -0.67 -0.10 0.99 0.02 0.00 0.00 175.26 175.51 1jbj s THR 176 N 2.02 3.31 0.28 3.63 2.01 -1.26 0.12 115.64 125.75 1jbj s THR 176 Ca 0.01 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.50 1jbj s THR 176 Cb -0.16 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 1jbj s THR 176 CO -0.09 0.51 0.41 -0.44 -0.69 0.00 0.00 174.62 174.32 1jbj s SER 177 N 0.44 6.22 0.69 3.53 0.01 -0.59 -4.94 113.70 119.05 1jbj s SER 177 Ca -0.08 0.05 -0.08 0.00 1.31 0.00 0.00 55.95 57.15 1jbj s SER 177 Cb -0.15 -1.71 0.04 0.00 0.21 0.00 0.00 66.02 64.40 1jbj s SER 177 CO 0.04 -0.20 1.03 0.20 0.41 0.00 0.00 173.24 174.72 1jbj s ASN 178 N -4.04 5.11 -0.35 2.44 0.02 -1.26 -2.90 114.94 113.96 1jbj s ASN 178 Ca 0.38 0.71 -0.34 0.00 -1.02 0.00 0.00 52.86 52.59 1jbj s ASN 178 Cb -0.09 -1.46 -0.10 0.00 0.02 0.00 0.00 41.25 39.61 1jbj s ASN 178 CO 0.30 -1.45 2.21 -0.81 0.02 0.00 0.00 177.10 177.38 1jbj n PRO 179 N -2.91 1.18 -2.73 -0.60 -0.04 -1.26 -4.33 135.00 124.31 1jbj n PRO 179 Ca 0.07 0.31 -0.42 0.00 -0.04 0.00 0.00 63.50 63.42 1jbj n PRO 179 Cb 0.59 -2.59 -0.03 0.00 -0.04 0.00 0.00 33.50 31.43 1jbj n PRO 179 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1jbj s LEU 180 N 7.67 4.30 -0.86 1.53 2.96 0.41 -4.63 118.68 130.07 1jbj s LEU 180 Ca 1.09 1.54 -0.18 0.00 -0.22 0.00 0.00 54.13 56.36 1jbj s LEU 180 Cb -0.77 -3.51 0.14 0.00 0.50 0.00 0.00 46.19 42.55 1jbj s LEU 180 CO 0.46 -0.35 1.00 -1.58 -1.32 0.00 0.00 176.35 174.56 1jbj s GLN 181 N 1.53 3.51 -0.58 1.98 0.74 -1.26 -0.50 119.66 125.08 1jbj s GLN 181 Ca 0.49 -1.79 -0.20 0.00 0.05 0.00 0.00 55.36 53.90 1jbj s GLN 181 Cb -0.19 -4.70 0.08 0.00 1.10 0.00 0.00 33.01 29.30 1jbj s GLN 181 CO 0.22 -1.65 0.74 0.08 -0.55 0.00 0.00 175.29 174.13 1jbj s VAL 182 N 2.27 4.72 -0.13 1.34 1.01 -0.20 0.88 120.40 130.29 1jbj s VAL 182 Ca 0.27 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 1jbj s VAL 182 Cb -0.09 -4.48 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 1jbj s VAL 182 CO -0.06 -1.11 0.14 -0.47 0.00 0.00 0.00 175.10 173.59 1jbj s TYR 183 N 2.97 3.56 0.00 5.22 6.14 -0.94 -2.31 117.35 132.00 1jbj s TYR 183 Ca 0.15 0.49 0.00 0.00 0.64 0.00 0.00 57.07 58.35 1jbj s TYR 183 Cb -0.21 -1.98 0.00 0.00 0.42 0.00 0.00 41.96 40.19 1jbj s TYR 183 CO 0.09 0.65 0.00 0.66 0.64 0.00 0.00 175.55 177.59 1jbj n TYR 184 N 2.27 0.00 -3.61 4.97 4.01 -1.25 -1.83 117.16 121.71 1jbj n TYR 184 Ca -0.19 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.53 1jbj n TYR 184 Cb 0.54 0.21 -0.06 0.00 -0.31 0.00 0.00 39.34 39.72 1jbj n TYR 184 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1jbj s ARG 185 N -1.66 0.41 0.00 -0.72 3.52 -1.26 -4.69 118.95 114.54 1jbj s ARG 185 Ca 0.00 0.74 0.24 0.00 -0.13 0.00 0.00 55.73 56.59 1jbj s ARG 185 Cb 0.00 0.15 1.44 0.00 -1.56 0.00 0.00 34.95 34.99 1jbj s ARG 185 CO 0.00 -0.09 1.81 -0.12 -0.81 0.00 0.00 175.30 176.09