#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 -8.27 -1.46 1.67 9.92 -1.26 -4.99 116.55 112.16 1jbj n ASP 2 Ca 0.00 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.41 1jbj n ASP 2 Cb 0.00 -4.22 0.00 0.00 -0.64 0.00 0.00 41.12 36.26 1jbj n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jbj n ALA 3 N -0.01 -1.90 -2.27 2.24 0.00 -1.26 -5.05 120.51 112.27 1jbj n ALA 3 Ca 0.00 0.42 -0.14 0.00 0.00 0.00 0.00 53.44 53.72 1jbj n ALA 3 Cb 0.00 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.01 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 -4.10 1.04 -0.39 0.00 2.12 -1.26 -4.95 118.70 111.15 1jbj s GLU 4 Ca 0.00 -1.42 -0.10 0.00 0.36 0.00 0.00 54.97 53.81 1jbj s GLU 4 Cb 0.00 -0.61 0.01 0.00 0.26 0.00 0.00 34.13 33.80 1jbj s GLU 4 CO 0.00 0.07 0.49 -1.71 -0.54 0.00 0.00 175.26 173.58 1jbj n ASN 5 N -0.13 -6.72 -5.02 -1.70 2.85 -1.26 -5.02 115.26 98.27 1jbj n ASN 5 Ca -0.11 0.33 -0.19 0.00 -0.11 0.00 0.00 54.58 54.50 1jbj n ASN 5 Cb 0.60 -4.49 0.05 0.00 1.24 0.00 0.00 39.78 37.18 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 -2.43 2.40 0.74 -1.44 -1.09 -1.26 -4.95 121.20 113.16 1jbj s ILE 6 Ca 0.16 -0.99 -0.10 0.00 -2.23 0.00 0.00 60.65 57.48 1jbj s ILE 6 Cb -0.04 -2.41 0.05 0.00 -1.58 0.00 0.00 42.46 38.47 1jbj s ILE 6 CO 0.61 0.00 1.10 -1.61 -1.23 0.00 0.00 174.94 173.81 1jbj s GLU 7 N -4.59 2.37 0.34 2.79 2.02 -1.26 -4.59 118.70 115.79 1jbj s GLU 7 Ca 0.60 0.16 -0.29 0.00 0.02 0.00 0.00 54.97 55.46 1jbj s GLU 7 Cb -0.07 -2.04 -0.11 0.00 0.10 0.00 0.00 34.13 32.01 1jbj s GLU 7 CO 0.37 -1.28 1.54 0.66 0.02 0.00 0.00 175.26 176.57 1jbj n TYR 8 N -3.09 2.93 -4.04 1.61 4.01 -1.26 -4.85 117.16 112.46 1jbj n TYR 8 Ca 0.07 0.36 -0.33 0.00 -0.16 0.00 0.00 57.90 57.84 1jbj n TYR 8 Cb 0.59 -2.56 -0.15 0.00 -0.31 0.00 0.00 39.34 36.91 1jbj n TYR 8 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1jbj s LYS 9 N -1.35 2.79 -0.05 -0.72 1.02 -1.05 -4.88 119.74 115.50 1jbj s LYS 9 Ca 0.58 -0.98 0.01 0.00 0.02 0.00 0.00 55.97 55.60 1jbj s LYS 9 Cb -0.49 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 33.99 1jbj s LYS 9 CO 0.57 -0.35 -0.06 0.08 -0.92 0.00 0.00 175.35 174.66 1jbj s VAL 10 N 1.27 3.75 -0.21 3.17 1.01 -1.26 0.64 120.40 128.77 1jbj s VAL 10 Ca 0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 1jbj s VAL 10 Cb -0.16 -2.56 0.09 0.00 0.00 0.00 0.00 36.38 33.75 1jbj s VAL 10 CO -0.08 0.54 0.46 -0.44 0.00 0.00 0.00 175.10 175.59 1jbj s SER 11 N -0.98 -0.44 -0.19 3.32 0.01 -0.69 -4.96 113.70 109.77 1jbj s SER 11 Ca 0.14 1.09 -0.26 0.00 1.31 0.00 0.00 55.95 58.23 1jbj s SER 11 Cb -0.11 1.46 -0.01 0.00 0.21 0.00 0.00 66.02 67.57 1jbj s SER 11 CO 0.03 -0.23 0.88 -0.63 0.41 0.00 0.00 173.24 173.70 1jbj s ILE 12 N 2.53 4.83 -0.23 1.44 1.01 -1.26 -0.99 121.20 128.53 1jbj s ILE 12 Ca -0.03 1.71 0.01 0.00 0.00 0.00 0.00 60.65 62.34 1jbj s ILE 12 Cb -0.12 -4.17 0.05 0.00 0.01 0.00 0.00 42.46 38.24 1jbj s ILE 12 CO -0.14 -0.03 -0.08 -0.44 0.00 0.00 0.00 174.94 174.25 1jbj s SER 13 N 1.20 3.87 -1.02 3.58 0.01 0.67 -4.86 113.70 117.15 1jbj s SER 13 Ca 0.39 -1.15 -0.16 0.00 1.31 0.00 0.00 55.95 56.35 1jbj s SER 13 Cb -0.16 -1.29 0.01 0.00 0.21 0.00 0.00 66.02 64.78 1jbj s SER 13 CO 0.11 -0.20 0.71 0.61 0.41 0.00 0.00 173.24 174.88 1jbj n GLY 14 N 4.61 -1.08 2.83 3.44 0.00 -1.26 -0.47 105.19 113.26 1jbj n GLY 14 Ca -0.13 0.48 -0.04 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.63 0.00 -4.60 2.61 -1.04 -1.26 -4.88 114.28 101.48 1jbj n THR 15 Ca -0.15 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.57 1jbj n THR 15 Cb 0.60 -1.10 -0.17 0.00 -1.82 0.00 0.00 70.33 67.84 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 -2.17 2.56 0.28 8.00 0.01 0.38 0.16 113.70 122.92 1jbj s SER 16 Ca 0.00 -0.46 -0.12 0.00 1.31 0.00 0.00 55.95 56.68 1jbj s SER 16 Cb 0.00 -1.16 -0.08 0.00 0.21 0.00 0.00 66.02 64.99 1jbj s SER 16 CO 0.00 0.05 0.64 -0.69 0.41 0.00 0.00 173.24 173.64 1jbj s VAL 17 N 0.85 4.82 -0.26 3.43 1.01 0.31 0.24 120.40 130.80 1jbj s VAL 17 Ca -0.09 0.68 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 1jbj s VAL 17 Cb -0.15 -3.62 0.09 0.00 0.00 0.00 0.00 36.38 32.70 1jbj s VAL 17 CO 0.00 -0.14 0.11 -0.70 0.00 0.00 0.00 175.10 174.37 1jbj s GLU 18 N -2.92 0.32 0.22 2.72 2.12 -0.16 0.15 118.70 121.14 1jbj s GLU 18 Ca 0.50 -0.54 -0.08 0.00 0.36 0.00 0.00 54.97 55.21 1jbj s GLU 18 Cb -0.11 -1.54 -0.07 0.00 0.26 0.00 0.00 34.13 32.67 1jbj s GLU 18 CO 0.20 -0.91 0.52 -0.51 -0.54 0.00 0.00 175.26 174.02 1jbj s LEU 19 N 1.99 4.17 -0.24 2.70 1.43 0.36 -1.70 118.68 127.38 1jbj s LEU 19 Ca 0.07 0.85 0.02 0.00 -1.03 0.00 0.00 54.13 54.04 1jbj s LEU 19 Cb -0.16 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 42.49 1jbj s LEU 19 CO -0.27 -0.07 -0.13 -0.89 0.23 0.00 0.00 176.35 175.22 1jbj s THR 20 N -1.83 2.16 0.24 5.49 2.01 0.21 -0.50 115.64 123.42 1jbj s THR 20 Ca 0.46 -1.44 -0.19 0.00 0.31 0.00 0.00 61.69 60.83 1jbj s THR 20 Cb -0.11 -2.17 -0.08 0.00 0.01 0.00 0.00 72.50 70.14 1jbj s THR 20 CO 0.23 0.13 0.74 0.00 -0.69 0.00 0.00 174.62 175.03 1jbj n PRO 22 N 0.56 1.15 -3.70 0.00 -0.04 -1.26 -4.74 135.00 126.97 1jbj n PRO 22 Ca -0.01 -0.34 -0.18 0.00 -0.04 0.00 0.00 63.50 62.92 1jbj n PRO 22 Cb 0.51 -1.13 -0.17 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.38 0.46 0.64 1.53 1.43 -1.26 -4.88 118.68 116.22 1jbj s LEU 23 Ca 0.07 0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 1jbj s LEU 23 Cb 0.05 -0.11 -0.11 0.00 0.03 0.00 0.00 46.19 46.06 1jbj s LEU 23 CO 0.01 -0.21 0.08 -0.90 0.23 0.00 0.00 176.35 175.56 1jbj n ASP 24 N 4.91 -2.84 -4.53 2.29 5.68 -1.26 -4.58 116.55 116.22 1jbj n ASP 24 Ca -0.12 0.59 -0.42 0.00 -0.50 0.00 0.00 54.79 54.34 1jbj n ASP 24 Cb 0.50 -1.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.45 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 -1.16 6.34 0.47 -1.12 1.04 -1.26 -4.76 113.70 113.25 1jbj s SER 25 Ca 0.59 -1.10 0.02 0.00 0.48 0.00 0.00 55.95 55.94 1jbj s SER 25 Cb -0.40 -2.52 0.01 0.00 0.10 0.00 0.00 66.02 63.20 1jbj s SER 25 CO 0.64 -1.56 0.68 -1.81 0.98 0.00 0.00 173.24 172.17 1jbj s ASP 26 N 4.17 5.65 0.00 7.02 1.11 -1.26 -4.87 116.67 128.48 1jbj s ASP 26 Ca 0.37 0.08 0.00 0.00 0.18 0.00 0.00 52.55 53.17 1jbj s ASP 26 Cb -0.06 -1.21 0.00 0.00 1.07 0.00 0.00 42.92 42.72 1jbj s ASP 26 CO 0.02 -0.82 0.85 -0.62 1.18 0.00 0.00 175.17 175.78 1jbj n GLU 27 N -2.10 0.90 -0.34 8.23 4.71 -1.26 -2.45 120.64 128.33 1jbj n GLU 27 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.19 1jbj n GLU 27 Cb 0.58 -1.09 0.00 0.00 -1.01 0.00 0.00 31.44 29.92 1jbj n GLU 27 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1jbj n ASN 28 N 0.49 0.00 -4.72 1.62 3.02 -1.26 -5.04 115.26 109.37 1jbj n ASN 28 Ca 0.00 -0.94 -0.42 0.00 -0.03 0.00 0.00 54.58 53.19 1jbj n ASN 28 Cb 0.43 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.57 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 4.40 0.19 3.41 2.96 -1.03 -4.27 118.68 124.34 1jbj s LEU 29 Ca 0.00 2.10 0.09 0.00 -0.22 0.00 0.00 54.13 56.10 1jbj s LEU 29 Cb 0.00 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 1jbj s LEU 29 CO 0.00 -0.45 -0.08 -0.54 -1.32 0.00 0.00 176.35 173.96 1jbj s LYS 30 N 0.68 2.11 0.30 1.98 1.02 -0.56 -3.54 119.74 121.74 1jbj s LYS 30 Ca 0.57 -1.27 0.03 0.00 0.02 0.00 0.00 55.97 55.32 1jbj s LYS 30 Cb -0.31 -2.17 -0.06 0.00 -0.52 0.00 0.00 37.83 34.77 1jbj s LYS 30 CO 0.31 0.43 0.05 -1.58 -0.92 0.00 0.00 175.35 173.65 1jbj s TRP 31 N -1.77 1.85 -0.11 3.18 0.52 -1.03 -2.51 118.94 119.06 1jbj s TRP 31 Ca 0.26 -0.98 -0.07 0.00 0.02 0.00 0.00 56.10 55.33 1jbj s TRP 31 Cb -0.09 -1.17 0.04 0.00 -1.15 0.00 0.00 33.47 31.10 1jbj s TRP 31 CO 0.16 -0.05 0.26 -2.00 0.02 0.00 0.00 176.95 175.34 1jbj s GLU 32 N -3.91 0.25 -0.32 4.98 2.12 -0.23 -0.03 118.70 121.57 1jbj s GLU 32 Ca 0.36 0.49 -0.01 0.00 0.36 0.00 0.00 54.97 56.17 1jbj s GLU 32 Cb 0.08 -0.03 0.07 0.00 0.26 0.00 0.00 34.13 34.51 1jbj s GLU 32 CO 0.14 -0.12 0.03 0.21 -0.54 0.00 0.00 175.26 174.98 1jbj s LYS 33 N 0.92 2.24 0.00 4.30 2.36 0.63 -2.24 119.74 127.95 1jbj s LYS 33 Ca -0.06 -1.43 0.00 0.00 -2.55 0.00 0.00 55.97 51.93 1jbj s LYS 33 Cb -0.07 -3.22 0.00 0.00 -1.05 0.00 0.00 37.83 33.49 1jbj s LYS 33 CO -0.06 -0.72 0.00 -1.71 1.55 0.00 0.00 175.35 174.41 1jbj n ASN 34 N 4.56 0.00 0.00 1.43 2.85 0.36 -2.12 115.26 122.34 1jbj n ASN 34 Ca -0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 1jbj n ASN 34 Cb 0.43 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.45 1jbj n ASN 34 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1jbj n GLY 35 N 0.00 0.00 3.84 8.20 0.00 -1.26 -4.58 105.19 111.39 1jbj n GLY 35 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.68 4.03 0.08 1.61 -0.21 -0.90 -5.08 119.66 117.53 1jbj s GLN 36 Ca 0.00 0.97 0.06 0.00 0.02 0.00 0.00 55.36 56.41 1jbj s GLN 36 Cb 0.00 -2.17 -0.04 0.00 1.00 0.00 0.00 33.01 31.80 1jbj s GLN 36 CO 0.00 -0.17 -0.08 -2.00 -2.12 0.00 0.00 175.29 170.92 1jbj s GLU 37 N -3.74 2.25 -0.37 2.91 2.12 -1.26 -0.27 118.70 120.34 1jbj s GLU 37 Ca 0.59 -0.95 -0.04 0.00 0.36 0.00 0.00 54.97 54.94 1jbj s GLU 37 Cb -0.10 -2.37 0.08 0.00 0.26 0.00 0.00 34.13 32.01 1jbj s GLU 37 CO 0.25 0.53 0.14 -0.51 -0.54 0.00 0.00 175.26 175.13 1jbj s LEU 38 N -2.08 4.74 -0.37 2.70 1.43 0.96 -4.94 118.68 121.12 1jbj s LEU 38 Ca 0.21 -1.64 -0.00 0.00 -1.03 0.00 0.00 54.13 51.67 1jbj s LEU 38 Cb -0.11 -1.82 0.31 0.00 0.03 0.00 0.00 46.19 44.60 1jbj s LEU 38 CO 0.13 -0.44 1.89 -0.81 0.23 0.00 0.00 176.35 177.35 1jbj n PRO 39 N 4.67 1.94 -1.19 1.29 -0.04 -1.26 -2.46 135.00 137.94 1jbj n PRO 39 Ca -0.08 -1.94 -0.00 0.00 -0.04 0.00 0.00 63.50 61.44 1jbj n PRO 39 Cb 0.42 -1.76 -0.01 0.00 -0.04 0.00 0.00 33.50 32.11 1jbj n PRO 39 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1jbj n GLN 40 N -0.12 0.00 -3.86 0.54 -0.06 -1.26 -5.00 117.38 107.62 1jbj n GLN 40 Ca 0.38 -1.47 -0.28 0.00 -2.00 0.00 0.00 57.00 53.63 1jbj n GLN 40 Cb 0.78 0.13 -0.12 0.00 -4.06 0.00 0.00 30.24 26.97 1jbj n GLN 40 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1jbj s LYS 41 N 0.00 2.31 -0.34 3.69 -0.14 -1.25 -4.94 119.74 119.07 1jbj s LYS 41 Ca 0.18 -3.21 -0.01 0.00 -1.36 0.00 0.00 55.97 51.56 1jbj s LYS 41 Cb 0.20 -3.24 0.21 0.00 -1.68 0.00 0.00 37.83 33.32 1jbj s LYS 41 CO -0.09 -1.29 2.09 -2.39 -0.76 0.00 0.00 175.35 172.92 1jbj n HIS 42 N 2.09 1.61 -4.50 3.18 1.44 -1.23 -4.07 115.22 113.74 1jbj n HIS 42 Ca 0.20 -2.01 -0.29 0.00 -2.01 0.00 0.00 57.72 53.61 1jbj n HIS 42 Cb 0.36 -1.02 -0.13 0.00 0.12 0.00 0.00 29.99 29.32 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 0.12 3.31 0.16 4.39 2.15 -1.26 -4.25 116.67 121.29 1jbj s ASP 43 Ca 0.35 -0.70 -0.05 0.00 0.43 0.00 0.00 52.55 52.58 1jbj s ASP 43 Cb 0.27 -0.25 0.00 0.00 -0.30 0.00 0.00 42.92 42.64 1jbj s ASP 43 CO -0.02 0.20 1.40 0.50 -0.17 0.00 0.00 175.17 177.08 1jbj h LYS 44 N 4.08 0.52 -4.82 4.34 3.64 -1.86 -3.42 116.57 119.06 1jbj h LYS 44 Ca -0.50 -0.42 -0.68 0.00 -1.27 0.00 0.00 60.65 57.78 1jbj h LYS 44 Cb 1.16 0.09 -0.29 0.00 -0.41 0.00 0.00 32.23 32.78 1jbj h LYS 44 CO 0.40 1.05 -0.67 -3.38 -2.27 0.00 0.00 179.45 174.59 1jbj s HIS 45 N -3.68 3.15 0.00 1.91 -3.43 -1.26 -0.73 115.29 111.26 1jbj s HIS 45 Ca -0.07 -1.30 -0.26 0.00 -0.80 0.00 0.00 55.06 52.63 1jbj s HIS 45 Cb 0.10 -2.18 -0.04 0.00 -1.43 0.00 0.00 32.58 29.02 1jbj s HIS 45 CO 0.86 -0.66 0.80 -1.17 -2.00 0.00 0.00 174.74 172.56 1jbj s LEU 46 N 1.41 4.39 -0.04 5.38 2.96 0.35 -4.82 118.68 128.31 1jbj s LEU 46 Ca 0.01 1.43 0.01 0.00 -0.22 0.00 0.00 54.13 55.35 1jbj s LEU 46 Cb -0.18 -3.27 -0.03 0.00 0.50 0.00 0.00 46.19 43.21 1jbj s LEU 46 CO 0.00 -0.09 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.22 1jbj s VAL 47 N 0.46 4.02 -0.43 1.68 1.01 -1.26 0.13 120.40 126.01 1jbj s VAL 47 Ca 0.42 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1jbj s VAL 47 Cb -0.20 -2.72 0.12 0.00 0.00 0.00 0.00 36.38 33.58 1jbj s VAL 47 CO 0.23 0.50 0.18 -0.76 0.00 0.00 0.00 175.10 175.24 1jbj s LEU 48 N -1.17 3.90 -0.15 3.92 1.43 0.39 -4.93 118.68 122.07 1jbj s LEU 48 Ca 0.16 -2.54 -0.29 0.00 -1.03 0.00 0.00 54.13 50.43 1jbj s LEU 48 Cb -0.11 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 1jbj s LEU 48 CO 0.05 -0.30 1.01 -1.10 0.23 0.00 0.00 176.35 176.24 1jbj s GLN 49 N 0.40 4.37 -0.35 1.70 -0.21 -1.26 0.11 119.66 124.42 1jbj s GLN 49 Ca 0.15 1.37 -0.01 0.00 0.02 0.00 0.00 55.36 56.88 1jbj s GLN 49 Cb -0.23 -3.57 -0.01 0.00 1.00 0.00 0.00 33.01 30.20 1jbj s GLN 49 CO -0.05 -0.41 0.32 -3.47 -2.12 0.00 0.00 175.29 169.56 1jbj n ASP 50 N 5.42 -4.40 -4.72 5.90 -0.08 0.12 -4.96 116.55 113.83 1jbj n ASP 50 Ca 0.10 -0.09 -0.42 0.00 -1.51 0.00 0.00 54.79 52.87 1jbj n ASP 50 Cb 0.48 -2.79 -0.03 0.00 2.34 0.00 0.00 41.12 41.11 1jbj n ASP 50 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1jbj s PHE 51 N -3.04 3.54 -0.39 -0.67 5.36 -1.24 -5.02 117.98 116.53 1jbj s PHE 51 Ca 0.04 1.49 0.01 0.00 -0.96 0.00 0.00 56.93 57.51 1jbj s PHE 51 Cb -0.01 -3.31 0.13 0.00 -0.34 0.00 0.00 43.02 39.49 1jbj s PHE 51 CO 0.32 -0.80 0.20 -1.12 -1.46 0.00 0.00 175.22 172.37 1jbj s SER 52 N 0.53 3.54 0.29 6.13 0.01 -1.26 -3.21 113.70 119.73 1jbj s SER 52 Ca 0.54 -2.30 -0.03 0.00 1.31 0.00 0.00 55.95 55.47 1jbj s SER 52 Cb -0.28 -0.82 0.42 0.00 0.21 0.00 0.00 66.02 65.55 1jbj s SER 52 CO 0.31 -0.31 1.96 -0.08 0.41 0.00 0.00 173.24 175.53 1jbj h GLU 53 N 7.09 1.11 -1.06 12.44 4.22 -1.94 -1.96 114.58 134.48 1jbj h GLU 53 Ca -0.02 -0.07 0.28 0.00 0.08 0.00 0.00 59.36 59.63 1jbj h GLU 53 Cb 0.96 -0.25 -0.08 0.00 0.50 0.00 0.00 28.75 29.88 1jbj h GLU 53 CO 0.42 0.74 0.71 0.28 -2.18 0.00 0.00 179.01 178.98 1jbj h VAL 54 N 1.14 0.50 -0.08 0.32 2.07 -1.93 -0.74 116.25 117.53 1jbj h VAL 54 Ca 0.30 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.77 1jbj h VAL 54 Cb -0.11 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 29.83 1jbj h VAL 54 CO -0.06 0.05 -0.16 -0.33 0.02 0.00 0.00 177.57 177.08 1jbj h GLU 55 N 0.27 -0.22 0.00 1.57 4.39 -1.78 -3.46 114.58 115.34 1jbj h GLU 55 Ca 0.57 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.28 1jbj h GLU 55 Cb 1.70 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.40 1jbj h GLU 55 CO -0.20 -0.15 0.00 -0.40 -1.16 0.00 0.00 179.01 177.10 1jbj n ASP 56 N -5.30 0.00 -0.87 1.42 5.68 -0.28 -5.16 116.55 112.03 1jbj n ASP 56 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.25 1jbj n ASP 56 Cb 0.22 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 1jbj n ASP 56 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1jbj n SER 57 N 0.00 -5.43 0.00 -1.12 3.41 -1.25 -5.01 113.62 104.21 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 -0.19 3.92 5.00 0.00 -1.17 -4.86 105.19 107.89 1jbj n GLY 58 Ca 0.00 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.76 1.96 0.15 1.61 1.51 -1.26 -0.40 117.35 118.17 1jbj s TYR 59 Ca 0.00 -0.70 -0.08 0.00 -1.01 0.00 0.00 57.07 55.29 1jbj s TYR 59 Cb 0.00 -2.06 -0.01 0.00 -0.11 0.00 0.00 41.96 39.77 1jbj s TYR 59 CO 0.00 -0.49 0.24 0.71 -1.11 0.00 0.00 175.55 174.90 1jbj s TYR 60 N -2.65 0.45 -0.00 2.71 1.51 -0.05 0.14 117.35 119.46 1jbj s TYR 60 Ca 0.44 -0.83 -0.10 0.00 -1.01 0.00 0.00 57.07 55.58 1jbj s TYR 60 Cb -0.03 -0.13 0.01 0.00 -0.11 0.00 0.00 41.96 41.70 1jbj s TYR 60 CO 0.27 -0.67 0.20 0.54 -1.11 0.00 0.00 175.55 174.78 1jbj s VAL 61 N -3.97 0.07 -0.06 0.71 0.11 -0.95 -2.46 120.40 113.85 1jbj s VAL 61 Ca 0.17 -0.61 -0.02 0.00 -2.93 0.00 0.00 61.98 58.59 1jbj s VAL 61 Cb 0.04 -0.50 0.04 0.00 -1.53 0.00 0.00 36.38 34.43 1jbj s VAL 61 CO -0.01 -0.33 0.12 0.00 -3.33 0.00 0.00 175.10 171.55 1jbj s TYR 63 N 1.51 -0.19 0.11 0.00 1.13 -1.05 -4.32 117.35 114.55 1jbj s TYR 63 Ca -0.05 -0.15 0.07 0.00 -1.41 0.00 0.00 57.07 55.52 1jbj s TYR 63 Cb -0.12 0.46 -0.03 0.00 -1.10 0.00 0.00 41.96 41.16 1jbj s TYR 63 CO -0.05 -0.95 -0.16 0.95 -2.51 0.00 0.00 175.55 172.83 1jbj s THR 64 N -3.86 1.42 0.15 -3.49 -4.23 -0.77 -1.49 115.64 103.37 1jbj s THR 64 Ca 0.08 -1.57 -0.25 0.00 -1.18 0.00 0.00 61.69 58.77 1jbj s THR 64 Cb -0.02 -1.43 0.01 0.00 1.34 0.00 0.00 72.50 72.40 1jbj s THR 64 CO -0.03 -0.25 1.60 -0.65 -0.54 0.00 0.00 174.62 174.75 1jbj h PRO 65 N 3.87 -0.33 0.00 3.99 0.11 -2.00 -0.43 132.00 137.21 1jbj h PRO 65 Ca -0.42 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.67 1jbj h PRO 65 Cb 1.19 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1jbj h PRO 65 CO 0.44 -0.22 -0.20 0.00 -0.21 0.00 0.00 178.00 177.82 1jbj h ALA 66 N 0.52 1.05 -3.23 -0.75 0.00 -1.97 -3.37 119.26 111.50 1jbj h ALA 66 Ca 0.13 -0.18 -0.68 0.00 0.00 0.00 0.00 54.91 54.18 1jbj h ALA 66 Cb 0.56 -0.03 -0.37 0.00 0.00 0.00 0.00 17.79 17.95 1jbj h ALA 66 CO -0.46 0.24 -0.46 0.45 0.00 0.00 0.00 179.25 179.03 1jbj s SER 67 N -6.14 5.03 -1.47 0.00 0.15 -0.17 -4.99 113.70 106.10 1jbj s SER 67 Ca 0.00 -2.74 -0.10 0.00 0.70 0.00 0.00 55.95 53.81 1jbj s SER 67 Cb 0.10 -1.80 -0.07 0.00 -1.71 0.00 0.00 66.02 62.55 1jbj s SER 67 CO 0.62 -0.37 2.69 -3.20 1.20 0.00 0.00 173.24 174.19 1jbj n ASN 68 N 3.60 7.24 -4.26 5.45 5.15 -1.20 -1.85 115.26 129.39 1jbj n ASN 68 Ca 0.06 -2.58 -0.35 0.00 -0.60 0.00 0.00 54.58 51.11 1jbj n ASN 68 Cb 0.37 -1.49 -0.14 0.00 -0.53 0.00 0.00 39.78 37.99 1jbj n ASN 68 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1jbj s LYS 69 N 2.61 3.12 -0.15 1.20 2.47 -1.26 -5.05 119.74 122.68 1jbj s LYS 69 Ca 0.61 -0.80 -0.04 0.00 -1.56 0.00 0.00 55.97 54.19 1jbj s LYS 69 Cb 0.16 -3.01 -0.03 0.00 -1.46 0.00 0.00 37.83 33.49 1jbj s LYS 69 CO -0.06 -0.30 -0.02 -0.80 0.16 0.00 0.00 175.35 174.34 1jbj s ASN 70 N 1.41 4.97 -0.15 1.43 0.01 -1.26 -4.17 114.94 117.18 1jbj s ASN 70 Ca 0.03 -0.06 -0.00 0.00 -0.71 0.00 0.00 52.86 52.12 1jbj s ASN 70 Cb -0.15 -1.74 0.04 0.00 0.41 0.00 0.00 41.25 39.80 1jbj s ASN 70 CO -0.04 0.21 -0.07 0.28 -1.51 0.00 0.00 177.10 175.97 1jbj s THR 71 N 0.15 1.17 -0.45 1.60 -1.32 -1.26 -5.04 115.64 110.49 1jbj s THR 71 Ca -0.00 -0.57 -0.23 0.00 -1.21 0.00 0.00 61.69 59.68 1jbj s THR 71 Cb -0.13 -1.28 0.03 0.00 -1.51 0.00 0.00 72.50 69.61 1jbj s THR 71 CO 0.02 0.22 0.78 -0.31 -2.21 0.00 0.00 174.62 173.12 1jbj s TYR 72 N 1.62 2.99 0.15 9.09 2.02 -1.26 -4.23 117.35 127.73 1jbj s TYR 72 Ca 0.02 0.13 0.09 0.00 -0.37 0.00 0.00 57.07 56.94 1jbj s TYR 72 Cb -0.14 -3.65 -0.04 0.00 -0.40 0.00 0.00 41.96 37.72 1jbj s TYR 72 CO -0.08 -0.99 -0.13 -0.48 -1.57 0.00 0.00 175.55 172.30 1jbj s LEU 73 N 3.27 2.88 -0.26 -1.29 0.05 -1.03 -4.53 118.68 117.77 1jbj s LEU 73 Ca 0.29 -0.55 -0.06 0.00 0.05 0.00 0.00 54.13 53.86 1jbj s LEU 73 Cb -0.12 -1.63 -0.01 0.00 -2.05 0.00 0.00 46.19 42.38 1jbj s LEU 73 CO 0.22 0.14 0.03 -0.47 -0.55 0.00 0.00 176.35 175.72 1jbj s TYR 74 N -1.46 3.07 -0.19 3.48 6.14 0.23 -0.87 117.35 127.75 1jbj s TYR 74 Ca 0.22 -0.85 -0.03 0.00 0.64 0.00 0.00 57.07 57.06 1jbj s TYR 74 Cb -0.10 -2.20 -0.01 0.00 0.42 0.00 0.00 41.96 40.08 1jbj s TYR 74 CO 0.13 -0.52 -0.08 -1.17 0.64 0.00 0.00 175.55 174.56 1jbj s LEU 75 N 1.52 2.80 -0.26 6.97 0.20 0.47 -2.20 118.68 128.18 1jbj s LEU 75 Ca 0.04 -0.38 -0.01 0.00 0.69 0.00 0.00 54.13 54.47 1jbj s LEU 75 Cb -0.16 -1.69 0.14 0.00 -0.43 0.00 0.00 46.19 44.06 1jbj s LEU 75 CO 0.01 0.04 0.39 -0.75 -0.29 0.00 0.00 176.35 175.75 1jbj s LYS 76 N 1.12 0.37 0.25 1.98 2.20 -0.87 -3.06 119.74 121.73 1jbj s LYS 76 Ca 0.01 0.42 -0.18 0.00 -0.36 0.00 0.00 55.97 55.87 1jbj s LYS 76 Cb -0.14 -0.40 0.02 0.00 -1.51 0.00 0.00 37.83 35.79 1jbj s LYS 76 CO -0.02 -0.76 0.61 0.00 -0.36 0.00 0.00 175.35 174.82 1jbj s ALA 77 N 2.55 -0.90 0.10 3.13 0.00 -1.26 -3.63 121.76 121.75 1jbj s ALA 77 Ca 0.12 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.70 1jbj s ALA 77 Cb -0.15 0.92 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 1jbj s ALA 77 CO -0.20 -0.93 -0.11 0.50 0.00 0.00 0.00 175.76 175.02 1jbj s ARG 78 N -3.93 0.89 0.26 0.00 3.52 -1.26 -3.11 118.95 115.32 1jbj s ARG 78 Ca 0.14 -1.19 -0.10 0.00 -0.13 0.00 0.00 55.73 54.45 1jbj s ARG 78 Cb -0.03 -0.60 -0.00 0.00 -1.56 0.00 0.00 34.95 32.75 1jbj s ARG 78 CO 0.05 0.10 0.45 0.14 -0.81 0.00 0.00 175.30 175.23 1jbj s VAL 79 N -2.44 0.00 0.00 7.11 -7.23 -1.20 -5.01 120.40 111.64 1jbj s VAL 79 Ca 0.07 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 1jbj s VAL 79 Cb -0.03 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.57 1jbj s VAL 79 CO 0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 1jbj n GLY 80 N -0.41 -2.79 2.54 2.32 0.00 -1.26 -4.81 105.19 100.79 1jbj n GLY 80 Ca -0.01 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.66 4.29 -3.07 1.61 7.64 -1.26 -4.68 113.62 117.48 1jbj n SER 81 Ca 0.00 -3.60 -0.19 0.00 1.01 0.00 0.00 58.87 56.09 1jbj n SER 81 Cb 0.00 -0.48 -0.04 0.00 -1.01 0.00 0.00 64.21 62.68 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 -0.40 -0.81 -2.34 -0.43 0.00 -1.26 -4.56 120.51 110.71 1jbj n ALA 82 Ca 0.35 -0.13 -0.04 0.00 0.00 0.00 0.00 53.44 53.62 1jbj n ALA 82 Cb 0.65 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.89 -0.85 -1.38 0.00 -0.08 -1.26 -5.12 116.55 106.97 1jbj n ASP 83 Ca 0.00 -2.08 -0.02 0.00 -1.51 0.00 0.00 54.79 51.18 1jbj n ASP 83 Cb 0.25 0.35 -0.00 0.00 2.34 0.00 0.00 41.12 44.05 1jbj n ASP 83 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1jbj n ASP 84 N -0.58 -0.36 -4.23 1.67 5.75 -1.26 -5.17 116.55 112.38 1jbj n ASP 84 Ca -0.19 -1.35 -0.29 0.00 -0.01 0.00 0.00 54.79 52.94 1jbj n ASP 84 Cb 0.81 0.63 0.23 0.00 -1.03 0.00 0.00 41.12 41.76 1jbj n ASP 84 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jbj n ALA 85 N -2.53 -3.62 -0.07 2.12 0.00 -1.26 -5.00 120.51 110.14 1jbj n ALA 85 Ca -0.03 -1.33 -0.16 0.00 0.00 0.00 0.00 53.44 51.92 1jbj n ALA 85 Cb 0.12 -1.70 -0.05 0.00 0.00 0.00 0.00 19.45 17.82 1jbj n ALA 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jbj n LYS 86 N -3.78 0.32 -2.78 0.00 4.01 -1.26 -4.85 118.16 109.82 1jbj n LYS 86 Ca 0.03 0.14 -0.02 0.00 -0.51 0.00 0.00 58.31 57.94 1jbj n LYS 86 Cb 0.57 -1.04 -0.02 0.00 -0.51 0.00 0.00 35.03 34.04 1jbj n LYS 86 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1jbj n LYS 87 N -3.70 -3.29 -3.73 1.97 4.81 -1.26 -4.52 118.16 108.44 1jbj n LYS 87 Ca -0.28 2.64 -0.14 0.00 -0.87 0.00 0.00 58.31 59.65 1jbj n LYS 87 Cb 0.68 -4.18 -0.15 0.00 0.02 0.00 0.00 35.03 31.40 1jbj n LYS 87 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1jbj s ASP 88 N -0.98 0.12 0.00 3.14 2.15 -1.26 -4.78 116.67 115.06 1jbj s ASP 88 Ca -0.12 0.30 0.00 0.00 0.43 0.00 0.00 52.55 53.16 1jbj s ASP 88 Cb 0.01 0.20 0.00 0.00 -0.30 0.00 0.00 42.92 42.82 1jbj s ASP 88 CO 0.60 -0.17 0.00 0.00 -0.17 0.00 0.00 175.17 175.43 1jbj n ALA 89 N 4.50 1.05 -1.76 3.66 0.00 -1.26 -5.12 120.51 121.58 1jbj n ALA 89 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.88 1jbj n ALA 89 Cb 0.51 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.33 2.63 0.26 0.00 0.00 -1.26 -5.05 121.76 117.01 1jbj s ALA 90 Ca 0.00 0.90 0.03 0.00 0.00 0.00 0.00 51.96 52.88 1jbj s ALA 90 Cb 0.00 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 1jbj s ALA 90 CO 0.00 -0.94 0.10 0.36 0.00 0.00 0.00 175.76 175.28 1jbj n LYS 91 N -1.45 0.66 -1.73 0.00 2.85 -1.26 -5.11 118.16 112.13 1jbj n LYS 91 Ca 0.12 -2.25 -0.40 0.00 -1.05 0.00 0.00 58.31 54.73 1jbj n LYS 91 Cb 0.50 1.28 0.01 0.00 -0.65 0.00 0.00 35.03 36.18 1jbj n LYS 91 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1jbj n LYS 92 N -0.58 2.13 -3.56 -1.58 5.02 -1.26 -5.02 118.16 113.31 1jbj n LYS 92 Ca -0.03 0.76 -0.22 0.00 -2.02 0.00 0.00 58.31 56.79 1jbj n LYS 92 Cb 0.40 -2.52 -0.00 0.00 -0.02 0.00 0.00 35.03 32.89 1jbj n LYS 92 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jbj s ASP 93 N -0.48 4.94 -0.29 4.39 1.01 -1.26 -5.11 116.67 119.88 1jbj s ASP 93 Ca 0.61 -0.92 -0.07 0.00 0.71 0.00 0.00 52.55 52.87 1jbj s ASP 93 Cb -0.48 -0.09 0.00 0.00 1.01 0.00 0.00 42.92 43.37 1jbj s ASP 93 CO 0.58 -0.93 0.08 -1.81 0.21 0.00 0.00 175.17 173.30 1jbj s ASP 94 N -4.28 5.13 -0.40 0.27 1.11 -1.26 -4.93 116.67 112.31 1jbj s ASP 94 Ca 0.46 -0.59 0.07 0.00 0.18 0.00 0.00 52.55 52.66 1jbj s ASP 94 Cb -0.04 -1.89 0.31 0.00 1.07 0.00 0.00 42.92 42.37 1jbj s ASP 94 CO 0.28 -0.16 1.25 0.00 1.18 0.00 0.00 175.17 177.72 1jbj n ALA 95 N 4.89 -0.33 -1.62 5.23 0.00 -1.26 -5.15 120.51 122.27 1jbj n ALA 95 Ca -0.15 -1.13 -0.31 0.00 0.00 0.00 0.00 53.44 51.85 1jbj n ALA 95 Cb 0.49 -1.26 0.03 0.00 0.00 0.00 0.00 19.45 18.72 1jbj n ALA 95 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1jbj s LYS 96 N 0.18 3.11 0.04 0.00 1.02 -1.26 -5.07 119.74 117.76 1jbj s LYS 96 Ca 0.19 1.00 -0.07 0.00 0.02 0.00 0.00 55.97 57.12 1jbj s LYS 96 Cb 0.31 -2.01 -0.01 0.00 -0.52 0.00 0.00 37.83 35.60 1jbj s LYS 96 CO -0.08 -0.97 0.13 0.15 -0.92 0.00 0.00 175.35 173.67 1jbj s LYS 97 N -4.78 0.64 -0.66 1.68 1.02 -1.26 -5.10 119.74 111.28 1jbj s LYS 97 Ca 0.59 -0.74 0.05 0.00 0.02 0.00 0.00 55.97 55.90 1jbj s LYS 97 Cb -0.14 0.26 0.21 0.00 -0.52 0.00 0.00 37.83 37.63 1jbj s LYS 97 CO 0.50 -0.17 0.61 -0.25 -0.92 0.00 0.00 175.35 175.11 1jbj n ASP 98 N 0.67 3.21 -4.86 2.83 8.00 -1.26 -4.94 116.55 120.21 1jbj n ASP 98 Ca -0.19 -3.29 -0.23 0.00 0.71 0.00 0.00 54.79 51.80 1jbj n ASP 98 Cb 0.59 -0.71 -0.04 0.00 -0.02 0.00 0.00 41.12 40.94 1jbj n ASP 98 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1jbj s ASP 99 N -1.88 5.77 -0.45 -2.24 1.01 -1.26 -5.04 116.67 112.58 1jbj s ASP 99 Ca 0.32 -0.12 0.03 0.00 0.71 0.00 0.00 52.55 53.49 1jbj s ASP 99 Cb 0.05 -1.56 0.46 0.00 1.01 0.00 0.00 42.92 42.88 1jbj s ASP 99 CO -0.10 -0.02 1.55 0.00 0.21 0.00 0.00 175.17 176.82 1jbj n ALA 100 N -1.02 5.56 -0.02 5.23 0.00 -1.26 -4.51 120.51 124.49 1jbj n ALA 100 Ca -0.08 -3.64 0.03 0.00 0.00 0.00 0.00 53.44 49.75 1jbj n ALA 100 Cb 0.57 -0.94 -0.10 0.00 0.00 0.00 0.00 19.45 18.97 1jbj n ALA 100 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jbj n LYS 101 N -0.81 0.85 -0.01 0.00 5.02 -1.26 -4.40 118.16 117.55 1jbj n LYS 101 Ca 0.52 -0.09 0.12 0.00 -2.02 0.00 0.00 58.31 56.84 1jbj n LYS 101 Cb 0.84 -1.33 0.67 0.00 -0.02 0.00 0.00 35.03 35.20 1jbj n LYS 101 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1jbj n LYS 102 N -2.12 1.17 -1.10 1.97 5.02 -1.26 -3.68 118.16 118.15 1jbj n LYS 102 Ca -0.08 -0.25 -0.22 0.00 -2.02 0.00 0.00 58.31 55.75 1jbj n LYS 102 Cb 0.52 -1.40 0.15 0.00 -0.02 0.00 0.00 35.03 34.28 1jbj n LYS 102 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1jbj n ASP 103 N -0.62 3.98 -3.61 4.39 -0.08 -1.26 -4.87 116.55 114.47 1jbj n ASP 103 Ca 0.18 -3.44 -0.24 0.00 -1.51 0.00 0.00 54.79 49.78 1jbj n ASP 103 Cb 0.15 -0.82 0.08 0.00 2.34 0.00 0.00 41.12 42.86 1jbj n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jbj n GLY 104 N -0.94 -0.55 3.76 0.27 0.00 -1.24 -4.94 105.19 101.56 1jbj n GLY 104 Ca 0.53 0.25 -0.41 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.31 6.96 -0.13 1.61 0.01 -1.25 -4.94 113.70 112.64 1jbj s SER 105 Ca 0.59 2.51 -0.29 0.00 1.31 0.00 0.00 55.95 60.06 1jbj s SER 105 Cb -0.26 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.29 1jbj s SER 105 CO 0.73 -0.40 1.67 -1.10 0.41 0.00 0.00 173.24 174.56 1jbj s GLN 106 N -1.46 3.95 -0.46 12.44 -1.52 -1.26 -4.86 119.66 126.49 1jbj s GLN 106 Ca 0.48 1.96 0.06 0.00 -1.95 0.00 0.00 55.36 55.91 1jbj s GLN 106 Cb -0.37 -4.03 0.32 0.00 -0.22 0.00 0.00 33.01 28.71 1jbj s GLN 106 CO 0.47 -1.11 1.12 -2.37 -0.25 0.00 0.00 175.29 173.15 1jbj n THR 107 N 6.01 0.00 -4.03 -0.19 5.66 -1.26 -5.15 114.28 115.32 1jbj n THR 107 Ca 0.19 -1.49 0.00 0.00 -3.05 0.00 0.00 64.05 59.70 1jbj n THR 107 Cb 0.44 1.49 0.00 0.00 -1.55 0.00 0.00 70.33 70.71 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 0.38 -4.45 -1.35 1.09 3.02 -1.26 -4.71 115.26 107.97 1jbj n ASN 108 Ca 0.06 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.58 1jbj n ASN 108 Cb 0.70 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.86 1jbj n ASN 108 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1jbj n LYS 109 N -1.36 0.08 -3.99 3.52 4.01 -1.13 -4.90 118.16 114.39 1jbj n LYS 109 Ca 0.00 -0.52 -0.34 0.00 -0.51 0.00 0.00 58.31 56.94 1jbj n LYS 109 Cb 0.00 0.45 -0.15 0.00 -0.51 0.00 0.00 35.03 34.82 1jbj n LYS 109 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1jbj s ALA 110 N -2.08 2.64 0.09 7.82 0.00 -1.26 -3.91 121.76 125.06 1jbj s ALA 110 Ca 0.06 -1.50 -0.08 0.00 0.00 0.00 0.00 51.96 50.44 1jbj s ALA 110 Cb 0.00 -1.63 -0.06 0.00 0.00 0.00 0.00 23.12 21.44 1jbj s ALA 110 CO 0.04 -0.85 0.38 0.21 0.00 0.00 0.00 175.76 175.54 1jbj s LYS 111 N 1.28 3.70 0.00 0.00 2.20 -1.26 -4.09 119.74 121.57 1jbj s LYS 111 Ca -0.01 0.08 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 1jbj s LYS 111 Cb -0.17 -2.97 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 1jbj s LYS 111 CO -0.05 0.55 0.00 -1.71 -0.36 0.00 0.00 175.35 173.77 1jbj n ASN 112 N 0.73 -1.76 -1.90 1.43 2.85 -1.26 -4.66 115.26 110.70 1jbj n ASN 112 Ca -0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 1jbj n ASN 112 Cb 0.52 -0.98 0.00 0.00 1.24 0.00 0.00 39.78 40.56 1jbj n ASN 112 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1jbj n LEU 113 N 0.00 -6.27 -4.77 1.20 4.32 -1.26 -4.90 117.00 105.32 1jbj n LEU 113 Ca 0.00 3.22 -0.37 0.00 -0.02 0.00 0.00 56.01 58.84 1jbj n LEU 113 Cb 0.06 -3.09 -0.02 0.00 -1.62 0.00 0.00 43.42 38.75 1jbj n LEU 113 CO 0.00 -0.98 0.81 0.54 -1.22 0.00 0.00 177.39 176.54 1jbj s VAL 114 N -1.52 3.29 0.05 4.08 0.11 -1.26 -5.02 120.40 120.13 1jbj s VAL 114 Ca 0.00 1.01 -0.01 0.00 -2.93 0.00 0.00 61.98 60.05 1jbj s VAL 114 Cb 0.00 -3.53 -0.04 0.00 -1.53 0.00 0.00 36.38 31.28 1jbj s VAL 114 CO 0.00 0.03 -0.03 -1.10 -3.33 0.00 0.00 175.10 170.66 1jbj s GLN 115 N -2.51 0.61 0.06 1.54 -0.21 -0.98 -5.04 119.66 113.12 1jbj s GLN 115 Ca 0.60 -1.19 0.03 0.00 0.02 0.00 0.00 55.36 54.81 1jbj s GLN 115 Cb -0.27 0.18 -0.03 0.00 1.00 0.00 0.00 33.01 33.88 1jbj s GLN 115 CO 0.34 -0.10 -0.08 0.14 -2.12 0.00 0.00 175.29 173.46 1jbj s VAL 116 N -3.77 0.68 0.10 1.09 -7.23 -1.26 0.13 120.40 110.14 1jbj s VAL 116 Ca 0.06 -1.36 0.03 0.00 -1.81 0.00 0.00 61.98 58.90 1jbj s VAL 116 Cb 0.07 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.99 1jbj s VAL 116 CO -0.09 -0.50 0.11 -0.62 -0.31 0.00 0.00 175.10 173.69 1jbj s ASP 117 N -2.03 5.60 0.00 4.85 -1.08 0.37 -4.90 116.67 119.49 1jbj s ASP 117 Ca -0.03 -0.02 0.00 0.00 -0.52 0.00 0.00 52.55 51.99 1jbj s ASP 117 Cb -0.06 -1.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.89 1jbj s ASP 117 CO -0.01 0.14 0.41 0.61 0.52 0.00 0.00 175.17 176.85 1jbj n GLY 118 N 0.22 -0.91 3.08 2.66 0.00 -1.25 -1.91 105.19 107.07 1jbj n GLY 118 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1jbj n GLY 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jbj s SER 119 N -0.13 -1.40 -0.13 1.61 1.04 -1.23 -4.65 113.70 108.80 1jbj s SER 119 Ca 0.00 -0.90 0.16 0.00 0.48 0.00 0.00 55.95 55.69 1jbj s SER 119 Cb 0.00 1.79 0.59 0.00 0.10 0.00 0.00 66.02 68.51 1jbj s SER 119 CO 0.00 -0.13 1.51 0.54 0.98 0.00 0.00 173.24 176.13 1jbj n ARG 120 N 4.04 3.48 0.00 4.02 1.74 -1.26 -4.94 116.66 123.75 1jbj n ARG 120 Ca 0.12 -2.76 0.00 0.00 -0.77 0.00 0.00 57.85 54.43 1jbj n ARG 120 Cb 0.58 -1.82 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 0.35 3.10 0.06 -0.13 0.00 -1.26 -4.75 105.19 102.56 1jbj n GLY 121 Ca 0.22 -0.96 0.03 0.00 0.00 0.00 0.00 46.02 45.30 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 0.70 0.28 0.00 1.61 9.92 -1.26 -5.00 116.55 122.80 1jbj n ASP 122 Ca 0.00 0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 1jbj n ASP 122 Cb 0.00 1.14 0.00 0.00 -0.64 0.00 0.00 41.12 41.62 1jbj n ASP 122 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jbj n GLY 123 N 1.42 1.54 3.92 0.44 0.00 -1.26 -5.07 105.19 106.18 1jbj n GLY 123 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 6.40 -0.24 1.61 0.01 -1.26 -2.88 113.70 115.34 1jbj s SER 124 Ca 0.00 0.39 -0.09 0.00 1.31 0.00 0.00 55.95 57.56 1jbj s SER 124 Cb 0.00 -2.01 -0.04 0.00 0.21 0.00 0.00 66.02 64.18 1jbj s SER 124 CO 0.00 0.05 0.11 -0.69 0.41 0.00 0.00 173.24 173.12 1jbj s VAL 125 N -1.70 4.80 -0.31 3.43 1.01 0.19 -3.56 120.40 124.26 1jbj s VAL 125 Ca 0.38 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.38 1jbj s VAL 125 Cb -0.12 -3.24 0.09 0.00 0.00 0.00 0.00 36.38 33.11 1jbj s VAL 125 CO 0.27 0.35 0.02 -0.76 0.00 0.00 0.00 175.10 174.98 1jbj s LEU 126 N 1.29 4.06 -0.30 3.92 1.02 -0.80 -1.31 118.68 126.56 1jbj s LEU 126 Ca 0.06 -1.89 -0.29 0.00 0.02 0.00 0.00 54.13 52.03 1jbj s LEU 126 Cb -0.15 -1.49 0.01 0.00 0.02 0.00 0.00 46.19 44.59 1jbj s LEU 126 CO 0.05 -0.34 1.11 -0.22 0.02 0.00 0.00 176.35 176.97 1jbj s LEU 127 N 1.06 3.96 -0.16 1.79 0.20 0.09 0.14 118.68 125.75 1jbj s LEU 127 Ca 0.06 1.14 -0.11 0.00 0.69 0.00 0.00 54.13 55.92 1jbj s LEU 127 Cb -0.19 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 41.98 1jbj s LEU 127 CO -0.09 -0.87 0.19 0.42 -0.29 0.00 0.00 176.35 175.70 1jbj s THR 128 N 3.68 5.39 0.00 3.68 -4.23 0.35 0.16 115.64 124.66 1jbj s THR 128 Ca 0.47 0.32 0.00 0.00 -1.18 0.00 0.00 61.69 61.30 1jbj s THR 128 Cb -0.14 -3.51 0.00 0.00 1.34 0.00 0.00 72.50 70.20 1jbj s THR 128 CO 0.15 0.48 0.82 0.00 -0.54 0.00 0.00 174.62 175.53 1jbj n GLY 130 N 0.00 -0.81 3.62 0.00 0.00 -1.23 -4.80 105.19 101.98 1jbj n GLY 130 Ca -0.22 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 1jbj n GLY 130 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1jbj n LEU 131 N -0.61 -0.60 -2.75 0.99 -0.00 -1.26 0.22 117.00 113.00 1jbj n LEU 131 Ca 0.04 -0.82 -0.13 0.00 -0.00 0.00 0.00 56.01 55.10 1jbj n LEU 131 Cb 0.02 -1.03 -0.01 0.00 -0.00 0.00 0.00 43.42 42.41 1jbj n LEU 131 CO 0.03 0.25 -0.09 0.35 -0.00 0.00 0.00 177.39 177.93 1jbj n THR 132 N -3.19 -0.58 -3.98 1.47 -2.24 -1.26 -4.92 114.28 99.57 1jbj n THR 132 Ca -0.14 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.32 1jbj n THR 132 Cb 0.41 -1.42 -0.05 0.00 -2.10 0.00 0.00 70.33 67.17 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 -2.24 6.04 0.00 3.42 1.11 0.61 -4.98 116.67 120.63 1jbj s ASP 133 Ca 0.13 0.21 0.26 0.00 0.18 0.00 0.00 52.55 53.32 1jbj s ASP 133 Cb -0.07 -1.80 1.10 0.00 1.07 0.00 0.00 42.92 43.22 1jbj s ASP 133 CO 0.15 0.23 1.82 2.29 1.18 0.00 0.00 175.17 180.84 1jbj n LYS 134 N 0.76 0.02 -4.14 8.23 2.85 -1.26 -4.64 118.16 119.97 1jbj n LYS 134 Ca -0.10 0.06 -0.21 0.00 -1.05 0.00 0.00 58.31 57.01 1jbj n LYS 134 Cb 0.52 -1.50 -0.17 0.00 -0.65 0.00 0.00 35.03 33.23 1jbj n LYS 134 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1jbj s THR 135 N -2.98 0.62 0.02 0.58 2.01 -1.26 -5.12 115.64 109.51 1jbj s THR 135 Ca 0.13 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 61.99 1jbj s THR 135 Cb 0.17 -0.65 -0.01 0.00 0.01 0.00 0.00 72.50 72.01 1jbj s THR 135 CO 0.46 0.26 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.98 1jbj s ILE 136 N 1.09 0.28 -0.21 1.82 1.01 -1.26 -3.89 121.20 120.04 1jbj s ILE 136 Ca -0.08 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 1jbj s ILE 136 Cb -0.14 -0.34 0.10 0.00 0.01 0.00 0.00 42.46 42.09 1jbj s ILE 136 CO -0.01 -0.25 0.22 -0.54 0.00 0.00 0.00 174.94 174.36 1jbj s LYS 137 N -0.97 0.20 0.14 2.79 -0.14 0.32 -4.94 119.74 117.14 1jbj s LYS 137 Ca -0.08 0.12 -0.12 0.00 -1.36 0.00 0.00 55.97 54.54 1jbj s LYS 137 Cb -0.07 -1.18 -0.07 0.00 -1.68 0.00 0.00 37.83 34.84 1jbj s LYS 137 CO -0.00 -0.71 0.50 -0.46 -0.76 0.00 0.00 175.35 173.92 1jbj s TRP 138 N 2.31 3.57 0.27 3.18 -0.11 -1.26 0.11 118.94 127.01 1jbj s TRP 138 Ca 0.07 0.94 0.06 0.00 1.22 0.00 0.00 56.10 58.38 1jbj s TRP 138 Cb -0.16 -2.28 -0.06 0.00 -1.50 0.00 0.00 33.47 29.48 1jbj s TRP 138 CO -0.15 0.43 -0.04 -0.51 -4.62 0.00 0.00 176.95 172.06 1jbj s LEU 139 N -2.09 2.40 -0.12 5.86 1.02 0.31 -2.50 118.68 123.56 1jbj s LEU 139 Ca 0.38 -1.21 -0.01 0.00 0.02 0.00 0.00 54.13 53.31 1jbj s LEU 139 Cb -0.14 -0.54 0.03 0.00 0.02 0.00 0.00 46.19 45.57 1jbj s LEU 139 CO 0.19 -0.40 -0.04 -0.75 0.02 0.00 0.00 176.35 175.38 1jbj s LYS 140 N -3.77 1.14 -0.48 1.70 2.20 0.29 -1.68 119.74 119.15 1jbj s LYS 140 Ca 0.29 -0.23 -0.01 0.00 -0.36 0.00 0.00 55.97 55.66 1jbj s LYS 140 Cb 0.04 -1.56 0.01 0.00 -1.51 0.00 0.00 37.83 34.81 1jbj s LYS 140 CO 0.11 -0.36 0.05 -0.40 -0.36 0.00 0.00 175.35 174.39 1jbj n ASP 141 N 5.00 -2.11 0.00 1.43 5.68 -1.25 0.11 116.55 125.41 1jbj n ASP 141 Ca -0.10 0.29 0.00 0.00 -0.50 0.00 0.00 54.79 54.48 1jbj n ASP 141 Cb 0.49 -1.88 0.00 0.00 -1.14 0.00 0.00 41.12 38.59 1jbj n ASP 141 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jbj n GLY 142 N -0.65 0.89 3.41 6.12 0.00 -1.26 -5.09 105.19 108.60 1jbj n GLY 142 Ca -0.04 -0.20 -0.22 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 -2.18 3.17 -0.26 1.61 0.15 0.31 -5.12 113.70 111.38 1jbj s SER 143 Ca 0.00 -1.00 -0.17 0.00 0.70 0.00 0.00 55.95 55.48 1jbj s SER 143 Cb 0.00 -0.23 -0.03 0.00 -1.71 0.00 0.00 66.02 64.05 1jbj s SER 143 CO 0.00 -0.03 0.45 -0.63 1.20 0.00 0.00 173.24 174.23 1jbj s ILE 144 N -2.57 5.12 -0.23 6.45 1.09 -1.26 0.10 121.20 129.91 1jbj s ILE 144 Ca 0.26 0.75 -0.04 0.00 -1.10 0.00 0.00 60.65 60.51 1jbj s ILE 144 Cb -0.04 -3.77 0.08 0.00 -1.06 0.00 0.00 42.46 37.67 1jbj s ILE 144 CO 0.11 0.13 0.10 -0.51 -0.10 0.00 0.00 174.94 174.67 1jbj s ILE 145 N 2.13 0.07 0.18 2.92 2.07 -1.04 -4.91 121.20 122.62 1jbj s ILE 145 Ca 0.19 -0.53 0.11 0.00 -1.41 0.00 0.00 60.65 59.01 1jbj s ILE 145 Cb -0.16 -0.86 -0.04 0.00 0.13 0.00 0.00 42.46 41.53 1jbj s ILE 145 CO 0.09 -0.47 -0.22 -0.55 -1.91 0.00 0.00 174.94 171.88 1jbj s SER 146 N 2.05 3.57 0.86 4.50 0.15 -1.26 -4.37 113.70 119.19 1jbj s SER 146 Ca 0.05 -0.79 -0.12 0.00 0.70 0.00 0.00 55.95 55.79 1jbj s SER 146 Cb -0.16 -0.34 0.11 0.00 -1.71 0.00 0.00 66.02 63.92 1jbj s SER 146 CO -0.21 0.13 1.15 -2.16 1.20 0.00 0.00 173.24 173.35 1jbj s PRO 147 N -2.59 1.56 -0.31 5.44 0.04 -1.26 -5.06 135.00 132.83 1jbj s PRO 147 Ca 0.20 0.24 -0.01 0.00 0.04 0.00 0.00 61.00 61.48 1jbj s PRO 147 Cb -0.08 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.62 1jbj s PRO 147 CO 0.10 -1.90 0.00 -1.17 0.04 0.00 0.00 177.00 174.08 1jbj s LEU 148 N -5.82 4.01 -1.14 -3.56 1.98 -1.26 -4.62 118.68 108.27 1jbj s LEU 148 Ca 0.63 -1.44 -0.00 0.00 -2.89 0.00 0.00 54.13 50.42 1jbj s LEU 148 Cb -0.13 -1.69 0.00 0.00 0.66 0.00 0.00 46.19 45.03 1jbj s LEU 148 CO 0.52 -0.28 0.03 -3.20 -1.89 0.00 0.00 176.35 171.52 1jbj n ASN 149 N 4.55 -4.19 -3.73 3.68 4.05 -1.26 -5.01 115.26 113.36 1jbj n ASN 149 Ca -0.11 -0.03 -0.12 0.00 0.45 0.00 0.00 54.58 54.77 1jbj n ASN 149 Cb 0.43 -3.35 -0.13 0.00 1.23 0.00 0.00 39.78 37.96 1jbj n ASN 149 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1jbj s ALA 150 N -2.69 -0.61 0.00 5.20 0.00 -1.26 -5.09 121.76 117.31 1jbj s ALA 150 Ca 0.01 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1jbj s ALA 150 Cb -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.47 1jbj s ALA 150 CO 0.02 -0.20 0.00 -2.37 0.00 0.00 0.00 175.76 173.21 1jbj n THR 151 N 4.15 0.00 -3.93 0.00 5.66 -1.26 -4.61 114.28 114.28 1jbj n THR 151 Ca -0.24 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.44 1jbj n THR 151 Cb 0.53 -0.05 -0.04 0.00 -1.55 0.00 0.00 70.33 69.23 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 -0.33 -2.37 -1.36 1.09 5.02 -1.26 0.32 118.16 119.28 1jbj n LYS 152 Ca 0.00 0.27 -0.04 0.00 -2.02 0.00 0.00 58.31 56.52 1jbj n LYS 152 Cb 0.00 -4.92 -0.01 0.00 -0.02 0.00 0.00 35.03 30.07 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 -2.36 -1.23 -4.79 4.39 0.23 -1.26 -4.86 115.26 105.38 1jbj n ASN 153 Ca 0.06 0.15 -0.28 0.00 -0.53 0.00 0.00 54.58 53.99 1jbj n ASN 153 Cb 0.49 -1.42 -0.06 0.00 -2.08 0.00 0.00 39.78 36.71 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 -1.49 1.76 -0.02 5.53 -4.23 0.15 -2.22 115.64 115.11 1jbj s THR 154 Ca 0.00 -1.73 0.02 0.00 -1.18 0.00 0.00 61.69 58.79 1jbj s THR 154 Cb 0.00 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.35 1jbj s THR 154 CO 0.00 0.00 -0.06 0.86 -0.54 0.00 0.00 174.62 174.88 1jbj s TRP 155 N -2.74 0.68 -0.70 3.99 -0.00 0.41 -4.78 118.94 115.80 1jbj s TRP 155 Ca 0.28 -0.16 -0.27 0.00 -0.00 0.00 0.00 56.10 55.96 1jbj s TRP 155 Cb 0.02 -0.53 0.01 0.00 -0.00 0.00 0.00 33.47 32.96 1jbj s TRP 155 CO 0.16 -0.10 1.55 1.21 -0.00 0.00 0.00 176.95 179.77 1jbj s ASN 156 N 0.38 5.77 -0.04 5.86 2.47 -1.26 -0.74 114.94 127.39 1jbj s ASN 156 Ca -0.05 -0.17 0.09 0.00 0.42 0.00 0.00 52.86 53.15 1jbj s ASN 156 Cb -0.09 -2.55 -0.24 0.00 -1.45 0.00 0.00 41.25 36.93 1jbj s ASN 156 CO 0.00 -2.08 0.69 -0.07 -3.72 0.00 0.00 177.10 171.92 1jbj h LEU 157 N 14.58 0.07 0.00 3.21 3.38 -1.60 -3.49 115.31 131.46 1jbj h LEU 157 Ca -0.24 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1jbj h LEU 157 Cb 1.09 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1jbj h LEU 157 CO 1.26 1.13 0.00 0.61 0.09 0.00 0.00 178.44 181.53 1jbj n GLY 158 N 1.60 0.44 3.51 0.83 0.00 -1.24 -3.85 105.19 106.47 1jbj n GLY 158 Ca -0.17 -1.88 -0.39 0.00 0.00 0.00 0.00 46.02 43.57 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 5.85 0.46 1.61 3.04 -1.26 0.55 114.94 121.19 1jbj s ASN 159 Ca 0.00 -0.38 0.37 0.00 0.04 0.00 0.00 52.86 52.89 1jbj s ASN 159 Cb 0.00 -2.08 1.51 0.00 -1.54 0.00 0.00 41.25 39.14 1jbj s ASN 159 CO 0.00 -0.18 1.50 0.59 -3.04 0.00 0.00 177.10 175.96 1jbj n ASN 160 N 5.05 0.13 -0.26 -4.21 3.02 -1.14 0.10 115.26 117.96 1jbj n ASN 160 Ca -0.13 1.20 -0.01 0.00 -0.03 0.00 0.00 54.58 55.61 1jbj n ASN 160 Cb 0.50 -0.59 0.11 0.00 -0.61 0.00 0.00 39.78 39.19 1jbj n ASN 160 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jbj h ALA 161 N 1.33 0.99 -0.85 5.41 0.00 -1.93 -3.40 119.26 120.82 1jbj h ALA 161 Ca 0.87 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.66 1jbj h ALA 161 Cb 3.03 -0.16 -0.16 0.00 0.00 0.00 0.00 17.79 20.51 1jbj h ALA 161 CO -0.30 0.12 -0.43 1.17 0.00 0.00 0.00 179.25 179.81 1jbj n LYS 162 N -4.74 0.47 -4.39 0.00 4.81 0.29 -4.92 118.16 109.69 1jbj n LYS 162 Ca 0.10 -1.83 -0.29 0.00 -0.87 0.00 0.00 58.31 55.42 1jbj n LYS 162 Cb 0.18 -1.20 -0.13 0.00 0.02 0.00 0.00 35.03 33.90 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 0.84 3.31 0.99 3.14 -4.77 -0.62 -4.51 116.67 115.05 1jbj s ASP 163 Ca 0.29 -0.76 -0.14 0.00 -3.30 0.00 0.00 52.55 48.64 1jbj s ASP 163 Cb 0.03 -0.22 0.05 0.00 -1.09 0.00 0.00 42.92 41.68 1jbj s ASP 163 CO -0.06 0.17 0.30 -2.65 0.70 0.00 0.00 175.17 173.63 1jbj n PRO 164 N 0.87 -0.55 -4.08 2.11 -0.02 -1.25 -3.88 135.00 128.21 1jbj n PRO 164 Ca -0.18 -0.12 -0.11 0.00 -2.02 0.00 0.00 63.50 61.07 1jbj n PRO 164 Cb 0.53 -1.81 -0.06 0.00 -0.02 0.00 0.00 33.50 32.14 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 -3.57 1.52 0.00 -0.52 1.70 -1.26 -4.74 118.95 112.09 1jbj s ARG 165 Ca 0.56 -1.47 0.00 0.00 -0.47 0.00 0.00 55.73 54.36 1jbj s ARG 165 Cb -0.19 0.41 0.00 0.00 -0.57 0.00 0.00 34.95 34.60 1jbj s ARG 165 CO 0.68 -0.60 0.00 0.41 -1.08 0.00 0.00 175.30 174.70 1jbj n GLY 166 N -0.39 0.53 3.73 3.88 0.00 -1.03 -5.00 105.19 106.91 1jbj n GLY 166 Ca 0.00 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 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 4.77 -0.06 2.61 -4.23 -1.25 -0.63 115.64 112.85 1jbj s THR 167 Ca 0.00 -0.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.45 1jbj s THR 167 Cb 0.00 -3.06 0.02 0.00 1.34 0.00 0.00 72.50 70.80 1jbj s THR 167 CO 0.00 0.58 -0.05 -0.31 -0.54 0.00 0.00 174.62 174.30 1jbj s TYR 168 N -0.62 0.88 -0.12 3.99 1.51 -0.34 -3.75 117.35 118.89 1jbj s TYR 168 Ca 0.11 -0.28 -0.05 0.00 -1.01 0.00 0.00 57.07 55.83 1jbj s TYR 168 Cb -0.12 -0.78 -0.04 0.00 -0.11 0.00 0.00 41.96 40.91 1jbj s TYR 168 CO 0.02 -0.25 0.08 -0.65 -1.11 0.00 0.00 175.55 173.64 1jbj s GLN 169 N 1.13 3.41 -0.01 -0.62 1.11 -0.68 0.12 119.66 124.13 1jbj s GLN 169 Ca -0.07 -0.26 0.01 0.00 0.01 0.00 0.00 55.36 55.05 1jbj s GLN 169 Cb -0.14 -3.07 -0.04 0.00 -1.01 0.00 0.00 33.01 28.75 1jbj s GLN 169 CO -0.01 0.65 -0.01 0.00 0.01 0.00 0.00 175.29 175.93 1jbj s GLN 171 N -1.47 2.56 0.13 0.00 -0.44 0.30 -1.27 119.66 119.48 1jbj s GLN 171 Ca 0.19 -0.70 0.06 0.00 -2.50 0.00 0.00 55.36 52.41 1jbj s GLN 171 Cb -0.11 -2.04 -0.04 0.00 -1.64 0.00 0.00 33.01 29.17 1jbj s GLN 171 CO 0.09 0.05 -0.15 0.20 0.50 0.00 0.00 175.29 175.98 1jbj s GLY 172 N 0.67 1.14 0.06 2.59 0.00 0.41 -0.52 107.32 111.67 1jbj s GLY 172 Ca -0.13 -1.34 -0.12 0.00 0.00 0.00 0.00 44.72 43.14 1jbj s GLY 172 CO 0.03 -1.39 0.71 0.00 0.00 0.00 0.00 173.10 172.45 1jbj n ALA 173 N 0.47 -0.25 -0.86 3.20 0.00 -1.25 -2.10 120.51 119.72 1jbj n ALA 173 Ca -0.15 0.33 0.03 0.00 0.00 0.00 0.00 53.44 53.65 1jbj n ALA 173 Cb 0.57 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.06 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 -4.16 1.38 -3.80 0.00 0.00 -1.26 -5.03 118.16 105.29 1jbj n LYS 174 Ca 0.01 -1.54 -0.13 0.00 0.00 0.00 0.00 58.31 56.65 1jbj n LYS 174 Cb 0.10 -0.97 -0.14 0.00 0.00 0.00 0.00 35.03 34.03 1jbj n LYS 174 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1jbj s GLU 175 N -1.19 0.10 -0.04 1.64 8.01 -0.89 -5.04 118.70 121.29 1jbj s GLU 175 Ca 0.10 0.23 0.02 0.00 0.01 0.00 0.00 54.97 55.32 1jbj s GLU 175 Cb 0.08 -0.04 0.01 0.00 -4.31 0.00 0.00 34.13 29.88 1jbj s GLU 175 CO 0.01 -0.07 -0.08 0.99 0.01 0.00 0.00 175.26 176.11 1jbj s THR 176 N 0.49 0.78 0.33 3.63 2.01 -1.26 0.16 115.64 121.78 1jbj s THR 176 Ca -0.04 -0.31 -0.04 0.00 0.31 0.00 0.00 61.69 61.61 1jbj s THR 176 Cb -0.05 -0.73 -0.05 0.00 0.01 0.00 0.00 72.50 71.69 1jbj s THR 176 CO -0.02 0.26 0.58 -0.44 -0.69 0.00 0.00 174.62 174.31 1jbj s SER 177 N 0.50 6.39 0.72 3.53 0.01 -0.39 -2.85 113.70 121.61 1jbj s SER 177 Ca -0.08 0.67 -0.09 0.00 1.31 0.00 0.00 55.95 57.76 1jbj s SER 177 Cb -0.12 -2.13 0.05 0.00 0.21 0.00 0.00 66.02 64.03 1jbj s SER 177 CO 0.01 -0.27 1.07 0.20 0.41 0.00 0.00 173.24 174.66 1jbj s ASN 178 N -3.50 4.96 -0.26 2.44 0.01 -1.26 -2.95 114.94 114.38 1jbj s ASN 178 Ca 0.43 0.73 -0.29 0.00 -0.71 0.00 0.00 52.86 53.03 1jbj s ASN 178 Cb -0.10 -1.42 -0.06 0.00 0.41 0.00 0.00 41.25 40.08 1jbj s ASN 178 CO 0.33 -1.56 2.24 -2.65 -1.51 0.00 0.00 177.10 173.95 1jbj n PRO 179 N -3.01 1.75 -2.70 -0.60 -0.02 -1.25 -4.44 135.00 124.74 1jbj n PRO 179 Ca 0.07 0.45 -0.43 0.00 -2.02 0.00 0.00 63.50 61.58 1jbj n PRO 179 Cb 0.60 -3.13 -0.02 0.00 -0.02 0.00 0.00 33.50 30.92 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 8.50 4.16 -0.92 2.45 2.96 0.33 -4.56 118.68 131.60 1jbj s LEU 180 Ca 1.02 1.41 -0.21 0.00 -0.22 0.00 0.00 54.13 56.13 1jbj s LEU 180 Cb -0.40 -3.51 0.09 0.00 0.50 0.00 0.00 46.19 42.87 1jbj s LEU 180 CO 0.37 -0.56 1.22 -1.58 -1.32 0.00 0.00 176.35 174.47 1jbj s GLN 181 N 2.68 3.52 -0.69 1.98 2.00 -1.25 -1.20 119.66 126.69 1jbj s GLN 181 Ca 0.45 -1.37 -0.18 0.00 -2.00 0.00 0.00 55.36 52.26 1jbj s GLN 181 Cb -0.16 -4.94 0.13 0.00 0.80 0.00 0.00 33.01 28.83 1jbj s GLN 181 CO 0.11 -1.94 0.79 0.08 -0.50 0.00 0.00 175.29 173.83 1jbj s VAL 182 N 3.75 4.93 -0.75 1.34 1.01 0.19 -0.60 120.40 130.26 1jbj s VAL 182 Ca 0.36 -1.33 -0.17 0.00 0.00 0.00 0.00 61.98 60.84 1jbj s VAL 182 Cb -0.05 -4.54 0.15 0.00 0.00 0.00 0.00 36.38 31.94 1jbj s VAL 182 CO -0.06 -1.18 0.82 -0.47 0.00 0.00 0.00 175.10 174.20 1jbj s TYR 183 N 2.30 3.30 0.00 5.22 5.04 -0.93 -2.46 117.35 129.81 1jbj s TYR 183 Ca 0.16 -1.43 0.00 0.00 -2.44 0.00 0.00 57.07 53.36 1jbj s TYR 183 Cb -0.18 -4.01 0.00 0.00 0.35 0.00 0.00 41.96 38.12 1jbj s TYR 183 CO 0.01 -1.23 0.00 0.66 -1.34 0.00 0.00 175.55 173.65 1jbj n TYR 184 N 5.54 0.00 -4.32 4.97 4.01 -1.24 -2.05 117.16 124.07 1jbj n TYR 184 Ca 0.06 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.63 1jbj n TYR 184 Cb 0.45 -0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.38 1jbj n TYR 184 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1jbj s ARG 185 N -0.04 1.34 0.00 -0.72 1.81 -1.25 -4.40 118.95 115.70 1jbj s ARG 185 Ca 0.00 -1.69 0.10 0.00 -1.72 0.00 0.00 55.73 52.42 1jbj s ARG 185 Cb 0.00 -0.52 0.58 0.00 -0.45 0.00 0.00 34.95 34.56 1jbj s ARG 185 CO 0.00 -0.15 1.03 -0.12 -0.68 0.00 0.00 175.30 175.38