#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbj s ASP 2 N 0.00 4.21 0.12 1.67 1.01 -1.26 -4.91 116.67 117.51 1jbj s ASP 2 Ca 0.00 0.47 -0.31 0.00 0.71 0.00 0.00 52.55 53.42 1jbj s ASP 2 Cb 0.00 -2.53 -0.08 0.00 1.01 0.00 0.00 42.92 41.32 1jbj s ASP 2 CO 0.00 -3.37 1.37 0.00 0.21 0.00 0.00 175.17 173.38 1jbj s ALA 3 N 13.35 3.57 0.15 5.23 0.00 -1.26 -5.02 121.76 137.78 1jbj s ALA 3 Ca 0.93 1.09 -0.01 0.00 0.00 0.00 0.00 51.96 53.97 1jbj s ALA 3 Cb -0.14 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 1jbj s ALA 3 CO 0.16 -0.59 0.08 -2.00 0.00 0.00 0.00 175.76 173.41 1jbj s GLU 4 N 1.00 1.01 -0.39 0.00 2.12 -1.26 -4.99 118.70 116.19 1jbj s GLU 4 Ca 0.63 -1.49 -0.11 0.00 0.36 0.00 0.00 54.97 54.37 1jbj s GLU 4 Cb -0.36 0.25 0.01 0.00 0.26 0.00 0.00 34.13 34.30 1jbj s GLU 4 CO 0.31 -0.30 0.50 -1.71 -0.54 0.00 0.00 175.26 173.51 1jbj n ASN 5 N -0.15 -6.81 -4.99 -1.70 4.05 -1.26 -5.05 115.26 99.35 1jbj n ASN 5 Ca -0.03 0.36 -0.19 0.00 0.45 0.00 0.00 54.58 55.17 1jbj n ASN 5 Cb 0.64 -4.56 0.02 0.00 1.23 0.00 0.00 39.78 37.12 1jbj n ASN 5 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1jbj s ILE 6 N -2.41 2.66 0.41 -1.44 -1.09 -1.26 -5.14 121.20 112.93 1jbj s ILE 6 Ca 0.17 -1.07 0.08 0.00 -2.23 0.00 0.00 60.65 57.60 1jbj s ILE 6 Cb -0.05 -2.73 -0.03 0.00 -1.58 0.00 0.00 42.46 38.07 1jbj s ILE 6 CO 0.62 0.00 0.32 -1.83 -1.23 0.00 0.00 174.94 172.82 1jbj s GLU 7 N -4.40 2.47 0.24 2.79 1.03 -1.26 -4.96 118.70 114.62 1jbj s GLU 7 Ca 0.55 -1.58 -0.31 0.00 0.03 0.00 0.00 54.97 53.66 1jbj s GLU 7 Cb -0.08 -2.29 -0.14 0.00 -0.80 0.00 0.00 34.13 30.83 1jbj s GLU 7 CO 0.33 -0.14 1.30 0.66 -1.33 0.00 0.00 175.26 176.09 1jbj n TYR 8 N -1.45 1.92 -3.85 4.83 4.02 -1.26 -4.94 117.16 116.43 1jbj n TYR 8 Ca 0.02 0.52 -0.36 0.00 -0.01 0.00 0.00 57.90 58.07 1jbj n TYR 8 Cb 0.62 -2.40 -0.13 0.00 -0.02 0.00 0.00 39.34 37.41 1jbj n TYR 8 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1jbj s LYS 9 N -0.71 3.24 0.01 -0.72 2.20 -1.04 -4.89 119.74 117.83 1jbj s LYS 9 Ca 0.66 -0.73 0.04 0.00 -0.36 0.00 0.00 55.97 55.59 1jbj s LYS 9 Cb -0.68 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 32.44 1jbj s LYS 9 CO 0.53 -0.30 -0.11 0.08 -0.36 0.00 0.00 175.35 175.19 1jbj s VAL 10 N 1.48 3.33 -0.23 4.02 1.01 -1.25 0.89 120.40 129.65 1jbj s VAL 10 Ca 0.04 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 1jbj s VAL 10 Cb -0.16 -2.43 0.12 0.00 0.00 0.00 0.00 36.38 33.91 1jbj s VAL 10 CO -0.01 0.39 0.44 -0.55 0.00 0.00 0.00 175.10 175.38 1jbj s SER 11 N -1.37 -0.29 -0.19 3.32 0.15 -0.25 -4.94 113.70 110.13 1jbj s SER 11 Ca 0.16 0.82 -0.26 0.00 0.70 0.00 0.00 55.95 57.37 1jbj s SER 11 Cb -0.11 1.44 -0.01 0.00 -1.71 0.00 0.00 66.02 65.64 1jbj s SER 11 CO 0.06 -0.25 0.88 -0.63 1.20 0.00 0.00 173.24 174.50 1jbj s ILE 12 N 2.64 4.83 -0.25 6.45 1.01 -1.26 -0.82 121.20 133.80 1jbj s ILE 12 Ca 0.04 1.72 0.02 0.00 0.00 0.00 0.00 60.65 62.43 1jbj s ILE 12 Cb -0.13 -4.18 0.07 0.00 0.01 0.00 0.00 42.46 38.23 1jbj s ILE 12 CO -0.15 -0.03 -0.05 -0.44 0.00 0.00 0.00 174.94 174.27 1jbj s SER 13 N 1.19 4.10 -1.01 3.58 0.01 0.60 -4.87 113.70 117.31 1jbj s SER 13 Ca 0.40 -1.35 -0.15 0.00 1.31 0.00 0.00 55.95 56.16 1jbj s SER 13 Cb -0.16 -1.30 0.01 0.00 0.21 0.00 0.00 66.02 64.77 1jbj s SER 13 CO 0.11 -0.25 0.69 0.61 0.41 0.00 0.00 173.24 174.82 1jbj n GLY 14 N 4.58 -1.09 3.20 3.44 0.00 -1.26 -0.26 105.19 113.79 1jbj n GLY 14 Ca -0.11 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -3.60 0.00 -4.06 2.61 -1.04 -1.26 -4.85 114.28 102.08 1jbj n THR 15 Ca -0.16 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.51 1jbj n THR 15 Cb 0.61 -0.51 -0.15 0.00 -1.82 0.00 0.00 70.33 68.46 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 -2.16 3.59 0.20 8.00 0.01 0.64 0.13 113.70 124.10 1jbj s SER 16 Ca 0.00 -0.55 -0.16 0.00 1.31 0.00 0.00 55.95 56.56 1jbj s SER 16 Cb 0.00 -1.58 -0.08 0.00 0.21 0.00 0.00 66.02 64.57 1jbj s SER 16 CO 0.00 -0.00 0.63 -0.69 0.41 0.00 0.00 173.24 173.58 1jbj s VAL 17 N 1.34 4.75 -0.25 3.43 1.01 0.32 0.22 120.40 131.22 1jbj s VAL 17 Ca 0.05 0.95 -0.02 0.00 0.00 0.00 0.00 61.98 62.96 1jbj s VAL 17 Cb -0.14 -3.75 0.08 0.00 0.00 0.00 0.00 36.38 32.57 1jbj s VAL 17 CO -0.09 0.14 0.05 -0.70 0.00 0.00 0.00 175.10 174.51 1jbj s GLU 18 N -2.18 0.79 0.08 2.72 2.12 0.00 0.21 118.70 122.44 1jbj s GLU 18 Ca 0.42 -0.74 -0.06 0.00 0.36 0.00 0.00 54.97 54.95 1jbj s GLU 18 Cb -0.15 -2.10 -0.05 0.00 0.26 0.00 0.00 34.13 32.09 1jbj s GLU 18 CO 0.20 -0.78 0.33 -0.51 -0.54 0.00 0.00 175.26 173.96 1jbj s LEU 19 N 1.71 4.32 -0.26 2.70 1.43 0.18 -1.09 118.68 127.68 1jbj s LEU 19 Ca 0.03 0.59 0.03 0.00 -1.03 0.00 0.00 54.13 53.74 1jbj s LEU 19 Cb -0.17 -3.01 0.06 0.00 0.03 0.00 0.00 46.19 43.10 1jbj s LEU 19 CO -0.15 0.15 -0.10 -0.89 0.23 0.00 0.00 176.35 175.59 1jbj s THR 20 N -1.48 2.16 0.55 5.49 2.01 0.26 -0.43 115.64 124.20 1jbj s THR 20 Ca 0.35 -1.67 -0.15 0.00 0.31 0.00 0.00 61.69 60.52 1jbj s THR 20 Cb -0.13 -2.29 -0.06 0.00 0.01 0.00 0.00 72.50 70.03 1jbj s THR 20 CO 0.21 -0.07 1.01 0.00 -0.69 0.00 0.00 174.62 175.09 1jbj n PRO 22 N -1.89 1.14 -4.28 0.00 -0.04 -1.26 -4.73 135.00 123.94 1jbj n PRO 22 Ca 0.07 -0.14 -0.28 0.00 -0.04 0.00 0.00 63.50 63.11 1jbj n PRO 22 Cb 0.54 -1.35 -0.17 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.44 1.62 1.06 1.53 1.43 -1.26 -5.12 118.68 117.50 1jbj s LEU 23 Ca 0.02 -0.41 -0.19 0.00 -1.03 0.00 0.00 54.13 52.52 1jbj s LEU 23 Cb 0.02 -1.05 0.06 0.00 0.03 0.00 0.00 46.19 45.25 1jbj s LEU 23 CO 0.01 -0.02 -0.24 0.47 0.23 0.00 0.00 176.35 176.80 1jbj n ASP 24 N 4.41 -2.65 -4.35 2.29 8.00 -1.26 -4.49 116.55 118.50 1jbj n ASP 24 Ca -0.18 -0.17 -0.46 0.00 0.71 0.00 0.00 54.79 54.69 1jbj n ASP 24 Cb 0.51 -0.80 -0.03 0.00 -0.02 0.00 0.00 41.12 40.77 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 -1.68 6.53 0.52 -2.24 1.04 -1.26 -4.56 113.70 112.05 1jbj s SER 25 Ca 0.46 -2.20 -0.01 0.00 0.48 0.00 0.00 55.95 54.68 1jbj s SER 25 Cb -0.05 -2.25 0.02 0.00 0.10 0.00 0.00 66.02 63.83 1jbj s SER 25 CO 0.57 -0.80 0.76 -1.81 0.98 0.00 0.00 173.24 172.94 1jbj s ASP 26 N 2.92 5.53 0.00 7.02 1.01 -1.26 -4.91 116.67 126.98 1jbj s ASP 26 Ca 0.16 0.24 0.00 0.00 0.71 0.00 0.00 52.55 53.66 1jbj s ASP 26 Cb -0.16 -1.28 0.00 0.00 1.01 0.00 0.00 42.92 42.49 1jbj s ASP 26 CO -0.04 -0.97 0.92 -0.62 0.21 0.00 0.00 175.17 174.67 1jbj n GLU 27 N -2.30 0.82 -0.51 8.23 -0.58 -1.26 -2.34 120.64 122.71 1jbj n GLU 27 Ca 0.05 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.77 1jbj n GLU 27 Cb 0.59 -1.09 -0.01 0.00 -0.57 0.00 0.00 31.44 30.36 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 0.70 -0.17 -4.76 1.62 3.02 -1.26 -5.09 115.26 109.33 1jbj n ASN 28 Ca 0.00 -0.98 -0.40 0.00 -0.03 0.00 0.00 54.58 53.17 1jbj n ASN 28 Cb 0.41 0.05 -0.05 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 4.52 0.18 3.41 2.96 -0.99 -4.29 118.68 124.47 1jbj s LEU 29 Ca 0.00 1.56 0.01 0.00 -0.22 0.00 0.00 54.13 55.48 1jbj s LEU 29 Cb 0.00 -3.28 -0.05 0.00 0.50 0.00 0.00 46.19 43.36 1jbj s LEU 29 CO 0.00 0.10 0.03 -0.54 -1.32 0.00 0.00 176.35 174.62 1jbj s LYS 30 N -0.56 1.11 0.35 1.98 3.01 -1.04 -2.66 119.74 121.95 1jbj s LYS 30 Ca 0.38 -1.55 0.06 0.00 -1.01 0.00 0.00 55.97 53.85 1jbj s LYS 30 Cb -0.22 -0.14 -0.07 0.00 -1.01 0.00 0.00 37.83 36.39 1jbj s LYS 30 CO 0.25 -0.19 0.01 -1.58 0.51 0.00 0.00 175.35 174.35 1jbj s TRP 31 N -3.77 2.23 -0.25 3.18 0.52 -1.12 -2.39 118.94 117.34 1jbj s TRP 31 Ca 0.26 -0.77 -0.12 0.00 0.02 0.00 0.00 56.10 55.50 1jbj s TRP 31 Cb 0.07 -1.47 0.09 0.00 -1.15 0.00 0.00 33.47 31.00 1jbj s TRP 31 CO 0.05 0.28 0.58 -2.00 0.02 0.00 0.00 176.95 175.88 1jbj s GLU 32 N -3.77 0.55 0.16 4.98 2.12 -0.69 0.25 118.70 122.30 1jbj s GLU 32 Ca 0.35 1.17 0.10 0.00 0.36 0.00 0.00 54.97 56.95 1jbj s GLU 32 Cb 0.08 0.33 -0.04 0.00 0.26 0.00 0.00 34.13 34.75 1jbj s GLU 32 CO 0.16 -0.18 -0.20 -1.59 -0.54 0.00 0.00 175.26 172.91 1jbj s LYS 33 N 2.06 1.68 0.58 4.30 -2.85 -0.04 -1.12 119.74 124.35 1jbj s LYS 33 Ca -0.08 -1.34 0.00 0.00 -1.00 0.00 0.00 55.97 53.55 1jbj s LYS 33 Cb -0.09 -2.00 0.00 0.00 -2.06 0.00 0.00 37.83 33.69 1jbj s LYS 33 CO -0.17 0.44 0.00 0.09 0.10 0.00 0.00 175.35 175.81 1jbj n ASN 34 N 0.50 0.00 -0.75 0.03 4.13 -0.60 -0.03 115.26 118.55 1jbj n ASN 34 Ca -0.14 0.00 0.01 0.00 1.68 0.00 0.00 54.58 56.12 1jbj n ASN 34 Cb 0.54 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.78 1jbj n ASN 34 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jbj n GLY 35 N 0.00 0.68 3.18 7.41 0.00 -1.26 -4.85 105.19 110.34 1jbj n GLY 35 Ca 0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 1jbj n GLY 35 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1jbj s GLN 36 N 0.00 0.84 -0.15 1.61 0.00 0.96 -5.15 119.66 117.77 1jbj s GLN 36 Ca 0.08 -1.04 -0.08 0.00 -0.00 0.00 0.00 55.36 54.32 1jbj s GLN 36 Cb 0.09 -0.72 -0.04 0.00 0.00 0.00 0.00 33.01 32.33 1jbj s GLN 36 CO -0.04 0.15 0.14 -1.21 0.00 0.00 0.00 175.29 174.33 1jbj s GLU 37 N -2.14 3.78 -0.46 9.60 2.02 -1.26 -0.86 118.70 129.37 1jbj s GLU 37 Ca 0.01 -0.16 -0.13 0.00 0.02 0.00 0.00 54.97 54.71 1jbj s GLU 37 Cb -0.07 -3.29 0.09 0.00 0.10 0.00 0.00 34.13 30.95 1jbj s GLU 37 CO 0.02 0.56 0.36 -0.51 0.02 0.00 0.00 175.26 175.71 1jbj s LEU 38 N -0.41 5.56 0.87 1.80 1.43 0.14 -4.95 118.68 123.12 1jbj s LEU 38 Ca 0.12 -1.51 -0.13 0.00 -1.03 0.00 0.00 54.13 51.58 1jbj s LEU 38 Cb -0.12 -2.11 0.12 0.00 0.03 0.00 0.00 46.19 44.12 1jbj s LEU 38 CO 0.01 -0.65 1.19 -2.16 0.23 0.00 0.00 176.35 174.97 1jbj s PRO 39 N 1.54 1.46 -1.65 1.29 0.04 -1.26 -2.79 135.00 133.62 1jbj s PRO 39 Ca 0.04 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.16 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 0.04 -1.94 0.00 1.04 0.04 0.00 0.00 177.00 176.18 1jbj n GLN 40 N -3.55 -1.27 -3.11 4.56 3.00 -1.26 -4.92 117.38 110.83 1jbj n GLN 40 Ca 0.09 0.97 -0.34 0.00 -0.01 0.00 0.00 57.00 57.71 1jbj n GLN 40 Cb 0.60 -5.30 -0.03 0.00 0.00 0.00 0.00 30.24 25.51 1jbj n GLN 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1jbj n LYS 41 N -2.57 3.66 -1.00 -1.09 4.01 -1.26 -4.88 118.16 115.03 1jbj n LYS 41 Ca -0.19 -4.67 -0.17 0.00 -0.51 0.00 0.00 58.31 52.77 1jbj n LYS 41 Cb 0.60 -2.36 0.00 0.00 -0.51 0.00 0.00 35.03 32.76 1jbj n LYS 41 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1jbj n HIS 42 N 0.69 1.35 -4.59 2.13 8.25 -1.09 -3.34 115.22 118.62 1jbj n HIS 42 Ca 0.31 -1.86 -0.26 0.00 -0.26 0.00 0.00 57.72 55.65 1jbj n HIS 42 Cb 0.36 -1.05 -0.14 0.00 1.12 0.00 0.00 29.99 30.28 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 0.45 2.61 0.13 0.41 -1.08 -1.26 -4.43 116.67 113.50 1jbj s ASP 43 Ca 0.37 -0.57 -0.07 0.00 -0.52 0.00 0.00 52.55 51.75 1jbj s ASP 43 Cb 0.26 -0.20 -0.08 0.00 -1.46 0.00 0.00 42.92 41.44 1jbj s ASP 43 CO -0.05 0.15 1.34 0.50 0.52 0.00 0.00 175.17 177.63 1jbj h LYS 44 N 4.66 0.58 -4.61 4.34 3.64 -1.80 -3.42 116.57 119.95 1jbj h LYS 44 Ca -0.44 -0.51 -0.70 0.00 -1.27 0.00 0.00 60.65 57.72 1jbj h LYS 44 Cb 1.16 0.12 -0.26 0.00 -0.41 0.00 0.00 32.23 32.84 1jbj h LYS 44 CO 0.43 1.14 -0.54 -3.38 -2.27 0.00 0.00 179.45 174.82 1jbj s HIS 45 N -3.56 3.25 -0.02 1.91 -3.43 -1.26 -0.99 115.29 111.19 1jbj s HIS 45 Ca -0.08 -1.15 -0.25 0.00 -0.80 0.00 0.00 55.06 52.78 1jbj s HIS 45 Cb 0.09 -2.40 -0.04 0.00 -1.43 0.00 0.00 32.58 28.80 1jbj s HIS 45 CO 0.88 -0.69 0.76 -1.17 -2.00 0.00 0.00 174.74 172.52 1jbj s LEU 46 N 1.50 4.36 0.02 5.38 2.96 0.43 -4.82 118.68 128.50 1jbj s LEU 46 Ca 0.01 1.34 0.01 0.00 -0.22 0.00 0.00 54.13 55.26 1jbj s LEU 46 Cb -0.19 -3.20 -0.04 0.00 0.50 0.00 0.00 46.19 43.26 1jbj s LEU 46 CO 0.05 -0.10 0.06 -0.69 -1.32 0.00 0.00 176.35 174.36 1jbj s VAL 47 N 0.57 4.57 -0.43 1.68 1.01 -1.26 0.49 120.40 127.03 1jbj s VAL 47 Ca 0.40 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.88 1jbj s VAL 47 Cb -0.19 -3.11 0.12 0.00 0.00 0.00 0.00 36.38 33.20 1jbj s VAL 47 CO 0.21 0.30 0.18 -0.76 0.00 0.00 0.00 175.10 175.04 1jbj s LEU 48 N -1.85 3.73 -0.27 3.92 1.43 0.57 -4.93 118.68 121.28 1jbj s LEU 48 Ca 0.24 -2.54 -0.29 0.00 -1.03 0.00 0.00 54.13 50.51 1jbj s LEU 48 Cb -0.12 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.73 1jbj s LEU 48 CO 0.15 -0.30 1.13 -1.10 0.23 0.00 0.00 176.35 176.46 1jbj s GLN 49 N 0.40 4.12 -0.28 1.70 -0.21 -1.26 0.12 119.66 124.24 1jbj s GLN 49 Ca 0.15 1.26 -0.00 0.00 0.02 0.00 0.00 55.36 56.79 1jbj s GLN 49 Cb -0.23 -3.74 0.00 0.00 1.00 0.00 0.00 33.01 30.04 1jbj s GLN 49 CO -0.05 -0.83 0.27 -3.47 -2.12 0.00 0.00 175.29 169.09 1jbj n ASP 50 N 6.80 -4.28 -4.73 5.90 2.03 0.35 -4.95 116.55 117.67 1jbj n ASP 50 Ca 0.13 -0.02 -0.42 0.00 0.52 0.00 0.00 54.79 55.00 1jbj n ASP 50 Cb 0.46 -2.69 -0.03 0.00 -0.72 0.00 0.00 41.12 38.14 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 -2.94 3.26 -0.36 -0.67 5.36 -1.17 -5.01 117.98 116.45 1jbj s PHE 51 Ca 0.00 1.15 0.00 0.00 -0.96 0.00 0.00 56.93 57.13 1jbj s PHE 51 Cb -0.00 -3.62 0.12 0.00 -0.34 0.00 0.00 43.02 39.18 1jbj s PHE 51 CO 0.29 -1.99 0.17 -1.12 -1.46 0.00 0.00 175.22 171.11 1jbj s SER 52 N 0.57 3.66 0.18 6.13 0.01 -1.26 -4.25 113.70 118.75 1jbj s SER 52 Ca 0.59 -2.04 -0.13 0.00 1.31 0.00 0.00 55.95 55.68 1jbj s SER 52 Cb -0.36 -0.79 0.15 0.00 0.21 0.00 0.00 66.02 65.22 1jbj s SER 52 CO 0.36 -0.35 1.77 1.05 0.41 0.00 0.00 173.24 176.48 1jbj h GLU 53 N 7.46 0.43 -0.51 12.44 4.11 -1.94 0.87 114.58 137.44 1jbj h GLU 53 Ca -0.06 -0.03 0.12 0.00 0.07 0.00 0.00 59.36 59.46 1jbj h GLU 53 Cb 0.98 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 1jbj h GLU 53 CO 0.43 0.29 0.36 0.28 0.07 0.00 0.00 179.01 180.43 1jbj h VAL 54 N 0.45 0.83 0.00 -1.06 2.07 -1.94 -0.66 116.25 115.93 1jbj h VAL 54 Ca 0.23 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 1jbj h VAL 54 Cb 0.17 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1jbj h VAL 54 CO -0.18 0.03 -1.61 -0.62 0.02 0.00 0.00 177.57 175.21 1jbj n GLU 55 N -4.44 0.64 0.00 1.57 1.02 -0.33 -4.85 120.64 114.24 1jbj n GLU 55 Ca 0.09 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1jbj n GLU 55 Cb 0.46 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 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 -2.49 0.00 -3.10 1.62 8.00 0.29 -5.05 116.55 115.81 1jbj n ASP 56 Ca -0.04 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.36 1jbj n ASP 56 Cb 0.61 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.72 1jbj n ASP 56 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1jbj n SER 57 N -0.11 -6.87 0.00 -2.24 2.88 -0.39 -4.98 113.62 101.91 1jbj n SER 57 Ca 0.00 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 1jbj n SER 57 Cb 0.00 -2.98 0.00 0.00 -0.75 0.00 0.00 64.21 60.48 1jbj n SER 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jbj n GLY 58 N 0.64 2.10 3.70 0.46 0.00 -1.16 -5.02 105.19 105.92 1jbj n GLY 58 Ca -0.00 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.95 2.61 0.03 1.61 1.51 -1.26 -0.92 117.35 118.97 1jbj s TYR 59 Ca 0.00 -0.52 -0.05 0.00 -1.01 0.00 0.00 57.07 55.50 1jbj s TYR 59 Cb 0.00 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 40.06 1jbj s TYR 59 CO 0.00 0.30 0.07 0.71 -1.11 0.00 0.00 175.55 175.52 1jbj s TYR 60 N -2.55 0.21 0.19 2.71 1.51 0.24 -1.56 117.35 118.09 1jbj s TYR 60 Ca 0.39 -0.50 -0.13 0.00 -1.01 0.00 0.00 57.07 55.82 1jbj s TYR 60 Cb 0.02 -0.15 0.01 0.00 -0.11 0.00 0.00 41.96 41.72 1jbj s TYR 60 CO 0.22 -0.33 0.41 0.54 -1.11 0.00 0.00 175.55 175.27 1jbj s VAL 61 N -2.36 0.04 -0.02 0.71 0.11 -0.27 -2.23 120.40 116.37 1jbj s VAL 61 Ca -0.07 -1.14 -0.03 0.00 -2.93 0.00 0.00 61.98 57.81 1jbj s VAL 61 Cb -0.03 -1.78 0.00 0.00 -1.53 0.00 0.00 36.38 33.05 1jbj s VAL 61 CO -0.04 -0.19 0.07 0.00 -3.33 0.00 0.00 175.10 171.62 1jbj s TYR 63 N -0.23 -0.20 0.06 0.00 1.13 -1.01 -4.58 117.35 112.52 1jbj s TYR 63 Ca -0.03 0.40 0.06 0.00 -1.41 0.00 0.00 57.07 56.09 1jbj s TYR 63 Cb -0.02 0.08 -0.03 0.00 -1.10 0.00 0.00 41.96 40.89 1jbj s TYR 63 CO 0.00 -0.29 -0.16 0.95 -2.51 0.00 0.00 175.55 173.54 1jbj s THR 64 N -0.80 1.30 0.22 -3.49 -4.23 -0.87 -2.48 115.64 105.29 1jbj s THR 64 Ca -0.09 -1.21 -0.08 0.00 -1.18 0.00 0.00 61.69 59.14 1jbj s THR 64 Cb -0.04 -1.19 0.16 0.00 1.34 0.00 0.00 72.50 72.77 1jbj s THR 64 CO 0.02 -0.04 1.76 -0.65 -0.54 0.00 0.00 174.62 175.18 1jbj h PRO 65 N 4.60 0.50 0.00 3.99 0.11 -2.01 -0.79 132.00 138.40 1jbj h PRO 65 Ca -0.41 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 1jbj h PRO 65 Cb 1.18 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1jbj h PRO 65 CO 0.42 0.33 -0.24 0.00 -0.21 0.00 0.00 178.00 178.30 1jbj h ALA 66 N 1.43 0.93 -3.44 -0.75 0.00 -1.96 -3.40 119.26 112.06 1jbj h ALA 66 Ca 0.33 -0.22 -0.62 0.00 0.00 0.00 0.00 54.91 54.40 1jbj h ALA 66 Cb 0.38 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 17.73 1jbj h ALA 66 CO -0.29 0.30 -0.74 -1.12 0.00 0.00 0.00 179.25 177.41 1jbj s SER 67 N -6.22 4.36 -1.10 0.00 0.01 -0.30 -5.01 113.70 105.44 1jbj s SER 67 Ca 0.02 -1.84 -0.07 0.00 1.31 0.00 0.00 55.95 55.37 1jbj s SER 67 Cb 0.09 -1.25 -0.03 0.00 0.21 0.00 0.00 66.02 65.04 1jbj s SER 67 CO 0.66 -0.38 2.87 -3.20 0.41 0.00 0.00 173.24 173.59 1jbj n ASN 68 N 4.56 7.64 -4.70 2.44 4.05 -1.21 -2.05 115.26 125.98 1jbj n ASN 68 Ca -0.00 -2.83 -0.35 0.00 0.45 0.00 0.00 54.58 51.85 1jbj n ASN 68 Cb 0.42 -1.43 -0.09 0.00 1.23 0.00 0.00 39.78 39.92 1jbj n ASN 68 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1jbj s LYS 69 N 0.36 3.49 -0.08 1.20 2.20 -1.26 -5.05 119.74 120.60 1jbj s LYS 69 Ca 0.63 -0.33 0.04 0.00 -0.36 0.00 0.00 55.97 55.95 1jbj s LYS 69 Cb 0.23 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.51 1jbj s LYS 69 CO -0.08 0.54 -0.19 0.54 -0.36 0.00 0.00 175.35 175.79 1jbj s ASN 70 N -0.39 2.57 -0.15 1.43 2.20 -1.26 -4.44 114.94 114.90 1jbj s ASN 70 Ca 0.09 -0.45 -0.02 0.00 -0.94 0.00 0.00 52.86 51.54 1jbj s ASN 70 Cb -0.12 -1.13 0.05 0.00 -2.00 0.00 0.00 41.25 38.05 1jbj s ASN 70 CO 0.02 0.12 0.01 -0.89 -2.94 0.00 0.00 177.10 173.42 1jbj s THR 71 N 0.41 0.56 -0.46 0.54 2.01 -1.26 -5.08 115.64 112.36 1jbj s THR 71 Ca -0.16 -0.33 -0.24 0.00 0.31 0.00 0.00 61.69 61.28 1jbj s THR 71 Cb -0.17 -0.89 0.03 0.00 0.01 0.00 0.00 72.50 71.48 1jbj s THR 71 CO 0.06 0.01 0.82 -0.31 -0.69 0.00 0.00 174.62 174.52 1jbj s TYR 72 N 1.87 2.97 -0.09 4.92 2.02 -1.26 -4.32 117.35 123.45 1jbj s TYR 72 Ca 0.01 0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.90 1jbj s TYR 72 Cb -0.15 -3.75 -0.03 0.00 -0.40 0.00 0.00 41.96 37.63 1jbj s TYR 72 CO -0.07 -1.03 -0.09 -1.17 -1.57 0.00 0.00 175.55 171.61 1jbj s LEU 73 N 3.42 3.01 -0.54 -1.29 0.20 -0.95 -4.04 118.68 118.49 1jbj s LEU 73 Ca 0.31 -0.13 -0.17 0.00 0.69 0.00 0.00 54.13 54.82 1jbj s LEU 73 Cb -0.12 -1.66 0.10 0.00 -0.43 0.00 0.00 46.19 44.08 1jbj s LEU 73 CO 0.23 0.29 0.57 -0.47 -0.29 0.00 0.00 176.35 176.68 1jbj s TYR 74 N -0.38 3.13 -0.33 5.38 6.14 0.23 -0.59 117.35 130.94 1jbj s TYR 74 Ca 0.05 -1.02 -0.13 0.00 0.64 0.00 0.00 57.07 56.61 1jbj s TYR 74 Cb -0.12 -3.74 -0.02 0.00 0.42 0.00 0.00 41.96 38.49 1jbj s TYR 74 CO 0.02 -1.08 0.26 -1.17 0.64 0.00 0.00 175.55 174.22 1jbj s LEU 75 N 2.12 4.43 -0.25 6.97 0.20 -0.10 -1.23 118.68 130.82 1jbj s LEU 75 Ca 0.08 -0.32 -0.02 0.00 0.69 0.00 0.00 54.13 54.56 1jbj s LEU 75 Cb -0.26 -2.17 0.13 0.00 -0.43 0.00 0.00 46.19 43.46 1jbj s LEU 75 CO 0.06 -0.23 0.33 -0.75 -0.29 0.00 0.00 176.35 175.48 1jbj s LYS 76 N 1.78 0.32 0.36 1.98 2.20 -0.93 -2.97 119.74 122.49 1jbj s LYS 76 Ca 0.07 0.25 -0.13 0.00 -0.36 0.00 0.00 55.97 55.80 1jbj s LYS 76 Cb -0.17 -0.63 0.04 0.00 -1.51 0.00 0.00 37.83 35.55 1jbj s LYS 76 CO 0.11 -0.80 0.71 0.00 -0.36 0.00 0.00 175.35 175.01 1jbj s ALA 77 N 2.46 -0.47 0.08 3.13 0.00 -1.26 -3.57 121.76 122.14 1jbj s ALA 77 Ca 0.10 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.22 1jbj s ALA 77 Cb -0.15 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 1jbj s ALA 77 CO -0.21 -0.95 -0.08 0.50 0.00 0.00 0.00 175.76 175.01 1jbj s ARG 78 N -2.67 0.75 0.44 0.00 3.52 -1.12 -3.78 118.95 116.10 1jbj s ARG 78 Ca 0.18 -1.10 0.03 0.00 -0.13 0.00 0.00 55.73 54.71 1jbj s ARG 78 Cb -0.04 -0.36 -0.02 0.00 -1.56 0.00 0.00 34.95 32.96 1jbj s ARG 78 CO 0.13 0.04 0.07 0.14 -0.81 0.00 0.00 175.30 174.87 1jbj s VAL 79 N -2.51 0.91 0.00 7.11 -7.23 -1.26 -4.79 120.40 112.62 1jbj s VAL 79 Ca 0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 1jbj s VAL 79 Cb -0.02 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.59 1jbj s VAL 79 CO -0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1jbj n GLY 80 N -1.04 -3.09 2.68 2.32 0.00 -1.26 -4.96 105.19 99.85 1jbj n GLY 80 Ca -0.11 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 1jbj n GLY 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jbj n SER 81 N -0.42 3.32 -2.42 1.61 3.41 -1.26 -4.87 113.62 112.99 1jbj n SER 81 Ca 0.00 -3.46 -0.33 0.00 -0.26 0.00 0.00 58.87 54.82 1jbj n SER 81 Cb 0.00 -0.57 0.05 0.00 -0.26 0.00 0.00 64.21 63.43 1jbj n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jbj n ALA 82 N -0.10 6.03 -2.75 7.33 0.00 -1.26 -4.04 120.51 125.71 1jbj n ALA 82 Ca 0.29 -3.76 -0.00 0.00 0.00 0.00 0.00 53.44 49.96 1jbj n ALA 82 Cb 0.50 -1.44 0.06 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.75 0.87 -1.28 0.00 2.03 -1.26 -4.95 116.55 111.22 1jbj n ASP 83 Ca 0.55 -2.06 -0.11 0.00 0.52 0.00 0.00 54.79 53.69 1jbj n ASP 83 Cb 0.62 -0.22 -0.01 0.00 -0.72 0.00 0.00 41.12 40.79 1jbj n ASP 83 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1jbj n ASP 84 N -0.66 -3.71 -1.50 1.67 -0.08 -1.26 -4.76 116.55 106.24 1jbj n ASP 84 Ca 0.01 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.44 1jbj n ASP 84 Cb 0.85 -2.91 -0.08 0.00 2.34 0.00 0.00 41.12 41.32 1jbj n ASP 84 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jbj n ALA 85 N -1.43 -3.52 -3.48 -1.67 0.00 -1.26 -4.90 120.51 104.25 1jbj n ALA 85 Ca -0.13 0.88 -0.28 0.00 0.00 0.00 0.00 53.44 53.90 1jbj n ALA 85 Cb 0.59 -1.60 -0.11 0.00 0.00 0.00 0.00 19.45 18.33 1jbj n ALA 85 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1jbj s LYS 86 N -4.58 0.89 -0.23 0.00 1.02 -1.26 -5.07 119.74 110.51 1jbj s LYS 86 Ca 0.00 -1.86 0.02 0.00 0.02 0.00 0.00 55.97 54.15 1jbj s LYS 86 Cb 0.00 -1.57 0.05 0.00 -0.52 0.00 0.00 37.83 35.78 1jbj s LYS 86 CO 0.00 -1.29 -0.12 0.15 -0.92 0.00 0.00 175.35 173.17 1jbj s LYS 87 N 0.40 2.29 -0.05 1.68 1.02 -1.26 -4.94 119.74 118.88 1jbj s LYS 87 Ca 0.25 -1.10 0.17 0.00 0.02 0.00 0.00 55.97 55.31 1jbj s LYS 87 Cb -0.10 -2.69 0.31 0.00 -0.52 0.00 0.00 37.83 34.83 1jbj s LYS 87 CO -0.10 -0.47 1.14 -0.25 -0.92 0.00 0.00 175.35 174.76 1jbj n ASP 88 N 4.55 0.29 -3.10 2.83 8.00 -1.26 -5.12 116.55 122.74 1jbj n ASP 88 Ca -0.15 -2.02 -0.09 0.00 0.71 0.00 0.00 54.79 53.23 1jbj n ASP 88 Cb 0.45 -0.07 0.01 0.00 -0.02 0.00 0.00 41.12 41.49 1jbj n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jbj s ALA 89 N -0.44 -0.56 -0.87 2.24 0.00 -1.26 -5.10 121.76 115.77 1jbj s ALA 89 Ca 0.21 -0.82 -0.00 0.00 0.00 0.00 0.00 51.96 51.35 1jbj s ALA 89 Cb 0.27 0.77 0.23 0.00 0.00 0.00 0.00 23.12 24.39 1jbj s ALA 89 CO -0.10 -0.96 0.82 0.00 0.00 0.00 0.00 175.76 175.52 1jbj n ALA 90 N -0.52 3.93 -2.07 0.00 0.00 -1.26 -5.05 120.51 115.54 1jbj n ALA 90 Ca -0.06 -4.63 -0.42 0.00 0.00 0.00 0.00 53.44 48.32 1jbj n ALA 90 Cb 0.60 -1.61 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 1jbj n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1jbj s LYS 91 N -1.65 4.13 0.11 0.00 -0.14 -1.26 -4.57 119.74 116.36 1jbj s LYS 91 Ca 0.29 2.06 0.00 0.00 -1.36 0.00 0.00 55.97 56.97 1jbj s LYS 91 Cb -0.03 -3.97 0.00 0.00 -1.68 0.00 0.00 37.83 32.15 1jbj s LYS 91 CO -0.10 -0.89 0.00 1.17 -0.76 0.00 0.00 175.35 174.77 1jbj n LYS 92 N 7.14 0.00 -3.64 1.68 4.81 -1.26 -5.15 118.16 121.74 1jbj n LYS 92 Ca 0.17 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.52 1jbj n LYS 92 Cb 0.43 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.41 1jbj n LYS 92 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1jbj s ASP 93 N -1.33 -0.54 -0.23 3.14 2.15 -1.26 -5.14 116.67 113.45 1jbj s ASP 93 Ca 0.00 1.01 -0.01 0.00 0.43 0.00 0.00 52.55 53.98 1jbj s ASP 93 Cb 0.00 1.05 0.07 0.00 -0.30 0.00 0.00 42.92 43.74 1jbj s ASP 93 CO 0.00 -0.17 0.01 1.51 -0.17 0.00 0.00 175.17 176.34 1jbj s ASP 94 N 0.41 3.47 -0.41 -0.34 -4.77 -1.26 -4.99 116.67 108.79 1jbj s ASP 94 Ca 0.01 -1.09 0.06 0.00 -3.30 0.00 0.00 52.55 48.23 1jbj s ASP 94 Cb -0.05 -0.89 0.69 0.00 -1.09 0.00 0.00 42.92 41.57 1jbj s ASP 94 CO -0.06 -0.29 1.87 0.00 0.70 0.00 0.00 175.17 177.38 1jbj n ALA 95 N 4.85 5.24 -2.48 2.11 0.00 -1.26 -4.97 120.51 124.00 1jbj n ALA 95 Ca -0.09 -2.75 -0.03 0.00 0.00 0.00 0.00 53.44 50.57 1jbj n ALA 95 Cb 0.45 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 1jbj n ALA 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jbj n LYS 96 N -0.86 -4.64 0.00 0.00 4.81 -1.26 -5.05 118.16 111.16 1jbj n LYS 96 Ca 0.53 3.42 0.00 0.00 -0.87 0.00 0.00 58.31 61.39 1jbj n LYS 96 Cb 1.56 -4.60 0.00 0.00 0.02 0.00 0.00 35.03 32.02 1jbj n LYS 96 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1jbj n LYS 97 N 1.84 0.00 -4.65 1.64 4.01 -1.26 -5.13 118.16 114.61 1jbj n LYS 97 Ca -0.19 0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.38 1jbj n LYS 97 Cb 0.30 0.00 -0.15 0.00 -0.51 0.00 0.00 35.03 34.67 1jbj n LYS 97 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1jbj s ASP 98 N -1.94 1.66 0.21 4.39 2.15 -1.26 -5.03 116.67 116.85 1jbj s ASP 98 Ca 0.00 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 52.72 1jbj s ASP 98 Cb 0.00 -0.22 0.00 0.00 -0.30 0.00 0.00 42.92 42.40 1jbj s ASP 98 CO 0.00 0.16 0.00 0.47 -0.17 0.00 0.00 175.17 175.63 1jbj n ASP 99 N 2.80 -0.11 -1.29 -0.34 8.00 -1.26 -5.16 116.55 119.18 1jbj n ASP 99 Ca -0.15 0.36 0.15 0.00 0.71 0.00 0.00 54.79 55.86 1jbj n ASP 99 Cb 0.55 0.30 -0.04 0.00 -0.02 0.00 0.00 41.12 41.91 1jbj n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jbj n ALA 100 N -3.23 -2.80 -1.84 2.24 0.00 -1.26 -4.39 120.51 109.24 1jbj n ALA 100 Ca 0.00 0.34 -0.29 0.00 0.00 0.00 0.00 53.44 53.49 1jbj n ALA 100 Cb 0.00 -0.97 0.04 0.00 0.00 0.00 0.00 19.45 18.52 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 -3.63 3.26 0.05 0.00 4.81 -1.26 -4.50 118.16 116.89 1jbj n LYS 101 Ca 0.01 -3.89 -0.09 0.00 -0.87 0.00 0.00 58.31 53.47 1jbj n LYS 101 Cb 0.49 -2.28 0.05 0.00 0.02 0.00 0.00 35.03 33.31 1jbj n LYS 101 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1jbj h LYS 102 N 2.20 0.41 -0.50 1.64 1.79 -1.92 -3.19 116.57 117.01 1jbj h LYS 102 Ca 0.45 -0.31 -0.27 0.00 -2.18 0.00 0.00 60.65 58.34 1jbj h LYS 102 Cb 1.18 0.06 -0.16 0.00 -1.58 0.00 0.00 32.23 31.72 1jbj h LYS 102 CO 1.07 0.94 0.02 -0.25 -1.08 0.00 0.00 179.45 180.15 1jbj n ASP 103 N -3.87 2.97 -2.28 0.86 9.92 -1.26 -4.91 116.55 117.97 1jbj n ASP 103 Ca -0.04 -3.77 -0.19 0.00 -0.53 0.00 0.00 54.79 50.26 1jbj n ASP 103 Cb 0.67 -0.67 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 1jbj n ASP 103 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jbj n GLY 104 N -1.10 -0.16 3.83 0.44 0.00 -1.21 -4.96 105.19 102.04 1jbj n GLY 104 Ca 0.39 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 1jbj n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jbj s SER 105 N -2.13 5.62 -0.21 1.61 0.01 -1.26 -4.97 113.70 112.37 1jbj s SER 105 Ca 0.00 1.55 -0.29 0.00 1.31 0.00 0.00 55.95 58.52 1jbj s SER 105 Cb 0.00 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.72 1jbj s SER 105 CO 0.00 -1.28 1.54 -1.10 0.41 0.00 0.00 173.24 172.81 1jbj s GLN 106 N -5.09 3.90 -0.46 12.44 -1.52 -1.26 -4.70 119.66 122.97 1jbj s GLN 106 Ca 0.57 1.66 0.06 0.00 -1.95 0.00 0.00 55.36 55.71 1jbj s GLN 106 Cb -0.13 -3.98 0.32 0.00 -0.22 0.00 0.00 33.01 29.00 1jbj s GLN 106 CO 0.55 -1.16 1.11 -2.37 -0.25 0.00 0.00 175.29 173.16 1jbj n THR 107 N 6.17 -0.01 -3.70 -0.19 5.66 -1.26 -4.99 114.28 115.96 1jbj n THR 107 Ca 0.18 -1.59 -0.15 0.00 -3.05 0.00 0.00 64.05 59.44 1jbj n THR 107 Cb 0.45 1.45 -0.15 0.00 -1.55 0.00 0.00 70.33 70.53 1jbj n THR 107 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1jbj s ASN 108 N -1.31 0.30 1.42 1.09 3.84 -1.26 -4.93 114.94 114.09 1jbj s ASN 108 Ca 0.23 0.35 -0.23 0.00 0.21 0.00 0.00 52.86 53.41 1jbj s ASN 108 Cb 0.29 0.27 0.37 0.00 -0.55 0.00 0.00 41.25 41.63 1jbj s ASN 108 CO -0.05 -0.20 0.94 -1.59 -2.79 0.00 0.00 177.10 173.40 1jbj s LYS 109 N 1.77 -2.95 -0.22 0.43 -2.85 -1.26 -4.73 119.74 109.93 1jbj s LYS 109 Ca -0.03 0.10 -0.08 0.00 -1.00 0.00 0.00 55.97 54.96 1jbj s LYS 109 Cb -0.12 -1.38 0.03 0.00 -2.06 0.00 0.00 37.83 34.31 1jbj s LYS 109 CO -0.06 -4.88 0.17 0.00 0.10 0.00 0.00 175.35 170.68 1jbj n ALA 110 N -5.63 -3.64 -3.34 0.59 0.00 -1.26 -5.06 120.51 102.17 1jbj n ALA 110 Ca 0.13 1.79 -0.09 0.00 0.00 0.00 0.00 53.44 55.27 1jbj n ALA 110 Cb 0.60 -3.50 -0.08 0.00 0.00 0.00 0.00 19.45 16.48 1jbj n ALA 110 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1jbj s LYS 111 N -0.96 0.36 -0.54 0.00 2.20 -1.26 -5.11 119.74 114.43 1jbj s LYS 111 Ca -0.20 0.50 -0.08 0.00 -0.36 0.00 0.00 55.97 55.83 1jbj s LYS 111 Cb 0.01 -0.44 0.14 0.00 -1.51 0.00 0.00 37.83 36.03 1jbj s LYS 111 CO 0.76 -0.68 0.41 -0.80 -0.36 0.00 0.00 175.35 174.68 1jbj s ASN 112 N 2.55 5.74 0.01 1.43 -0.87 -1.26 -5.01 114.94 117.53 1jbj s ASN 112 Ca 0.13 -2.17 -0.12 0.00 -1.57 0.00 0.00 52.86 49.13 1jbj s ASN 112 Cb -0.15 -2.00 0.04 0.00 -0.02 0.00 0.00 41.25 39.12 1jbj s ASN 112 CO -0.17 -0.62 0.53 -0.11 -2.57 0.00 0.00 177.10 174.16 1jbj n LEU 113 N 4.54 0.00 -4.80 0.60 7.94 -1.26 -5.12 117.00 118.90 1jbj n LEU 113 Ca -0.02 -0.27 -0.38 0.00 -1.11 0.00 0.00 56.01 54.23 1jbj n LEU 113 Cb 0.41 0.89 -0.06 0.00 0.53 0.00 0.00 43.42 45.19 1jbj n LEU 113 CO 0.40 -0.09 0.42 0.54 -1.11 0.00 0.00 177.39 177.55 1jbj s VAL 114 N -2.14 4.52 0.04 1.96 0.11 -1.26 -4.57 120.40 119.05 1jbj s VAL 114 Ca 0.12 1.44 -0.01 0.00 -2.93 0.00 0.00 61.98 60.61 1jbj s VAL 114 Cb -0.01 -3.98 -0.03 0.00 -1.53 0.00 0.00 36.38 30.83 1jbj s VAL 114 CO 0.00 0.40 -0.03 -1.10 -3.33 0.00 0.00 175.10 171.04 1jbj s GLN 115 N -1.49 0.53 0.03 1.54 -0.21 -1.10 -5.03 119.66 113.93 1jbj s GLN 115 Ca 0.38 -1.05 0.01 0.00 0.02 0.00 0.00 55.36 54.71 1jbj s GLN 115 Cb -0.20 0.18 -0.02 0.00 1.00 0.00 0.00 33.01 33.97 1jbj s GLN 115 CO 0.23 -0.09 -0.05 0.14 -2.12 0.00 0.00 175.29 173.40 1jbj s VAL 116 N -3.24 0.30 0.11 1.09 -7.23 -1.26 0.17 120.40 110.33 1jbj s VAL 116 Ca 0.01 -1.04 0.02 0.00 -1.81 0.00 0.00 61.98 59.16 1jbj s VAL 116 Cb 0.03 -0.48 -0.04 0.00 0.56 0.00 0.00 36.38 36.45 1jbj s VAL 116 CO -0.07 -0.48 0.20 -0.62 -0.31 0.00 0.00 175.10 173.81 1jbj s ASP 117 N -1.60 6.08 0.00 4.85 -1.08 0.39 -4.91 116.67 120.39 1jbj s ASP 117 Ca -0.12 0.13 0.00 0.00 -0.52 0.00 0.00 52.55 52.04 1jbj s ASP 117 Cb -0.09 -1.78 0.00 0.00 -1.46 0.00 0.00 42.92 39.59 1jbj s ASP 117 CO -0.01 0.12 0.00 0.61 0.52 0.00 0.00 175.17 176.41 1jbj n GLY 118 N -0.04 0.01 3.14 2.66 0.00 -1.25 -1.97 105.19 107.73 1jbj n GLY 118 Ca -0.07 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1jbj n GLY 118 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jbj s SER 119 N -3.28 5.47 -0.13 1.61 0.01 -1.26 -3.55 113.70 112.57 1jbj s SER 119 Ca 0.00 -2.69 0.16 0.00 1.31 0.00 0.00 55.95 54.73 1jbj s SER 119 Cb 0.00 -1.91 0.61 0.00 0.21 0.00 0.00 66.02 64.93 1jbj s SER 119 CO 0.00 -0.44 1.52 0.54 0.41 0.00 0.00 173.24 175.28 1jbj n ARG 120 N 3.76 3.52 0.00 12.44 1.74 -1.26 -4.95 116.66 131.91 1jbj n ARG 120 Ca 0.06 -2.77 0.00 0.00 -0.77 0.00 0.00 57.85 54.37 1jbj n ARG 120 Cb 0.40 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 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 0.47 3.05 0.07 -0.13 0.00 -1.26 -4.69 105.19 102.69 1jbj n GLY 121 Ca 0.22 -0.85 0.05 0.00 0.00 0.00 0.00 46.02 45.44 1jbj n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jbj n ASP 122 N 1.27 0.41 0.00 1.61 9.92 -1.26 -5.00 116.55 123.50 1jbj n ASP 122 Ca 0.00 0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.43 1jbj n ASP 122 Cb 0.00 1.03 0.00 0.00 -0.64 0.00 0.00 41.12 41.51 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 1.35 0.90 3.69 0.44 0.00 -1.26 -5.04 105.19 105.26 1jbj n GLY 123 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.75 5.24 -0.20 1.61 0.15 -1.23 -2.58 113.70 114.94 1jbj s SER 124 Ca 0.00 0.13 -0.08 0.00 0.70 0.00 0.00 55.95 56.70 1jbj s SER 124 Cb 0.00 -1.46 -0.04 0.00 -1.71 0.00 0.00 66.02 62.81 1jbj s SER 124 CO 0.00 0.36 0.07 -0.69 1.20 0.00 0.00 173.24 174.18 1jbj s VAL 125 N -0.92 4.72 -0.05 4.45 1.01 -0.81 -3.89 120.40 124.91 1jbj s VAL 125 Ca 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 1jbj s VAL 125 Cb -0.11 -3.15 0.03 0.00 0.00 0.00 0.00 36.38 33.14 1jbj s VAL 125 CO 0.04 0.42 0.03 -0.76 0.00 0.00 0.00 175.10 174.83 1jbj s LEU 126 N 0.71 0.42 0.11 3.92 1.02 -0.83 -1.55 118.68 122.47 1jbj s LEU 126 Ca 0.04 0.00 -0.25 0.00 0.02 0.00 0.00 54.13 53.94 1jbj s LEU 126 Cb -0.13 -0.27 -0.07 0.00 0.02 0.00 0.00 46.19 45.74 1jbj s LEU 126 CO 0.02 -0.21 0.78 -0.76 0.02 0.00 0.00 176.35 176.19 1jbj s LEU 127 N 1.98 4.53 -0.26 1.79 1.43 0.05 0.15 118.68 128.34 1jbj s LEU 127 Ca 0.04 1.56 -0.09 0.00 -1.03 0.00 0.00 54.13 54.61 1jbj s LEU 127 Cb -0.12 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 1jbj s LEU 127 CO -0.04 0.12 0.13 0.42 0.23 0.00 0.00 176.35 177.21 1jbj s THR 128 N -0.65 4.79 1.02 5.49 -4.23 0.45 0.17 115.64 122.67 1jbj s THR 128 Ca 0.37 -0.01 -0.18 0.00 -1.18 0.00 0.00 61.69 60.69 1jbj s THR 128 Cb -0.22 -3.26 -0.03 0.00 1.34 0.00 0.00 72.50 70.32 1jbj s THR 128 CO 0.25 0.29 -0.35 0.00 -0.54 0.00 0.00 174.62 174.28 1jbj n GLY 130 N 2.48 4.17 3.65 0.00 0.00 -1.26 -4.50 105.19 109.72 1jbj n GLY 130 Ca 0.01 -1.26 -0.02 0.00 0.00 0.00 0.00 46.02 44.76 1jbj n GLY 130 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1jbj s LEU 131 N -1.90 -0.06 -0.12 0.99 2.34 -1.26 -4.78 118.68 113.89 1jbj s LEU 131 Ca 0.37 0.11 0.07 0.00 0.06 0.00 0.00 54.13 54.74 1jbj s LEU 131 Cb 0.27 1.11 0.40 0.00 -0.56 0.00 0.00 46.19 47.41 1jbj s LEU 131 CO -0.04 -0.02 1.11 0.35 -1.06 0.00 0.00 176.35 176.69 1jbj n THR 132 N 1.94 1.36 -1.63 5.48 -2.24 -1.26 -4.92 114.28 113.01 1jbj n THR 132 Ca -0.12 -0.68 -0.38 0.00 -2.27 0.00 0.00 64.05 60.60 1jbj n THR 132 Cb 0.57 -0.40 0.06 0.00 -2.10 0.00 0.00 70.33 68.45 1jbj n THR 132 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1jbj n ASP 133 N 0.29 0.98 0.00 3.42 -0.08 -1.26 -4.83 116.55 115.07 1jbj n ASP 133 Ca 0.14 0.81 0.04 0.00 -1.51 0.00 0.00 54.79 54.27 1jbj n ASP 133 Cb 0.72 -1.42 0.20 0.00 2.34 0.00 0.00 41.12 42.96 1jbj n ASP 133 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1jbj n LYS 134 N -1.17 0.05 -4.28 -0.67 2.85 -1.26 -4.48 118.16 109.20 1jbj n LYS 134 Ca 0.14 0.30 -0.23 0.00 -1.05 0.00 0.00 58.31 57.46 1jbj n LYS 134 Cb 0.47 -1.50 -0.17 0.00 -0.65 0.00 0.00 35.03 33.19 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 -2.85 0.87 -0.06 0.58 2.01 -1.26 -5.13 115.64 109.81 1jbj s THR 135 Ca 0.06 -0.29 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 1jbj s THR 135 Cb 0.06 -0.85 0.02 0.00 0.01 0.00 0.00 72.50 71.74 1jbj s THR 135 CO 0.15 0.31 0.15 -0.63 -0.69 0.00 0.00 174.62 173.91 1jbj s ILE 136 N 1.01 -0.02 -0.12 1.82 1.01 -1.26 -3.90 121.20 119.74 1jbj s ILE 136 Ca -0.09 0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.61 1jbj s ILE 136 Cb -0.15 -0.23 0.03 0.00 0.01 0.00 0.00 42.46 42.13 1jbj s ILE 136 CO -0.00 0.02 -0.05 -0.54 0.00 0.00 0.00 174.94 174.37 1jbj s LYS 137 N 0.45 1.31 -0.06 2.79 1.02 0.15 -4.96 119.74 120.46 1jbj s LYS 137 Ca -0.03 -0.25 -0.00 0.00 0.02 0.00 0.00 55.97 55.70 1jbj s LYS 137 Cb -0.05 -1.59 -0.03 0.00 -0.52 0.00 0.00 37.83 35.64 1jbj s LYS 137 CO -0.02 -0.32 -0.02 -0.46 -0.92 0.00 0.00 175.35 173.61 1jbj s TRP 138 N 1.74 3.08 0.10 3.18 -0.11 -1.26 0.99 118.94 126.67 1jbj s TRP 138 Ca 0.04 0.12 0.08 0.00 1.22 0.00 0.00 56.10 57.55 1jbj s TRP 138 Cb -0.13 -1.73 -0.03 0.00 -1.50 0.00 0.00 33.47 30.07 1jbj s TRP 138 CO -0.08 0.43 -0.20 -0.51 -4.62 0.00 0.00 176.95 171.98 1jbj s LEU 139 N -1.04 2.31 -0.14 5.86 1.02 -0.27 -2.62 118.68 123.80 1jbj s LEU 139 Ca 0.15 -0.70 0.00 0.00 0.02 0.00 0.00 54.13 53.60 1jbj s LEU 139 Cb -0.11 -0.83 0.02 0.00 0.02 0.00 0.00 46.19 45.30 1jbj s LEU 139 CO 0.04 0.03 -0.12 -0.75 0.02 0.00 0.00 176.35 175.57 1jbj s LYS 140 N -1.99 2.08 -1.53 1.70 2.36 0.25 -2.25 119.74 120.36 1jbj s LYS 140 Ca 0.06 -0.49 -0.01 0.00 -2.55 0.00 0.00 55.97 52.98 1jbj s LYS 140 Cb -0.09 -1.98 0.01 0.00 -1.05 0.00 0.00 37.83 34.71 1jbj s LYS 140 CO 0.04 -0.25 0.15 -0.25 1.55 0.00 0.00 175.35 176.59 1jbj n ASP 141 N 4.81 -5.34 0.00 1.43 8.00 -1.25 -0.93 116.55 123.28 1jbj n ASP 141 Ca -0.16 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.30 1jbj n ASP 141 Cb 0.50 -4.43 0.00 0.00 -0.02 0.00 0.00 41.12 37.17 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 -1.07 0.54 3.38 0.44 0.00 -1.26 -5.06 105.19 102.16 1jbj n GLY 142 Ca -0.18 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.63 2.88 -0.15 1.61 0.15 -0.10 -5.12 113.70 110.35 1jbj s SER 143 Ca 0.00 -0.99 -0.21 0.00 0.70 0.00 0.00 55.95 55.45 1jbj s SER 143 Cb 0.00 -0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 64.09 1jbj s SER 143 CO 0.00 -0.08 0.62 -0.63 1.20 0.00 0.00 173.24 174.35 1jbj s ILE 144 N -2.65 5.06 -0.22 6.45 1.09 -1.26 0.87 121.20 130.53 1jbj s ILE 144 Ca 0.23 1.22 -0.04 0.00 -1.10 0.00 0.00 60.65 60.96 1jbj s ILE 144 Cb -0.03 -3.95 0.08 0.00 -1.06 0.00 0.00 42.46 37.50 1jbj s ILE 144 CO 0.09 0.19 0.10 -0.51 -0.10 0.00 0.00 174.94 174.71 1jbj s ILE 145 N 1.37 0.02 0.04 2.92 2.07 -1.08 -4.89 121.20 121.65 1jbj s ILE 145 Ca 0.31 -0.48 0.05 0.00 -1.41 0.00 0.00 60.65 59.12 1jbj s ILE 145 Cb -0.16 -0.82 -0.02 0.00 0.13 0.00 0.00 42.46 41.59 1jbj s ILE 145 CO 0.12 -0.46 -0.14 -0.94 -1.91 0.00 0.00 174.94 171.62 1jbj s SER 146 N 2.07 1.61 0.48 4.50 1.04 -1.26 -4.56 113.70 117.58 1jbj s SER 146 Ca 0.05 -0.49 -0.04 0.00 0.48 0.00 0.00 55.95 55.95 1jbj s SER 146 Cb -0.16 -0.09 -0.02 0.00 0.10 0.00 0.00 66.02 65.85 1jbj s SER 146 CO -0.20 0.00 0.77 -2.16 0.98 0.00 0.00 173.24 172.63 1jbj s PRO 147 N -1.25 3.35 -0.22 4.02 0.04 -1.26 -5.02 135.00 134.66 1jbj s PRO 147 Ca 0.00 0.01 0.12 0.00 0.04 0.00 0.00 61.00 61.18 1jbj s PRO 147 Cb -0.08 -2.41 0.44 0.00 0.04 0.00 0.00 34.50 32.49 1jbj s PRO 147 CO 0.01 -0.27 1.32 -0.11 0.04 0.00 0.00 177.00 177.99 1jbj n LEU 148 N -2.25 3.28 -0.86 -3.56 -0.00 -1.26 -4.53 117.00 107.81 1jbj n LEU 148 Ca 0.01 -3.60 -0.05 0.00 -0.00 0.00 0.00 56.01 52.37 1jbj n LEU 148 Cb 0.56 -0.55 -0.05 0.00 -0.00 0.00 0.00 43.42 43.38 1jbj n LEU 148 CO 0.52 1.13 0.32 -3.20 -0.00 0.00 0.00 177.39 176.16 1jbj n ASN 149 N -1.11 -0.69 -3.57 1.96 2.85 -1.26 -5.13 115.26 108.31 1jbj n ASN 149 Ca 0.24 -1.72 -0.16 0.00 -0.11 0.00 0.00 54.58 52.82 1jbj n ASN 149 Cb 0.83 0.21 -0.06 0.00 1.24 0.00 0.00 39.78 41.99 1jbj n ASN 149 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1jbj s ALA 150 N 0.00 -1.75 -0.13 5.20 0.00 -1.26 -5.07 121.76 118.75 1jbj s ALA 150 Ca 0.00 1.56 0.02 0.00 0.00 0.00 0.00 51.96 53.54 1jbj s ALA 150 Cb 0.00 -0.43 0.08 0.00 0.00 0.00 0.00 23.12 22.77 1jbj s ALA 150 CO -0.00 -0.36 0.80 -2.37 0.00 0.00 0.00 175.76 173.83 1jbj n THR 151 N 1.58 0.00 -1.95 0.00 5.66 -1.26 -4.73 114.28 113.59 1jbj n THR 151 Ca -0.17 -0.32 -0.39 0.00 -3.05 0.00 0.00 64.05 60.12 1jbj n THR 151 Cb 0.56 0.60 0.04 0.00 -1.55 0.00 0.00 70.33 69.98 1jbj n THR 151 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1jbj n LYS 152 N -0.36 2.81 -1.76 1.09 2.85 -1.26 -4.78 118.16 116.74 1jbj n LYS 152 Ca -0.09 -3.60 -0.16 0.00 -1.05 0.00 0.00 58.31 53.41 1jbj n LYS 152 Cb 0.60 -2.27 -0.05 0.00 -0.65 0.00 0.00 35.03 32.66 1jbj n LYS 152 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1jbj n ASN 153 N -0.55 -4.32 -4.36 -5.58 6.94 -1.26 -4.93 115.26 101.20 1jbj n ASN 153 Ca 0.53 0.30 -0.19 0.00 -0.02 0.00 0.00 54.58 55.20 1jbj n ASN 153 Cb 0.28 -3.84 -0.10 0.00 -2.36 0.00 0.00 39.78 33.77 1jbj n ASN 153 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1jbj s THR 154 N -2.48 1.58 -0.03 5.53 -4.23 -1.26 -0.43 115.64 114.33 1jbj s THR 154 Ca 0.00 -2.15 0.02 0.00 -1.18 0.00 0.00 61.69 58.38 1jbj s THR 154 Cb 0.00 -2.19 0.01 0.00 1.34 0.00 0.00 72.50 71.66 1jbj s THR 154 CO 0.00 -0.48 -0.07 0.86 -0.54 0.00 0.00 174.62 174.39 1jbj s TRP 155 N -3.06 0.80 0.28 3.99 -0.00 0.44 -4.71 118.94 116.67 1jbj s TRP 155 Ca 0.25 -0.20 -0.29 0.00 -0.00 0.00 0.00 56.10 55.85 1jbj s TRP 155 Cb 0.02 -0.62 -0.09 0.00 -0.00 0.00 0.00 33.47 32.78 1jbj s TRP 155 CO 0.08 -0.12 1.04 1.21 -0.00 0.00 0.00 176.95 179.16 1jbj s ASN 156 N 0.43 7.36 0.00 5.86 3.84 -1.26 -0.77 114.94 130.40 1jbj s ASN 156 Ca -0.06 2.13 0.00 0.00 0.21 0.00 0.00 52.86 55.14 1jbj s ASN 156 Cb -0.10 -2.62 0.00 0.00 -0.55 0.00 0.00 41.25 37.98 1jbj s ASN 156 CO 0.00 -0.06 0.00 0.18 -2.79 0.00 0.00 177.10 174.43 1jbj n LEU 157 N 1.18 2.40 0.00 3.21 4.77 -0.60 -4.92 117.00 123.04 1jbj n LEU 157 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1jbj n LEU 157 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1jbj n LEU 157 CO 0.52 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1jbj n GLY 158 N 3.35 0.67 3.48 -0.72 0.00 -1.23 -4.14 105.19 106.61 1jbj n GLY 158 Ca 0.00 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 1jbj n GLY 158 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jbj s ASN 159 N -4.00 6.00 0.49 1.61 2.47 -1.26 -1.92 114.94 118.33 1jbj s ASN 159 Ca 0.00 -0.64 0.42 0.00 0.42 0.00 0.00 52.86 53.06 1jbj s ASN 159 Cb 0.00 -2.12 1.58 0.00 -1.45 0.00 0.00 41.25 39.25 1jbj s ASN 159 CO 0.00 -0.31 1.50 -0.46 -3.72 0.00 0.00 177.10 174.10 1jbj n ASN 160 N 5.10 0.08 -0.23 -4.21 0.23 -1.07 0.13 115.26 115.29 1jbj n ASN 160 Ca -0.12 1.10 0.12 0.00 -0.53 0.00 0.00 54.58 55.15 1jbj n ASN 160 Cb 0.48 -0.55 0.41 0.00 -2.08 0.00 0.00 39.78 38.05 1jbj n ASN 160 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jbj h ALA 161 N 1.18 1.89 0.00 -2.53 0.00 -1.87 -3.34 119.26 114.59 1jbj h ALA 161 Ca 0.88 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.63 1jbj h ALA 161 Cb 3.28 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 20.82 1jbj h ALA 161 CO -0.18 -0.11 -0.26 1.17 0.00 0.00 0.00 179.25 179.87 1jbj n LYS 162 N -4.53 1.15 -2.67 0.00 4.81 0.33 -3.76 118.16 113.49 1jbj n LYS 162 Ca 0.16 -1.34 -0.40 0.00 -0.87 0.00 0.00 58.31 55.85 1jbj n LYS 162 Cb 0.46 0.19 -0.05 0.00 0.02 0.00 0.00 35.03 35.65 1jbj n LYS 162 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1jbj s ASP 163 N -1.03 7.51 0.11 3.14 -4.77 0.34 -4.75 116.67 117.22 1jbj s ASP 163 Ca 0.13 2.00 -0.33 0.00 -3.30 0.00 0.00 52.55 51.05 1jbj s ASP 163 Cb 0.38 -2.61 -0.12 0.00 -1.09 0.00 0.00 42.92 39.48 1jbj s ASP 163 CO -0.10 0.02 1.74 -2.65 0.70 0.00 0.00 175.17 174.88 1jbj n PRO 164 N 1.78 2.47 -3.12 2.11 -0.02 -1.26 -4.72 135.00 132.22 1jbj n PRO 164 Ca -0.00 0.89 -0.19 0.00 -2.02 0.00 0.00 63.50 62.18 1jbj n PRO 164 Cb 0.47 -2.73 0.01 0.00 -0.02 0.00 0.00 33.50 31.23 1jbj n PRO 164 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1jbj s ARG 165 N 2.09 2.93 0.00 -0.52 1.70 -1.26 -4.92 118.95 118.97 1jbj s ARG 165 Ca 0.82 -0.98 0.00 0.00 -0.47 0.00 0.00 55.73 55.09 1jbj s ARG 165 Cb -0.59 -2.72 0.00 0.00 -0.57 0.00 0.00 34.95 31.08 1jbj s ARG 165 CO 0.39 -0.21 0.00 0.41 -1.08 0.00 0.00 175.30 174.81 1jbj n GLY 166 N -1.88 -0.48 3.71 3.88 0.00 -1.04 -5.03 105.19 104.37 1jbj n GLY 166 Ca 0.04 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.82 4.47 -0.05 2.61 -4.23 -1.26 -0.89 115.64 113.47 1jbj s THR 167 Ca 0.00 -0.24 -0.01 0.00 -1.18 0.00 0.00 61.69 60.26 1jbj s THR 167 Cb 0.00 -2.91 0.03 0.00 1.34 0.00 0.00 72.50 70.96 1jbj s THR 167 CO 0.00 0.57 0.00 -0.31 -0.54 0.00 0.00 174.62 174.34 1jbj s TYR 168 N -0.94 0.50 -0.06 3.99 1.51 -0.19 -3.83 117.35 118.33 1jbj s TYR 168 Ca 0.15 -0.07 -0.03 0.00 -1.01 0.00 0.00 57.07 56.11 1jbj s TYR 168 Cb -0.11 -0.63 -0.04 0.00 -0.11 0.00 0.00 41.96 41.06 1jbj s TYR 168 CO 0.04 -0.24 0.10 1.14 -1.11 0.00 0.00 175.55 175.48 1jbj s GLN 169 N 1.60 3.21 0.02 -0.62 -2.07 -0.96 0.16 119.66 121.00 1jbj s GLN 169 Ca -0.01 -0.34 0.03 0.00 -1.82 0.00 0.00 55.36 53.21 1jbj s GLN 169 Cb -0.13 -2.98 -0.04 0.00 -1.09 0.00 0.00 33.01 28.78 1jbj s GLN 169 CO -0.03 0.70 -0.01 0.00 -1.32 0.00 0.00 175.29 174.63 1jbj s GLN 171 N -1.69 0.26 0.31 0.00 -0.21 0.28 -0.20 119.66 118.41 1jbj s GLN 171 Ca 0.20 -0.26 0.09 0.00 0.02 0.00 0.00 55.36 55.41 1jbj s GLN 171 Cb -0.11 -1.84 -0.04 0.00 1.00 0.00 0.00 33.01 32.01 1jbj s GLN 171 CO 0.11 -0.71 0.08 0.20 -2.12 0.00 0.00 175.29 172.85 1jbj s GLY 172 N 2.04 1.84 0.05 3.09 0.00 0.32 -0.67 107.32 113.99 1jbj s GLY 172 Ca 0.02 -1.77 -0.08 0.00 0.00 0.00 0.00 44.72 42.89 1jbj s GLY 172 CO -0.12 -1.75 0.45 0.00 0.00 0.00 0.00 173.10 171.68 1jbj n ALA 173 N -1.04 -0.17 -0.94 3.20 0.00 -1.25 -1.90 120.51 118.40 1jbj n ALA 173 Ca -0.04 0.25 0.01 0.00 0.00 0.00 0.00 53.44 53.65 1jbj n ALA 173 Cb 0.60 -0.05 0.01 0.00 0.00 0.00 0.00 19.45 20.01 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 -4.37 0.77 -3.85 0.00 4.81 -1.26 -5.01 118.16 109.25 1jbj n LYS 174 Ca 0.01 -0.96 -0.29 0.00 -0.87 0.00 0.00 58.31 56.20 1jbj n LYS 174 Cb 0.08 -0.68 -0.16 0.00 0.02 0.00 0.00 35.03 34.29 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 -0.43 1.22 -0.22 1.64 2.02 -0.80 -5.11 118.70 117.01 1jbj s GLU 175 Ca 0.02 -0.74 -0.04 0.00 0.02 0.00 0.00 54.97 54.22 1jbj s GLU 175 Cb 0.02 -2.38 -0.01 0.00 0.10 0.00 0.00 34.13 31.86 1jbj s GLU 175 CO 0.00 -0.61 -0.02 0.99 0.02 0.00 0.00 175.26 175.64 1jbj s THR 176 N 1.59 3.52 0.36 3.63 2.01 -1.26 0.12 115.64 125.61 1jbj s THR 176 Ca -0.04 -0.44 -0.06 0.00 0.31 0.00 0.00 61.69 61.46 1jbj s THR 176 Cb -0.18 -2.61 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 1jbj s THR 176 CO -0.07 0.41 0.66 -0.44 -0.69 0.00 0.00 174.62 174.49 1jbj s SER 177 N 1.50 6.44 0.52 3.53 0.01 0.72 -4.96 113.70 121.46 1jbj s SER 177 Ca 0.06 0.86 -0.10 0.00 1.31 0.00 0.00 55.95 58.08 1jbj s SER 177 Cb -0.14 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 63.83 1jbj s SER 177 CO -0.02 -0.32 0.89 0.54 0.41 0.00 0.00 173.24 174.74 1jbj s ASN 178 N -3.34 6.35 -0.34 2.44 2.20 -1.26 -2.74 114.94 118.24 1jbj s ASN 178 Ca 0.47 1.22 -0.33 0.00 -0.94 0.00 0.00 52.86 53.28 1jbj s ASN 178 Cb -0.10 -2.37 -0.10 0.00 -2.00 0.00 0.00 41.25 36.67 1jbj s ASN 178 CO 0.33 -0.65 2.22 -2.65 -2.94 0.00 0.00 177.10 173.41 1jbj n PRO 179 N -2.15 1.27 -2.66 3.55 -0.02 -1.26 -4.45 135.00 129.28 1jbj n PRO 179 Ca 0.04 0.33 -0.43 0.00 -2.02 0.00 0.00 63.50 61.42 1jbj n PRO 179 Cb 0.54 -2.69 -0.02 0.00 -0.02 0.00 0.00 33.50 31.32 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 7.87 3.96 -0.93 2.45 2.96 0.42 -4.60 118.68 130.80 1jbj s LEU 180 Ca 1.07 1.05 -0.21 0.00 -0.22 0.00 0.00 54.13 55.82 1jbj s LEU 180 Cb -0.70 -3.51 0.09 0.00 0.50 0.00 0.00 46.19 42.57 1jbj s LEU 180 CO 0.44 -0.85 1.23 -1.10 -1.32 0.00 0.00 176.35 174.76 1jbj s GLN 181 N 3.57 3.54 -0.62 1.98 -0.21 -1.26 -1.02 119.66 125.64 1jbj s GLN 181 Ca 0.44 -1.41 -0.21 0.00 0.02 0.00 0.00 55.36 54.21 1jbj s GLN 181 Cb -0.12 -4.99 0.09 0.00 1.00 0.00 0.00 33.01 28.98 1jbj s GLN 181 CO 0.14 -1.94 0.83 0.08 -2.12 0.00 0.00 175.29 172.29 1jbj s VAL 182 N 3.71 4.57 -0.60 1.09 1.01 -0.07 0.77 120.40 130.88 1jbj s VAL 182 Ca 0.37 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 1jbj s VAL 182 Cb -0.04 -4.59 0.15 0.00 0.00 0.00 0.00 36.38 31.90 1jbj s VAL 182 CO -0.07 -1.29 0.55 -0.47 0.00 0.00 0.00 175.10 173.82 1jbj s TYR 183 N 3.38 3.34 -0.26 5.22 6.14 -0.36 -2.49 117.35 132.32 1jbj s TYR 183 Ca 0.17 -1.42 -0.03 0.00 0.64 0.00 0.00 57.07 56.44 1jbj s TYR 183 Cb -0.20 -3.81 0.02 0.00 0.42 0.00 0.00 41.96 38.39 1jbj s TYR 183 CO 0.08 -1.02 -0.04 0.71 0.64 0.00 0.00 175.55 175.93 1jbj s TYR 184 N 1.35 3.08 -0.05 4.97 1.51 -1.25 -2.19 117.35 124.78 1jbj s TYR 184 Ca 0.06 -1.45 -0.02 0.00 -1.01 0.00 0.00 57.07 54.65 1jbj s TYR 184 Cb -0.26 -2.09 0.04 0.00 -0.11 0.00 0.00 41.96 39.53 1jbj s TYR 184 CO 0.01 -0.70 0.10 0.50 -1.11 0.00 0.00 175.55 174.35 1jbj s ARG 185 N 1.36 0.01 0.00 -0.62 3.00 -1.23 -4.53 118.95 116.93 1jbj s ARG 185 Ca 0.01 0.35 0.00 0.00 -1.00 0.00 0.00 55.73 55.08 1jbj s ARG 185 Cb -0.17 -0.27 0.00 0.00 0.00 0.00 0.00 34.95 34.52 1jbj s ARG 185 CO -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 175.30 175.05