#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 -0.17 -0.09 1.67 -4.77 -1.26 -5.15 116.67 106.90 1jbj s ASP 2 Ca 0.00 0.05 -0.03 0.00 -3.30 0.00 0.00 52.55 49.28 1jbj s ASP 2 Cb 0.00 0.30 0.04 0.00 -1.09 0.00 0.00 42.92 42.17 1jbj s ASP 2 CO 0.00 -0.44 0.05 0.00 0.70 0.00 0.00 175.17 175.48 1jbj s ALA 3 N -1.34 0.48 1.01 2.11 0.00 -1.26 -5.15 121.76 117.62 1jbj s ALA 3 Ca -0.14 -0.10 -0.15 0.00 0.00 0.00 0.00 51.96 51.58 1jbj s ALA 3 Cb -0.05 -0.81 0.20 0.00 0.00 0.00 0.00 23.12 22.45 1jbj s ALA 3 CO 0.04 -0.71 1.15 -1.21 0.00 0.00 0.00 175.76 175.03 1jbj s GLU 4 N 2.08 0.31 -0.36 0.00 2.02 -1.26 -4.66 118.70 116.84 1jbj s GLU 4 Ca 0.04 0.14 -0.10 0.00 0.02 0.00 0.00 54.97 55.07 1jbj s GLU 4 Cb -0.14 -1.76 0.01 0.00 0.10 0.00 0.00 34.13 32.35 1jbj s GLU 4 CO -0.05 -2.73 0.46 -1.71 0.02 0.00 0.00 175.26 171.24 1jbj n ASN 5 N -4.11 -6.41 -4.81 -0.19 5.15 -1.26 -5.05 115.26 98.58 1jbj n ASN 5 Ca 0.09 0.33 -0.22 0.00 -0.60 0.00 0.00 54.58 54.18 1jbj n ASN 5 Cb 0.59 -4.26 0.08 0.00 -0.53 0.00 0.00 39.78 35.66 1jbj n ASN 5 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1jbj s ILE 6 N -2.32 2.29 0.43 -1.44 -1.09 -1.26 -5.10 121.20 112.70 1jbj s ILE 6 Ca 0.16 -0.67 -0.03 0.00 -2.23 0.00 0.00 60.65 57.87 1jbj s ILE 6 Cb -0.04 -2.62 -0.04 0.00 -1.58 0.00 0.00 42.46 38.18 1jbj s ILE 6 CO 0.57 0.00 0.70 -1.83 -1.23 0.00 0.00 174.94 173.14 1jbj s GLU 7 N -4.96 3.53 0.23 2.79 4.04 -1.26 -4.67 118.70 118.40 1jbj s GLU 7 Ca 0.63 0.02 -0.30 0.00 0.04 0.00 0.00 54.97 55.36 1jbj s GLU 7 Cb -0.07 -2.48 -0.09 0.00 0.02 0.00 0.00 34.13 31.51 1jbj s GLU 7 CO 0.42 -0.06 1.32 0.71 -1.84 0.00 0.00 175.26 175.81 1jbj s TYR 8 N -2.56 3.21 -0.25 4.83 2.02 -1.26 -4.78 117.35 118.56 1jbj s TYR 8 Ca 0.45 1.23 -0.04 0.00 -0.37 0.00 0.00 57.07 58.34 1jbj s TYR 8 Cb -0.10 -3.64 0.01 0.00 -0.40 0.00 0.00 41.96 37.83 1jbj s TYR 8 CO 0.41 -1.96 -0.02 0.15 -1.57 0.00 0.00 175.55 172.56 1jbj s LYS 9 N -0.40 3.15 -0.01 -0.62 1.02 -1.04 -4.87 119.74 116.97 1jbj s LYS 9 Ca 0.56 -0.78 0.04 0.00 0.02 0.00 0.00 55.97 55.81 1jbj s LYS 9 Cb -0.38 -3.08 -0.03 0.00 -0.52 0.00 0.00 37.83 33.82 1jbj s LYS 9 CO 0.41 -0.31 -0.13 0.08 -0.92 0.00 0.00 175.35 174.47 1jbj s VAL 10 N 1.44 3.13 -0.20 3.17 1.01 -1.25 0.90 120.40 128.59 1jbj s VAL 10 Ca 0.03 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 1jbj s VAL 10 Cb -0.16 -2.29 0.08 0.00 0.00 0.00 0.00 36.38 34.02 1jbj s VAL 10 CO -0.02 0.47 0.46 -0.44 0.00 0.00 0.00 175.10 175.57 1jbj s SER 11 N -1.10 -0.49 -0.17 3.32 0.01 -0.67 -4.95 113.70 109.65 1jbj s SER 11 Ca 0.14 1.05 -0.26 0.00 1.31 0.00 0.00 55.95 58.19 1jbj s SER 11 Cb -0.11 1.20 -0.01 0.00 0.21 0.00 0.00 66.02 67.31 1jbj s SER 11 CO 0.04 -0.22 0.87 -0.63 0.41 0.00 0.00 173.24 173.71 1jbj s ILE 12 N 2.07 4.85 -0.30 1.44 1.01 -1.26 -0.94 121.20 128.07 1jbj s ILE 12 Ca -0.06 1.72 0.02 0.00 0.00 0.00 0.00 60.65 62.33 1jbj s ILE 12 Cb -0.10 -4.17 0.08 0.00 0.01 0.00 0.00 42.46 38.28 1jbj s ILE 12 CO -0.14 0.00 0.01 -0.44 0.00 0.00 0.00 174.94 174.38 1jbj s SER 13 N 1.16 4.38 -0.98 3.58 0.01 0.69 -4.86 113.70 117.69 1jbj s SER 13 Ca 0.40 -1.73 -0.12 0.00 1.31 0.00 0.00 55.95 55.81 1jbj s SER 13 Cb -0.17 -1.38 -0.00 0.00 0.21 0.00 0.00 66.02 64.68 1jbj s SER 13 CO 0.12 -0.32 0.72 0.61 0.41 0.00 0.00 173.24 174.78 1jbj n GLY 14 N 4.48 -1.13 2.78 3.44 0.00 -1.26 -0.95 105.19 112.55 1jbj n GLY 14 Ca -0.03 0.49 -0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -3.32 0.00 -4.55 2.61 -1.04 -1.26 -4.86 114.28 101.86 1jbj n THR 15 Ca -0.14 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.56 1jbj n THR 15 Cb 0.60 -0.78 -0.17 0.00 -1.82 0.00 0.00 70.33 68.16 1jbj n THR 15 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1jbj s SER 16 N -2.00 2.83 0.28 8.00 0.01 -0.13 0.33 113.70 123.02 1jbj s SER 16 Ca 0.00 -0.53 -0.11 0.00 1.31 0.00 0.00 55.95 56.61 1jbj s SER 16 Cb 0.00 -1.30 -0.08 0.00 0.21 0.00 0.00 66.02 64.86 1jbj s SER 16 CO 0.00 0.05 0.64 -0.69 0.41 0.00 0.00 173.24 173.64 1jbj s VAL 17 N 0.92 4.83 -0.25 3.43 1.01 0.29 0.25 120.40 130.88 1jbj s VAL 17 Ca -0.06 0.64 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 1jbj s VAL 17 Cb -0.15 -3.63 0.08 0.00 0.00 0.00 0.00 36.38 32.68 1jbj s VAL 17 CO -0.02 -0.16 0.09 -0.70 0.00 0.00 0.00 175.10 174.31 1jbj s GLU 18 N -2.99 0.39 0.19 2.72 2.12 -0.12 0.14 118.70 121.16 1jbj s GLU 18 Ca 0.50 -0.55 -0.10 0.00 0.36 0.00 0.00 54.97 55.19 1jbj s GLU 18 Cb -0.11 -1.70 -0.07 0.00 0.26 0.00 0.00 34.13 32.52 1jbj s GLU 18 CO 0.21 -0.86 0.51 -0.51 -0.54 0.00 0.00 175.26 174.07 1jbj s LEU 19 N 1.94 4.22 -0.28 2.70 1.43 0.29 -1.68 118.68 127.31 1jbj s LEU 19 Ca 0.06 0.88 0.03 0.00 -1.03 0.00 0.00 54.13 54.07 1jbj s LEU 19 Cb -0.17 -3.50 0.07 0.00 0.03 0.00 0.00 46.19 42.63 1jbj s LEU 19 CO -0.22 -0.01 -0.06 -0.89 0.23 0.00 0.00 176.35 175.40 1jbj s THR 20 N -1.70 2.17 0.17 5.49 2.01 0.26 -0.73 115.64 123.31 1jbj s THR 20 Ca 0.44 -1.82 -0.25 0.00 0.31 0.00 0.00 61.69 60.36 1jbj s THR 20 Cb -0.12 -2.37 -0.08 0.00 0.01 0.00 0.00 72.50 69.93 1jbj s THR 20 CO 0.21 -0.20 0.79 0.00 -0.69 0.00 0.00 174.62 174.73 1jbj n PRO 22 N 1.54 0.90 -4.32 0.00 -0.04 -1.26 -4.72 135.00 127.10 1jbj n PRO 22 Ca -0.05 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.08 1jbj n PRO 22 Cb 0.49 -1.38 -0.16 0.00 -0.04 0.00 0.00 33.50 32.40 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 0.00 2.18 0.45 1.53 1.43 -1.26 -4.79 118.68 118.23 1jbj s LEU 23 Ca 0.00 -0.61 -0.21 0.00 -1.03 0.00 0.00 54.13 52.28 1jbj s LEU 23 Cb 0.00 -1.49 -0.12 0.00 0.03 0.00 0.00 46.19 44.61 1jbj s LEU 23 CO 0.00 0.03 0.46 0.47 0.23 0.00 0.00 176.35 177.54 1jbj n ASP 24 N 4.41 -1.27 -4.56 2.29 8.00 -1.26 -4.54 116.55 119.62 1jbj n ASP 24 Ca -0.20 0.85 -0.41 0.00 0.71 0.00 0.00 54.79 55.74 1jbj n ASP 24 Cb 0.51 -1.09 -0.03 0.00 -0.02 0.00 0.00 41.12 40.49 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 -1.00 6.37 0.51 -2.24 1.04 -1.26 -4.79 113.70 112.33 1jbj s SER 25 Ca 0.63 -1.07 -0.00 0.00 0.48 0.00 0.00 55.95 55.99 1jbj s SER 25 Cb -0.57 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.00 1jbj s SER 25 CO 0.58 -1.64 0.74 -1.81 0.98 0.00 0.00 173.24 172.10 1jbj s ASP 26 N 4.52 5.58 0.00 7.02 1.01 -1.26 -4.87 116.67 128.67 1jbj s ASP 26 Ca 0.42 0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.91 1jbj s ASP 26 Cb -0.03 -1.30 0.00 0.00 1.01 0.00 0.00 42.92 42.60 1jbj s ASP 26 CO -0.01 -0.92 0.98 1.21 0.21 0.00 0.00 175.17 176.64 1jbj n GLU 27 N -2.25 0.88 -0.48 8.23 2.13 -1.26 -2.38 120.64 125.51 1jbj n GLU 27 Ca 0.04 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.85 1jbj n GLU 27 Cb 0.58 -1.06 -0.01 0.00 0.27 0.00 0.00 31.44 31.23 1jbj n GLU 27 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1jbj n ASN 28 N 0.68 -0.10 -4.73 4.31 3.02 -1.26 -5.06 115.26 112.12 1jbj n ASN 28 Ca 0.00 -0.93 -0.41 0.00 -0.03 0.00 0.00 54.58 53.21 1jbj n ASN 28 Cb 0.44 0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.59 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 4.47 0.25 3.41 2.96 -1.00 -4.26 118.68 124.51 1jbj s LEU 29 Ca 0.00 1.70 0.07 0.00 -0.22 0.00 0.00 54.13 55.68 1jbj s LEU 29 Cb 0.00 -3.51 -0.05 0.00 0.50 0.00 0.00 46.19 43.13 1jbj s LEU 29 CO 0.00 -0.07 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.34 1jbj s LYS 30 N 0.11 1.47 0.39 1.98 1.02 -0.86 -3.19 119.74 120.66 1jbj s LYS 30 Ca 0.46 -1.72 0.04 0.00 0.02 0.00 0.00 55.97 54.76 1jbj s LYS 30 Cb -0.22 -1.11 -0.04 0.00 -0.52 0.00 0.00 37.83 35.93 1jbj s LYS 30 CO 0.28 0.07 0.08 -1.58 -0.92 0.00 0.00 175.35 173.28 1jbj s TRP 31 N -3.02 1.90 -0.11 3.18 0.52 -1.16 -2.43 118.94 117.81 1jbj s TRP 31 Ca 0.27 -1.09 -0.12 0.00 0.02 0.00 0.00 56.10 55.19 1jbj s TRP 31 Cb 0.02 -1.29 0.03 0.00 -1.15 0.00 0.00 33.47 31.08 1jbj s TRP 31 CO 0.10 -0.08 0.32 -2.00 0.02 0.00 0.00 176.95 175.32 1jbj s GLU 32 N -3.80 0.41 -0.07 4.98 2.12 -0.51 -0.80 118.70 121.02 1jbj s GLU 32 Ca 0.27 0.39 0.01 0.00 0.36 0.00 0.00 54.97 55.99 1jbj s GLU 32 Cb 0.05 0.20 0.02 0.00 0.26 0.00 0.00 34.13 34.66 1jbj s GLU 32 CO 0.14 -0.06 -0.07 0.21 -0.54 0.00 0.00 175.26 174.94 1jbj s LYS 33 N 0.03 1.22 0.00 4.30 2.36 0.63 -2.15 119.74 126.13 1jbj s LYS 33 Ca -0.01 -0.20 0.00 0.00 -2.55 0.00 0.00 55.97 53.21 1jbj s LYS 33 Cb -0.03 -1.20 0.00 0.00 -1.05 0.00 0.00 37.83 35.55 1jbj s LYS 33 CO 0.01 -0.13 0.00 -1.71 1.55 0.00 0.00 175.35 175.07 1jbj n ASN 34 N 4.36 0.00 -0.57 1.43 5.15 0.33 -1.40 115.26 124.55 1jbj n ASN 34 Ca -0.19 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.79 1jbj n ASN 34 Cb 0.51 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.75 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 0.77 3.14 8.20 0.00 -1.26 -4.78 105.19 111.26 1jbj n GLY 35 Ca 0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 1jbj n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jbj s GLN 36 N 0.00 0.74 -0.16 1.61 -1.52 -0.50 -5.14 119.66 114.69 1jbj s GLN 36 Ca 0.02 -0.98 -0.11 0.00 -1.95 0.00 0.00 55.36 52.33 1jbj s GLN 36 Cb 0.02 -0.55 -0.05 0.00 -0.22 0.00 0.00 33.01 32.21 1jbj s GLN 36 CO -0.01 0.10 0.20 -1.83 -0.25 0.00 0.00 175.29 173.51 1jbj s GLU 37 N -2.13 4.06 -0.42 2.91 1.03 -1.26 -0.27 118.70 122.63 1jbj s GLU 37 Ca -0.01 -0.06 -0.09 0.00 0.03 0.00 0.00 54.97 54.84 1jbj s GLU 37 Cb -0.07 -3.37 0.08 0.00 -0.80 0.00 0.00 34.13 29.97 1jbj s GLU 37 CO 0.01 0.39 0.25 -0.51 -1.33 0.00 0.00 175.26 174.07 1jbj s LEU 38 N 0.06 5.14 0.00 1.83 1.43 0.02 -4.96 118.68 122.19 1jbj s LEU 38 Ca 0.13 -1.54 -0.09 0.00 -1.03 0.00 0.00 54.13 51.60 1jbj s LEU 38 Cb -0.12 -1.97 0.13 0.00 0.03 0.00 0.00 46.19 44.26 1jbj s LEU 38 CO 0.02 -0.53 0.64 -0.81 0.23 0.00 0.00 176.35 175.90 1jbj n PRO 39 N 4.89 -1.18 -2.16 1.29 -0.04 -1.26 -3.00 135.00 133.54 1jbj n PRO 39 Ca -0.10 -1.00 -0.21 0.00 -0.04 0.00 0.00 63.50 62.16 1jbj n PRO 39 Cb 0.43 -0.75 -0.03 0.00 -0.04 0.00 0.00 33.50 33.10 1jbj n PRO 39 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1jbj n GLN 40 N -2.72 -1.60 -3.49 0.54 3.00 -1.26 -4.92 117.38 106.94 1jbj n GLN 40 Ca 0.08 1.08 -0.27 0.00 -0.01 0.00 0.00 57.00 57.88 1jbj n GLN 40 Cb 0.30 -5.65 -0.09 0.00 0.00 0.00 0.00 30.24 24.80 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 -2.82 2.33 -0.99 -1.09 4.76 -1.26 -4.92 118.16 114.19 1jbj n LYS 41 Ca -0.24 -4.58 -0.18 0.00 -2.87 0.00 0.00 58.31 50.45 1jbj n LYS 41 Cb 0.69 -2.22 0.01 0.00 -1.84 0.00 0.00 35.03 31.67 1jbj n LYS 41 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1jbj n HIS 42 N 1.05 1.45 -4.53 2.13 1.44 -1.19 -3.81 115.22 111.76 1jbj n HIS 42 Ca 0.28 -1.92 -0.28 0.00 -2.01 0.00 0.00 57.72 53.80 1jbj n HIS 42 Cb 0.41 -1.03 -0.13 0.00 0.12 0.00 0.00 29.99 29.35 1jbj n HIS 42 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1jbj s ASP 43 N 0.32 2.98 0.16 4.39 2.15 -1.26 -4.31 116.67 121.10 1jbj s ASP 43 Ca 0.36 -0.66 -0.03 0.00 0.43 0.00 0.00 52.55 52.64 1jbj s ASP 43 Cb 0.26 -0.22 0.01 0.00 -0.30 0.00 0.00 42.92 42.68 1jbj s ASP 43 CO -0.04 0.17 1.40 0.50 -0.17 0.00 0.00 175.17 177.03 1jbj h LYS 44 N 4.30 0.47 -4.82 4.34 3.64 -1.87 -3.42 116.57 119.21 1jbj h LYS 44 Ca -0.48 -0.39 -0.67 0.00 -1.27 0.00 0.00 60.65 57.84 1jbj h LYS 44 Cb 1.16 0.08 -0.24 0.00 -0.41 0.00 0.00 32.23 32.82 1jbj h LYS 44 CO 0.41 1.03 -0.60 -3.38 -2.27 0.00 0.00 179.45 174.63 1jbj s HIS 45 N -3.61 3.14 -0.08 1.91 -3.43 -1.26 -0.67 115.29 111.29 1jbj s HIS 45 Ca -0.06 -0.76 -0.19 0.00 -0.80 0.00 0.00 55.06 53.24 1jbj s HIS 45 Cb 0.10 -2.28 -0.05 0.00 -1.43 0.00 0.00 32.58 28.92 1jbj s HIS 45 CO 0.85 -0.51 0.52 -1.17 -2.00 0.00 0.00 174.74 172.44 1jbj s LEU 46 N 1.55 4.33 -0.07 5.38 2.96 0.09 -4.85 118.68 128.08 1jbj s LEU 46 Ca 0.04 0.94 -0.01 0.00 -0.22 0.00 0.00 54.13 54.88 1jbj s LEU 46 Cb -0.17 -2.77 -0.03 0.00 0.50 0.00 0.00 46.19 43.72 1jbj s LEU 46 CO 0.04 0.04 0.00 -0.69 -1.32 0.00 0.00 176.35 174.42 1jbj s VAL 47 N 0.30 4.28 -0.46 1.68 1.01 -1.26 0.10 120.40 126.05 1jbj s VAL 47 Ca 0.28 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1jbj s VAL 47 Cb -0.16 -2.82 0.12 0.00 0.00 0.00 0.00 36.38 33.52 1jbj s VAL 47 CO 0.13 0.56 0.20 -0.76 0.00 0.00 0.00 175.10 175.23 1jbj s LEU 48 N -1.03 4.59 -0.12 3.92 1.43 0.38 -4.93 118.68 122.92 1jbj s LEU 48 Ca 0.15 -2.67 -0.29 0.00 -1.03 0.00 0.00 54.13 50.28 1jbj s LEU 48 Cb -0.11 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1jbj s LEU 48 CO 0.04 -0.31 1.06 -1.10 0.23 0.00 0.00 176.35 176.27 1jbj s GLN 49 N 0.20 4.37 -0.30 1.70 -0.21 -1.26 0.10 119.66 124.26 1jbj s GLN 49 Ca 0.15 1.45 -0.00 0.00 0.02 0.00 0.00 55.36 56.97 1jbj s GLN 49 Cb -0.23 -3.57 -0.00 0.00 1.00 0.00 0.00 33.01 30.20 1jbj s GLN 49 CO -0.03 -0.41 0.28 -3.47 -2.12 0.00 0.00 175.29 169.54 1jbj n ASP 50 N 5.35 -4.15 -4.73 5.90 2.03 0.15 -4.96 116.55 116.14 1jbj n ASP 50 Ca 0.10 -0.07 -0.32 0.00 0.52 0.00 0.00 54.79 55.01 1jbj n ASP 50 Cb 0.48 -2.59 0.10 0.00 -0.72 0.00 0.00 41.12 38.38 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 -3.03 2.22 -0.39 -0.67 5.36 -1.15 -5.01 117.98 115.31 1jbj s PHE 51 Ca 0.03 1.62 0.01 0.00 -0.96 0.00 0.00 56.93 57.63 1jbj s PHE 51 Cb -0.00 -3.27 0.13 0.00 -0.34 0.00 0.00 43.02 39.54 1jbj s PHE 51 CO 0.29 -2.23 0.20 -1.12 -1.46 0.00 0.00 175.22 170.90 1jbj s SER 52 N -2.64 3.52 0.49 6.13 0.01 -1.26 -4.66 113.70 115.28 1jbj s SER 52 Ca 0.68 -2.30 0.16 0.00 1.31 0.00 0.00 55.95 55.80 1jbj s SER 52 Cb -0.23 -0.81 1.18 0.00 0.21 0.00 0.00 66.02 66.38 1jbj s SER 52 CO 0.50 -0.31 2.08 -0.08 0.41 0.00 0.00 173.24 175.84 1jbj h GLU 53 N 7.09 0.00 -0.32 12.44 4.81 -1.90 -1.51 114.58 135.20 1jbj h GLU 53 Ca -0.02 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1jbj h GLU 53 Cb 0.96 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 1jbj h GLU 53 CO 0.42 0.08 0.21 0.28 -0.73 0.00 0.00 179.01 179.27 1jbj h VAL 54 N 0.00 1.06 -0.01 0.32 2.07 -1.93 -0.73 116.25 117.03 1jbj h VAL 54 Ca -0.00 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1jbj h VAL 54 Cb 0.15 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1jbj h VAL 54 CO 0.01 0.07 0.14 -0.33 0.02 0.00 0.00 177.57 177.48 1jbj h GLU 55 N 0.40 0.00 -2.67 1.57 4.39 -1.70 -3.46 114.58 113.12 1jbj h GLU 55 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1jbj h GLU 55 Cb -0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1jbj h GLU 55 CO -0.03 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.57 1jbj n ASP 56 N -3.06 -1.78 -0.53 1.42 8.00 -0.28 -4.95 116.55 115.38 1jbj n ASP 56 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1jbj n ASP 56 Cb 0.20 -0.89 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 1jbj n ASP 56 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1jbj n SER 57 N -0.79 -3.85 -3.22 -2.24 3.41 -1.26 -4.95 113.62 100.73 1jbj n SER 57 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 1jbj n SER 57 Cb 0.35 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.26 1jbj n SER 57 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1jbj s GLY 58 N -4.07 0.14 -0.04 5.00 0.00 -0.94 -4.98 107.32 102.44 1jbj s GLY 58 Ca 0.00 3.47 -0.30 0.00 0.00 0.00 0.00 44.72 47.89 1jbj s GLY 58 CO 0.00 3.43 1.27 -0.19 0.00 0.00 0.00 173.10 177.61 1jbj s TYR 59 N 2.24 3.05 0.14 1.90 1.51 -1.26 -2.74 117.35 122.20 1jbj s TYR 59 Ca -0.01 1.07 0.11 0.00 -1.01 0.00 0.00 57.07 57.23 1jbj s TYR 59 Cb -0.03 -3.51 -0.04 0.00 -0.11 0.00 0.00 41.96 38.28 1jbj s TYR 59 CO -0.15 -1.71 -0.26 0.71 -1.11 0.00 0.00 175.55 173.03 1jbj s TYR 60 N 2.36 2.32 0.07 2.71 1.51 -0.83 -0.51 117.35 124.98 1jbj s TYR 60 Ca 0.58 -0.37 -0.14 0.00 -1.01 0.00 0.00 57.07 56.13 1jbj s TYR 60 Cb -0.27 -1.23 0.02 0.00 -0.11 0.00 0.00 41.96 40.37 1jbj s TYR 60 CO 0.23 0.38 0.34 0.54 -1.11 0.00 0.00 175.55 175.92 1jbj s VAL 61 N -1.20 0.08 -0.02 0.71 0.11 -0.92 -1.65 120.40 117.52 1jbj s VAL 61 Ca 0.16 -0.68 -0.03 0.00 -2.93 0.00 0.00 61.98 58.49 1jbj s VAL 61 Cb -0.10 -1.07 0.00 0.00 -1.53 0.00 0.00 36.38 33.69 1jbj s VAL 61 CO 0.07 -0.38 0.08 0.00 -3.33 0.00 0.00 175.10 171.54 1jbj s TYR 63 N -0.37 -0.37 0.18 0.00 -0.85 -1.02 -4.59 117.35 110.34 1jbj s TYR 63 Ca -0.04 0.43 0.07 0.00 -0.52 0.00 0.00 57.07 57.00 1jbj s TYR 63 Cb -0.03 0.28 -0.05 0.00 0.38 0.00 0.00 41.96 42.55 1jbj s TYR 63 CO 0.00 -0.59 -0.13 0.95 -1.52 0.00 0.00 175.55 174.26 1jbj s THR 64 N -2.24 1.57 0.19 -3.49 -4.23 -0.45 -2.03 115.64 104.96 1jbj s THR 64 Ca -0.07 -2.14 -0.13 0.00 -1.18 0.00 0.00 61.69 58.17 1jbj s THR 64 Cb -0.01 -1.97 0.12 0.00 1.34 0.00 0.00 72.50 71.98 1jbj s THR 64 CO -0.00 -0.62 1.71 -0.65 -0.54 0.00 0.00 174.62 174.51 1jbj h PRO 65 N 2.67 0.22 0.00 3.99 0.11 -2.01 -0.95 132.00 136.03 1jbj h PRO 65 Ca -0.38 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.65 1jbj h PRO 65 Cb 1.21 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1jbj h PRO 65 CO 0.62 0.14 -0.33 0.00 -0.21 0.00 0.00 178.00 178.22 1jbj h ALA 66 N 1.40 0.99 -3.57 -0.75 0.00 -1.97 -3.39 119.26 111.97 1jbj h ALA 66 Ca 0.26 -0.30 -0.64 0.00 0.00 0.00 0.00 54.91 54.23 1jbj h ALA 66 Cb 0.35 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 17.69 1jbj h ALA 66 CO -0.34 0.41 -0.73 0.45 0.00 0.00 0.00 179.25 179.03 1jbj s SER 67 N -6.36 4.54 -0.48 0.00 0.15 -0.37 -4.98 113.70 106.20 1jbj s SER 67 Ca 0.00 -1.96 -0.02 0.00 0.70 0.00 0.00 55.95 54.68 1jbj s SER 67 Cb 0.10 -1.43 0.25 0.00 -1.71 0.00 0.00 66.02 63.24 1jbj s SER 67 CO 0.67 -0.37 2.19 -3.20 1.20 0.00 0.00 173.24 173.73 1jbj n ASN 68 N 4.42 6.88 -4.79 5.45 5.15 -1.21 -1.33 115.26 129.82 1jbj n ASN 68 Ca 0.01 -3.34 -0.39 0.00 -0.60 0.00 0.00 54.58 50.26 1jbj n ASN 68 Cb 0.42 -1.08 -0.06 0.00 -0.53 0.00 0.00 39.78 38.53 1jbj n ASN 68 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1jbj s LYS 69 N -2.49 4.22 -0.20 1.20 -0.14 -1.26 -5.05 119.74 116.02 1jbj s LYS 69 Ca 0.47 0.67 -0.07 0.00 -1.36 0.00 0.00 55.97 55.68 1jbj s LYS 69 Cb 0.36 -3.30 -0.04 0.00 -1.68 0.00 0.00 37.83 33.17 1jbj s LYS 69 CO -0.09 0.49 0.07 -0.80 -0.76 0.00 0.00 175.35 174.26 1jbj s ASN 70 N -0.58 5.53 -0.28 2.83 -0.87 -1.26 -4.62 114.94 115.70 1jbj s ASN 70 Ca 0.29 0.02 -0.02 0.00 -1.57 0.00 0.00 52.86 51.58 1jbj s ASN 70 Cb -0.18 -1.96 0.09 0.00 -0.02 0.00 0.00 41.25 39.18 1jbj s ASN 70 CO 0.17 0.13 0.09 -0.89 -2.57 0.00 0.00 177.10 174.03 1jbj s THR 71 N 0.65 0.57 -0.44 1.60 2.01 -1.26 -5.10 115.64 113.66 1jbj s THR 71 Ca 0.03 -1.05 -0.24 0.00 0.31 0.00 0.00 61.69 60.75 1jbj s THR 71 Cb -0.13 -1.36 0.02 0.00 0.01 0.00 0.00 72.50 71.05 1jbj s THR 71 CO 0.02 -0.58 0.81 -0.31 -0.69 0.00 0.00 174.62 173.87 1jbj s TYR 72 N 1.79 2.99 0.18 4.92 2.02 -1.26 -4.30 117.35 123.68 1jbj s TYR 72 Ca 0.07 0.25 0.06 0.00 -0.37 0.00 0.00 57.07 57.07 1jbj s TYR 72 Cb -0.17 -3.70 -0.04 0.00 -0.40 0.00 0.00 41.96 37.66 1jbj s TYR 72 CO -0.24 -0.98 0.13 -0.48 -1.57 0.00 0.00 175.55 172.41 1jbj s LEU 73 N 3.36 3.76 -0.18 -1.29 0.05 -0.66 -4.28 118.68 119.44 1jbj s LEU 73 Ca 0.31 -0.18 -0.02 0.00 0.05 0.00 0.00 54.13 54.29 1jbj s LEU 73 Cb -0.12 -2.35 -0.01 0.00 -2.05 0.00 0.00 46.19 41.66 1jbj s LEU 73 CO 0.23 0.05 -0.10 -0.47 -0.55 0.00 0.00 176.35 175.51 1jbj s TYR 74 N -1.83 2.87 -0.22 3.48 5.04 0.53 -1.96 117.35 125.27 1jbj s TYR 74 Ca 0.31 -0.92 -0.05 0.00 -2.44 0.00 0.00 57.07 53.96 1jbj s TYR 74 Cb -0.10 -1.97 -0.02 0.00 0.35 0.00 0.00 41.96 40.22 1jbj s TYR 74 CO 0.23 -0.45 0.01 -1.17 -1.34 0.00 0.00 175.55 172.83 1jbj s LEU 75 N 1.00 3.23 -0.22 6.97 0.20 -1.11 -1.87 118.68 126.89 1jbj s LEU 75 Ca -0.01 -0.25 -0.04 0.00 0.69 0.00 0.00 54.13 54.53 1jbj s LEU 75 Cb -0.15 -1.84 0.07 0.00 -0.43 0.00 0.00 46.19 43.85 1jbj s LEU 75 CO -0.01 0.01 0.08 -0.54 -0.29 0.00 0.00 176.35 175.60 1jbj s LYS 76 N 1.30 0.37 0.34 1.98 -0.14 -0.06 -2.20 119.74 121.32 1jbj s LYS 76 Ca 0.04 -0.41 -0.14 0.00 -1.36 0.00 0.00 55.97 54.10 1jbj s LYS 76 Cb -0.15 -1.81 0.03 0.00 -1.68 0.00 0.00 37.83 34.23 1jbj s LYS 76 CO 0.01 -0.77 0.68 0.00 -0.76 0.00 0.00 175.35 174.51 1jbj s ALA 77 N 1.97 -0.50 0.08 5.17 0.00 -1.26 -3.76 121.76 123.47 1jbj s ALA 77 Ca 0.03 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.20 1jbj s ALA 77 Cb -0.17 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 1jbj s ALA 77 CO -0.16 -0.94 -0.09 0.50 0.00 0.00 0.00 175.76 175.06 1jbj s ARG 78 N -3.01 0.77 0.26 0.00 3.52 -1.26 -4.11 118.95 115.12 1jbj s ARG 78 Ca 0.18 -1.10 -0.21 0.00 -0.13 0.00 0.00 55.73 54.47 1jbj s ARG 78 Cb -0.04 -0.41 0.03 0.00 -1.56 0.00 0.00 34.95 32.97 1jbj s ARG 78 CO 0.12 0.05 0.71 0.14 -0.81 0.00 0.00 175.30 175.51 1jbj s VAL 79 N -2.45 0.00 0.00 7.11 -7.23 -1.26 -5.03 120.40 111.54 1jbj s VAL 79 Ca 0.03 -0.83 0.00 0.00 -1.81 0.00 0.00 61.98 59.37 1jbj s VAL 79 Cb -0.03 -1.84 0.00 0.00 0.56 0.00 0.00 36.38 35.07 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 -0.45 -2.93 2.52 2.32 0.00 -1.26 -4.86 105.19 100.53 1jbj n GLY 80 Ca -0.06 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.80 1jbj n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jbj n SER 81 N -0.39 3.15 -3.85 1.61 7.64 -1.26 -4.70 113.62 115.83 1jbj n SER 81 Ca 0.00 -3.12 -0.28 0.00 1.01 0.00 0.00 58.87 56.48 1jbj n SER 81 Cb 0.00 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1jbj n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jbj n ALA 82 N -0.39 -2.79 -0.07 -0.43 0.00 -1.26 -4.52 120.51 111.05 1jbj n ALA 82 Ca 0.25 -0.33 -0.00 0.00 0.00 0.00 0.00 53.44 53.36 1jbj n ALA 82 Cb 0.79 -0.95 -0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 -2.57 0.65 0.03 0.00 2.03 -1.26 -4.20 116.55 111.24 1jbj n ASP 83 Ca -0.30 -1.26 -0.01 0.00 0.52 0.00 0.00 54.79 53.74 1jbj n ASP 83 Cb 0.68 -0.15 -0.01 0.00 -0.72 0.00 0.00 41.12 40.93 1jbj n ASP 83 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1jbj h ASP 84 N 4.02 -0.07 -3.63 1.67 3.58 -2.05 -3.48 116.42 116.45 1jbj h ASP 84 Ca 0.00 0.00 0.14 0.00 0.42 0.00 0.00 57.03 57.60 1jbj h ASP 84 Cb 0.14 0.02 -0.25 0.00 1.72 0.00 0.00 39.33 40.95 1jbj h ASP 84 CO 0.09 -0.04 0.70 0.00 -2.88 0.00 0.00 179.24 177.11 1jbj s ALA 85 N -3.18 -2.01 -0.06 -0.78 0.00 -1.26 -5.17 121.76 109.30 1jbj s ALA 85 Ca -0.01 1.72 0.03 0.00 0.00 0.00 0.00 51.96 53.69 1jbj s ALA 85 Cb 0.00 -1.08 0.01 0.00 0.00 0.00 0.00 23.12 22.05 1jbj s ALA 85 CO 0.04 -0.27 -0.14 0.21 0.00 0.00 0.00 175.76 175.60 1jbj s LYS 86 N -0.95 1.74 0.34 0.00 2.47 -1.26 -5.02 119.74 117.04 1jbj s LYS 86 Ca 0.03 -0.49 0.04 0.00 -1.56 0.00 0.00 55.97 53.98 1jbj s LYS 86 Cb -0.01 -1.45 0.60 0.00 -1.46 0.00 0.00 37.83 35.51 1jbj s LYS 86 CO -0.03 0.11 1.90 0.87 0.16 0.00 0.00 175.35 178.35 1jbj h LYS 87 N 6.69 0.60 -3.37 4.03 1.79 -2.05 -3.49 116.57 120.77 1jbj h LYS 87 Ca -0.31 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 1jbj h LYS 87 Cb 1.19 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1jbj h LYS 87 CO 0.48 0.56 -0.87 -3.47 -1.08 0.00 0.00 179.45 175.07 1jbj n ASP 88 N -4.31 -7.69 -3.14 0.86 2.03 -1.26 -4.91 116.55 98.12 1jbj n ASP 88 Ca 0.02 1.59 -0.06 0.00 0.52 0.00 0.00 54.79 56.86 1jbj n ASP 88 Cb 0.21 -4.45 0.03 0.00 -0.72 0.00 0.00 41.12 36.18 1jbj n ASP 88 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jbj n ALA 89 N -2.21 -2.50 -2.21 -1.67 0.00 -1.26 -5.05 120.51 105.61 1jbj n ALA 89 Ca 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 1jbj n ALA 89 Cb 0.36 -3.19 -0.10 0.00 0.00 0.00 0.00 19.45 16.52 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 -3.15 0.64 -0.23 0.00 0.00 -1.26 -5.07 121.76 112.68 1jbj s ALA 90 Ca 0.18 -1.31 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1jbj s ALA 90 Cb -0.02 0.71 0.08 0.00 0.00 0.00 0.00 23.12 23.89 1jbj s ALA 90 CO 0.75 -0.48 0.95 0.36 0.00 0.00 0.00 175.76 177.34 1jbj n LYS 91 N -0.06 0.26 -2.85 0.00 2.85 -1.26 -5.17 118.16 111.93 1jbj n LYS 91 Ca -0.08 -0.59 -0.21 0.00 -1.05 0.00 0.00 58.31 56.38 1jbj n LYS 91 Cb 0.63 0.03 0.08 0.00 -0.65 0.00 0.00 35.03 35.12 1jbj n LYS 91 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1jbj s LYS 92 N 0.04 2.05 -0.22 -1.58 1.02 -1.26 -4.89 119.74 114.90 1jbj s LYS 92 Ca 0.04 -1.43 -0.08 0.00 0.02 0.00 0.00 55.97 54.52 1jbj s LYS 92 Cb 0.09 -2.52 0.03 0.00 -0.52 0.00 0.00 37.83 34.91 1jbj s LYS 92 CO -0.02 -1.10 0.15 -0.25 -0.92 0.00 0.00 175.35 173.21 1jbj n ASP 93 N -2.48 -3.36 -3.60 2.83 8.00 -1.26 -4.93 116.55 111.75 1jbj n ASP 93 Ca 0.15 1.36 -0.34 0.00 0.71 0.00 0.00 54.79 56.67 1jbj n ASP 93 Cb 0.61 -5.12 -0.03 0.00 -0.02 0.00 0.00 41.12 36.56 1jbj n ASP 93 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1jbj n ASP 94 N 1.39 5.22 -3.64 -2.24 9.92 -1.26 -4.98 116.55 120.96 1jbj n ASP 94 Ca -0.26 -3.49 -0.08 0.00 -0.53 0.00 0.00 54.79 50.43 1jbj n ASP 94 Cb 0.41 -0.93 -0.07 0.00 -0.64 0.00 0.00 41.12 39.90 1jbj n ASP 94 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jbj s ALA 95 N -2.92 -1.92 0.53 2.24 0.00 -1.26 -5.18 121.76 113.24 1jbj s ALA 95 Ca 0.38 2.32 0.00 0.00 0.00 0.00 0.00 51.96 54.66 1jbj s ALA 95 Cb 0.13 -1.43 -0.00 0.00 0.00 0.00 0.00 23.12 21.82 1jbj s ALA 95 CO 0.01 -0.36 0.02 0.21 0.00 0.00 0.00 175.76 175.63 1jbj s LYS 96 N 1.36 2.23 0.72 0.00 2.20 -1.26 -5.16 119.74 119.84 1jbj s LYS 96 Ca -0.08 -2.43 -0.11 0.00 -0.36 0.00 0.00 55.97 52.99 1jbj s LYS 96 Cb -0.05 -1.54 0.16 0.00 -1.51 0.00 0.00 37.83 34.90 1jbj s LYS 96 CO -0.16 -0.42 0.98 0.36 -0.36 0.00 0.00 175.35 175.75 1jbj n LYS 97 N -1.33 -0.83 -3.69 4.03 0.00 -1.26 -5.11 118.16 109.97 1jbj n LYS 97 Ca -0.21 -1.65 -0.11 0.00 -0.00 0.00 0.00 58.31 56.34 1jbj n LYS 97 Cb 0.67 -0.96 -0.11 0.00 -0.00 0.00 0.00 35.03 34.62 1jbj n LYS 97 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1jbj s ASP 98 N -4.63 -0.29 1.00 -5.58 2.15 -1.26 -5.17 116.67 102.90 1jbj s ASP 98 Ca 0.57 0.81 -0.03 0.00 0.43 0.00 0.00 52.55 54.32 1jbj s ASP 98 Cb -0.02 0.84 0.05 0.00 -0.30 0.00 0.00 42.92 43.49 1jbj s ASP 98 CO 0.39 -0.20 0.27 -0.90 -0.17 0.00 0.00 175.17 174.56 1jbj n ASP 99 N 4.68 0.00 -1.10 -0.34 5.75 -1.26 -4.92 116.55 119.36 1jbj n ASP 99 Ca -0.18 -1.09 0.13 0.00 -0.01 0.00 0.00 54.79 53.64 1jbj n ASP 99 Cb 0.53 -0.21 -0.03 0.00 -1.03 0.00 0.00 41.12 40.38 1jbj n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jbj n ALA 100 N -3.18 -2.44 -2.05 2.12 0.00 -1.26 -4.22 120.51 109.48 1jbj n ALA 100 Ca -0.04 0.30 -0.39 0.00 0.00 0.00 0.00 53.44 53.30 1jbj n ALA 100 Cb 0.12 -0.84 0.03 0.00 0.00 0.00 0.00 19.45 18.76 1jbj n ALA 100 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1jbj n LYS 101 N -3.24 3.14 0.02 0.00 2.85 -1.26 -4.68 118.16 114.98 1jbj n LYS 101 Ca 0.01 -3.73 -0.02 0.00 -1.05 0.00 0.00 58.31 53.52 1jbj n LYS 101 Cb 0.43 -2.29 0.26 0.00 -0.65 0.00 0.00 35.03 32.77 1jbj n LYS 101 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1jbj h LYS 102 N 3.13 0.47 -0.86 -1.58 3.64 -1.91 -2.62 116.57 116.85 1jbj h LYS 102 Ca 0.55 -0.14 -0.46 0.00 -1.27 0.00 0.00 60.65 59.33 1jbj h LYS 102 Cb 0.11 -0.05 -0.27 0.00 -0.41 0.00 0.00 32.23 31.61 1jbj h LYS 102 CO 1.37 0.61 0.50 -0.25 -2.27 0.00 0.00 179.45 179.41 1jbj n ASP 103 N -4.19 3.77 -2.87 4.20 8.00 -1.26 -4.89 116.55 119.31 1jbj n ASP 103 Ca 0.00 -3.67 -0.21 0.00 0.71 0.00 0.00 54.79 51.63 1jbj n ASP 103 Cb 0.33 -0.80 0.04 0.00 -0.02 0.00 0.00 41.12 40.67 1jbj n ASP 103 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jbj n GLY 104 N -1.12 -0.45 3.67 0.44 0.00 -0.99 -4.95 105.19 101.79 1jbj n GLY 104 Ca 0.54 0.08 -0.41 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.76 6.99 -0.10 1.61 0.01 -1.26 -4.99 113.70 113.19 1jbj s SER 105 Ca 0.30 1.21 -0.29 0.00 1.31 0.00 0.00 55.95 58.48 1jbj s SER 105 Cb -0.13 -2.46 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 1jbj s SER 105 CO 0.37 -0.39 1.76 0.00 0.41 0.00 0.00 173.24 175.39 1jbj s GLN 106 N 2.08 3.95 -0.37 12.44 0.00 -1.26 -4.52 119.66 131.98 1jbj s GLN 106 Ca 0.39 2.09 0.04 0.00 -0.00 0.00 0.00 55.36 57.88 1jbj s GLN 106 Cb -0.17 -4.07 0.31 0.00 0.00 0.00 0.00 33.01 29.08 1jbj s GLN 106 CO 0.13 -1.13 1.27 -2.37 0.00 0.00 0.00 175.29 173.20 1jbj n THR 107 N 6.00 0.00 -4.20 3.63 5.66 -1.26 -5.12 114.28 118.99 1jbj n THR 107 Ca 0.19 -0.90 -0.09 0.00 -3.05 0.00 0.00 64.05 60.20 1jbj n THR 107 Cb 0.43 1.20 -0.02 0.00 -1.55 0.00 0.00 70.33 70.40 1jbj n THR 107 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1jbj n ASN 108 N 0.73 2.03 -4.62 1.09 4.13 -1.26 -4.96 115.26 112.41 1jbj n ASN 108 Ca -0.01 -1.64 -0.43 0.00 1.68 0.00 0.00 54.58 54.18 1jbj n ASN 108 Cb 0.73 0.16 -0.03 0.00 -1.54 0.00 0.00 39.78 39.09 1jbj n ASN 108 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1jbj n LYS 109 N -0.34 2.22 0.00 3.52 5.02 -1.26 -4.81 118.16 122.52 1jbj n LYS 109 Ca -0.05 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 1jbj n LYS 109 Cb 0.18 -3.12 0.00 0.00 -0.02 0.00 0.00 35.03 32.08 1jbj n LYS 109 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jbj n ALA 110 N 10.17 2.42 -0.04 7.82 0.00 -1.26 -5.03 120.51 134.58 1jbj n ALA 110 Ca 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.61 1jbj n ALA 110 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 1jbj n ALA 110 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jbj n LYS 111 N -1.63 0.24 -3.87 0.00 4.81 -1.26 -5.13 118.16 111.32 1jbj n LYS 111 Ca 0.00 0.10 0.01 0.00 -0.87 0.00 0.00 58.31 57.55 1jbj n LYS 111 Cb 0.00 -0.92 0.01 0.00 0.02 0.00 0.00 35.03 34.14 1jbj n LYS 111 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1jbj s ASN 112 N -6.04 -0.02 -0.30 3.14 4.22 -1.26 -4.97 114.94 109.72 1jbj s ASN 112 Ca -0.15 -0.33 -0.09 0.00 -2.14 0.00 0.00 52.86 50.15 1jbj s ASN 112 Cb 0.05 0.26 0.15 0.00 1.28 0.00 0.00 41.25 42.99 1jbj s ASN 112 CO 0.20 -0.52 0.69 -1.48 -2.04 0.00 0.00 177.10 173.96 1jbj s LEU 113 N -3.48 -1.11 0.02 3.54 0.05 -1.26 -5.08 118.68 111.36 1jbj s LEU 113 Ca 0.23 1.31 0.04 0.00 0.05 0.00 0.00 54.13 55.77 1jbj s LEU 113 Cb 0.00 2.18 -0.03 0.00 -2.05 0.00 0.00 46.19 46.29 1jbj s LEU 113 CO 0.00 -0.21 -0.09 0.54 -0.55 0.00 0.00 176.35 176.05 1jbj s VAL 114 N 2.84 3.49 0.06 1.48 0.11 -1.26 -4.21 120.40 122.91 1jbj s VAL 114 Ca -0.00 -0.90 -0.01 0.00 -2.93 0.00 0.00 61.98 58.14 1jbj s VAL 114 Cb -0.12 -2.53 -0.04 0.00 -1.53 0.00 0.00 36.38 32.16 1jbj s VAL 114 CO -0.19 0.35 -0.03 -1.58 -3.33 0.00 0.00 175.10 170.32 1jbj s GLN 115 N -1.53 0.65 0.05 1.54 -0.44 -0.91 -5.05 119.66 113.96 1jbj s GLN 115 Ca 0.17 -1.24 0.00 0.00 -2.50 0.00 0.00 55.36 51.79 1jbj s GLN 115 Cb -0.11 0.18 -0.03 0.00 -1.64 0.00 0.00 33.01 31.41 1jbj s GLN 115 CO 0.08 -0.11 -0.04 0.14 0.50 0.00 0.00 175.29 175.86 1jbj s VAL 116 N -3.91 0.29 0.03 1.34 -7.23 -1.26 0.16 120.40 109.82 1jbj s VAL 116 Ca 0.08 -1.46 -0.00 0.00 -1.81 0.00 0.00 61.98 58.79 1jbj s VAL 116 Cb 0.08 -1.05 -0.04 0.00 0.56 0.00 0.00 36.38 35.93 1jbj s VAL 116 CO -0.09 -0.75 0.13 -0.62 -0.31 0.00 0.00 175.10 173.46 1jbj s ASP 117 N -2.33 5.96 0.00 4.85 2.15 0.29 -4.88 116.67 122.71 1jbj s ASP 117 Ca -0.01 0.18 0.00 0.00 0.43 0.00 0.00 52.55 53.15 1jbj s ASP 117 Cb -0.00 -1.76 0.00 0.00 -0.30 0.00 0.00 42.92 40.86 1jbj s ASP 117 CO -0.05 0.22 0.53 0.61 -0.17 0.00 0.00 175.17 176.32 1jbj n GLY 118 N 0.76 0.45 2.57 2.66 0.00 -1.26 -1.92 105.19 108.46 1jbj n GLY 118 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 -2.00 -1.15 1.61 7.64 -1.26 -4.78 113.62 113.68 1jbj n SER 119 Ca 0.00 -2.70 0.08 0.00 1.01 0.00 0.00 58.87 57.26 1jbj n SER 119 Cb 0.55 0.67 0.28 0.00 -1.01 0.00 0.00 64.21 64.70 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 2.75 3.38 0.00 1.43 5.12 -1.26 -4.96 116.66 123.11 1jbj n ARG 120 Ca 0.23 -2.71 0.00 0.00 -1.93 0.00 0.00 57.85 53.44 1jbj n ARG 120 Cb 0.53 -1.77 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 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 0.36 2.96 0.07 -0.13 0.00 -1.26 -4.64 105.19 102.55 1jbj n GLY 121 Ca 0.21 -0.78 0.05 0.00 0.00 0.00 0.00 46.02 45.50 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 1.75 0.45 0.00 1.61 9.92 -1.26 -4.98 116.55 124.05 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 0.97 0.00 0.00 -0.64 0.00 0.00 41.12 41.45 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 1.34 1.92 3.66 0.44 0.00 -1.26 -4.75 105.19 106.54 1jbj n GLY 123 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1jbj n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jbj s SER 124 N -2.00 6.98 -0.19 1.61 0.01 -1.26 -0.32 113.70 118.52 1jbj s SER 124 Ca 0.00 1.21 -0.24 0.00 1.31 0.00 0.00 55.95 58.24 1jbj s SER 124 Cb 0.00 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 1jbj s SER 124 CO 0.00 -0.52 0.76 -0.69 0.41 0.00 0.00 173.24 173.20 1jbj s VAL 125 N 2.68 4.92 -0.30 3.43 1.01 -1.21 -4.28 120.40 126.64 1jbj s VAL 125 Ca 0.39 1.47 0.02 0.00 0.00 0.00 0.00 61.98 63.86 1jbj s VAL 125 Cb -0.16 -4.07 0.09 0.00 0.00 0.00 0.00 36.38 32.24 1jbj s VAL 125 CO 0.09 0.03 0.03 -0.76 0.00 0.00 0.00 175.10 174.49 1jbj s LEU 126 N 2.21 3.55 0.07 3.92 1.43 -0.81 -2.50 118.68 126.56 1jbj s LEU 126 Ca 0.34 -1.75 -0.31 0.00 -1.03 0.00 0.00 54.13 51.39 1jbj s LEU 126 Cb -0.16 -1.33 -0.06 0.00 0.03 0.00 0.00 46.19 44.67 1jbj s LEU 126 CO 0.11 -0.34 1.20 -0.76 0.23 0.00 0.00 176.35 176.79 1jbj s LEU 127 N 1.20 4.38 -0.12 1.79 1.43 -0.35 0.11 118.68 127.12 1jbj s LEU 127 Ca 0.05 2.04 -0.03 0.00 -1.03 0.00 0.00 54.13 55.17 1jbj s LEU 127 Cb -0.19 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 1jbj s LEU 127 CO -0.12 -0.46 -0.02 0.42 0.23 0.00 0.00 176.35 176.40 1jbj s THR 128 N 0.94 4.08 0.00 5.49 -4.23 0.41 0.18 115.64 122.52 1jbj s THR 128 Ca 0.58 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 1jbj s THR 128 Cb -0.30 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 70.79 1jbj s THR 128 CO 0.30 0.54 0.00 0.00 -0.54 0.00 0.00 174.62 174.92 1jbj n GLY 130 N 0.00 2.91 3.99 0.00 0.00 -1.26 -4.44 105.19 106.38 1jbj n GLY 130 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1jbj n GLY 130 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1jbj n LEU 131 N 0.00 -0.82 -0.75 0.99 -0.00 -1.26 -0.27 117.00 114.89 1jbj n LEU 131 Ca 0.00 -1.23 -0.09 0.00 -0.00 0.00 0.00 56.01 54.68 1jbj n LEU 131 Cb 0.00 -1.77 -0.04 0.00 -0.00 0.00 0.00 43.42 41.61 1jbj n LEU 131 CO 0.00 0.73 -0.09 0.35 -0.00 0.00 0.00 177.39 178.38 1jbj n THR 132 N -4.80 -0.04 -3.04 1.47 -2.24 -1.26 -4.92 114.28 99.46 1jbj n THR 132 Ca -0.11 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.27 1jbj n THR 132 Cb 0.57 -1.21 -0.06 0.00 -2.10 0.00 0.00 70.33 67.53 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 -2.87 7.31 0.14 3.42 1.01 0.63 -4.93 116.67 121.37 1jbj s ASP 133 Ca 0.00 1.55 0.23 0.00 0.71 0.00 0.00 52.55 55.04 1jbj s ASP 133 Cb 0.00 -2.47 0.89 0.00 1.01 0.00 0.00 42.92 42.35 1jbj s ASP 133 CO 0.00 0.20 1.70 1.17 0.21 0.00 0.00 175.17 178.45 1jbj n LYS 134 N 1.76 0.13 -4.25 8.23 0.00 -1.26 -4.63 118.16 118.14 1jbj n LYS 134 Ca -0.06 0.26 -0.20 0.00 0.00 0.00 0.00 58.31 58.31 1jbj n LYS 134 Cb 0.49 -1.70 -0.16 0.00 0.00 0.00 0.00 35.03 33.66 1jbj n LYS 134 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1jbj s THR 135 N -3.13 0.64 -0.00 3.15 2.01 -1.26 -5.10 115.64 111.93 1jbj s THR 135 Ca 0.08 -0.20 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 1jbj s THR 135 Cb 0.12 -0.63 -0.00 0.00 0.01 0.00 0.00 72.50 72.00 1jbj s THR 135 CO 0.43 0.24 0.03 -0.63 -0.69 0.00 0.00 174.62 173.99 1jbj s ILE 136 N 0.72 0.03 -0.21 1.82 1.01 -1.26 -3.27 121.20 120.05 1jbj s ILE 136 Ca -0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 1jbj s ILE 136 Cb -0.13 -0.13 0.07 0.00 0.01 0.00 0.00 42.46 42.28 1jbj s ILE 136 CO 0.01 -0.14 0.07 -0.75 0.00 0.00 0.00 174.94 174.13 1jbj s LYS 137 N -0.41 0.41 0.00 2.79 2.47 -0.84 -4.96 119.74 119.20 1jbj s LYS 137 Ca -0.05 -0.39 -0.11 0.00 -1.56 0.00 0.00 55.97 53.87 1jbj s LYS 137 Cb -0.03 -1.89 -0.05 0.00 -1.46 0.00 0.00 37.83 34.40 1jbj s LYS 137 CO -0.00 -0.73 0.34 -0.46 0.16 0.00 0.00 175.35 174.65 1jbj s TRP 138 N 1.96 3.64 0.15 4.03 -0.11 -1.26 -0.64 118.94 126.71 1jbj s TRP 138 Ca 0.02 0.79 0.06 0.00 1.22 0.00 0.00 56.10 58.19 1jbj s TRP 138 Cb -0.17 -2.14 -0.04 0.00 -1.50 0.00 0.00 33.47 29.62 1jbj s TRP 138 CO -0.14 0.62 -0.13 -0.51 -4.62 0.00 0.00 176.95 172.18 1jbj s LEU 139 N -1.40 2.48 -0.18 5.86 1.02 0.16 -2.45 118.68 124.17 1jbj s LEU 139 Ca 0.25 -0.92 0.01 0.00 0.02 0.00 0.00 54.13 53.48 1jbj s LEU 139 Cb -0.15 -0.50 0.04 0.00 0.02 0.00 0.00 46.19 45.60 1jbj s LEU 139 CO 0.13 -0.22 -0.10 -0.75 0.02 0.00 0.00 176.35 175.44 1jbj s LYS 140 N -3.24 1.96 -1.58 1.70 2.36 0.22 -2.07 119.74 119.09 1jbj s LYS 140 Ca 0.14 -0.74 -0.00 0.00 -2.55 0.00 0.00 55.97 52.82 1jbj s LYS 140 Cb -0.01 -2.29 0.00 0.00 -1.05 0.00 0.00 37.83 34.47 1jbj s LYS 140 CO 0.03 -0.40 0.05 -0.25 1.55 0.00 0.00 175.35 176.33 1jbj n ASP 141 N 4.73 -5.40 0.00 1.43 9.92 -1.26 -0.91 116.55 125.06 1jbj n ASP 141 Ca -0.14 0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 1jbj n ASP 141 Cb 0.47 -4.50 0.00 0.00 -0.64 0.00 0.00 41.12 36.45 1jbj n ASP 141 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jbj n GLY 142 N -1.00 0.57 3.18 0.44 0.00 -1.26 -5.06 105.19 102.06 1jbj n GLY 142 Ca -0.21 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.60 2.67 0.08 1.61 0.15 -0.09 -5.10 113.70 110.43 1jbj s SER 143 Ca 0.00 -0.46 -0.31 0.00 0.70 0.00 0.00 55.95 55.88 1jbj s SER 143 Cb 0.00 -1.05 -0.09 0.00 -1.71 0.00 0.00 66.02 63.17 1jbj s SER 143 CO 0.00 0.15 1.75 -0.63 1.20 0.00 0.00 173.24 175.71 1jbj s ILE 144 N 0.25 2.88 -0.23 6.45 -1.09 -1.26 0.73 121.20 128.94 1jbj s ILE 144 Ca -0.13 0.29 -0.04 0.00 -2.23 0.00 0.00 60.65 58.55 1jbj s ILE 144 Cb -0.16 -3.19 0.08 0.00 -1.58 0.00 0.00 42.46 37.61 1jbj s ILE 144 CO 0.06 -0.00 0.10 -0.51 -1.23 0.00 0.00 174.94 173.35 1jbj s ILE 145 N 2.93 0.06 0.05 2.92 2.07 -1.03 -4.87 121.20 123.34 1jbj s ILE 145 Ca 0.78 -0.52 0.05 0.00 -1.41 0.00 0.00 60.65 59.55 1jbj s ILE 145 Cb -0.42 -0.85 -0.02 0.00 0.13 0.00 0.00 42.46 41.29 1jbj s ILE 145 CO 0.34 -0.47 -0.14 -0.94 -1.91 0.00 0.00 174.94 171.83 1jbj s SER 146 N 2.06 1.61 0.45 4.50 1.04 -1.26 -4.49 113.70 117.60 1jbj s SER 146 Ca 0.05 -0.52 -0.03 0.00 0.48 0.00 0.00 55.95 55.92 1jbj s SER 146 Cb -0.16 -0.07 -0.03 0.00 0.10 0.00 0.00 66.02 65.86 1jbj s SER 146 CO -0.20 -0.03 0.72 -2.16 0.98 0.00 0.00 173.24 172.55 1jbj s PRO 147 N -1.40 3.40 -0.21 4.02 0.04 -1.26 -5.02 135.00 134.57 1jbj s PRO 147 Ca -0.01 -0.05 0.13 0.00 0.04 0.00 0.00 61.00 61.11 1jbj s PRO 147 Cb -0.09 -2.46 0.41 0.00 0.04 0.00 0.00 34.50 32.40 1jbj s PRO 147 CO 0.02 -0.18 1.26 -0.11 0.04 0.00 0.00 177.00 178.03 1jbj n LEU 148 N -2.15 2.95 -0.84 -3.56 -0.00 -1.26 -4.56 117.00 107.58 1jbj n LEU 148 Ca -0.00 -3.67 -0.04 0.00 -0.00 0.00 0.00 56.01 52.29 1jbj n LEU 148 Cb 0.56 -0.53 -0.04 0.00 -0.00 0.00 0.00 43.42 43.41 1jbj n LEU 148 CO 0.51 1.20 0.30 -0.46 -0.00 0.00 0.00 177.39 178.95 1jbj n ASN 149 N -1.16 -0.58 -3.55 1.96 6.94 -1.26 -5.13 115.26 112.48 1jbj n ASN 149 Ca 0.21 -1.66 -0.16 0.00 -0.02 0.00 0.00 54.58 52.95 1jbj n ASN 149 Cb 0.75 0.17 -0.06 0.00 -2.36 0.00 0.00 39.78 38.28 1jbj n ASN 149 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1jbj s ALA 150 N 0.00 -1.81 -0.06 -2.53 0.00 -1.26 -5.06 121.76 111.04 1jbj s ALA 150 Ca 0.01 1.50 0.02 0.00 0.00 0.00 0.00 51.96 53.49 1jbj s ALA 150 Cb 0.01 -0.36 0.07 0.00 0.00 0.00 0.00 23.12 22.84 1jbj s ALA 150 CO -0.01 -0.35 0.61 -2.37 0.00 0.00 0.00 175.76 173.65 1jbj n THR 151 N 1.22 0.00 -1.58 0.00 5.66 -1.26 -4.74 114.28 113.57 1jbj n THR 151 Ca -0.17 -0.18 -0.30 0.00 -3.05 0.00 0.00 64.05 60.36 1jbj n THR 151 Cb 0.57 0.47 -0.03 0.00 -1.55 0.00 0.00 70.33 69.80 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 -0.28 2.48 -1.62 1.09 2.85 -1.26 -4.73 118.16 116.69 1jbj n LYS 152 Ca -0.05 -2.64 -0.14 0.00 -1.05 0.00 0.00 58.31 54.42 1jbj n LYS 152 Cb 0.53 -2.16 -0.05 0.00 -0.65 0.00 0.00 35.03 32.69 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 0.46 -3.84 -4.48 -5.58 6.94 -1.26 -4.92 115.26 102.58 1jbj n ASN 153 Ca 0.50 0.31 -0.23 0.00 -0.02 0.00 0.00 54.58 55.14 1jbj n ASN 153 Cb 0.47 -3.49 -0.11 0.00 -2.36 0.00 0.00 39.78 34.30 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 -2.30 1.59 -0.03 5.53 -4.23 -1.26 -1.93 115.64 113.02 1jbj s THR 154 Ca 0.00 -2.07 0.02 0.00 -1.18 0.00 0.00 61.69 58.46 1jbj s THR 154 Cb 0.00 -2.68 0.01 0.00 1.34 0.00 0.00 72.50 71.18 1jbj s THR 154 CO 0.00 -0.14 -0.06 0.86 -0.54 0.00 0.00 174.62 174.74 1jbj s TRP 155 N -3.03 0.76 0.11 3.99 -0.00 0.48 -4.74 118.94 116.50 1jbj s TRP 155 Ca 0.33 -0.19 -0.30 0.00 -0.00 0.00 0.00 56.10 55.94 1jbj s TRP 155 Cb 0.06 -0.60 -0.06 0.00 -0.00 0.00 0.00 33.47 32.88 1jbj s TRP 155 CO 0.14 -0.13 0.97 -0.80 -0.00 0.00 0.00 176.95 177.14 1jbj s ASN 156 N 0.50 7.48 -0.07 5.86 0.01 -1.26 -1.21 114.94 126.26 1jbj s ASN 156 Ca -0.07 1.80 -0.01 0.00 -0.71 0.00 0.00 52.86 53.88 1jbj s ASN 156 Cb -0.11 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.93 1jbj s ASN 156 CO 0.00 -0.08 -0.06 0.18 -1.51 0.00 0.00 177.10 175.62 1jbj n LEU 157 N 2.83 2.34 0.00 0.60 4.77 -1.04 -4.97 117.00 121.54 1jbj n LEU 157 Ca 0.03 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1jbj n LEU 157 Cb 0.49 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1jbj n LEU 157 CO 0.51 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 1jbj n GLY 158 N 3.03 0.14 3.27 -0.72 0.00 -1.26 -4.40 105.19 105.26 1jbj n GLY 158 Ca -0.12 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 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 3.94 0.53 1.61 2.47 -1.26 -3.32 114.94 114.91 1jbj s ASN 159 Ca 0.00 -0.44 0.42 0.00 0.42 0.00 0.00 52.86 53.25 1jbj s ASN 159 Cb 0.00 -1.65 1.61 0.00 -1.45 0.00 0.00 41.25 39.77 1jbj s ASN 159 CO 0.00 0.02 1.67 0.78 -3.72 0.00 0.00 177.10 175.85 1jbj h ASN 160 N 7.78 0.05 -0.50 -4.21 2.35 -0.97 1.16 115.58 121.24 1jbj h ASN 160 Ca -0.39 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1jbj h ASN 160 Cb 1.17 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.53 1jbj h ASN 160 CO 0.60 -0.02 0.33 0.00 -1.65 0.00 0.00 177.43 176.69 1jbj h ALA 161 N 1.25 1.63 0.00 -0.83 0.00 -1.87 -3.36 119.26 116.07 1jbj h ALA 161 Ca 0.78 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 55.43 1jbj h ALA 161 Cb 3.01 -0.21 -0.14 0.00 0.00 0.00 0.00 17.79 20.45 1jbj h ALA 161 CO -0.07 0.34 -0.35 1.17 0.00 0.00 0.00 179.25 180.33 1jbj n LYS 162 N -4.45 0.96 -3.94 0.00 4.81 0.33 -5.00 118.16 110.86 1jbj n LYS 162 Ca 0.05 -1.76 -0.33 0.00 -0.87 0.00 0.00 58.31 55.40 1jbj n LYS 162 Cb 0.05 -0.69 -0.05 0.00 0.02 0.00 0.00 35.03 34.36 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 -1.12 6.23 -0.03 3.14 -4.77 0.27 -4.56 116.67 115.82 1jbj s ASP 163 Ca 0.21 0.30 -0.30 0.00 -3.30 0.00 0.00 52.55 49.46 1jbj s ASP 163 Cb 0.31 -1.92 -0.03 0.00 -1.09 0.00 0.00 42.92 40.19 1jbj s ASP 163 CO -0.07 0.26 1.02 -2.16 0.70 0.00 0.00 175.17 174.92 1jbj s PRO 164 N -1.93 4.49 0.52 2.11 0.04 -1.26 -4.64 135.00 134.33 1jbj s PRO 164 Ca 0.27 1.46 0.05 0.00 0.04 0.00 0.00 61.00 62.81 1jbj s PRO 164 Cb -0.13 -3.49 0.04 0.00 0.04 0.00 0.00 34.50 30.97 1jbj s PRO 164 CO 0.18 -0.19 0.72 -0.98 0.04 0.00 0.00 177.00 176.78 1jbj s ARG 165 N 1.44 2.53 0.00 4.56 1.70 -1.26 -4.93 118.95 122.99 1jbj s ARG 165 Ca 0.52 -1.11 0.00 0.00 -0.47 0.00 0.00 55.73 54.67 1jbj s ARG 165 Cb -0.21 -2.60 0.00 0.00 -0.57 0.00 0.00 34.95 31.57 1jbj s ARG 165 CO 0.24 -0.64 0.00 0.41 -1.08 0.00 0.00 175.30 174.23 1jbj n GLY 166 N -2.19 -0.07 3.47 3.88 0.00 -1.05 -5.01 105.19 104.21 1jbj n GLY 166 Ca 0.10 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 1jbj n GLY 166 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jbj s THR 167 N -3.42 3.04 -0.04 2.61 -4.23 -1.25 -0.06 115.64 112.28 1jbj s THR 167 Ca 0.00 -0.73 -0.00 0.00 -1.18 0.00 0.00 61.69 59.78 1jbj s THR 167 Cb 0.00 -2.19 0.03 0.00 1.34 0.00 0.00 72.50 71.68 1jbj s THR 167 CO 0.00 0.59 0.01 -0.31 -0.54 0.00 0.00 174.62 174.36 1jbj s TYR 168 N -0.66 0.39 -0.04 3.99 1.51 -0.05 -4.14 117.35 118.35 1jbj s TYR 168 Ca 0.10 -0.01 -0.01 0.00 -1.01 0.00 0.00 57.07 56.13 1jbj s TYR 168 Cb -0.11 -0.53 -0.04 0.00 -0.11 0.00 0.00 41.96 41.17 1jbj s TYR 168 CO 0.01 -0.19 0.06 1.14 -1.11 0.00 0.00 175.55 175.46 1jbj s GLN 169 N 1.43 3.07 0.14 -0.62 0.00 -0.88 0.19 119.66 123.00 1jbj s GLN 169 Ca -0.04 -0.44 0.07 0.00 -0.00 0.00 0.00 55.36 54.96 1jbj s GLN 169 Cb -0.13 -2.87 -0.04 0.00 0.00 0.00 0.00 33.01 29.97 1jbj s GLN 169 CO -0.03 0.67 -0.16 0.00 0.00 0.00 0.00 175.29 175.78 1jbj s GLN 171 N -2.71 2.31 0.24 0.00 0.74 0.19 -0.19 119.66 120.25 1jbj s GLN 171 Ca 0.12 -0.57 0.06 0.00 0.05 0.00 0.00 55.36 55.02 1jbj s GLN 171 Cb -0.05 -2.11 -0.03 0.00 1.10 0.00 0.00 33.01 31.92 1jbj s GLN 171 CO 0.05 -0.23 0.29 0.20 -0.55 0.00 0.00 175.29 175.05 1jbj s GLY 172 N 1.46 1.31 0.05 2.59 0.00 0.32 -1.99 107.32 111.05 1jbj s GLY 172 Ca 0.04 -1.30 -0.09 0.00 0.00 0.00 0.00 44.72 43.37 1jbj s GLY 172 CO -0.10 -1.33 0.50 0.00 0.00 0.00 0.00 173.10 172.17 1jbj n ALA 173 N -1.28 -0.19 -0.69 3.20 0.00 -1.20 -1.79 120.51 118.55 1jbj n ALA 173 Ca -0.08 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1jbj n ALA 173 Cb 0.57 -0.06 0.01 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 -4.41 1.17 -3.64 0.00 3.00 -1.26 -5.01 118.16 108.01 1jbj n LYS 174 Ca 0.01 -1.00 -0.24 0.00 -0.00 0.00 0.00 58.31 57.09 1jbj n LYS 174 Cb 0.09 -0.73 -0.17 0.00 0.00 0.00 0.00 35.03 34.22 1jbj n LYS 174 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1jbj s GLU 175 N -0.50 0.02 -0.36 1.64 0.41 -0.74 -5.12 118.70 114.06 1jbj s GLU 175 Ca 0.01 0.09 -0.13 0.00 -0.41 0.00 0.00 54.97 54.54 1jbj s GLU 175 Cb 0.01 -1.32 0.00 0.00 -1.78 0.00 0.00 34.13 31.04 1jbj s GLU 175 CO 0.00 -0.54 0.23 0.99 -0.49 0.00 0.00 175.26 175.46 1jbj s THR 176 N 2.14 5.02 0.55 3.63 2.01 -1.26 0.12 115.64 127.85 1jbj s THR 176 Ca 0.03 -0.50 -0.19 0.00 0.31 0.00 0.00 61.69 61.35 1jbj s THR 176 Cb -0.14 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 1jbj s THR 176 CO -0.07 -0.12 1.13 -0.55 -0.69 0.00 0.00 174.62 174.32 1jbj s SER 177 N 1.66 5.67 0.72 3.53 0.15 0.74 -4.90 113.70 121.27 1jbj s SER 177 Ca 0.05 2.15 -0.09 0.00 0.70 0.00 0.00 55.95 58.76 1jbj s SER 177 Cb -0.18 -2.58 0.05 0.00 -1.71 0.00 0.00 66.02 61.60 1jbj s SER 177 CO 0.09 -1.25 1.07 0.20 1.20 0.00 0.00 173.24 174.55 1jbj s ASN 178 N -1.86 4.95 -0.34 5.45 -0.87 -1.26 -2.92 114.94 118.08 1jbj s ASN 178 Ca 0.72 0.73 -0.34 0.00 -1.57 0.00 0.00 52.86 52.40 1jbj s ASN 178 Cb -0.23 -1.40 -0.10 0.00 -0.02 0.00 0.00 41.25 39.49 1jbj s ASN 178 CO 0.28 -1.57 2.21 -2.65 -2.57 0.00 0.00 177.10 172.80 1jbj n PRO 179 N -3.02 1.20 -2.58 -0.60 -0.02 -1.26 -4.47 135.00 124.26 1jbj n PRO 179 Ca 0.07 0.32 -0.43 0.00 -2.02 0.00 0.00 63.50 61.44 1jbj n PRO 179 Cb 0.60 -2.61 -0.02 0.00 -0.02 0.00 0.00 33.50 31.45 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 7.68 3.66 -0.93 2.45 2.96 0.51 -4.60 118.68 130.41 1jbj s LEU 180 Ca 1.08 0.57 -0.21 0.00 -0.22 0.00 0.00 54.13 55.36 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 -1.23 1.25 -1.58 -1.32 0.00 0.00 176.35 173.93 1jbj s GLN 181 N 4.42 3.53 -0.75 1.98 0.74 -1.26 -0.87 119.66 127.45 1jbj s GLN 181 Ca 0.49 -1.35 -0.23 0.00 0.05 0.00 0.00 55.36 54.32 1jbj s GLN 181 Cb -0.08 -4.99 0.07 0.00 1.10 0.00 0.00 33.01 29.10 1jbj s GLN 181 CO 0.30 -1.97 1.11 0.08 -0.55 0.00 0.00 175.29 174.27 1jbj s VAL 182 N 3.87 4.19 -0.45 1.34 1.01 0.92 -0.34 120.40 130.93 1jbj s VAL 182 Ca 0.37 -0.38 -0.23 0.00 0.00 0.00 0.00 61.98 61.74 1jbj s VAL 182 Cb -0.04 -4.79 0.03 0.00 0.00 0.00 0.00 36.38 31.57 1jbj s VAL 182 CO -0.07 -1.61 0.77 -0.47 0.00 0.00 0.00 175.10 173.72 1jbj s TYR 183 N 4.38 3.00 0.10 5.22 5.04 -0.78 -2.54 117.35 131.77 1jbj s TYR 183 Ca 0.29 0.14 0.08 0.00 -2.44 0.00 0.00 57.07 55.14 1jbj s TYR 183 Cb -0.11 -3.64 -0.03 0.00 0.35 0.00 0.00 41.96 38.52 1jbj s TYR 183 CO 0.07 -0.98 -0.20 0.71 -1.34 0.00 0.00 175.55 173.80 1jbj s TYR 184 N 3.25 1.73 -0.68 4.97 2.02 -1.25 -0.88 117.35 126.52 1jbj s TYR 184 Ca 0.29 -0.42 -0.25 0.00 -0.37 0.00 0.00 57.07 56.32 1jbj s TYR 184 Cb -0.12 -0.95 -0.13 0.00 -0.40 0.00 0.00 41.96 40.36 1jbj s TYR 184 CO 0.22 0.19 2.43 2.89 -1.57 0.00 0.00 175.55 179.71 1jbj n ARG 185 N 1.12 0.70 -0.54 -0.62 0.00 -1.25 -4.77 116.66 111.30 1jbj n ARG 185 Ca -0.20 -0.30 0.00 0.00 -0.00 0.00 0.00 57.85 57.35 1jbj n ARG 185 Cb 0.54 -3.18 0.00 0.00 -0.00 0.00 0.00 32.46 29.81 1jbj n ARG 185 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30