#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jnj n ILE 1 N 0.00 2.28 -2.27 2.02 -0.00 -1.26 -4.93 119.36 115.20 1jnj n ILE 1 Ca 0.00 -4.63 -0.40 0.00 -0.00 0.00 0.00 62.75 57.71 1jnj n ILE 1 Cb 0.00 -1.05 0.01 0.00 -0.00 0.00 0.00 39.64 38.59 1jnj n ILE 1 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1jnj n GLN 2 N -0.49 4.96 -1.88 0.38 6.02 -1.26 -4.56 117.38 120.55 1jnj n GLN 2 Ca 0.37 -3.98 -0.42 0.00 -0.01 0.00 0.00 57.00 52.96 1jnj n GLN 2 Cb 0.73 -2.56 -0.03 0.00 1.02 0.00 0.00 30.24 29.40 1jnj n GLN 2 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1jnj s ARG 3 N -2.51 4.17 0.25 -1.09 0.52 -1.22 -4.94 118.95 114.13 1jnj s ARG 3 Ca 0.48 2.36 -0.30 0.00 -0.52 0.00 0.00 55.73 57.75 1jnj s ARG 3 Cb 0.19 -3.91 -0.09 0.00 0.52 0.00 0.00 34.95 31.65 1jnj s ARG 3 CO -0.11 -0.84 1.03 0.99 0.02 0.00 0.00 175.30 176.39 1jnj s THR 4 N 3.71 3.78 -0.29 0.02 2.01 -1.26 -3.69 115.64 119.92 1jnj s THR 4 Ca 0.78 1.76 -0.29 0.00 0.31 0.00 0.00 61.69 64.25 1jnj s THR 4 Cb -0.38 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 67.99 1jnj s THR 4 CO 0.34 0.41 1.64 -2.16 -0.69 0.00 0.00 174.62 174.16 1jnj s PRO 5 N -1.23 3.61 -0.37 4.92 0.04 -1.26 -3.64 135.00 137.07 1jnj s PRO 5 Ca 0.43 1.46 -0.28 0.00 0.04 0.00 0.00 61.00 62.66 1jnj s PRO 5 Cb -0.29 -4.08 0.02 0.00 0.04 0.00 0.00 34.50 30.19 1jnj s PRO 5 CO 0.37 -1.52 1.04 0.21 0.04 0.00 0.00 177.00 177.14 1jnj s LYS 6 N 5.03 3.91 -0.18 4.56 2.20 0.28 -4.90 119.74 130.63 1jnj s LYS 6 Ca 0.72 0.79 -0.10 0.00 -0.36 0.00 0.00 55.97 57.03 1jnj s LYS 6 Cb -0.22 -3.80 -0.05 0.00 -1.51 0.00 0.00 37.83 32.25 1jnj s LYS 6 CO 0.31 -1.03 0.14 0.42 -0.36 0.00 0.00 175.35 174.83 1jnj s ILE 7 N 3.79 5.42 -0.37 5.43 1.01 -1.26 -1.10 121.20 134.12 1jnj s ILE 7 Ca 0.44 0.21 0.01 0.00 0.00 0.00 0.00 60.65 61.30 1jnj s ILE 7 Cb -0.11 -3.46 0.15 0.00 0.01 0.00 0.00 42.46 39.04 1jnj s ILE 7 CO 0.20 0.47 0.24 0.00 0.00 0.00 0.00 174.94 175.85 1jnj s GLN 8 N 0.09 0.66 0.02 2.79 0.00 -0.16 -5.02 119.66 118.04 1jnj s GLN 8 Ca 0.10 -1.51 -0.30 0.00 -0.00 0.00 0.00 55.36 53.65 1jnj s GLN 8 Cb -0.11 -1.38 -0.04 0.00 0.00 0.00 0.00 33.01 31.48 1jnj s GLN 8 CO -0.01 -1.24 0.97 0.08 0.00 0.00 0.00 175.29 175.09 1jnj s VAL 9 N 0.85 4.79 0.26 3.63 1.01 -1.26 -3.31 120.40 126.36 1jnj s VAL 9 Ca 0.21 2.04 0.09 0.00 0.00 0.00 0.00 61.98 64.33 1jnj s VAL 9 Cb -0.18 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 1jnj s VAL 9 CO -0.03 0.20 -0.01 -0.31 0.00 0.00 0.00 175.10 174.95 1jnj s TYR 10 N 0.76 2.69 -0.18 5.22 2.02 -0.23 -4.99 117.35 122.64 1jnj s TYR 10 Ca 0.50 -0.22 -0.00 0.00 -0.37 0.00 0.00 57.07 56.98 1jnj s TYR 10 Cb -0.21 -1.20 0.04 0.00 -0.40 0.00 0.00 41.96 40.19 1jnj s TYR 10 CO 0.28 0.62 -0.07 -1.12 -1.57 0.00 0.00 175.55 173.69 1jnj s SER 11 N -3.61 3.07 0.17 2.29 0.01 -1.26 -2.04 113.70 112.32 1jnj s SER 11 Ca 0.31 -0.77 -0.13 0.00 1.31 0.00 0.00 55.95 56.67 1jnj s SER 11 Cb -0.07 -1.02 0.06 0.00 0.21 0.00 0.00 66.02 65.21 1jnj s SER 11 CO 0.20 -0.18 1.77 0.03 0.41 0.00 0.00 173.24 175.47 1jnj h ARG 12 N 8.07 0.78 -6.52 12.44 2.47 -1.79 -3.42 114.38 126.41 1jnj h ARG 12 Ca -0.25 -0.10 -0.63 0.00 -1.26 0.00 0.00 59.98 57.75 1jnj h ARG 12 Cb 1.10 -0.15 -0.21 0.00 -1.65 0.00 0.00 29.97 29.07 1jnj h ARG 12 CO 0.42 0.62 -0.84 -1.01 0.56 0.00 0.00 179.97 179.73 1jnj s HIS 13 N -5.79 2.11 -0.70 3.04 3.76 -1.26 -5.02 115.29 111.43 1jnj s HIS 13 Ca -0.13 -0.40 -0.06 0.00 -0.15 0.00 0.00 55.06 54.32 1jnj s HIS 13 Cb 0.12 -1.11 -0.07 0.00 1.11 0.00 0.00 32.58 32.64 1jnj s HIS 13 CO 0.77 0.34 3.03 -0.35 -0.85 0.00 0.00 174.74 177.68 1jnj n PRO 14 N 0.71 2.93 -0.99 8.40 -0.04 -1.26 -4.81 135.00 139.94 1jnj n PRO 14 Ca -0.16 -2.07 0.00 0.00 -0.04 0.00 0.00 63.50 61.23 1jnj n PRO 14 Cb 0.54 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 1jnj n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jnj n ALA 15 N 2.11 -2.32 -3.49 0.55 0.00 -1.26 -4.88 120.51 111.23 1jnj n ALA 15 Ca 0.55 0.26 -0.19 0.00 0.00 0.00 0.00 53.44 54.06 1jnj n ALA 15 Cb 0.56 -1.02 -0.13 0.00 0.00 0.00 0.00 19.45 18.86 1jnj n ALA 15 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1jnj s GLU 16 N -3.38 0.20 0.60 0.00 2.02 -1.26 -5.11 118.70 111.76 1jnj s GLU 16 Ca 0.00 0.11 -0.19 0.00 0.02 0.00 0.00 54.97 54.91 1jnj s GLU 16 Cb 0.00 -1.19 -0.03 0.00 0.10 0.00 0.00 34.13 33.01 1jnj s GLU 16 CO 0.00 -0.72 1.25 0.54 0.02 0.00 0.00 175.26 176.35 1jnj s ASN 17 N 2.31 5.08 0.00 -0.19 2.20 -1.26 -3.81 114.94 119.27 1jnj s ASN 17 Ca 0.07 2.49 0.00 0.00 -0.94 0.00 0.00 52.86 54.48 1jnj s ASN 17 Cb -0.16 -2.61 0.00 0.00 -2.00 0.00 0.00 41.25 36.49 1jnj s ASN 17 CO -0.15 -1.68 0.00 0.61 -2.94 0.00 0.00 177.10 172.94 1jnj n GLY 18 N 0.64 1.57 3.68 0.45 0.00 -1.26 -4.90 105.19 105.38 1jnj n GLY 18 Ca 0.14 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1jnj n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jnj s LYS 19 N 0.00 4.33 0.29 1.61 2.20 -1.25 -4.97 119.74 121.95 1jnj s LYS 19 Ca 0.00 0.92 -0.29 0.00 -0.36 0.00 0.00 55.97 56.24 1jnj s LYS 19 Cb 0.00 -3.54 -0.13 0.00 -1.51 0.00 0.00 37.83 32.66 1jnj s LYS 19 CO 0.00 -0.19 1.33 -1.13 -0.36 0.00 0.00 175.35 175.00 1jnj n SER 20 N 4.74 2.71 0.00 1.43 3.41 -1.26 -4.69 113.62 119.96 1jnj n SER 20 Ca 0.02 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.80 1jnj n SER 20 Cb 0.50 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 1jnj n SER 20 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1jnj n ASN 21 N 1.44 0.00 -3.65 4.04 3.02 -0.23 -4.97 115.26 114.90 1jnj n ASN 21 Ca 0.08 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.60 1jnj n ASN 21 Cb 0.34 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.45 1jnj n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1jnj s PHE 22 N 4.14 -1.17 -0.16 3.10 0.08 -1.26 -4.05 117.98 118.66 1jnj s PHE 22 Ca 0.00 2.07 -0.08 0.00 0.12 0.00 0.00 56.93 59.04 1jnj s PHE 22 Cb 0.00 0.65 -0.04 0.00 -0.57 0.00 0.00 43.02 43.05 1jnj s PHE 22 CO 0.00 -0.61 0.13 -1.17 -0.10 0.00 0.00 175.22 173.47 1jnj s LEU 23 N 2.81 4.26 -0.41 -0.37 2.96 -0.03 -1.91 118.68 125.99 1jnj s LEU 23 Ca -0.04 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1jnj s LEU 23 Cb -0.12 -2.07 0.14 0.00 0.50 0.00 0.00 46.19 44.64 1jnj s LEU 23 CO -0.17 0.29 0.24 0.20 -1.32 0.00 0.00 176.35 175.59 1jnj s ASN 24 N -0.30 3.22 -1.25 3.68 0.01 -0.87 -1.82 114.94 117.62 1jnj s ASN 24 Ca 0.11 -2.50 -0.15 0.00 -0.71 0.00 0.00 52.86 49.61 1jnj s ASN 24 Cb -0.12 -0.73 0.13 0.00 0.41 0.00 0.00 41.25 40.95 1jnj s ASN 24 CO 0.01 -0.27 1.57 0.00 -1.51 0.00 0.00 177.10 176.89 1jnj s TYR 26 N 2.51 3.43 -0.03 0.00 5.04 -1.21 -3.80 117.35 123.28 1jnj s TYR 26 Ca 0.47 1.44 0.06 0.00 -2.44 0.00 0.00 57.07 56.60 1jnj s TYR 26 Cb 0.00 -3.29 -0.01 0.00 0.35 0.00 0.00 41.96 39.00 1jnj s TYR 26 CO 0.03 -0.74 -0.22 0.08 -1.34 0.00 0.00 175.55 173.36 1jnj s VAL 27 N 1.65 1.81 0.21 3.14 1.01 -1.19 -0.99 120.40 126.05 1jnj s VAL 27 Ca 0.54 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 1jnj s VAL 27 Cb -0.23 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.65 1jnj s VAL 27 CO 0.24 0.51 0.38 -1.54 0.00 0.00 0.00 175.10 174.69 1jnj n SER 28 N 2.74 -1.09 0.00 3.32 3.41 -0.26 -3.03 113.62 118.71 1jnj n SER 28 Ca -0.16 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 1jnj n SER 28 Cb 0.52 1.87 0.00 0.00 -0.26 0.00 0.00 64.21 66.35 1jnj n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jnj n GLY 29 N -0.31 2.24 3.57 5.00 0.00 -1.24 -0.56 105.19 113.89 1jnj n GLY 29 Ca -0.03 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1jnj n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1jnj s PHE 30 N -0.30 1.11 -0.29 1.61 -0.12 -1.23 -4.49 117.98 114.27 1jnj s PHE 30 Ca 0.00 0.80 -0.26 0.00 -0.05 0.00 0.00 56.93 57.42 1jnj s PHE 30 Cb 0.00 -3.26 0.19 0.00 -0.63 0.00 0.00 43.02 39.32 1jnj s PHE 30 CO 0.00 -3.67 1.42 -1.58 -0.05 0.00 0.00 175.22 171.34 1jnj s HIS 31 N -2.81 -0.06 0.00 3.49 2.46 -1.24 -1.60 115.29 115.53 1jnj s HIS 31 Ca 0.68 0.15 0.00 0.00 0.47 0.00 0.00 55.06 56.36 1jnj s HIS 31 Cb -0.16 0.48 0.00 0.00 -0.13 0.00 0.00 32.58 32.77 1jnj s HIS 31 CO 0.58 -0.03 0.00 -0.35 -2.47 0.00 0.00 174.74 172.47 1jnj n PRO 32 N 1.40 3.51 0.11 2.88 -0.04 -1.26 -3.44 135.00 138.16 1jnj n PRO 32 Ca -0.08 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.17 1jnj n PRO 32 Cb 0.57 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.88 1jnj n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1jnj h SER 33 N 0.00 0.62 -2.30 3.54 4.64 -1.98 -3.45 113.55 114.63 1jnj h SER 33 Ca 0.00 -0.72 -0.52 0.00 -0.47 0.00 0.00 61.79 60.08 1jnj h SER 33 Cb 0.00 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 61.83 1jnj h SER 33 CO 0.00 1.57 1.21 -0.62 -0.87 0.00 0.00 176.83 178.12 1jnj s ASP 34 N -7.33 5.75 0.05 4.97 2.15 -1.26 -4.96 116.67 116.04 1jnj s ASP 34 Ca -0.08 0.11 0.03 0.00 0.43 0.00 0.00 52.55 53.03 1jnj s ASP 34 Cb 0.06 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 40.11 1jnj s ASP 34 CO 0.90 -2.05 -0.09 -0.51 -0.17 0.00 0.00 175.17 173.26 1jnj s ILE 35 N 7.32 0.65 -0.08 4.11 2.07 -1.26 -0.52 121.20 133.48 1jnj s ILE 35 Ca 0.54 -1.13 0.05 0.00 -1.41 0.00 0.00 60.65 58.69 1jnj s ILE 35 Cb -0.11 -0.71 -0.00 0.00 0.13 0.00 0.00 42.46 41.77 1jnj s ILE 35 CO 0.20 -0.36 -0.23 -1.61 -1.91 0.00 0.00 174.94 171.03 1jnj s GLU 36 N -1.64 2.78 -0.36 3.50 2.02 -0.40 -4.96 118.70 119.64 1jnj s GLU 36 Ca -0.08 -0.85 0.01 0.00 0.02 0.00 0.00 54.97 54.07 1jnj s GLU 36 Cb -0.10 -2.18 0.15 0.00 0.10 0.00 0.00 34.13 32.10 1jnj s GLU 36 CO 0.01 0.23 0.28 0.08 0.02 0.00 0.00 175.26 175.88 1jnj s VAL 37 N 0.20 -0.03 -0.15 2.63 1.01 -1.26 -1.64 120.40 121.16 1jnj s VAL 37 Ca -0.14 -1.48 -0.26 0.00 0.00 0.00 0.00 61.98 60.11 1jnj s VAL 37 Cb -0.16 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1jnj s VAL 37 CO 0.07 -0.85 0.85 -1.81 0.00 0.00 0.00 175.10 173.36 1jnj s ASP 38 N 1.16 7.00 -0.04 3.32 1.01 -1.26 -4.87 116.67 122.99 1jnj s ASP 38 Ca 0.18 1.23 -0.21 0.00 0.71 0.00 0.00 52.55 54.46 1jnj s ASP 38 Cb -0.19 -2.47 -0.05 0.00 1.01 0.00 0.00 42.92 41.22 1jnj s ASP 38 CO -0.01 -0.38 0.62 -0.76 0.21 0.00 0.00 175.17 174.85 1jnj s LEU 39 N 2.02 4.37 -0.21 1.23 1.02 -1.26 -1.71 118.68 124.14 1jnj s LEU 39 Ca 0.40 1.13 -0.06 0.00 0.02 0.00 0.00 54.13 55.62 1jnj s LEU 39 Cb -0.17 -2.96 0.10 0.00 0.02 0.00 0.00 46.19 43.19 1jnj s LEU 39 CO 0.14 0.01 0.43 -0.22 0.02 0.00 0.00 176.35 176.73 1jnj s LEU 40 N 0.24 -0.69 0.00 1.79 1.98 -0.56 -1.51 118.68 119.94 1jnj s LEU 40 Ca 0.33 0.86 0.00 0.00 -2.89 0.00 0.00 54.13 52.43 1jnj s LEU 40 Cb -0.18 1.37 0.00 0.00 0.66 0.00 0.00 46.19 48.04 1jnj s LEU 40 CO 0.17 -0.25 0.00 0.29 -1.89 0.00 0.00 176.35 174.67 1jnj n LYS 41 N 5.39 3.10 -0.30 1.98 5.02 -0.42 -0.76 118.16 132.17 1jnj n LYS 41 Ca -0.07 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.21 1jnj n LYS 41 Cb 0.50 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.63 1jnj n LYS 41 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1jnj h ASN 42 N 0.00 0.84 0.00 4.39 7.08 -1.96 -3.42 115.58 122.51 1jnj h ASN 42 Ca 0.00 0.01 -0.03 0.00 -3.08 0.00 0.00 56.30 53.19 1jnj h ASN 42 Cb 0.00 -0.17 -0.03 0.00 -2.08 0.00 0.00 38.32 36.04 1jnj h ASN 42 CO 0.00 0.56 -0.04 0.61 -2.08 0.00 0.00 177.43 176.48 1jnj n GLY 43 N -1.32 -0.46 2.91 9.14 0.00 -1.26 -5.14 105.19 109.06 1jnj n GLY 43 Ca 0.11 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 1jnj n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jnj s GLU 44 N 0.02 0.76 -0.09 1.61 2.12 -1.26 -5.15 118.70 116.72 1jnj s GLU 44 Ca 0.02 -0.14 -0.14 0.00 0.36 0.00 0.00 54.97 55.07 1jnj s GLU 44 Cb 0.08 -0.76 -0.05 0.00 0.26 0.00 0.00 34.13 33.66 1jnj s GLU 44 CO -0.02 -0.03 0.35 0.50 -0.54 0.00 0.00 175.26 175.52 1jnj s ARG 45 N 0.66 4.04 -0.26 4.30 3.52 -1.26 -1.30 118.95 128.64 1jnj s ARG 45 Ca -0.09 0.24 -0.14 0.00 -0.13 0.00 0.00 55.73 55.61 1jnj s ARG 45 Cb -0.12 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 29.91 1jnj s ARG 45 CO 0.00 0.47 0.35 0.42 -0.81 0.00 0.00 175.30 175.73 1jnj s ILE 46 N -0.29 5.20 -0.09 4.11 1.01 -0.57 -4.97 121.20 125.59 1jnj s ILE 46 Ca 0.20 0.52 -0.17 0.00 0.00 0.00 0.00 60.65 61.20 1jnj s ILE 46 Cb -0.15 -3.67 -0.28 0.00 0.01 0.00 0.00 42.46 38.37 1jnj s ILE 46 CO 0.08 0.19 0.65 -0.33 0.00 0.00 0.00 174.94 175.53 1jnj h GLU 47 N 8.06 0.26 -5.43 2.79 5.08 -1.97 -3.42 114.58 119.95 1jnj h GLU 47 Ca -0.33 -0.44 -0.67 0.00 -1.00 0.00 0.00 59.36 56.92 1jnj h GLU 47 Cb 1.17 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 30.51 1jnj h GLU 47 CO 0.64 1.21 2.35 1.17 -1.00 0.00 0.00 179.01 183.38 1jnj n LYS 48 N -3.98 3.02 -3.90 2.33 0.00 -1.26 -4.88 118.16 109.50 1jnj n LYS 48 Ca -0.22 -3.08 -0.35 0.00 0.00 0.00 0.00 58.31 54.66 1jnj n LYS 48 Cb 0.88 -3.46 -0.14 0.00 0.00 0.00 0.00 35.03 32.31 1jnj n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1jnj s VAL 49 N 4.37 3.18 -0.11 3.15 1.01 -1.26 -4.48 120.40 126.25 1jnj s VAL 49 Ca 0.53 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 1jnj s VAL 49 Cb 0.06 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 1jnj s VAL 49 CO 0.05 0.11 1.01 -0.70 0.00 0.00 0.00 175.10 175.57 1jnj s GLU 50 N 1.36 4.41 0.25 2.72 2.12 0.56 -4.82 118.70 125.29 1jnj s GLU 50 Ca -0.00 1.39 0.07 0.00 0.36 0.00 0.00 54.97 56.79 1jnj s GLU 50 Cb -0.17 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 1jnj s GLU 50 CO -0.02 -0.34 0.17 -1.01 -0.54 0.00 0.00 175.26 173.52 1jnj s HIS 51 N 2.11 3.07 -0.62 5.30 3.76 -1.26 -0.97 115.29 126.68 1jnj s HIS 51 Ca 0.48 -0.12 0.25 0.00 -0.15 0.00 0.00 55.06 55.53 1jnj s HIS 51 Cb -0.18 -1.39 0.73 0.00 1.11 0.00 0.00 32.58 32.85 1jnj s HIS 51 CO 0.17 0.53 1.74 1.03 -0.85 0.00 0.00 174.74 177.36 1jnj h SER 52 N 1.58 0.00 -5.68 1.40 0.87 -1.44 -3.49 113.55 106.79 1jnj h SER 52 Ca -0.48 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 59.71 1jnj h SER 52 Cb 1.24 0.00 0.14 0.00 -0.44 0.00 0.00 62.40 63.34 1jnj h SER 52 CO 0.61 0.00 -0.68 0.47 -0.53 0.00 0.00 176.83 176.70 1jnj n ASP 53 N -2.48 -5.32 -1.66 6.23 8.00 -1.26 -4.60 116.55 115.45 1jnj n ASP 53 Ca 0.05 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 55.00 1jnj n ASP 53 Cb 0.43 -4.94 0.00 0.00 -0.02 0.00 0.00 41.12 36.59 1jnj n ASP 53 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1jnj n LEU 54 N -4.70 -4.50 -3.89 0.64 -0.00 -1.26 -5.06 117.00 98.23 1jnj n LEU 54 Ca -0.06 1.63 -0.30 0.00 -0.00 0.00 0.00 56.01 57.28 1jnj n LEU 54 Cb 0.58 -2.23 -0.15 0.00 -0.00 0.00 0.00 43.42 41.62 1jnj n LEU 54 CO 0.62 -1.47 -0.38 -0.55 -0.00 0.00 0.00 177.39 175.62 1jnj s SER 55 N -0.32 4.04 0.00 1.96 0.15 -0.60 -5.01 113.70 113.92 1jnj s SER 55 Ca 0.00 -1.48 0.20 0.00 0.70 0.00 0.00 55.95 55.36 1jnj s SER 55 Cb 0.00 -1.15 0.92 0.00 -1.71 0.00 0.00 66.02 64.08 1jnj s SER 55 CO 0.00 -0.32 1.63 2.22 1.20 0.00 0.00 173.24 177.97 1jnj n PHE 56 N 4.65 0.10 -3.00 3.44 -1.74 -1.26 -3.12 117.46 116.54 1jnj n PHE 56 Ca -0.06 -0.05 0.05 0.00 -0.56 0.00 0.00 57.45 56.83 1jnj n PHE 56 Cb 0.43 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.42 1jnj n PHE 56 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 1jnj n SER 57 N -0.23 -5.30 -0.42 5.98 3.41 -1.26 -3.05 113.62 112.75 1jnj n SER 57 Ca 0.15 0.39 0.12 0.00 -0.26 0.00 0.00 58.87 59.26 1jnj n SER 57 Cb 0.20 -1.12 0.14 0.00 -0.26 0.00 0.00 64.21 63.16 1jnj n SER 57 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jnj n LYS 58 N -2.14 1.12 -1.14 4.33 5.02 -1.26 -4.62 118.16 119.46 1jnj n LYS 58 Ca 0.00 -0.85 -0.27 0.00 -2.02 0.00 0.00 58.31 55.17 1jnj n LYS 58 Cb 0.16 -1.48 0.07 0.00 -0.02 0.00 0.00 35.03 33.76 1jnj n LYS 58 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1jnj n ASP 59 N -0.20 7.07 -4.40 4.39 8.00 -1.26 -4.87 116.55 125.28 1jnj n ASP 59 Ca 0.11 -3.48 -0.35 0.00 0.71 0.00 0.00 54.79 51.77 1jnj n ASP 59 Cb 0.43 -1.00 -0.09 0.00 -0.02 0.00 0.00 41.12 40.44 1jnj n ASP 59 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 1jnj n TRP 60 N -0.41 -1.24 -2.51 1.24 4.27 -1.26 -4.97 117.44 112.55 1jnj n TRP 60 Ca 0.49 0.64 0.00 0.00 -3.89 0.00 0.00 57.50 54.75 1jnj n TRP 60 Cb 0.66 -2.48 0.00 0.00 -1.36 0.00 0.00 31.31 28.13 1jnj n TRP 60 CO 0.00 0.00 0.00 -1.13 -2.29 0.00 0.00 177.69 174.27 1jnj n SER 61 N -2.73 0.63 -3.56 -0.67 3.41 -1.17 -5.05 113.62 104.48 1jnj n SER 61 Ca -0.16 -0.20 -0.01 0.00 -0.26 0.00 0.00 58.87 58.24 1jnj n SER 61 Cb 0.61 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.51 1jnj n SER 61 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1jnj s PHE 62 N 1.42 -0.98 0.28 7.33 5.36 -0.63 -4.74 117.98 126.03 1jnj s PHE 62 Ca 0.00 1.75 -0.20 0.00 -0.96 0.00 0.00 56.93 57.52 1jnj s PHE 62 Cb 0.00 0.59 0.05 0.00 -0.34 0.00 0.00 43.02 43.31 1jnj s PHE 62 CO 0.00 -0.49 0.83 1.52 -1.46 0.00 0.00 175.22 175.62 1jnj s TYR 63 N 2.38 -0.05 -0.12 10.12 -0.85 -1.18 -3.47 117.35 124.18 1jnj s TYR 63 Ca -0.06 -0.45 -0.30 0.00 -0.52 0.00 0.00 57.07 55.75 1jnj s TYR 63 Cb -0.08 0.74 0.11 0.00 0.38 0.00 0.00 41.96 43.11 1jnj s TYR 63 CO -0.18 -1.23 0.93 -0.48 -1.52 0.00 0.00 175.55 173.07 1jnj s LEU 64 N -3.03 -0.41 -0.15 -3.49 2.34 -1.17 -1.56 118.68 111.21 1jnj s LEU 64 Ca 0.14 0.39 -0.08 0.00 0.06 0.00 0.00 54.13 54.64 1jnj s LEU 64 Cb -0.04 2.00 -0.04 0.00 -0.56 0.00 0.00 46.19 47.54 1jnj s LEU 64 CO 0.07 -0.43 0.13 -0.22 -1.06 0.00 0.00 176.35 174.85 1jnj s LEU 65 N -1.34 4.30 -0.35 1.48 0.20 -1.26 -3.15 118.68 118.55 1jnj s LEU 65 Ca -0.02 0.37 -0.00 0.00 0.69 0.00 0.00 54.13 55.17 1jnj s LEU 65 Cb -0.00 -2.07 0.12 0.00 -0.43 0.00 0.00 46.19 43.80 1jnj s LEU 65 CO 0.01 0.32 0.16 -0.31 -0.29 0.00 0.00 176.35 176.25 1jnj s TYR 66 N -0.51 1.34 -0.04 5.38 1.51 -1.25 -1.01 117.35 122.77 1jnj s TYR 66 Ca 0.12 -1.75 0.03 0.00 -1.01 0.00 0.00 57.07 54.46 1jnj s TYR 66 Cb -0.12 -1.45 0.00 0.00 -0.11 0.00 0.00 41.96 40.28 1jnj s TYR 66 CO 0.02 -0.84 -0.13 1.52 -1.11 0.00 0.00 175.55 175.01 1jnj s TYR 67 N 1.25 1.34 0.07 2.71 1.13 -0.14 -3.25 117.35 120.45 1jnj s TYR 67 Ca 0.14 -0.38 0.06 0.00 -1.41 0.00 0.00 57.07 55.47 1jnj s TYR 67 Cb -0.20 -0.93 -0.03 0.00 -1.10 0.00 0.00 41.96 39.70 1jnj s TYR 67 CO -0.15 -0.15 -0.15 -0.08 -2.51 0.00 0.00 175.55 172.51 1jnj s THR 68 N 0.20 1.22 -1.41 -3.49 -1.32 -0.75 -0.32 115.64 109.76 1jnj s THR 68 Ca -0.05 -1.31 -0.14 0.00 -1.21 0.00 0.00 61.69 58.99 1jnj s THR 68 Cb -0.11 -1.15 0.07 0.00 -1.51 0.00 0.00 72.50 69.80 1jnj s THR 68 CO 0.02 -0.16 2.10 -1.84 -2.21 0.00 0.00 174.62 172.52 1jnj n GLU 69 N 1.33 3.03 -2.15 7.08 0.28 -1.26 -0.85 120.64 128.11 1jnj n GLU 69 Ca -0.20 -2.86 -0.41 0.00 -0.16 0.00 0.00 57.16 53.53 1jnj n GLU 69 Cb 0.54 -3.24 -0.03 0.00 1.43 0.00 0.00 31.44 30.14 1jnj n GLU 69 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 1jnj s PHE 70 N 2.76 3.15 -0.32 -1.84 -0.71 -1.26 -4.40 117.98 115.37 1jnj s PHE 70 Ca 0.46 1.24 0.03 0.00 -1.04 0.00 0.00 56.93 57.63 1jnj s PHE 70 Cb 0.12 -3.67 0.09 0.00 -1.21 0.00 0.00 43.02 38.35 1jnj s PHE 70 CO -0.05 -2.03 0.02 0.99 -1.34 0.00 0.00 175.22 172.81 1jnj s THR 71 N -0.31 2.10 -1.37 -4.49 2.01 -1.26 -1.07 115.64 111.24 1jnj s THR 71 Ca 0.55 -2.09 -0.16 0.00 0.31 0.00 0.00 61.69 60.29 1jnj s THR 71 Cb -0.39 -2.49 0.06 0.00 0.01 0.00 0.00 72.50 69.69 1jnj s THR 71 CO 0.44 -0.49 1.97 -0.81 -0.69 0.00 0.00 174.62 175.04 1jnj n PRO 72 N 4.35 3.03 -1.71 4.92 -0.04 -1.26 -4.88 135.00 139.41 1jnj n PRO 72 Ca -0.00 -2.96 -0.39 0.00 -0.04 0.00 0.00 63.50 60.11 1jnj n PRO 72 Cb 0.42 -3.40 -0.03 0.00 -0.04 0.00 0.00 33.50 30.45 1jnj n PRO 72 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1jnj s THR 73 N 3.76 3.13 0.00 0.52 -4.23 -1.26 -4.12 115.64 113.44 1jnj s THR 73 Ca 0.51 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 61.12 1jnj s THR 73 Cb 0.09 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.68 1jnj s THR 73 CO 0.00 -0.21 0.00 1.21 -0.54 0.00 0.00 174.62 175.08 1jnj n GLU 74 N 8.89 0.00 -1.60 3.99 2.13 -1.26 -2.63 120.64 130.16 1jnj n GLU 74 Ca 0.30 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.81 1jnj n GLU 74 Cb 0.51 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.17 1jnj n GLU 74 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1jnj n LYS 75 N 14.00 3.27 -3.23 5.31 4.81 -1.26 -4.91 118.16 136.15 1jnj n LYS 75 Ca 0.00 -2.58 -0.38 0.00 -0.87 0.00 0.00 58.31 54.48 1jnj n LYS 75 Cb 0.00 -2.36 -0.06 0.00 0.02 0.00 0.00 35.03 32.63 1jnj n LYS 75 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1jnj s ASP 76 N 0.72 7.06 -0.00 3.14 1.11 -1.08 -5.06 116.67 122.56 1jnj s ASP 76 Ca 0.59 1.30 0.08 0.00 0.18 0.00 0.00 52.55 54.69 1jnj s ASP 76 Cb 0.29 -2.37 -0.02 0.00 1.07 0.00 0.00 42.92 41.88 1jnj s ASP 76 CO -0.14 0.21 -0.24 -0.70 1.18 0.00 0.00 175.17 175.48 1jnj s GLU 77 N -1.38 2.08 0.09 8.23 2.12 -1.26 -4.83 118.70 123.76 1jnj s GLU 77 Ca 0.33 -0.95 0.05 0.00 0.36 0.00 0.00 54.97 54.77 1jnj s GLU 77 Cb -0.19 -2.09 -0.04 0.00 0.26 0.00 0.00 34.13 32.08 1jnj s GLU 77 CO 0.20 0.55 -0.04 0.71 -0.54 0.00 0.00 175.26 176.15 1jnj s TYR 78 N -0.71 2.91 0.20 5.30 1.51 -1.26 -3.21 117.35 122.09 1jnj s TYR 78 Ca 0.11 -0.07 -0.03 0.00 -1.01 0.00 0.00 57.07 56.07 1jnj s TYR 78 Cb -0.10 -1.51 -0.03 0.00 -0.11 0.00 0.00 41.96 40.21 1jnj s TYR 78 CO 0.01 0.46 0.18 0.00 -1.11 0.00 0.00 175.55 175.08 1jnj s ALA 79 N -1.26 0.90 -0.15 3.71 0.00 0.06 -1.81 121.76 123.21 1jnj s ALA 79 Ca 0.24 -1.54 -0.03 0.00 0.00 0.00 0.00 51.96 50.63 1jnj s ALA 79 Cb -0.11 1.28 0.05 0.00 0.00 0.00 0.00 23.12 24.34 1jnj s ALA 79 CO 0.16 -0.62 0.06 0.00 0.00 0.00 0.00 175.76 175.36 1jnj s ARG 81 N 2.03 3.55 -0.23 0.00 3.52 -0.69 -0.95 118.95 126.18 1jnj s ARG 81 Ca 0.02 2.25 -0.02 0.00 -0.13 0.00 0.00 55.73 57.85 1jnj s ARG 81 Cb -0.15 -2.51 0.07 0.00 -1.56 0.00 0.00 34.95 30.80 1jnj s ARG 81 CO -0.07 -0.87 0.04 0.08 -0.81 0.00 0.00 175.30 173.67 1jnj s VAL 82 N -1.28 0.75 -0.48 7.11 1.01 -0.48 -4.23 120.40 122.80 1jnj s VAL 82 Ca 0.64 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.80 1jnj s VAL 82 Cb -0.40 -1.29 0.17 0.00 0.00 0.00 0.00 36.38 34.85 1jnj s VAL 82 CO 0.50 -0.31 0.37 0.21 0.00 0.00 0.00 175.10 175.87 1jnj s ASN 83 N 1.74 2.30 0.67 3.32 2.47 -0.65 -0.75 114.94 124.05 1jnj s ASN 83 Ca 0.01 -3.22 -0.14 0.00 0.42 0.00 0.00 52.86 49.93 1jnj s ASN 83 Cb -0.17 -0.73 0.01 0.00 -1.45 0.00 0.00 41.25 38.91 1jnj s ASN 83 CO -0.12 -0.16 1.10 -2.28 -3.72 0.00 0.00 177.10 171.92 1jnj s HIS 84 N -0.26 2.69 0.38 0.43 5.65 -1.26 -1.27 115.29 121.64 1jnj s HIS 84 Ca 0.30 1.54 0.12 0.00 0.25 0.00 0.00 55.06 57.27 1jnj s HIS 84 Cb 0.00 -3.11 0.92 0.00 -1.18 0.00 0.00 32.58 29.21 1jnj s HIS 84 CO -0.18 -1.61 1.86 -0.24 -0.65 0.00 0.00 174.74 173.92 1jnj h VAL 85 N -0.17 0.77 0.00 0.89 3.04 -1.18 -0.86 116.25 118.75 1jnj h VAL 85 Ca -0.46 -0.20 -0.02 0.00 -1.01 0.00 0.00 66.70 65.01 1jnj h VAL 85 Cb 1.24 0.14 -0.00 0.00 -2.01 0.00 0.00 31.29 30.65 1jnj h VAL 85 CO 0.54 0.11 -0.11 0.00 -1.01 0.00 0.00 177.57 177.09 1jnj h THR 86 N 0.58 0.20 -2.74 3.17 1.03 -1.92 -3.42 112.91 109.81 1jnj h THR 86 Ca 0.46 -1.22 -0.56 0.00 -0.01 0.00 0.00 66.41 65.07 1jnj h THR 86 Cb 0.88 2.05 -0.02 0.00 -1.07 0.00 0.00 68.15 69.98 1jnj h THR 86 CO -0.20 0.11 1.10 -0.76 -0.01 0.00 0.00 175.52 175.76 1jnj s LEU 87 N -6.28 4.00 0.00 0.00 1.02 -0.33 -4.88 118.68 112.21 1jnj s LEU 87 Ca 0.06 1.75 0.20 0.00 0.02 0.00 0.00 54.13 56.16 1jnj s LEU 87 Cb 0.06 -3.53 1.10 0.00 0.02 0.00 0.00 46.19 43.84 1jnj s LEU 87 CO 0.68 -1.16 1.61 -0.24 0.02 0.00 0.00 176.35 177.26 1jnj n SER 88 N 8.06 0.00 -3.79 2.29 2.88 -1.26 -4.68 113.62 117.11 1jnj n SER 88 Ca 0.18 -0.29 -0.13 0.00 -1.33 0.00 0.00 58.87 57.31 1jnj n SER 88 Cb 0.45 -0.16 -0.09 0.00 -0.75 0.00 0.00 64.21 63.66 1jnj n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jnj s GLN 89 N -2.31 0.59 -0.78 -1.46 -2.07 -1.26 -5.10 119.66 107.26 1jnj s GLN 89 Ca 0.24 -0.20 -0.26 0.00 -1.82 0.00 0.00 55.36 53.32 1jnj s GLN 89 Cb 0.14 0.26 0.01 0.00 -1.09 0.00 0.00 33.01 32.33 1jnj s GLN 89 CO 0.27 -0.15 1.54 -1.25 -1.32 0.00 0.00 175.29 174.38 1jnj s PRO 90 N -1.22 3.05 -0.68 9.60 0.04 -1.26 -4.70 135.00 139.82 1jnj s PRO 90 Ca -0.13 -0.20 -0.27 0.00 0.04 0.00 0.00 61.00 60.44 1jnj s PRO 90 Cb -0.06 -4.57 0.03 0.00 0.04 0.00 0.00 34.50 29.94 1jnj s PRO 90 CO 0.03 -2.46 1.30 0.21 0.04 0.00 0.00 177.00 176.12 1jnj s LYS 91 N 6.08 3.24 0.26 4.56 2.36 0.07 -4.78 119.74 131.54 1jnj s LYS 91 Ca 0.50 -0.03 -0.29 0.00 -2.55 0.00 0.00 55.97 53.59 1jnj s LYS 91 Cb -0.07 -4.15 -0.09 0.00 -1.05 0.00 0.00 37.83 32.46 1jnj s LYS 91 CO 0.10 -2.06 0.96 0.42 1.55 0.00 0.00 175.35 176.32 1jnj s ILE 92 N 5.76 4.03 -0.31 5.43 -1.09 -1.26 -1.38 121.20 132.39 1jnj s ILE 92 Ca 0.40 1.97 0.02 0.00 -2.23 0.00 0.00 60.65 60.81 1jnj s ILE 92 Cb -0.08 -4.23 0.09 0.00 -1.58 0.00 0.00 42.46 36.66 1jnj s ILE 92 CO 0.18 0.41 0.03 -0.69 -1.23 0.00 0.00 174.94 173.65 1jnj s VAL 93 N -1.26 1.72 0.30 2.92 1.01 -0.12 -4.94 120.40 120.03 1jnj s VAL 93 Ca 0.43 -1.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.31 1jnj s VAL 93 Cb -0.25 -2.20 -0.10 0.00 0.00 0.00 0.00 36.38 33.83 1jnj s VAL 93 CO 0.31 -0.49 1.30 -1.59 0.00 0.00 0.00 175.10 174.63 1jnj s LYS 94 N 1.22 4.38 -0.27 2.72 -2.85 -1.26 -0.92 119.74 122.75 1jnj s LYS 94 Ca 0.06 2.16 -0.24 0.00 -1.00 0.00 0.00 55.97 56.96 1jnj s LYS 94 Cb -0.19 -3.10 -0.00 0.00 -2.06 0.00 0.00 37.83 32.48 1jnj s LYS 94 CO -0.12 -0.18 0.79 -0.46 0.10 0.00 0.00 175.35 175.48 1jnj s TRP 95 N -0.86 3.25 0.62 1.78 -0.00 -0.75 -4.92 118.94 118.06 1jnj s TRP 95 Ca 0.50 0.95 -0.10 0.00 -0.00 0.00 0.00 56.10 57.45 1jnj s TRP 95 Cb -0.39 -3.11 -0.02 0.00 -0.00 0.00 0.00 33.47 29.96 1jnj s TRP 95 CO 0.49 -0.47 1.00 0.16 -0.00 0.00 0.00 176.95 178.13 1jnj s ASP 96 N 1.49 5.93 0.00 5.86 1.47 -1.26 -4.67 116.67 125.49 1jnj s ASP 96 Ca 0.33 1.18 0.00 0.00 1.18 0.00 0.00 52.55 55.24 1jnj s ASP 96 Cb -0.15 -2.19 0.00 0.00 -0.34 0.00 0.00 42.92 40.24 1jnj s ASP 96 CO 0.10 -0.99 0.33 0.54 0.68 0.00 0.00 175.17 175.83 1jnj n ARG 97 N -2.73 0.00 -2.69 2.11 5.12 -1.26 -4.85 116.66 112.36 1jnj n ARG 97 Ca 0.05 0.10 -0.05 0.00 -1.93 0.00 0.00 57.85 56.02 1jnj n ARG 97 Cb 0.55 -0.83 0.08 0.00 -1.16 0.00 0.00 32.46 31.10 1jnj n ARG 97 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1jnj n ASP 98 N -0.43 -1.68 0.00 0.55 2.03 -1.26 -4.75 116.55 111.02 1jnj n ASP 98 Ca 0.00 -2.25 0.00 0.00 0.52 0.00 0.00 54.79 53.06 1jnj n ASP 98 Cb 0.00 1.12 0.00 0.00 -0.72 0.00 0.00 41.12 41.52 1jnj n ASP 98 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08