#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 1.40 -1.28 -2.24 8.00 -1.26 -4.72 116.55 116.45 1jbj n ASP 2 Ca 0.00 -2.04 0.16 0.00 0.71 0.00 0.00 54.79 53.62 1jbj n ASP 2 Cb 0.00 -0.33 -0.06 0.00 -0.02 0.00 0.00 41.12 40.70 1jbj n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jbj n ALA 3 N -2.60 -3.34 -0.68 2.24 0.00 -1.26 -4.84 120.51 110.03 1jbj n ALA 3 Ca -0.10 0.62 -0.31 0.00 0.00 0.00 0.00 53.44 53.65 1jbj n ALA 3 Cb 0.43 -1.28 0.17 0.00 0.00 0.00 0.00 19.45 18.76 1jbj n ALA 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jbj n GLU 4 N -4.11 -0.54 -1.83 0.00 4.71 -1.26 -4.93 120.64 112.68 1jbj n GLU 4 Ca -0.03 -0.10 0.01 0.00 -0.01 0.00 0.00 57.16 57.03 1jbj n GLU 4 Cb 0.60 -2.31 0.02 0.00 -1.01 0.00 0.00 31.44 28.74 1jbj n GLU 4 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1jbj n ASN 5 N -3.94 0.60 -5.00 1.62 3.02 -1.26 -4.92 115.26 105.38 1jbj n ASN 5 Ca 0.11 -2.02 -0.19 0.00 -0.03 0.00 0.00 54.58 52.45 1jbj n ASN 5 Cb 0.52 -0.16 0.05 0.00 -0.61 0.00 0.00 39.78 39.58 1jbj n ASN 5 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jbj s ILE 6 N -0.90 2.44 0.73 2.41 -1.09 -1.26 -5.02 121.20 118.51 1jbj s ILE 6 Ca 0.25 -0.96 -0.09 0.00 -2.23 0.00 0.00 60.65 57.62 1jbj s ILE 6 Cb 0.31 -2.48 0.06 0.00 -1.58 0.00 0.00 42.46 38.77 1jbj s ILE 6 CO -0.11 0.00 1.07 -1.61 -1.23 0.00 0.00 174.94 173.06 1jbj s GLU 7 N -4.60 2.21 0.23 2.79 0.41 -1.26 -4.63 118.70 113.86 1jbj s GLU 7 Ca 0.60 -0.06 -0.32 0.00 -0.41 0.00 0.00 54.97 54.78 1jbj s GLU 7 Cb -0.07 -2.09 -0.13 0.00 -1.78 0.00 0.00 34.13 30.05 1jbj s GLU 7 CO 0.37 -1.31 1.44 0.66 -0.49 0.00 0.00 175.26 175.94 1jbj n TYR 8 N -3.04 2.21 -3.91 1.61 4.01 -1.26 -4.88 117.16 111.91 1jbj n TYR 8 Ca 0.08 0.40 -0.35 0.00 -0.16 0.00 0.00 57.90 57.86 1jbj n TYR 8 Cb 0.60 -2.48 -0.14 0.00 -0.31 0.00 0.00 39.34 37.01 1jbj n TYR 8 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1jbj s LYS 9 N -0.20 3.30 -0.08 -0.72 2.20 -1.02 -4.89 119.74 118.33 1jbj s LYS 9 Ca 0.70 -0.67 -0.03 0.00 -0.36 0.00 0.00 55.97 55.61 1jbj s LYS 9 Cb -0.65 -3.02 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 1jbj s LYS 9 CO 0.48 -0.23 0.04 0.08 -0.36 0.00 0.00 175.35 175.36 1jbj s VAL 10 N 1.46 4.62 -0.22 4.02 1.01 -1.26 -0.09 120.40 129.94 1jbj s VAL 10 Ca 0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 1jbj s VAL 10 Cb -0.15 -2.99 0.11 0.00 0.00 0.00 0.00 36.38 33.35 1jbj s VAL 10 CO -0.03 0.56 0.44 -0.55 0.00 0.00 0.00 175.10 175.52 1jbj s SER 11 N -1.07 -0.31 -0.17 3.32 0.15 -0.51 -4.97 113.70 110.13 1jbj s SER 11 Ca 0.15 0.93 -0.26 0.00 0.70 0.00 0.00 55.95 57.47 1jbj s SER 11 Cb -0.12 1.45 -0.01 0.00 -1.71 0.00 0.00 66.02 65.63 1jbj s SER 11 CO 0.05 -0.24 0.87 -0.63 1.20 0.00 0.00 173.24 174.48 1jbj s ILE 12 N 2.64 4.85 -0.18 6.45 1.01 -1.26 0.09 121.20 134.81 1jbj s ILE 12 Ca 0.01 1.71 0.01 0.00 0.00 0.00 0.00 60.65 62.38 1jbj s ILE 12 Cb -0.13 -4.17 0.03 0.00 0.01 0.00 0.00 42.46 38.21 1jbj s ILE 12 CO -0.14 0.01 -0.13 -0.44 0.00 0.00 0.00 174.94 174.24 1jbj s SER 13 N 1.15 3.16 -1.01 3.58 0.01 0.49 -4.86 113.70 116.24 1jbj s SER 13 Ca 0.40 -0.74 -0.16 0.00 1.31 0.00 0.00 55.95 56.76 1jbj s SER 13 Cb -0.17 -1.27 0.01 0.00 0.21 0.00 0.00 66.02 64.81 1jbj s SER 13 CO 0.13 -0.10 0.67 0.61 0.41 0.00 0.00 173.24 174.96 1jbj n GLY 14 N 4.69 -1.09 2.89 3.44 0.00 -1.26 0.20 105.19 114.06 1jbj n GLY 14 Ca -0.16 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.65 0.00 -4.31 2.61 -1.04 -1.26 -4.66 114.28 101.97 1jbj n THR 15 Ca -0.18 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.58 1jbj n THR 15 Cb 0.62 -0.79 -0.09 0.00 -1.82 0.00 0.00 70.33 68.24 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 -2.01 4.28 -0.15 8.00 0.01 0.13 -1.08 113.70 122.88 1jbj s SER 16 Ca 0.00 -0.66 0.02 0.00 1.31 0.00 0.00 55.95 56.62 1jbj s SER 16 Cb 0.00 -0.71 0.01 0.00 0.21 0.00 0.00 66.02 65.53 1jbj s SER 16 CO 0.00 0.06 -0.20 -0.69 0.41 0.00 0.00 173.24 172.82 1jbj s VAL 17 N -2.03 1.96 -0.35 3.43 1.01 0.33 0.19 120.40 124.94 1jbj s VAL 17 Ca 0.28 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 1jbj s VAL 17 Cb -0.07 -1.75 0.07 0.00 0.00 0.00 0.00 36.38 34.62 1jbj s VAL 17 CO 0.17 0.53 0.11 -0.70 0.00 0.00 0.00 175.10 175.20 1jbj s GLU 18 N 1.01 2.39 0.15 2.72 2.12 0.11 0.22 118.70 127.42 1jbj s GLU 18 Ca -0.03 -1.40 -0.03 0.00 0.36 0.00 0.00 54.97 53.86 1jbj s GLU 18 Cb -0.15 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.78 1jbj s GLU 18 CO -0.06 -0.78 0.37 -0.51 -0.54 0.00 0.00 175.26 173.74 1jbj s LEU 19 N 1.28 4.26 -0.17 2.70 1.43 0.23 -1.42 118.68 126.99 1jbj s LEU 19 Ca -0.00 0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 1jbj s LEU 19 Cb -0.21 -3.26 0.02 0.00 0.03 0.00 0.00 46.19 42.78 1jbj s LEU 19 CO -0.00 0.04 -0.19 -0.89 0.23 0.00 0.00 176.35 175.53 1jbj s THR 20 N -1.70 1.98 0.16 5.49 2.01 0.87 -0.38 115.64 124.07 1jbj s THR 20 Ca 0.40 -0.89 -0.11 0.00 0.31 0.00 0.00 61.69 61.40 1jbj s THR 20 Cb -0.12 -1.79 -0.07 0.00 0.01 0.00 0.00 72.50 70.53 1jbj s THR 20 CO 0.26 0.53 0.50 0.00 -0.69 0.00 0.00 174.62 175.22 1jbj n PRO 22 N 0.47 1.24 -3.71 0.00 -0.04 -1.26 -4.76 135.00 126.94 1jbj n PRO 22 Ca -0.04 -0.50 -0.15 0.00 -0.04 0.00 0.00 63.50 62.78 1jbj n PRO 22 Cb 0.52 -1.19 -0.15 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.57 0.36 0.47 1.53 1.43 -1.26 -4.89 118.68 115.75 1jbj s LEU 23 Ca 0.10 0.32 -0.21 0.00 -1.03 0.00 0.00 54.13 53.30 1jbj s LEU 23 Cb 0.08 0.33 -0.11 0.00 0.03 0.00 0.00 46.19 46.52 1jbj s LEU 23 CO 0.00 -0.19 0.59 0.47 0.23 0.00 0.00 176.35 177.46 1jbj n ASP 24 N 4.71 -0.68 -4.56 2.29 8.00 -1.26 -4.57 116.55 120.47 1jbj n ASP 24 Ca -0.17 0.87 -0.33 0.00 0.71 0.00 0.00 54.79 55.87 1jbj n ASP 24 Cb 0.51 -1.16 -0.04 0.00 -0.02 0.00 0.00 41.12 40.41 1jbj n ASP 24 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1jbj s SER 25 N -0.99 5.42 0.58 -2.24 1.04 -1.26 -4.81 113.70 111.43 1jbj s SER 25 Ca 0.65 -0.43 -0.04 0.00 0.48 0.00 0.00 55.95 56.61 1jbj s SER 25 Cb -0.54 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.04 1jbj s SER 25 CO 0.57 -2.42 0.86 -0.62 0.98 0.00 0.00 173.24 172.61 1jbj s ASP 26 N 7.38 5.46 0.00 7.02 2.15 -1.26 -4.88 116.67 132.53 1jbj s ASP 26 Ca 0.64 0.50 0.00 0.00 0.43 0.00 0.00 52.55 54.11 1jbj s ASP 26 Cb -0.08 -1.46 0.00 0.00 -0.30 0.00 0.00 42.92 41.08 1jbj s ASP 26 CO 0.06 -1.10 0.89 -0.62 -0.17 0.00 0.00 175.17 174.23 1jbj n GLU 27 N -2.52 0.93 -0.36 4.34 -0.58 -1.26 -2.50 120.64 118.68 1jbj n GLU 27 Ca 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1jbj n GLU 27 Cb 0.58 -1.08 0.00 0.00 -0.57 0.00 0.00 31.44 30.38 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 0.48 0.00 -4.74 1.62 3.02 -1.26 -5.05 115.26 109.33 1jbj n ASN 28 Ca 0.00 -0.86 -0.41 0.00 -0.03 0.00 0.00 54.58 53.28 1jbj n ASN 28 Cb 0.44 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.58 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 4.49 0.11 3.41 2.96 -1.04 -4.33 118.68 124.29 1jbj s LEU 29 Ca 0.00 2.19 0.04 0.00 -0.22 0.00 0.00 54.13 56.14 1jbj s LEU 29 Cb 0.00 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 1jbj s LEU 29 CO 0.00 -0.26 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.14 1jbj s LYS 30 N -0.61 0.92 0.24 1.98 3.01 -0.89 -3.39 119.74 121.00 1jbj s LYS 30 Ca 0.49 -1.29 0.10 0.00 -1.01 0.00 0.00 55.97 54.26 1jbj s LYS 30 Cb -0.31 -0.51 -0.05 0.00 -1.01 0.00 0.00 37.83 35.95 1jbj s LYS 30 CO 0.37 0.06 -0.17 -1.58 0.51 0.00 0.00 175.35 174.54 1jbj s TRP 31 N -2.95 1.99 0.04 3.18 0.52 -1.16 -2.59 118.94 117.96 1jbj s TRP 31 Ca 0.11 -0.45 0.02 0.00 0.02 0.00 0.00 56.10 55.79 1jbj s TRP 31 Cb 0.00 -0.89 -0.02 0.00 -1.15 0.00 0.00 33.47 31.41 1jbj s TRP 31 CO -0.01 0.52 -0.08 -1.21 0.02 0.00 0.00 176.95 176.20 1jbj s GLU 32 N -3.52 0.54 -0.31 4.98 2.02 -0.72 -1.14 118.70 120.54 1jbj s GLU 32 Ca 0.26 -0.78 -0.02 0.00 0.02 0.00 0.00 54.97 54.45 1jbj s GLU 32 Cb -0.03 -0.28 0.10 0.00 0.10 0.00 0.00 34.13 34.02 1jbj s GLU 32 CO 0.11 0.04 0.11 0.21 0.02 0.00 0.00 175.26 175.75 1jbj s LYS 33 N -1.68 0.55 0.72 1.61 2.36 0.24 -2.19 119.74 121.36 1jbj s LYS 33 Ca -0.09 -0.92 0.00 0.00 -2.55 0.00 0.00 55.97 52.41 1jbj s LYS 33 Cb -0.09 -1.70 0.00 0.00 -1.05 0.00 0.00 37.83 34.98 1jbj s LYS 33 CO 0.00 -1.01 0.00 -1.71 1.55 0.00 0.00 175.35 174.18 1jbj n ASN 34 N 4.93 0.00 -0.03 1.43 5.15 0.18 -1.32 115.26 125.60 1jbj n ASN 34 Ca -0.03 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 53.92 1jbj n ASN 34 Cb 0.42 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.63 1jbj n ASN 34 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jbj n GLY 35 N 0.00 -0.16 3.88 8.20 0.00 -1.26 -4.90 105.19 110.95 1jbj n GLY 35 Ca 0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.11 3.78 -0.01 1.61 -0.21 -0.43 -5.09 119.66 117.19 1jbj s GLN 36 Ca -0.05 0.33 0.08 0.00 0.02 0.00 0.00 55.36 55.74 1jbj s GLN 36 Cb 0.02 -2.53 -0.02 0.00 1.00 0.00 0.00 33.01 31.47 1jbj s GLN 36 CO 0.17 0.15 -0.25 -1.83 -2.12 0.00 0.00 175.29 171.41 1jbj s GLU 37 N -3.37 2.09 -0.47 2.91 1.03 -1.26 0.82 118.70 120.45 1jbj s GLU 37 Ca 0.49 -0.94 -0.15 0.00 0.03 0.00 0.00 54.97 54.40 1jbj s GLU 37 Cb -0.11 -2.06 0.08 0.00 -0.80 0.00 0.00 34.13 31.25 1jbj s GLU 37 CO 0.26 0.56 0.39 -0.51 -1.33 0.00 0.00 175.26 174.63 1jbj s LEU 38 N -0.72 5.64 0.95 1.83 1.02 -0.29 -4.95 118.68 122.16 1jbj s LEU 38 Ca 0.10 -1.41 -0.15 0.00 0.02 0.00 0.00 54.13 52.70 1jbj s LEU 38 Cb -0.10 -2.16 0.20 0.00 0.02 0.00 0.00 46.19 44.15 1jbj s LEU 38 CO -0.00 -0.66 1.30 -2.16 0.02 0.00 0.00 176.35 174.85 1jbj s PRO 39 N 1.61 0.62 -1.68 1.29 0.04 -1.26 -3.01 135.00 132.61 1jbj s PRO 39 Ca 0.04 -0.55 0.00 0.00 0.04 0.00 0.00 61.00 60.53 1jbj s PRO 39 Cb -0.25 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1jbj s PRO 39 CO 0.06 -2.39 0.00 1.04 0.04 0.00 0.00 177.00 175.75 1jbj n GLN 40 N -3.71 -1.66 -3.25 4.56 6.02 -1.26 -4.89 117.38 113.19 1jbj n GLN 40 Ca 0.16 0.94 -0.39 0.00 -0.01 0.00 0.00 57.00 57.70 1jbj n GLN 40 Cb 0.59 -5.44 -0.02 0.00 1.02 0.00 0.00 30.24 26.39 1jbj n GLN 40 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1jbj n LYS 41 N -2.59 3.66 -0.93 -1.09 0.00 -1.25 -4.87 118.16 111.09 1jbj n LYS 41 Ca -0.19 -4.55 -0.16 0.00 0.00 0.00 0.00 58.31 53.41 1jbj n LYS 41 Cb 0.62 -2.46 0.01 0.00 0.00 0.00 0.00 35.03 33.21 1jbj n LYS 41 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1jbj n HIS 42 N 1.63 1.31 -4.62 5.64 8.25 -1.22 -3.74 115.22 122.48 1jbj n HIS 42 Ca 0.26 -1.84 -0.25 0.00 -0.26 0.00 0.00 57.72 55.63 1jbj n HIS 42 Cb 0.36 -0.99 -0.14 0.00 1.12 0.00 0.00 29.99 30.34 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 0.48 2.46 0.21 0.41 -1.08 -1.26 -4.42 116.67 113.46 1jbj s ASP 43 Ca 0.33 -0.53 -0.02 0.00 -0.52 0.00 0.00 52.55 51.81 1jbj s ASP 43 Cb 0.24 -0.20 0.17 0.00 -1.46 0.00 0.00 42.92 41.66 1jbj s ASP 43 CO -0.03 0.15 1.54 0.50 0.52 0.00 0.00 175.17 177.85 1jbj h LYS 44 N 4.83 0.52 -4.81 4.34 3.11 -1.87 -3.41 116.57 119.27 1jbj h LYS 44 Ca -0.43 -0.31 -0.67 0.00 -2.81 0.00 0.00 60.65 56.43 1jbj h LYS 44 Cb 1.16 0.03 -0.25 0.00 -1.00 0.00 0.00 32.23 32.16 1jbj h LYS 44 CO 0.44 0.90 -0.61 -3.38 -2.81 0.00 0.00 179.45 173.99 1jbj s HIS 45 N -4.05 3.14 0.01 1.91 -3.43 -1.26 -0.36 115.29 111.26 1jbj s HIS 45 Ca -0.07 -0.88 -0.26 0.00 -0.80 0.00 0.00 55.06 53.05 1jbj s HIS 45 Cb 0.12 -2.27 -0.04 0.00 -1.43 0.00 0.00 32.58 28.96 1jbj s HIS 45 CO 0.83 -0.54 0.81 -1.17 -2.00 0.00 0.00 174.74 172.67 1jbj s LEU 46 N 1.52 4.40 -0.07 5.38 2.96 0.49 -4.83 118.68 128.54 1jbj s LEU 46 Ca 0.03 1.45 -0.00 0.00 -0.22 0.00 0.00 54.13 55.39 1jbj s LEU 46 Cb -0.17 -3.29 -0.03 0.00 0.50 0.00 0.00 46.19 43.19 1jbj s LEU 46 CO 0.03 -0.09 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.26 1jbj s VAL 47 N 0.41 4.07 -0.42 1.68 1.01 -1.26 0.77 120.40 126.67 1jbj s VAL 47 Ca 0.42 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.04 1jbj s VAL 47 Cb -0.20 -2.71 0.12 0.00 0.00 0.00 0.00 36.38 33.59 1jbj s VAL 47 CO 0.23 0.57 0.17 -0.76 0.00 0.00 0.00 175.10 175.31 1jbj s LEU 48 N -0.96 3.58 -0.21 3.92 1.43 0.59 -4.93 118.68 122.10 1jbj s LEU 48 Ca 0.14 -2.45 -0.28 0.00 -1.03 0.00 0.00 54.13 50.51 1jbj s LEU 48 Cb -0.11 -1.32 0.00 0.00 0.03 0.00 0.00 46.19 44.79 1jbj s LEU 48 CO 0.03 -0.31 0.99 -1.10 0.23 0.00 0.00 176.35 176.20 1jbj s GLN 49 N 0.53 4.28 -0.33 1.70 -0.21 -1.26 0.12 119.66 124.49 1jbj s GLN 49 Ca 0.14 1.29 -0.01 0.00 0.02 0.00 0.00 55.36 56.81 1jbj s GLN 49 Cb -0.22 -3.62 0.00 0.00 1.00 0.00 0.00 33.01 30.17 1jbj s GLN 49 CO -0.06 -0.54 0.32 -3.47 -2.12 0.00 0.00 175.29 169.41 1jbj n ASP 50 N 5.99 -4.67 -4.76 5.90 2.03 -0.24 -4.97 116.55 115.83 1jbj n ASP 50 Ca 0.10 -0.01 -0.41 0.00 0.52 0.00 0.00 54.79 55.00 1jbj n ASP 50 Cb 0.47 -2.98 -0.03 0.00 -0.72 0.00 0.00 41.12 37.86 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 -2.89 3.22 -0.23 -0.67 5.36 -1.13 -5.03 117.98 116.62 1jbj s PHE 51 Ca 0.01 1.40 -0.02 0.00 -0.96 0.00 0.00 56.93 57.36 1jbj s PHE 51 Cb -0.00 -3.58 0.07 0.00 -0.34 0.00 0.00 43.02 39.17 1jbj s PHE 51 CO 0.34 -1.61 0.05 -1.12 -1.46 0.00 0.00 175.22 171.42 1jbj s SER 52 N -0.29 3.29 0.23 6.13 0.01 -1.26 -4.06 113.70 117.74 1jbj s SER 52 Ca 0.51 -1.07 -0.07 0.00 1.31 0.00 0.00 55.95 56.63 1jbj s SER 52 Cb -0.37 -0.70 0.28 0.00 0.21 0.00 0.00 66.02 65.43 1jbj s SER 52 CO 0.46 -0.33 1.85 -0.08 0.41 0.00 0.00 173.24 175.54 1jbj h GLU 53 N 8.19 0.88 -0.47 12.44 4.81 -1.78 1.28 114.58 139.93 1jbj h GLU 53 Ca -0.16 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1jbj h GLU 53 Cb 1.09 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 30.20 1jbj h GLU 53 CO 0.38 0.58 0.11 0.28 -0.73 0.00 0.00 179.01 179.63 1jbj h VAL 54 N 0.91 0.76 -0.02 0.32 2.07 -1.95 -1.40 116.25 116.94 1jbj h VAL 54 Ca 0.34 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1jbj h VAL 54 Cb 0.12 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1jbj h VAL 54 CO -0.16 0.05 -0.21 -0.62 0.02 0.00 0.00 177.57 176.65 1jbj n GLU 55 N -5.09 1.54 -2.99 1.57 1.02 -0.92 -4.43 120.64 111.34 1jbj n GLU 55 Ca 0.05 -1.16 -0.18 0.00 -0.02 0.00 0.00 57.16 55.85 1jbj n GLU 55 Cb 0.22 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 1jbj n GLU 55 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1jbj n ASP 56 N 0.28 1.86 -4.02 1.62 9.92 0.44 -5.00 116.55 121.65 1jbj n ASP 56 Ca 0.13 -3.11 -0.33 0.00 -0.53 0.00 0.00 54.79 50.95 1jbj n ASP 56 Cb 0.46 -0.58 -0.13 0.00 -0.64 0.00 0.00 41.12 40.24 1jbj n ASP 56 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1jbj s SER 57 N -2.83 4.75 0.00 -2.24 0.01 -0.60 -4.54 113.70 108.26 1jbj s SER 57 Ca 0.39 -2.76 0.00 0.00 1.31 0.00 0.00 55.95 54.89 1jbj s SER 57 Cb 0.36 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.87 1jbj s SER 57 CO -0.07 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.86 1jbj n GLY 58 N 3.51 1.66 3.77 3.44 0.00 -1.17 -5.03 105.19 111.37 1jbj n GLY 58 Ca 0.05 0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 0.77 2.09 0.04 1.61 1.51 -1.26 -1.28 117.35 120.83 1jbj s TYR 59 Ca 0.00 -0.80 -0.09 0.00 -1.01 0.00 0.00 57.07 55.17 1jbj s TYR 59 Cb 0.00 -1.79 0.00 0.00 -0.11 0.00 0.00 41.96 40.06 1jbj s TYR 59 CO 0.00 0.09 0.18 0.71 -1.11 0.00 0.00 175.55 175.43 1jbj s TYR 60 N -2.76 0.07 0.11 2.71 1.51 0.29 -0.65 117.35 118.63 1jbj s TYR 60 Ca 0.25 -0.29 -0.13 0.00 -1.01 0.00 0.00 57.07 55.89 1jbj s TYR 60 Cb 0.03 -0.04 0.02 0.00 -0.11 0.00 0.00 41.96 41.86 1jbj s TYR 60 CO 0.14 -0.42 0.33 0.54 -1.11 0.00 0.00 175.55 175.03 1jbj s VAL 61 N -2.51 0.10 -0.05 0.71 0.11 -0.93 -0.03 120.40 117.79 1jbj s VAL 61 Ca -0.06 -0.78 -0.02 0.00 -2.93 0.00 0.00 61.98 58.19 1jbj s VAL 61 Cb -0.01 -1.22 0.04 0.00 -1.53 0.00 0.00 36.38 33.66 1jbj s VAL 61 CO -0.04 -0.43 0.12 0.00 -3.33 0.00 0.00 175.10 171.42 1jbj s TYR 63 N 1.12 -0.14 0.29 0.00 1.13 -1.07 -4.58 117.35 114.10 1jbj s TYR 63 Ca -0.09 -0.19 0.04 0.00 -1.41 0.00 0.00 57.07 55.43 1jbj s TYR 63 Cb -0.12 0.20 -0.06 0.00 -1.10 0.00 0.00 41.96 40.89 1jbj s TYR 63 CO -0.05 -0.67 0.01 0.99 -2.51 0.00 0.00 175.55 173.32 1jbj s THR 64 N -3.79 1.26 0.13 -3.49 2.01 -0.85 -2.10 115.64 108.81 1jbj s THR 64 Ca 0.03 -2.04 -0.26 0.00 0.31 0.00 0.00 61.69 59.73 1jbj s THR 64 Cb 0.02 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 1jbj s THR 64 CO -0.12 -0.16 1.61 -0.65 -0.69 0.00 0.00 174.62 174.61 1jbj h PRO 65 N 2.25 -0.41 0.00 4.92 0.11 -2.00 -1.01 132.00 135.86 1jbj h PRO 65 Ca -0.40 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.73 1jbj h PRO 65 Cb 1.24 0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 1jbj h PRO 65 CO 0.68 -0.27 -0.02 0.00 -0.21 0.00 0.00 178.00 178.17 1jbj h ALA 66 N 0.36 1.01 -3.09 -0.75 0.00 -1.97 -3.37 119.26 111.44 1jbj h ALA 66 Ca 0.08 -0.02 -0.70 0.00 0.00 0.00 0.00 54.91 54.27 1jbj h ALA 66 Cb 0.54 -0.00 -0.34 0.00 0.00 0.00 0.00 17.79 17.99 1jbj h ALA 66 CO -0.31 0.03 -0.42 0.45 0.00 0.00 0.00 179.25 179.00 1jbj s SER 67 N -5.76 5.34 -0.06 0.00 0.15 -0.39 -4.91 113.70 108.08 1jbj s SER 67 Ca 0.01 -2.45 0.11 0.00 0.70 0.00 0.00 55.95 54.32 1jbj s SER 67 Cb 0.09 -1.87 0.41 0.00 -1.71 0.00 0.00 66.02 62.94 1jbj s SER 67 CO 0.56 -0.47 1.26 -3.20 1.20 0.00 0.00 173.24 172.58 1jbj n ASN 68 N 4.06 2.87 -4.13 5.45 5.15 -1.24 -2.01 115.26 125.40 1jbj n ASN 68 Ca 0.03 -2.23 -0.33 0.00 -0.60 0.00 0.00 54.58 51.44 1jbj n ASN 68 Cb 0.40 -0.42 -0.15 0.00 -0.53 0.00 0.00 39.78 39.07 1jbj n ASN 68 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1jbj s LYS 69 N -1.69 2.66 0.10 1.20 -2.85 -1.26 -5.07 119.74 112.84 1jbj s LYS 69 Ca 0.29 -1.07 0.03 0.00 -1.00 0.00 0.00 55.97 54.22 1jbj s LYS 69 Cb 0.18 -2.83 -0.04 0.00 -2.06 0.00 0.00 37.83 33.09 1jbj s LYS 69 CO 0.15 -0.41 -0.09 0.54 0.10 0.00 0.00 175.35 175.64 1jbj s ASN 70 N 1.23 1.35 -0.08 0.03 4.22 -1.26 -4.93 114.94 115.50 1jbj s ASN 70 Ca -0.02 -0.90 -0.01 0.00 -2.14 0.00 0.00 52.86 49.80 1jbj s ASN 70 Cb -0.17 0.04 -0.03 0.00 1.28 0.00 0.00 41.25 42.37 1jbj s ASN 70 CO -0.07 -0.35 -0.03 -0.89 -2.04 0.00 0.00 177.10 173.72 1jbj s THR 71 N -2.96 4.02 -0.33 0.54 2.01 -1.26 -5.01 115.64 112.65 1jbj s THR 71 Ca 0.09 -0.36 -0.23 0.00 0.31 0.00 0.00 61.69 61.50 1jbj s THR 71 Cb 0.01 -2.67 0.00 0.00 0.01 0.00 0.00 72.50 69.85 1jbj s THR 71 CO -0.02 0.60 0.74 -0.31 -0.69 0.00 0.00 174.62 174.95 1jbj s TYR 72 N -0.82 3.16 0.15 4.92 2.02 -1.26 -4.46 117.35 121.06 1jbj s TYR 72 Ca 0.12 0.63 0.03 0.00 -0.37 0.00 0.00 57.07 57.49 1jbj s TYR 72 Cb -0.11 -3.24 -0.04 0.00 -0.40 0.00 0.00 41.96 38.17 1jbj s TYR 72 CO 0.02 -0.62 0.21 -0.48 -1.57 0.00 0.00 175.55 173.11 1jbj s LEU 73 N 2.93 4.09 -0.33 -1.29 0.05 0.96 -4.52 118.68 120.57 1jbj s LEU 73 Ca 0.30 0.04 -0.12 0.00 0.05 0.00 0.00 54.13 54.40 1jbj s LEU 73 Cb -0.14 -2.69 -0.01 0.00 -2.05 0.00 0.00 46.19 41.30 1jbj s LEU 73 CO 0.14 0.07 0.22 -0.47 -0.55 0.00 0.00 176.35 175.76 1jbj s TYR 74 N -1.71 3.22 -0.24 3.48 6.14 0.81 0.11 117.35 129.16 1jbj s TYR 74 Ca 0.33 -0.32 -0.02 0.00 0.64 0.00 0.00 57.07 57.70 1jbj s TYR 74 Cb -0.11 -2.44 0.02 0.00 0.42 0.00 0.00 41.96 39.85 1jbj s TYR 74 CO 0.26 -0.39 -0.07 -1.17 0.64 0.00 0.00 175.55 174.82 1jbj s LEU 75 N 1.69 3.06 -0.26 6.97 0.20 -0.40 -2.17 118.68 127.76 1jbj s LEU 75 Ca 0.06 -0.77 -0.01 0.00 0.69 0.00 0.00 54.13 54.10 1jbj s LEU 75 Cb -0.17 -1.67 0.15 0.00 -0.43 0.00 0.00 46.19 44.07 1jbj s LEU 75 CO 0.09 -0.10 0.43 -0.75 -0.29 0.00 0.00 176.35 175.73 1jbj s LYS 76 N 1.35 0.41 0.31 1.98 2.20 -0.48 -3.03 119.74 122.48 1jbj s LYS 76 Ca 0.02 0.52 -0.15 0.00 -0.36 0.00 0.00 55.97 55.99 1jbj s LYS 76 Cb -0.16 -0.25 0.02 0.00 -1.51 0.00 0.00 37.83 35.93 1jbj s LYS 76 CO -0.05 -0.74 0.64 0.00 -0.36 0.00 0.00 175.35 174.84 1jbj s ALA 77 N 2.60 -0.57 0.06 3.13 0.00 -1.26 -3.14 121.76 122.58 1jbj s ALA 77 Ca 0.13 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.38 1jbj s ALA 77 Cb -0.14 0.90 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 1jbj s ALA 77 CO -0.20 -0.94 -0.09 0.50 0.00 0.00 0.00 175.76 175.02 1jbj s ARG 78 N -3.41 0.64 0.08 0.00 3.52 -1.26 -3.19 118.95 115.33 1jbj s ARG 78 Ca 0.18 -0.86 0.01 0.00 -0.13 0.00 0.00 55.73 54.92 1jbj s ARG 78 Cb -0.04 -0.44 -0.04 0.00 -1.56 0.00 0.00 34.95 32.88 1jbj s ARG 78 CO 0.10 0.08 -0.05 0.14 -0.81 0.00 0.00 175.30 174.76 1jbj s VAL 79 N -1.54 0.50 -0.28 7.11 -7.23 -1.26 -5.00 120.40 112.69 1jbj s VAL 79 Ca -0.06 -1.81 -0.23 0.00 -1.81 0.00 0.00 61.98 58.07 1jbj s VAL 79 Cb -0.09 -1.52 0.12 0.00 0.56 0.00 0.00 36.38 35.45 1jbj s VAL 79 CO 0.01 -0.88 0.97 -0.83 -0.31 0.00 0.00 175.10 174.06 1jbj s GLY 80 N -2.86 -0.20 -1.61 2.32 0.00 -1.26 -4.89 107.32 98.81 1jbj s GLY 80 Ca 0.08 2.65 -0.07 0.00 0.00 0.00 0.00 44.72 47.38 1jbj s GLY 80 CO -0.06 1.95 0.28 1.44 0.00 0.00 0.00 173.10 176.71 1jbj n SER 81 N 2.58 -0.28 -3.84 1.64 7.64 -1.26 -1.15 113.62 118.95 1jbj n SER 81 Ca -0.14 -1.20 -0.28 0.00 1.01 0.00 0.00 58.87 58.26 1jbj n SER 81 Cb 0.56 -1.97 0.00 0.00 -1.01 0.00 0.00 64.21 61.80 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 -4.42 -2.78 -0.07 -0.43 0.00 -1.26 -4.52 120.51 107.03 1jbj n ALA 82 Ca -0.19 -0.33 -0.00 0.00 0.00 0.00 0.00 53.44 52.92 1jbj n ALA 82 Cb 0.62 -1.03 -0.00 0.00 0.00 0.00 0.00 19.45 19.04 1jbj n ALA 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jbj n ASP 83 N -2.55 0.62 -4.59 0.00 8.00 -0.30 -4.70 116.55 113.03 1jbj n ASP 83 Ca -0.29 -1.24 -0.43 0.00 0.71 0.00 0.00 54.79 53.54 1jbj n ASP 83 Cb 0.67 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 1jbj n ASP 83 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1jbj n ASP 84 N 2.11 3.18 0.00 -2.24 9.92 -1.26 -4.86 116.55 123.40 1jbj n ASP 84 Ca 0.01 0.18 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 1jbj n ASP 84 Cb 0.07 -1.54 0.00 0.00 -0.64 0.00 0.00 41.12 39.00 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 11.78 0.01 -2.62 2.24 0.00 -1.26 -5.04 120.51 125.62 1jbj n ALA 85 Ca 0.31 -0.04 -0.03 0.00 0.00 0.00 0.00 53.44 53.68 1jbj n ALA 85 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.67 0.17 -2.29 0.00 4.81 -1.26 -5.08 118.16 112.85 1jbj n LYS 86 Ca 0.00 -0.55 -0.34 0.00 -0.87 0.00 0.00 58.31 56.54 1jbj n LYS 86 Cb 0.00 0.01 -0.04 0.00 0.02 0.00 0.00 35.03 35.02 1jbj n LYS 86 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1jbj s LYS 87 N 0.02 3.12 0.00 1.64 2.20 -1.26 -4.86 119.74 120.60 1jbj s LYS 87 Ca 0.03 -1.37 0.00 0.00 -0.36 0.00 0.00 55.97 54.26 1jbj s LYS 87 Cb 0.06 -5.34 0.00 0.00 -1.51 0.00 0.00 37.83 31.04 1jbj s LYS 87 CO -0.01 -3.17 0.00 -3.47 -0.36 0.00 0.00 175.35 168.33 1jbj n ASP 88 N 11.79 0.97 -1.47 1.43 -0.08 -1.26 -5.10 116.55 122.83 1jbj n ASP 88 Ca 0.45 -0.75 0.00 0.00 -1.51 0.00 0.00 54.79 52.98 1jbj n ASP 88 Cb 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 1jbj n ASP 88 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jbj n ALA 89 N -3.00 -1.97 -3.02 -1.67 0.00 -1.26 -5.05 120.51 104.54 1jbj n ALA 89 Ca 0.00 0.41 0.02 0.00 0.00 0.00 0.00 53.44 53.87 1jbj n ALA 89 Cb 0.00 -1.32 -0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 -2.97 -3.39 1.25 0.00 0.00 -1.26 -5.17 121.76 110.23 1jbj s ALA 90 Ca 0.00 0.82 -0.17 0.00 0.00 0.00 0.00 51.96 52.61 1jbj s ALA 90 Cb 0.00 -2.85 0.31 0.00 0.00 0.00 0.00 23.12 20.58 1jbj s ALA 90 CO 0.00 -2.30 1.01 0.15 0.00 0.00 0.00 175.76 174.62 1jbj s LYS 91 N 2.06 -1.58 -0.20 0.00 3.01 -1.26 -5.03 119.74 116.74 1jbj s LYS 91 Ca 0.16 0.45 -0.00 0.00 -1.01 0.00 0.00 55.97 55.57 1jbj s LYS 91 Cb -0.01 -1.51 0.05 0.00 -1.01 0.00 0.00 37.83 35.35 1jbj s LYS 91 CO -0.13 -4.06 -0.05 0.21 0.51 0.00 0.00 175.35 171.82 1jbj s LYS 92 N -4.81 1.53 0.54 1.68 2.47 -1.26 -5.13 119.74 114.75 1jbj s LYS 92 Ca 0.68 -0.74 0.07 0.00 -1.56 0.00 0.00 55.97 54.43 1jbj s LYS 92 Cb -0.19 -2.30 0.05 0.00 -1.46 0.00 0.00 37.83 33.92 1jbj s LYS 92 CO 0.61 -0.51 0.52 -0.51 0.16 0.00 0.00 175.35 175.61 1jbj s ASP 93 N 1.53 4.83 0.13 1.43 1.01 -1.26 -5.08 116.67 119.25 1jbj s ASP 93 Ca -0.02 -1.06 -0.30 0.00 0.71 0.00 0.00 52.55 51.87 1jbj s ASP 93 Cb -0.17 0.26 -0.07 0.00 1.01 0.00 0.00 42.92 43.95 1jbj s ASP 93 CO -0.07 -1.12 1.26 -1.81 0.21 0.00 0.00 175.17 173.63 1jbj s ASP 94 N -4.38 7.00 -0.40 0.27 1.11 -1.26 -4.95 116.67 114.07 1jbj s ASP 94 Ca 0.44 2.20 -0.00 0.00 0.18 0.00 0.00 52.55 55.37 1jbj s ASP 94 Cb -0.03 -2.59 0.24 0.00 1.07 0.00 0.00 42.92 41.60 1jbj s ASP 94 CO 0.27 -0.49 1.05 0.00 1.18 0.00 0.00 175.17 177.19 1jbj n ALA 95 N 3.35 -2.89 -3.75 5.23 0.00 -1.26 -5.12 120.51 116.07 1jbj n ALA 95 Ca 0.08 -0.57 -0.29 0.00 0.00 0.00 0.00 53.44 52.65 1jbj n ALA 95 Cb 0.44 -2.57 -0.15 0.00 0.00 0.00 0.00 19.45 17.17 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 0.56 0.78 0.33 0.00 1.02 -1.26 -4.78 119.74 116.40 1jbj s LYS 96 Ca 0.27 -0.90 0.00 0.00 0.02 0.00 0.00 55.97 55.36 1jbj s LYS 96 Cb 0.16 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 1jbj s LYS 96 CO -0.12 -0.87 0.00 1.17 -0.92 0.00 0.00 175.35 174.61 1jbj n LYS 97 N 4.88 -4.44 -1.79 1.68 4.81 -1.26 -5.06 118.16 116.98 1jbj n LYS 97 Ca -0.05 3.21 -0.04 0.00 -0.87 0.00 0.00 58.31 60.56 1jbj n LYS 97 Cb 0.43 -3.54 0.00 0.00 0.02 0.00 0.00 35.03 31.95 1jbj n LYS 97 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1jbj n ASP 98 N 0.30 1.13 -4.96 3.14 -0.08 -1.26 -5.14 116.55 109.68 1jbj n ASP 98 Ca 0.00 -1.31 -0.23 0.00 -1.51 0.00 0.00 54.79 51.74 1jbj n ASP 98 Cb 0.00 -0.02 -0.02 0.00 2.34 0.00 0.00 41.12 43.42 1jbj n ASP 98 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1jbj s ASP 99 N -1.55 6.31 -0.27 1.67 1.11 -1.26 -4.82 116.67 117.85 1jbj s ASP 99 Ca 0.06 0.10 -0.03 0.00 0.18 0.00 0.00 52.55 52.85 1jbj s ASP 99 Cb -0.00 -1.86 0.01 0.00 1.07 0.00 0.00 42.92 42.13 1jbj s ASP 99 CO 0.04 -0.03 0.07 0.00 1.18 0.00 0.00 175.17 176.43 1jbj n ALA 100 N -1.12 -3.50 0.00 5.23 0.00 -1.26 -4.97 120.51 114.89 1jbj n ALA 100 Ca -0.08 1.00 0.00 0.00 0.00 0.00 0.00 53.44 54.36 1jbj n ALA 100 Cb 0.56 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1jbj n ALA 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jbj n LYS 101 N 1.00 0.00 -0.02 0.00 0.00 -1.26 -4.93 118.16 112.96 1jbj n LYS 101 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 58.31 58.32 1jbj n LYS 101 Cb 0.19 0.00 0.62 0.00 0.00 0.00 0.00 35.03 35.84 1jbj n LYS 101 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1jbj n LYS 102 N -1.12 1.30 -1.15 1.64 4.81 -1.26 -3.66 118.16 118.71 1jbj n LYS 102 Ca 0.00 -0.44 -0.20 0.00 -0.87 0.00 0.00 58.31 56.80 1jbj n LYS 102 Cb 0.00 -1.41 0.18 0.00 0.02 0.00 0.00 35.03 33.81 1jbj n LYS 102 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1jbj n ASP 103 N -0.41 3.72 -3.63 3.14 2.03 -1.26 -4.90 116.55 115.25 1jbj n ASP 103 Ca 0.18 -3.67 -0.25 0.00 0.52 0.00 0.00 54.79 51.58 1jbj n ASP 103 Cb 0.20 -0.79 0.07 0.00 -0.72 0.00 0.00 41.12 39.88 1jbj n ASP 103 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jbj n GLY 104 N -1.12 -0.55 3.75 0.27 0.00 -1.24 -4.94 105.19 101.36 1jbj n GLY 104 Ca 0.53 0.25 -0.37 0.00 0.00 0.00 0.00 46.02 46.44 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 -3.32 5.31 -0.19 1.61 0.01 -1.26 -4.92 113.70 110.94 1jbj s SER 105 Ca 0.60 2.46 -0.29 0.00 1.31 0.00 0.00 55.95 60.02 1jbj s SER 105 Cb -0.27 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.33 1jbj s SER 105 CO 0.74 -1.52 1.57 -1.10 0.41 0.00 0.00 173.24 173.34 1jbj s GLN 106 N -3.17 3.91 -0.36 12.44 -1.52 -1.26 -4.82 119.66 124.88 1jbj s GLN 106 Ca 0.75 1.72 0.03 0.00 -1.95 0.00 0.00 55.36 55.91 1jbj s GLN 106 Cb -0.32 -3.99 0.31 0.00 -0.22 0.00 0.00 33.01 28.79 1jbj s GLN 106 CO 0.36 -1.16 1.31 -2.37 -0.25 0.00 0.00 175.29 173.18 1jbj n THR 107 N 6.15 0.00 0.11 -0.19 5.66 -1.26 -5.03 114.28 119.72 1jbj n THR 107 Ca 0.18 -0.83 0.00 0.00 -3.05 0.00 0.00 64.05 60.35 1jbj n THR 107 Cb 0.45 1.17 0.00 0.00 -1.55 0.00 0.00 70.33 70.39 1jbj n THR 107 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1jbj n ASN 108 N 0.70 -0.07 -4.59 1.09 2.85 -1.26 -5.00 115.26 108.98 1jbj n ASN 108 Ca -0.02 0.39 -0.41 0.00 -0.11 0.00 0.00 54.58 54.43 1jbj n ASN 108 Cb 0.73 0.30 -0.03 0.00 1.24 0.00 0.00 39.78 42.02 1jbj n ASN 108 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1jbj s LYS 109 N -2.00 2.88 -0.34 1.20 2.47 -1.26 -4.82 119.74 117.87 1jbj s LYS 109 Ca 0.00 1.70 -0.07 0.00 -1.56 0.00 0.00 55.97 56.04 1jbj s LYS 109 Cb 0.00 -4.40 0.19 0.00 -1.46 0.00 0.00 37.83 32.17 1jbj s LYS 109 CO 0.00 -2.39 1.01 0.00 0.16 0.00 0.00 175.35 174.13 1jbj s ALA 110 N 9.08 -4.19 0.00 3.13 0.00 -1.26 -5.03 121.76 123.49 1jbj s ALA 110 Ca 0.95 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.89 1jbj s ALA 110 Cb -0.26 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1jbj s ALA 110 CO 0.32 -2.47 0.00 1.63 0.00 0.00 0.00 175.76 175.24 1jbj n LYS 111 N 3.51 0.00 -2.72 0.00 4.01 -1.26 -4.91 118.16 116.79 1jbj n LYS 111 Ca 0.08 0.09 -0.05 0.00 -0.51 0.00 0.00 58.31 57.92 1jbj n LYS 111 Cb 0.63 -0.50 0.04 0.00 -0.51 0.00 0.00 35.03 34.69 1jbj n LYS 111 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1jbj n ASN 112 N -2.08 -2.47 -0.05 4.39 2.85 -1.26 -4.99 115.26 111.65 1jbj n ASN 112 Ca 0.00 -2.48 -0.06 0.00 -0.11 0.00 0.00 54.58 51.93 1jbj n ASN 112 Cb 0.00 1.39 -0.07 0.00 1.24 0.00 0.00 39.78 42.34 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 2.12 1.06 -4.77 1.20 4.77 -1.26 -5.01 117.00 115.11 1jbj n LEU 113 Ca 0.10 -0.02 -0.38 0.00 -0.03 0.00 0.00 56.01 55.68 1jbj n LEU 113 Cb 0.63 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 1jbj n LEU 113 CO -0.04 0.40 0.79 0.54 -1.33 0.00 0.00 177.39 177.76 1jbj s VAL 114 N -2.24 3.41 0.05 4.08 0.11 -1.26 -4.78 120.40 119.77 1jbj s VAL 114 Ca -0.09 1.17 -0.01 0.00 -2.93 0.00 0.00 61.98 60.12 1jbj s VAL 114 Cb 0.03 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 31.20 1jbj s VAL 114 CO 0.35 0.09 -0.03 -1.58 -3.33 0.00 0.00 175.10 170.60 1jbj s GLN 115 N -2.28 0.58 0.03 1.54 0.74 -1.09 -5.05 119.66 114.13 1jbj s GLN 115 Ca 0.56 -1.15 0.01 0.00 0.05 0.00 0.00 55.36 54.83 1jbj s GLN 115 Cb -0.27 0.19 -0.02 0.00 1.10 0.00 0.00 33.01 34.01 1jbj s GLN 115 CO 0.34 -0.10 -0.05 0.14 -0.55 0.00 0.00 175.29 175.07 1jbj s VAL 116 N -3.62 0.31 0.20 1.34 -7.23 -1.26 0.12 120.40 110.26 1jbj s VAL 116 Ca 0.04 -0.90 0.06 0.00 -1.81 0.00 0.00 61.98 59.38 1jbj s VAL 116 Cb 0.06 -0.40 -0.04 0.00 0.56 0.00 0.00 36.38 36.56 1jbj s VAL 116 CO -0.09 -0.39 0.16 -1.81 -0.31 0.00 0.00 175.10 172.66 1jbj s ASP 117 N -1.36 5.49 0.00 4.85 1.11 0.32 -4.91 116.67 122.17 1jbj s ASP 117 Ca -0.12 -0.19 0.00 0.00 0.18 0.00 0.00 52.55 52.42 1jbj s ASP 117 Cb -0.09 -1.41 0.00 0.00 1.07 0.00 0.00 42.92 42.49 1jbj s ASP 117 CO -0.00 0.02 0.00 0.61 1.18 0.00 0.00 175.17 176.98 1jbj n GLY 118 N -0.71 -0.13 3.19 0.21 0.00 -1.24 -1.74 105.19 104.76 1jbj n GLY 118 Ca -0.08 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1jbj n GLY 118 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jbj n SER 119 N -2.06 5.35 -1.43 1.61 7.64 -1.26 -3.25 113.62 120.21 1jbj n SER 119 Ca 0.00 -3.15 0.07 0.00 1.01 0.00 0.00 58.87 56.80 1jbj n SER 119 Cb 0.00 -1.26 0.30 0.00 -1.01 0.00 0.00 64.21 62.24 1jbj n SER 119 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1jbj n ARG 120 N 2.26 3.50 0.00 1.43 5.12 -1.26 -4.91 116.66 122.80 1jbj n ARG 120 Ca 0.24 -2.40 0.00 0.00 -1.93 0.00 0.00 57.85 53.76 1jbj n ARG 120 Cb 0.37 -1.88 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 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 0.86 3.07 0.08 -0.13 0.00 -1.26 -4.72 105.19 103.08 1jbj n GLY 121 Ca 0.22 -0.88 0.03 0.00 0.00 0.00 0.00 46.02 45.38 1jbj n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jbj n ASP 122 N 1.13 0.46 0.00 1.61 9.92 -1.26 -4.98 116.55 123.42 1jbj n ASP 122 Ca 0.00 0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 1jbj n ASP 122 Cb 0.00 0.87 0.00 0.00 -0.64 0.00 0.00 41.12 41.35 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 1.39 1.73 3.86 0.44 0.00 -1.26 -5.04 105.19 106.32 1jbj n GLY 123 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 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 6.73 -0.25 1.61 0.15 -1.20 -1.51 113.70 117.22 1jbj s SER 124 Ca 0.00 0.91 -0.10 0.00 0.70 0.00 0.00 55.95 57.46 1jbj s SER 124 Cb 0.00 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 62.04 1jbj s SER 124 CO 0.00 0.16 0.15 -0.69 1.20 0.00 0.00 173.24 174.06 1jbj s VAL 125 N -1.39 5.07 -0.32 4.45 1.01 -0.65 -3.69 120.40 124.89 1jbj s VAL 125 Ca 0.34 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.44 1jbj s VAL 125 Cb -0.15 -3.38 0.09 0.00 0.00 0.00 0.00 36.38 32.94 1jbj s VAL 125 CO 0.18 0.31 0.01 -0.76 0.00 0.00 0.00 175.10 174.84 1jbj s LEU 126 N 1.42 4.40 -0.26 3.92 1.43 -0.71 -2.06 118.68 126.81 1jbj s LEU 126 Ca 0.07 -1.94 -0.29 0.00 -1.03 0.00 0.00 54.13 50.93 1jbj s LEU 126 Cb -0.15 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.47 1jbj s LEU 126 CO 0.07 -0.33 1.11 -0.22 0.23 0.00 0.00 176.35 177.21 1jbj s LEU 127 N 0.96 4.04 0.02 1.79 0.20 -0.22 0.12 118.68 125.58 1jbj s LEU 127 Ca 0.05 1.30 -0.01 0.00 0.69 0.00 0.00 54.13 56.17 1jbj s LEU 127 Cb -0.19 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 41.99 1jbj s LEU 127 CO -0.07 -0.79 0.14 0.42 -0.29 0.00 0.00 176.35 175.76 1jbj s THR 128 N 3.49 5.06 0.00 3.68 -4.23 0.33 0.22 115.64 124.20 1jbj s THR 128 Ca 0.47 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 1jbj s THR 128 Cb -0.15 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.31 1jbj s THR 128 CO 0.12 0.27 0.00 0.00 -0.54 0.00 0.00 174.62 174.47 1jbj n GLY 130 N 0.00 2.34 2.51 0.00 0.00 -1.26 -4.64 105.19 104.13 1jbj n GLY 130 Ca 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 1jbj n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jbj n LEU 131 N 0.00 -5.62 -1.67 0.99 7.99 -1.26 -3.49 117.00 113.93 1jbj n LEU 131 Ca 0.00 0.13 -0.19 0.00 -0.01 0.00 0.00 56.01 55.94 1jbj n LEU 131 Cb 0.00 -2.61 -0.07 0.00 -0.11 0.00 0.00 43.42 40.63 1jbj n LEU 131 CO 0.00 -1.13 -0.19 0.35 -1.51 0.00 0.00 177.39 174.92 1jbj n THR 132 N -1.04 -0.13 -3.54 -5.08 -2.24 -1.26 -4.95 114.28 96.04 1jbj n THR 132 Ca 0.03 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.47 1jbj n THR 132 Cb 0.42 -1.92 -0.05 0.00 -2.10 0.00 0.00 70.33 66.68 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 -2.51 6.66 0.00 3.42 1.01 -1.23 -4.96 116.67 119.05 1jbj s ASP 133 Ca 0.00 0.83 0.30 0.00 0.71 0.00 0.00 52.55 54.39 1jbj s ASP 133 Cb 0.00 -2.19 1.48 0.00 1.01 0.00 0.00 42.92 43.22 1jbj s ASP 133 CO 0.00 0.13 2.02 2.29 0.21 0.00 0.00 175.17 179.82 1jbj n LYS 134 N 0.74 0.56 -4.25 8.23 2.85 -1.26 -4.70 118.16 120.33 1jbj n LYS 134 Ca -0.06 -0.07 -0.21 0.00 -1.05 0.00 0.00 58.31 56.92 1jbj n LYS 134 Cb 0.52 -1.50 -0.16 0.00 -0.65 0.00 0.00 35.03 33.24 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 -2.49 0.66 -0.04 0.58 2.01 -1.26 -5.04 115.64 110.07 1jbj s THR 135 Ca 0.31 -0.20 -0.03 0.00 0.31 0.00 0.00 61.69 62.08 1jbj s THR 135 Cb 0.20 -0.66 0.02 0.00 0.01 0.00 0.00 72.50 72.07 1jbj s THR 135 CO 0.46 0.25 0.09 -0.63 -0.69 0.00 0.00 174.62 174.10 1jbj s ILE 136 N 0.86 -0.02 0.01 1.82 1.01 -1.26 -2.31 121.20 121.32 1jbj s ILE 136 Ca -0.12 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.60 1jbj s ILE 136 Cb -0.15 -0.15 -0.01 0.00 0.01 0.00 0.00 42.46 42.17 1jbj s ILE 136 CO 0.01 0.03 -0.03 -0.75 0.00 0.00 0.00 174.94 174.19 1jbj s LYS 137 N 0.40 0.25 0.04 2.79 2.20 -0.79 -4.98 119.74 119.66 1jbj s LYS 137 Ca -0.03 -0.30 0.08 0.00 -0.36 0.00 0.00 55.97 55.36 1jbj s LYS 137 Cb -0.04 -0.12 -0.03 0.00 -1.51 0.00 0.00 37.83 36.13 1jbj s LYS 137 CO -0.02 0.02 -0.22 -0.46 -0.36 0.00 0.00 175.35 174.31 1jbj s TRP 138 N -0.57 2.44 0.06 4.03 -0.11 -1.26 0.49 118.94 124.01 1jbj s TRP 138 Ca -0.05 -0.34 0.06 0.00 1.22 0.00 0.00 56.10 57.00 1jbj s TRP 138 Cb -0.04 -1.43 -0.03 0.00 -1.50 0.00 0.00 33.47 30.47 1jbj s TRP 138 CO -0.00 0.18 -0.17 -0.51 -4.62 0.00 0.00 176.95 171.83 1jbj s LEU 139 N -1.31 2.21 -0.16 5.86 1.02 0.22 -2.60 118.68 123.91 1jbj s LEU 139 Ca 0.13 -0.54 0.01 0.00 0.02 0.00 0.00 54.13 53.75 1jbj s LEU 139 Cb -0.10 -0.75 0.03 0.00 0.02 0.00 0.00 46.19 45.38 1jbj s LEU 139 CO 0.03 0.06 -0.14 -0.75 0.02 0.00 0.00 176.35 175.57 1jbj s LYS 140 N -1.37 2.34 -1.45 1.70 2.36 0.44 -1.94 119.74 121.82 1jbj s LYS 140 Ca 0.04 -0.67 -0.02 0.00 -2.55 0.00 0.00 55.97 52.78 1jbj s LYS 140 Cb -0.09 -2.25 0.01 0.00 -1.05 0.00 0.00 37.83 34.45 1jbj s LYS 140 CO 0.02 -0.28 0.14 -0.25 1.55 0.00 0.00 175.35 176.54 1jbj n ASP 141 N 4.73 -5.05 0.00 1.43 8.00 -1.26 -0.34 116.55 124.05 1jbj n ASP 141 Ca -0.17 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.31 1jbj n ASP 141 Cb 0.49 -4.20 0.00 0.00 -0.02 0.00 0.00 41.12 37.39 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 -1.04 0.74 3.10 0.44 0.00 -1.26 -5.04 105.19 102.13 1jbj n GLY 142 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.41 2.41 0.41 1.61 0.15 0.53 -5.10 113.70 111.30 1jbj s SER 143 Ca 0.00 -0.43 -0.27 0.00 0.70 0.00 0.00 55.95 55.96 1jbj s SER 143 Cb 0.00 -1.10 -0.10 0.00 -1.71 0.00 0.00 66.02 63.11 1jbj s SER 143 CO 0.00 0.07 1.47 -0.63 1.20 0.00 0.00 173.24 175.35 1jbj s ILE 144 N 0.66 2.02 -0.21 6.45 1.01 -1.26 0.17 121.20 130.02 1jbj s ILE 144 Ca -0.14 0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.49 1jbj s ILE 144 Cb -0.16 -3.01 0.07 0.00 0.01 0.00 0.00 42.46 39.37 1jbj s ILE 144 CO 0.04 0.00 0.09 -0.51 0.00 0.00 0.00 174.94 174.56 1jbj s ILE 145 N -1.16 0.05 0.47 2.92 2.07 -1.07 -4.77 121.20 119.72 1jbj s ILE 145 Ca 0.57 -0.44 -0.04 0.00 -1.41 0.00 0.00 60.65 59.33 1jbj s ILE 145 Cb -0.46 -0.80 -0.02 0.00 0.13 0.00 0.00 42.46 41.31 1jbj s ILE 145 CO 0.61 -0.42 0.75 -0.55 -1.91 0.00 0.00 174.94 173.42 1jbj s SER 146 N 2.06 6.09 0.55 4.50 0.15 -1.26 -4.69 113.70 121.10 1jbj s SER 146 Ca 0.04 0.71 0.03 0.00 0.70 0.00 0.00 55.95 57.43 1jbj s SER 146 Cb -0.16 -2.01 0.05 0.00 -1.71 0.00 0.00 66.02 62.19 1jbj s SER 146 CO -0.17 -0.63 0.77 -2.16 1.20 0.00 0.00 173.24 172.24 1jbj s PRO 147 N -4.69 2.44 -0.25 5.44 0.04 -1.26 -5.02 135.00 131.70 1jbj s PRO 147 Ca 0.47 -1.03 0.12 0.00 0.04 0.00 0.00 61.00 60.60 1jbj s PRO 147 Cb -0.10 -2.54 0.49 0.00 0.04 0.00 0.00 34.50 32.39 1jbj s PRO 147 CO 0.42 -0.75 1.42 -0.11 0.04 0.00 0.00 177.00 178.02 1jbj n LEU 148 N -2.30 3.86 -1.21 -3.56 -0.00 -1.26 -4.44 117.00 108.09 1jbj n LEU 148 Ca 0.10 -3.53 -0.04 0.00 -0.00 0.00 0.00 56.01 52.55 1jbj n LEU 148 Cb 0.60 -0.59 -0.04 0.00 -0.00 0.00 0.00 43.42 43.39 1jbj n LEU 148 CO 0.43 1.07 0.27 -0.46 -0.00 0.00 0.00 177.39 178.70 1jbj n ASN 149 N -0.99 -0.41 -0.38 1.96 6.94 -1.26 -5.15 115.26 115.97 1jbj n ASN 149 Ca 0.28 -2.01 0.05 0.00 -0.02 0.00 0.00 54.58 52.89 1jbj n ASN 149 Cb 0.95 0.13 -0.01 0.00 -2.36 0.00 0.00 39.78 38.49 1jbj n ASN 149 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1jbj n ALA 150 N 0.09 -0.97 -3.08 -2.53 0.00 -1.26 -4.77 120.51 107.98 1jbj n ALA 150 Ca -0.18 0.12 -0.19 0.00 0.00 0.00 0.00 53.44 53.19 1jbj n ALA 150 Cb 0.83 -0.34 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 1jbj n ALA 150 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jbj n THR 151 N -1.87 0.61 -0.50 0.00 -2.24 -1.26 -4.67 114.28 104.35 1jbj n THR 151 Ca 0.00 -4.67 -0.13 0.00 -2.27 0.00 0.00 64.05 56.99 1jbj n THR 151 Cb 0.17 -0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 67.94 1jbj n THR 151 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1jbj n LYS 152 N 0.13 1.31 -0.75 -0.78 2.85 -1.26 -4.16 118.16 115.50 1jbj n LYS 152 Ca 0.25 -0.95 0.00 0.00 -1.05 0.00 0.00 58.31 56.56 1jbj n LYS 152 Cb 0.62 -2.13 0.00 0.00 -0.65 0.00 0.00 35.03 32.87 1jbj n LYS 152 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1jbj n ASN 153 N 3.89 0.00 -4.74 -5.58 5.15 -1.26 -4.98 115.26 107.75 1jbj n ASN 153 Ca 0.28 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.95 1jbj n ASN 153 Cb 0.19 -0.53 -0.08 0.00 -0.53 0.00 0.00 39.78 38.83 1jbj n ASN 153 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1jbj s THR 154 N -3.20 1.48 -0.03 -0.44 -4.23 -1.26 -2.19 115.64 105.77 1jbj s THR 154 Ca 0.00 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 58.58 1jbj s THR 154 Cb 0.00 -2.42 0.01 0.00 1.34 0.00 0.00 72.50 71.43 1jbj s THR 154 CO 0.00 0.00 -0.05 0.86 -0.54 0.00 0.00 174.62 174.89 1jbj s TRP 155 N -2.81 0.70 -0.50 3.99 -0.00 0.59 -4.66 118.94 116.25 1jbj s TRP 155 Ca 0.17 -0.17 -0.29 0.00 -0.00 0.00 0.00 56.10 55.81 1jbj s TRP 155 Cb 0.04 -0.57 0.03 0.00 -0.00 0.00 0.00 33.47 32.96 1jbj s TRP 155 CO 0.09 -0.12 1.22 1.21 -0.00 0.00 0.00 176.95 179.34 1jbj s ASN 156 N 0.53 6.50 -0.26 5.86 3.84 -1.26 -1.06 114.94 129.08 1jbj s ASN 156 Ca -0.07 0.40 0.01 0.00 0.21 0.00 0.00 52.86 53.41 1jbj s ASN 156 Cb -0.11 -2.55 -0.17 0.00 -0.55 0.00 0.00 41.25 37.88 1jbj s ASN 156 CO 0.00 -1.38 -0.24 0.18 -2.79 0.00 0.00 177.10 172.87 1jbj n LEU 157 N 8.29 2.91 0.00 3.21 4.77 -0.88 -5.01 117.00 130.29 1jbj n LEU 157 Ca 0.12 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1jbj n LEU 157 Cb 0.49 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1jbj n LEU 157 CO 0.72 0.91 0.00 0.61 -1.33 0.00 0.00 177.39 178.30 1jbj n GLY 158 N 2.20 0.77 3.56 -0.72 0.00 -1.25 -3.92 105.19 105.83 1jbj n GLY 158 Ca -0.46 -2.30 -0.44 0.00 0.00 0.00 0.00 46.02 42.82 1jbj n GLY 158 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jbj n ASN 159 N 0.23 2.92 -0.61 1.61 2.85 -1.26 -1.63 115.26 119.36 1jbj n ASN 159 Ca 0.00 0.18 0.48 0.00 -0.11 0.00 0.00 54.58 55.13 1jbj n ASN 159 Cb 0.00 -1.49 0.76 0.00 1.24 0.00 0.00 39.78 40.29 1jbj n ASN 159 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1jbj h ASN 160 N 14.89 0.09 -0.93 1.20 7.08 -1.57 0.68 115.58 137.01 1jbj h ASN 160 Ca -0.36 0.07 0.12 0.00 -3.08 0.00 0.00 56.30 53.04 1jbj h ASN 160 Cb 1.26 0.07 -0.08 0.00 -2.08 0.00 0.00 38.32 37.49 1jbj h ASN 160 CO 0.99 -0.11 0.56 0.00 -2.08 0.00 0.00 177.43 176.79 1jbj h ALA 161 N 1.27 1.39 -0.72 4.14 0.00 -1.85 -3.38 119.26 120.10 1jbj h ALA 161 Ca 0.92 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.80 1jbj h ALA 161 Cb 3.38 -0.16 -0.17 0.00 0.00 0.00 0.00 17.79 20.84 1jbj h ALA 161 CO -0.21 0.14 -0.35 0.21 0.00 0.00 0.00 179.25 179.04 1jbj s LYS 162 N -5.98 0.71 0.17 0.00 2.20 0.23 -4.40 119.74 112.68 1jbj s LYS 162 Ca -0.12 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 54.93 1jbj s LYS 162 Cb 0.21 0.00 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 1jbj s LYS 162 CO 0.80 -0.93 0.00 -0.25 -0.36 0.00 0.00 175.35 174.61 1jbj n ASP 163 N 3.32 -1.49 -4.67 1.43 8.00 -0.97 -4.63 116.55 117.53 1jbj n ASP 163 Ca 0.13 0.34 -0.42 0.00 0.71 0.00 0.00 54.79 55.55 1jbj n ASP 163 Cb 0.59 1.68 -0.03 0.00 -0.02 0.00 0.00 41.12 43.34 1jbj n ASP 163 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1jbj s PRO 164 N -1.37 4.18 -0.31 -0.24 0.04 -1.25 -4.89 135.00 131.16 1jbj s PRO 164 Ca 0.00 2.31 -0.12 0.00 0.04 0.00 0.00 61.00 63.24 1jbj s PRO 164 Cb 0.00 -3.84 0.19 0.00 0.04 0.00 0.00 34.50 30.89 1jbj s PRO 164 CO 0.00 -0.81 1.08 0.50 0.04 0.00 0.00 177.00 177.81 1jbj s ARG 165 N 3.47 0.12 0.00 4.56 3.00 -1.16 -3.27 118.95 125.67 1jbj s ARG 165 Ca 0.76 0.01 0.00 0.00 -1.00 0.00 0.00 55.73 55.50 1jbj s ARG 165 Cb -0.37 0.03 0.00 0.00 0.00 0.00 0.00 34.95 34.60 1jbj s ARG 165 CO 0.32 -0.19 0.00 0.41 0.00 0.00 0.00 175.30 175.85 1jbj n GLY 166 N 4.24 0.27 3.78 8.12 0.00 -1.00 -5.01 105.19 115.60 1jbj n GLY 166 Ca 0.07 -1.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.83 5.24 -0.06 2.61 -4.23 -1.25 -1.45 115.64 114.67 1jbj s THR 167 Ca 0.00 0.62 -0.01 0.00 -1.18 0.00 0.00 61.69 61.12 1jbj s THR 167 Cb 0.00 -3.64 0.03 0.00 1.34 0.00 0.00 72.50 70.23 1jbj s THR 167 CO 0.00 0.48 0.02 -0.31 -0.54 0.00 0.00 174.62 174.27 1jbj s TYR 168 N -0.22 0.45 -0.02 3.99 2.02 -0.12 -4.52 117.35 118.94 1jbj s TYR 168 Ca 0.19 -0.02 -0.04 0.00 -0.37 0.00 0.00 57.07 56.83 1jbj s TYR 168 Cb -0.14 -0.68 -0.04 0.00 -0.40 0.00 0.00 41.96 40.70 1jbj s TYR 168 CO 0.07 -0.27 0.20 1.14 -1.57 0.00 0.00 175.55 175.12 1jbj s GLN 169 N 2.00 3.47 0.28 -0.62 -2.07 -0.82 0.13 119.66 122.02 1jbj s GLN 169 Ca 0.04 -0.24 0.08 0.00 -1.82 0.00 0.00 55.36 53.42 1jbj s GLN 169 Cb -0.12 -3.10 -0.06 0.00 -1.09 0.00 0.00 33.01 28.64 1jbj s GLN 169 CO -0.04 0.68 -0.10 0.00 -1.32 0.00 0.00 175.29 174.51 1jbj s GLN 171 N -3.67 0.16 0.34 0.00 0.74 0.18 -1.40 119.66 116.01 1jbj s GLN 171 Ca 0.29 0.01 0.03 0.00 0.05 0.00 0.00 55.36 55.73 1jbj s GLN 171 Cb 0.02 -1.45 -0.02 0.00 1.10 0.00 0.00 33.01 32.65 1jbj s GLN 171 CO 0.12 -0.55 0.51 0.20 -0.55 0.00 0.00 175.29 175.02 1jbj s GLY 172 N 2.09 1.41 0.07 2.59 0.00 0.33 -1.89 107.32 111.92 1jbj s GLY 172 Ca 0.03 -1.14 -0.11 0.00 0.00 0.00 0.00 44.72 43.50 1jbj s GLY 172 CO -0.07 -1.07 0.59 0.00 0.00 0.00 0.00 173.10 172.55 1jbj n ALA 173 N -1.72 -0.21 -1.04 3.20 0.00 -0.98 -1.92 120.51 117.84 1jbj n ALA 173 Ca -0.04 0.33 0.01 0.00 0.00 0.00 0.00 53.44 53.75 1jbj n ALA 173 Cb 0.57 -0.07 0.02 0.00 0.00 0.00 0.00 19.45 19.97 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 -4.49 0.79 -3.64 0.00 4.81 -1.26 -5.01 118.16 109.36 1jbj n LYS 174 Ca 0.01 -1.09 -0.26 0.00 -0.87 0.00 0.00 58.31 56.11 1jbj n LYS 174 Cb 0.11 -0.73 -0.17 0.00 0.02 0.00 0.00 35.03 34.26 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 -0.56 0.19 -0.16 1.64 2.02 -0.81 -5.13 118.70 115.89 1jbj s GLU 175 Ca 0.04 -0.12 -0.04 0.00 0.02 0.00 0.00 54.97 54.87 1jbj s GLU 175 Cb 0.03 -1.80 -0.03 0.00 0.10 0.00 0.00 34.13 32.44 1jbj s GLU 175 CO 0.00 -0.64 -0.04 0.99 0.02 0.00 0.00 175.26 175.60 1jbj s THR 176 N 2.08 3.89 0.27 3.63 2.01 -1.26 0.12 115.64 126.38 1jbj s THR 176 Ca 0.02 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.67 1jbj s THR 176 Cb -0.16 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 1jbj s THR 176 CO -0.08 0.49 0.45 -0.55 -0.69 0.00 0.00 174.62 174.23 1jbj s SER 177 N 0.40 6.33 0.71 3.53 0.15 -0.50 -4.92 113.70 119.41 1jbj s SER 177 Ca -0.04 0.33 -0.09 0.00 0.70 0.00 0.00 55.95 56.85 1jbj s SER 177 Cb -0.14 -1.98 0.05 0.00 -1.71 0.00 0.00 66.02 62.24 1jbj s SER 177 CO 0.03 -0.16 1.05 0.20 1.20 0.00 0.00 173.24 175.57 1jbj s ASN 178 N -3.75 4.99 -0.32 5.45 -0.87 -1.26 -2.84 114.94 116.33 1jbj s ASN 178 Ca 0.38 0.72 -0.34 0.00 -1.57 0.00 0.00 52.86 52.05 1jbj s ASN 178 Cb -0.10 -1.41 -0.10 0.00 -0.02 0.00 0.00 41.25 39.62 1jbj s ASN 178 CO 0.32 -1.54 2.20 -2.65 -2.57 0.00 0.00 177.10 172.86 1jbj n PRO 179 N -2.98 1.24 -2.62 -0.60 -0.02 -1.26 -4.43 135.00 124.33 1jbj n PRO 179 Ca 0.07 0.34 -0.43 0.00 -2.02 0.00 0.00 63.50 61.46 1jbj n PRO 179 Cb 0.59 -2.61 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 1jbj n PRO 179 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jbj s LEU 180 N 7.53 4.17 -0.91 2.45 2.96 0.34 -4.55 118.68 130.67 1jbj s LEU 180 Ca 1.08 1.51 -0.21 0.00 -0.22 0.00 0.00 54.13 56.29 1jbj s LEU 180 Cb -0.76 -3.55 0.09 0.00 0.50 0.00 0.00 46.19 42.48 1jbj s LEU 180 CO 0.46 -0.61 1.21 -1.58 -1.32 0.00 0.00 176.35 174.51 1jbj s GLN 181 N 2.80 3.51 -0.77 1.98 2.00 -1.26 -0.94 119.66 126.97 1jbj s GLN 181 Ca 0.48 -1.36 -0.20 0.00 -2.00 0.00 0.00 55.36 52.27 1jbj s GLN 181 Cb -0.18 -4.92 0.10 0.00 0.80 0.00 0.00 33.01 28.81 1jbj s GLN 181 CO 0.12 -1.93 1.01 0.08 -0.50 0.00 0.00 175.29 174.07 1jbj s VAL 182 N 3.73 4.55 -0.49 1.34 1.01 -0.53 -0.13 120.40 129.89 1jbj s VAL 182 Ca 0.35 -0.97 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 1jbj s VAL 182 Cb -0.05 -4.71 0.10 0.00 0.00 0.00 0.00 36.38 31.73 1jbj s VAL 182 CO -0.06 -1.45 0.40 -0.47 0.00 0.00 0.00 175.10 173.53 1jbj s TYR 183 N 3.31 3.30 0.43 5.22 5.04 -0.92 -2.37 117.35 131.36 1jbj s TYR 183 Ca 0.26 -1.34 0.07 0.00 -2.44 0.00 0.00 57.07 53.62 1jbj s TYR 183 Cb -0.12 -3.44 -0.02 0.00 0.35 0.00 0.00 41.96 38.73 1jbj s TYR 183 CO 0.01 -0.93 0.36 0.71 -1.34 0.00 0.00 175.55 174.37 1jbj s TYR 184 N 1.54 2.56 0.25 4.97 1.51 -1.20 -1.39 117.35 125.58 1jbj s TYR 184 Ca 0.04 -0.55 -0.31 0.00 -1.01 0.00 0.00 57.07 55.24 1jbj s TYR 184 Cb -0.27 -2.12 -0.13 0.00 -0.11 0.00 0.00 41.96 39.33 1jbj s TYR 184 CO 0.03 -0.14 1.37 2.89 -1.11 0.00 0.00 175.55 178.59 1jbj n ARG 185 N -1.55 1.99 0.00 -0.62 1.85 -1.19 -4.84 116.66 112.31 1jbj n ARG 185 Ca 0.03 0.71 0.03 0.00 -1.00 0.00 0.00 57.85 57.62 1jbj n ARG 185 Cb 0.62 -2.34 0.03 0.00 -1.05 0.00 0.00 32.46 29.72 1jbj n ARG 185 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29