#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnj s SER 2 N 0.00 3.15 0.01 1.61 0.15 -1.26 -5.15 113.70 112.21 2jnj s SER 2 Ca 0.00 -1.58 -0.28 0.00 0.70 0.00 0.00 55.95 54.79 2jnj s SER 2 Cb 0.00 0.30 0.10 0.00 -1.71 0.00 0.00 66.02 64.70 2jnj s SER 2 CO 0.00 -0.80 0.84 -1.38 1.20 0.00 0.00 173.24 173.10 2jnj s HIS 3 N -3.10 -0.39 -0.10 3.44 0.00 -1.26 -5.15 115.29 108.73 2jnj s HIS 3 Ca 0.23 0.30 -0.08 0.00 -3.00 0.00 0.00 55.06 52.51 2jnj s HIS 3 Cb 0.04 0.53 -0.04 0.00 -4.00 0.00 0.00 32.58 29.11 2jnj s HIS 3 CO 0.12 -0.59 0.17 -1.64 -1.00 0.00 0.00 174.74 171.81 2jnj s MET 4 N -3.00 3.49 -0.24 -0.38 1.00 -1.26 -5.05 119.30 113.85 2jnj s MET 4 Ca 0.03 -0.08 0.01 0.00 0.00 0.00 0.00 55.69 55.65 2jnj s MET 4 Cb -0.01 -3.19 0.06 0.00 0.00 0.00 0.00 34.83 31.70 2jnj s MET 4 CO -0.08 0.76 -0.04 0.08 0.00 0.00 0.00 175.02 175.74 2jnj s VAL 5 N -1.05 1.51 -0.16 -6.03 1.01 -1.26 -5.08 120.40 109.34 2jnj s VAL 5 Ca 0.17 -1.25 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 2jnj s VAL 5 Cb -0.13 -1.81 0.06 0.00 0.00 0.00 0.00 36.38 34.51 2jnj s VAL 5 CO 0.06 -0.15 0.07 0.20 0.00 0.00 0.00 175.10 175.29 2jnj s ASN 6 N 1.40 2.37 -0.11 3.32 0.01 -1.26 -5.09 114.94 115.57 2jnj s ASN 6 Ca -0.04 -0.60 0.02 0.00 -0.71 0.00 0.00 52.86 51.53 2jnj s ASN 6 Cb -0.19 -0.32 -0.01 0.00 0.41 0.00 0.00 41.25 41.14 2jnj s ASN 6 CO -0.07 -0.33 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.31 2jnj s VAL 7 N 2.07 2.51 0.09 1.60 1.01 -1.26 -5.11 120.40 121.31 2jnj s VAL 7 Ca 0.02 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 61.00 2jnj s VAL 7 Cb -0.16 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.24 2jnj s VAL 7 CO -0.08 0.54 0.33 -0.22 0.00 0.00 0.00 175.10 175.67 2jnj s LEU 8 N 0.36 0.74 -0.04 3.92 2.96 -1.26 -5.16 118.68 120.21 2jnj s LEU 8 Ca -0.15 -0.35 0.06 0.00 -0.22 0.00 0.00 54.13 53.47 2jnj s LEU 8 Cb -0.17 1.54 -0.02 0.00 0.50 0.00 0.00 46.19 48.04 2jnj s LEU 8 CO 0.07 -0.77 -0.22 -0.75 -1.32 0.00 0.00 176.35 173.37 2jnj s LYS 9 N -3.50 2.33 0.00 1.98 2.20 -1.26 -5.04 119.74 116.45 2jnj s LYS 9 Ca 0.01 -0.84 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 2jnj s LYS 9 Cb 0.02 -2.19 0.00 0.00 -1.51 0.00 0.00 37.83 34.15 2jnj s LYS 9 CO -0.09 0.55 0.00 0.41 -0.36 0.00 0.00 175.35 175.85 2jnj n GLY 10 N 2.49 -0.12 3.32 5.54 0.00 -1.26 -4.64 105.19 110.52 2jnj n GLY 10 Ca -0.17 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 2jnj n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jnj s VAL 11 N -4.00 2.96 -0.15 1.61 1.01 0.80 -4.74 120.40 117.90 2jnj s VAL 11 Ca 0.00 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 2jnj s VAL 11 Cb 0.00 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 2jnj s VAL 11 CO 0.00 0.51 0.20 -0.22 0.00 0.00 0.00 175.10 175.59 2jnj s LEU 12 N 0.69 4.29 0.04 3.92 2.96 -1.26 -1.11 118.68 128.21 2jnj s LEU 12 Ca -0.06 0.43 0.08 0.00 -0.22 0.00 0.00 54.13 54.36 2jnj s LEU 12 Cb -0.15 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.30 2jnj s LEU 12 CO 0.02 0.23 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.44 2jnj s ILE 13 N -0.08 2.59 -0.10 6.68 -1.09 0.49 -5.00 121.20 124.69 2jnj s ILE 13 Ca 0.14 -1.25 -0.01 0.00 -2.23 0.00 0.00 60.65 57.29 2jnj s ILE 13 Cb -0.12 -2.07 0.03 0.00 -1.58 0.00 0.00 42.46 38.72 2jnj s ILE 13 CO 0.02 0.35 -0.02 -0.70 -1.23 0.00 0.00 174.94 173.36 2jnj s GLU 14 N -1.38 0.91 0.30 2.79 2.12 -1.26 -2.35 118.70 119.83 2jnj s GLU 14 Ca 0.14 -0.06 -0.18 0.00 0.36 0.00 0.00 54.97 55.23 2jnj s GLU 14 Cb -0.10 -1.27 0.02 0.00 0.26 0.00 0.00 34.13 33.04 2jnj s GLU 14 CO 0.04 -0.32 0.69 0.00 -0.54 0.00 0.00 175.26 175.13 2jnj s ASP 16 N -2.98 5.48 0.00 0.00 -4.77 -1.26 -4.73 116.67 108.41 2jnj s ASP 16 Ca 0.15 2.68 0.00 0.00 -3.30 0.00 0.00 52.55 52.07 2jnj s ASP 16 Cb -0.05 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.15 2jnj s ASP 16 CO 0.09 -1.42 0.38 -2.65 0.70 0.00 0.00 175.17 172.27 2jnj n PRO 17 N -0.88 0.00 -0.32 2.11 -0.02 -1.26 -2.50 135.00 132.13 2jnj n PRO 17 Ca 0.09 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.53 2jnj n PRO 17 Cb 0.45 -1.47 0.08 0.00 -0.02 0.00 0.00 33.50 32.54 2jnj n PRO 17 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jnj h ALA 18 N 1.58 1.10 -0.41 3.55 0.00 -1.93 -0.66 119.26 122.48 2jnj h ALA 18 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2jnj h ALA 18 Cb 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2jnj h ALA 18 CO 0.00 0.61 -0.03 0.00 0.00 0.00 0.00 179.25 179.83 2jnj h MET 19 N 1.20 0.68 -0.37 0.00 -0.00 -1.85 -2.75 114.93 111.84 2jnj h MET 19 Ca 0.30 -0.18 -0.06 0.00 -0.00 0.00 0.00 59.70 59.77 2jnj h MET 19 Cb 0.03 -0.08 -0.01 0.00 -0.00 0.00 0.00 31.60 31.53 2jnj h MET 19 CO -0.05 0.72 0.01 -0.22 -0.00 0.00 0.00 176.91 177.37 2jnj h LYS 20 N 0.64 0.65 -0.55 -0.10 3.11 -1.47 -0.86 116.57 117.99 2jnj h LYS 20 Ca 0.13 -0.20 -0.03 0.00 -2.81 0.00 0.00 60.65 57.74 2jnj h LYS 20 Cb 0.44 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.58 2jnj h LYS 20 CO 0.02 0.75 0.24 1.96 -2.81 0.00 0.00 179.45 179.61 2jnj h GLN 21 N 0.48 0.80 -0.28 1.90 1.08 -0.90 0.28 115.11 118.47 2jnj h GLN 21 Ca 0.11 -0.13 -0.13 0.00 -1.45 0.00 0.00 58.65 57.05 2jnj h GLN 21 Cb 0.45 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 2jnj h GLN 21 CO 0.02 0.68 -0.35 0.27 -0.95 0.00 0.00 178.83 178.49 2jnj h PHE 22 N 0.74 0.72 -0.70 2.96 -5.15 -1.33 -2.77 116.94 111.41 2jnj h PHE 22 Ca 0.19 -0.19 -0.02 0.00 -0.20 0.00 0.00 57.97 57.75 2jnj h PHE 22 Cb 0.16 -0.16 -0.03 0.00 0.22 0.00 0.00 35.95 36.13 2jnj h PHE 22 CO 0.00 0.88 0.38 1.25 -2.00 0.00 0.00 178.31 178.82 2jnj h LEU 23 N 0.52 0.88 -0.62 2.10 5.85 -0.30 0.19 115.31 123.93 2jnj h LEU 23 Ca 0.05 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.56 2jnj h LEU 23 Cb 0.85 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 2jnj h LEU 23 CO 0.07 0.73 -0.16 0.17 -0.34 0.00 0.00 178.44 178.91 2jnj h LEU 24 N 0.97 0.92 -0.68 2.25 8.10 -0.42 0.24 115.31 126.69 2jnj h LEU 24 Ca 0.25 -0.32 -0.08 0.00 0.11 0.00 0.00 57.88 57.84 2jnj h LEU 24 Cb 0.05 -0.25 -0.03 0.00 -0.44 0.00 0.00 40.66 39.99 2jnj h LEU 24 CO -0.04 1.07 0.09 0.22 -4.11 0.00 0.00 178.44 175.68 2jnj h TYR 25 N 0.81 1.18 -0.16 0.17 3.20 -1.13 0.18 116.97 121.22 2jnj h TYR 25 Ca 0.12 -0.17 -0.18 0.00 3.14 0.00 0.00 58.73 61.64 2jnj h TYR 25 Cb 0.70 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 2jnj h TYR 25 CO 0.04 0.99 -0.65 1.25 -1.64 0.00 0.00 178.16 178.16 2jnj h LEU 26 N 1.03 0.68 -0.37 2.82 5.85 -0.40 0.21 115.31 125.13 2jnj h LEU 26 Ca 0.20 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 2jnj h LEU 26 Cb 0.46 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2jnj h LEU 26 CO 0.02 1.15 0.21 -0.78 -0.34 0.00 0.00 178.44 178.69 2jnj h ASP 27 N 0.43 0.46 -0.70 1.25 3.58 -0.19 0.15 116.42 121.39 2jnj h ASP 27 Ca -0.01 -0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.37 2jnj h ASP 27 Cb 1.22 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 42.12 2jnj h ASP 27 CO 0.12 0.41 0.45 -0.08 -2.88 0.00 0.00 179.24 177.26 2jnj h GLU 28 N 0.47 0.87 0.00 0.28 4.57 -0.44 -1.90 114.58 118.43 2jnj h GLU 28 Ca 0.13 -0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 58.15 2jnj h GLU 28 Cb 0.05 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.42 2jnj h GLU 28 CO -0.02 0.58 -0.52 0.77 -1.18 0.00 0.00 179.01 178.63 2jnj h SER 29 N 0.90 0.00 -3.87 1.04 0.02 -0.26 -3.47 113.55 107.91 2jnj h SER 29 Ca 0.27 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.81 2jnj h SER 29 Cb -0.05 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.53 2jnj h SER 29 CO -0.08 0.52 -0.58 -3.20 -1.14 0.00 0.00 176.83 172.36 2jnj n ASN 30 N -3.58 -6.04 0.30 3.07 5.15 0.50 -4.86 115.26 109.79 2jnj n ASN 30 Ca -0.00 -0.19 0.16 0.00 -0.60 0.00 0.00 54.58 53.95 2jnj n ASN 30 Cb 0.60 -4.92 0.93 0.00 -0.53 0.00 0.00 39.78 35.86 2jnj n ASN 30 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jnj h ALA 31 N 0.99 1.38 -0.54 5.20 0.00 -1.85 -0.11 119.26 124.33 2jnj h ALA 31 Ca -0.52 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2jnj h ALA 31 Cb 1.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2jnj h ALA 31 CO 0.57 0.03 0.00 1.28 0.00 0.00 0.00 179.25 181.13 2jnj n LEU 32 N -3.66 3.68 0.00 0.00 4.77 -1.26 -4.70 117.00 115.83 2jnj n LEU 32 Ca -0.03 -1.72 0.00 0.00 -0.03 0.00 0.00 56.01 54.23 2jnj n LEU 32 Cb 0.11 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2jnj n LEU 32 CO 0.27 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 2jnj n GLY 33 N 1.55 0.22 3.14 -0.72 0.00 -0.06 -4.90 105.19 104.42 2jnj n GLY 33 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 2jnj n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jnj s LYS 34 N -0.92 0.77 -0.77 1.61 3.01 -1.26 -5.08 119.74 117.10 2jnj s LYS 34 Ca 0.00 -1.31 -0.22 0.00 -1.01 0.00 0.00 55.97 53.43 2jnj s LYS 34 Cb 0.00 -0.01 0.08 0.00 -1.01 0.00 0.00 37.83 36.89 2jnj s LYS 34 CO 0.00 -0.08 1.08 0.15 0.51 0.00 0.00 175.35 177.01 2jnj s LYS 35 N -3.89 3.29 -0.08 1.68 -0.14 -1.26 -4.85 119.74 114.49 2jnj s LYS 35 Ca 0.11 -1.05 -0.20 0.00 -1.36 0.00 0.00 55.97 53.47 2jnj s LYS 35 Cb 0.07 -4.51 -0.16 0.00 -1.68 0.00 0.00 37.83 31.55 2jnj s LYS 35 CO -0.06 -1.87 0.73 0.27 -0.76 0.00 0.00 175.35 173.66 2jnj h PHE 36 N 9.44 -0.12 -3.53 3.18 -5.15 -1.96 -3.41 116.94 115.40 2jnj h PHE 36 Ca -0.13 -0.00 -0.56 0.00 -0.20 0.00 0.00 57.97 57.08 2jnj h PHE 36 Cb 1.05 0.04 -0.07 0.00 0.22 0.00 0.00 35.95 37.19 2jnj h PHE 36 CO 1.06 0.39 0.96 -1.50 -2.00 0.00 0.00 178.31 177.22 2jnj s ILE 37 N -2.89 4.11 -0.16 0.88 -1.16 -1.26 -3.44 121.20 117.29 2jnj s ILE 37 Ca -0.12 1.10 -0.23 0.00 -0.51 0.00 0.00 60.65 60.89 2jnj s ILE 37 Cb -0.00 -4.59 -0.20 0.00 0.61 0.00 0.00 42.46 38.28 2jnj s ILE 37 CO 0.46 -1.07 0.46 0.40 -2.81 0.00 0.00 174.94 172.38 2jnj h ILE 38 N 6.25 1.24 -3.62 2.00 2.04 -1.07 -3.47 117.51 120.88 2jnj h ILE 38 Ca -0.24 -2.12 -0.24 0.00 1.00 0.00 0.00 64.86 63.26 2jnj h ILE 38 Cb 1.07 2.54 -0.29 0.00 -0.74 0.00 0.00 36.82 39.39 2jnj h ILE 38 CO 1.14 0.42 -0.70 0.00 0.00 0.00 0.00 178.15 179.01 2jnj s GLN 39 N -2.23 0.02 -0.42 2.37 -2.07 -1.24 -5.04 119.66 111.05 2jnj s GLN 39 Ca -0.21 0.08 -0.25 0.00 -1.82 0.00 0.00 55.36 53.16 2jnj s GLN 39 Cb 0.01 -0.05 0.02 0.00 -1.09 0.00 0.00 33.01 31.90 2jnj s GLN 39 CO 0.58 -0.05 0.90 -0.51 -1.32 0.00 0.00 175.29 174.89 2jnj s ASP 40 N 0.29 6.56 -1.28 12.60 1.01 -1.26 -1.89 116.67 132.69 2jnj s ASP 40 Ca -0.02 0.28 -0.09 0.00 0.71 0.00 0.00 52.55 53.43 2jnj s ASP 40 Cb -0.03 -2.44 0.17 0.00 1.01 0.00 0.00 42.92 41.62 2jnj s ASP 40 CO -0.01 -0.94 1.93 2.30 0.21 0.00 0.00 175.17 178.65 2jnj n ILE 41 N 6.19 4.52 -2.92 0.77 -5.35 0.34 -4.71 119.36 118.20 2jnj n ILE 41 Ca 0.06 -4.47 -0.02 0.00 -0.27 0.00 0.00 62.75 58.06 2jnj n ILE 41 Cb 0.48 -2.31 -0.01 0.00 -1.74 0.00 0.00 39.64 36.06 2jnj n ILE 41 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2jnj n ASP 42 N 3.44 -5.48 0.00 7.28 2.03 -1.26 -2.14 116.55 120.42 2jnj n ASP 42 Ca 0.42 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.81 2jnj n ASP 42 Cb 0.35 -2.61 0.00 0.00 -0.72 0.00 0.00 41.12 38.14 2jnj n ASP 42 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2jnj n ASP 43 N 2.30 0.00 -0.04 1.67 2.03 -1.26 -3.54 116.55 117.72 2jnj n ASP 43 Ca -0.12 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.14 2jnj n ASP 43 Cb 0.19 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.54 2jnj n ASP 43 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2jnj n THR 44 N 0.00 0.46 -3.61 5.18 -1.04 -1.26 -4.58 114.28 109.43 2jnj n THR 44 Ca 0.00 -0.23 -0.36 0.00 -2.04 0.00 0.00 64.05 61.42 2jnj n THR 44 Cb 0.00 -0.81 -0.06 0.00 -1.82 0.00 0.00 70.33 67.64 2jnj n THR 44 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2jnj s HIS 45 N -2.16 3.62 0.02 -1.42 3.76 -0.91 -4.14 115.29 114.05 2jnj s HIS 45 Ca -0.07 0.78 0.06 0.00 -0.15 0.00 0.00 55.06 55.68 2jnj s HIS 45 Cb 0.02 -2.14 -0.02 0.00 1.11 0.00 0.00 32.58 31.55 2jnj s HIS 45 CO 0.23 0.58 -0.19 0.08 -0.85 0.00 0.00 174.74 174.60 2jnj s VAL 46 N -1.29 1.48 -0.11 -0.90 1.01 -0.99 -0.50 120.40 119.10 2jnj s VAL 46 Ca 0.29 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2jnj s VAL 46 Cb -0.14 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 34.98 2jnj s VAL 46 CO 0.16 0.27 -0.21 0.12 0.00 0.00 0.00 175.10 175.44 2jnj s PHE 47 N -0.64 2.36 -0.02 5.22 5.36 -0.79 -0.38 117.98 129.09 2jnj s PHE 47 Ca 0.06 -1.03 0.02 0.00 -0.96 0.00 0.00 56.93 55.02 2jnj s PHE 47 Cb -0.08 -1.61 0.00 0.00 -0.34 0.00 0.00 43.02 40.99 2jnj s PHE 47 CO 0.01 -0.45 -0.08 0.54 -1.46 0.00 0.00 175.22 173.78 2jnj s VAL 48 N 0.57 0.68 0.29 3.12 0.11 -0.27 -0.59 120.40 124.32 2jnj s VAL 48 Ca -0.14 -0.31 -0.24 0.00 -2.93 0.00 0.00 61.98 58.36 2jnj s VAL 48 Cb -0.17 -0.61 -0.09 0.00 -1.53 0.00 0.00 36.38 33.98 2jnj s VAL 48 CO 0.04 0.21 0.87 -0.51 -3.33 0.00 0.00 175.10 172.39 2jnj s ILE 49 N 0.16 4.34 0.47 7.04 2.07 -1.22 -0.14 121.20 133.92 2jnj s ILE 49 Ca -0.02 1.63 0.35 0.00 -1.41 0.00 0.00 60.65 61.20 2jnj s ILE 49 Cb -0.07 -3.95 0.38 0.00 0.13 0.00 0.00 42.46 38.94 2jnj s ILE 49 CO 0.00 0.16 2.19 0.00 -1.91 0.00 0.00 174.94 175.38 2jnj h ALA 50 N 3.24 1.16 -0.55 1.50 0.00 -1.85 -2.19 119.26 120.58 2jnj h ALA 50 Ca -0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2jnj h ALA 50 Cb 1.19 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2jnj h ALA 50 CO 0.65 0.05 0.31 0.93 0.00 0.00 0.00 179.25 181.19 2jnj h GLU 51 N 0.00 0.75 -0.12 0.00 4.39 -1.95 -2.66 114.58 115.00 2jnj h GLU 51 Ca -0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2jnj h GLU 51 Cb 0.20 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2jnj h GLU 51 CO 0.01 0.54 0.00 1.47 -1.16 0.00 0.00 179.01 179.87 2jnj n LEU 52 N -4.41 2.52 0.19 1.33 -0.00 -0.95 -4.47 117.00 111.20 2jnj n LEU 52 Ca 0.05 -2.33 0.03 0.00 -0.00 0.00 0.00 56.01 53.76 2jnj n LEU 52 Cb 0.09 -0.20 0.39 0.00 -0.00 0.00 0.00 43.42 43.69 2jnj n LEU 52 CO 0.37 0.62 0.76 1.62 -0.00 0.00 0.00 177.39 180.75 2jnj h VAL 53 N 0.71 1.24 -0.75 1.47 3.04 -1.03 -0.44 116.25 120.49 2jnj h VAL 53 Ca 0.00 -1.16 0.14 0.00 -1.01 0.00 0.00 66.70 64.67 2jnj h VAL 53 Cb 0.76 1.63 -0.05 0.00 -2.01 0.00 0.00 31.29 31.62 2jnj h VAL 53 CO 0.03 0.33 0.50 0.78 -1.01 0.00 0.00 177.57 178.20 2jnj h ASN 54 N 0.00 0.43 0.15 3.17 4.21 -1.78 0.26 115.58 122.01 2jnj h ASN 54 Ca -0.00 0.02 -0.21 0.00 1.21 0.00 0.00 56.30 57.32 2jnj h ASN 54 Cb 0.60 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 2jnj h ASN 54 CO 0.04 0.23 -0.83 0.58 -1.29 0.00 0.00 177.43 176.16 2jnj h VAL 55 N 0.46 1.35 -0.28 2.81 2.07 -1.39 -1.36 116.25 119.91 2jnj h VAL 55 Ca 0.37 -2.19 -0.12 0.00 0.82 0.00 0.00 66.70 65.58 2jnj h VAL 55 Cb 0.79 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 2jnj h VAL 55 CO -0.12 0.67 -0.33 0.25 0.02 0.00 0.00 177.57 178.05 2jnj h LEU 56 N 0.34 0.62 -0.38 2.57 7.12 -0.87 -0.29 115.31 124.42 2jnj h LEU 56 Ca -0.06 -0.25 -0.03 0.00 0.13 0.00 0.00 57.88 57.67 2jnj h LEU 56 Cb 1.44 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 41.39 2jnj h LEU 56 CO 0.15 0.90 0.11 1.56 -0.13 0.00 0.00 178.44 181.03 2jnj h GLN 57 N 0.50 0.59 -0.10 1.25 1.08 0.06 0.12 115.11 118.61 2jnj h GLN 57 Ca 0.06 -0.13 -0.13 0.00 -1.45 0.00 0.00 58.65 56.99 2jnj h GLN 57 Cb 0.82 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 2jnj h GLN 57 CO 0.07 0.62 -0.52 1.05 -0.95 0.00 0.00 178.83 179.10 2jnj h GLU 58 N 0.46 0.28 -0.54 1.46 4.11 -1.19 0.68 114.58 119.85 2jnj h GLU 58 Ca 0.12 -0.17 0.01 0.00 0.07 0.00 0.00 59.36 59.39 2jnj h GLU 58 Cb 0.28 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2jnj h GLU 58 CO -0.00 0.74 0.35 -0.09 0.07 0.00 0.00 179.01 180.07 2jnj h ARG 59 N 0.22 0.68 -0.17 1.06 9.65 -0.40 0.21 114.38 125.64 2jnj h ARG 59 Ca 0.01 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.78 2jnj h ARG 59 Cb 0.99 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 29.41 2jnj h ARG 59 CO 0.08 0.45 -0.14 0.28 2.80 0.00 0.00 179.97 183.45 2jnj h VAL 60 N 0.70 1.33 -0.06 0.20 2.07 -0.46 -2.46 116.25 117.57 2jnj h VAL 60 Ca 0.20 -1.26 -0.10 0.00 0.82 0.00 0.00 66.70 66.36 2jnj h VAL 60 Cb -0.05 1.78 0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2jnj h VAL 60 CO -0.06 0.38 -0.36 1.23 0.02 0.00 0.00 177.57 178.78 2jnj h GLY 61 N 0.05 0.39 1.25 2.17 0.00 -0.71 -3.34 103.07 102.88 2jnj h GLY 61 Ca 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.80 2jnj h GLY 61 CO 0.04 0.50 -0.72 0.83 0.00 0.00 0.00 176.54 177.18 2jnj h GLU 62 N -0.15 0.00 -0.13 4.80 4.39 -0.70 -3.37 114.58 119.43 2jnj h GLU 62 Ca -0.03 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.71 2jnj h GLU 62 Cb 1.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 2jnj h GLU 62 CO 0.07 0.00 0.20 1.25 -1.16 0.00 0.00 179.01 179.37 2jnj h LEU 63 N 0.00 0.00 -0.23 1.33 5.85 -1.50 0.14 115.31 120.90 2jnj h LEU 63 Ca 0.00 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 2jnj h LEU 63 Cb 0.96 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 2jnj h LEU 63 CO 0.00 0.00 0.05 0.24 -0.34 0.00 0.00 178.44 178.39 2jnj h MET 64 N 0.00 0.14 0.02 1.25 2.86 -1.80 -3.28 114.93 114.12 2jnj h MET 64 Ca 0.06 -0.01 -0.33 0.00 -2.06 0.00 0.00 59.70 57.36 2jnj h MET 64 Cb 0.46 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.05 2jnj h MET 64 CO -0.00 0.09 -1.83 -3.47 1.06 0.00 0.00 176.91 172.76 2jnj n ASP 65 N -5.08 1.95 -3.63 1.22 2.03 -0.36 -5.03 116.55 107.64 2jnj n ASP 65 Ca -0.02 0.31 -0.07 0.00 0.52 0.00 0.00 54.79 55.53 2jnj n ASP 65 Cb 0.10 -0.86 -0.07 0.00 -0.72 0.00 0.00 41.12 39.57 2jnj n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jnj s GLN 66 N -2.45 0.35 -0.51 -0.67 0.00 0.35 -5.09 119.66 111.64 2jnj s GLN 66 Ca -0.31 0.35 -0.11 0.00 -0.00 0.00 0.00 55.36 55.29 2jnj s GLN 66 Cb 0.09 0.17 0.13 0.00 0.00 0.00 0.00 33.01 33.40 2jnj s GLN 66 CO 0.60 -0.06 0.41 1.21 0.00 0.00 0.00 175.29 177.45 2jnj s ASN 67 N -0.07 5.85 -1.08 12.60 3.84 -1.26 -3.61 114.94 131.21 2jnj s ASN 67 Ca 0.04 -1.96 -0.13 0.00 0.21 0.00 0.00 52.86 51.03 2jnj s ASN 67 Cb -0.04 -2.06 0.22 0.00 -0.55 0.00 0.00 41.25 38.81 2jnj s ASN 67 CO -0.08 -0.72 1.17 0.00 -2.79 0.00 0.00 177.10 174.68 2jnj s ALA 68 N 1.30 4.23 -1.06 1.71 0.00 -1.26 -4.87 121.76 121.81 2jnj s ALA 68 Ca 0.06 -3.48 -0.06 0.00 0.00 0.00 0.00 51.96 48.48 2jnj s ALA 68 Cb -0.26 -3.81 0.28 0.00 0.00 0.00 0.00 23.12 19.33 2jnj s ALA 68 CO -0.00 -2.50 1.15 0.34 0.00 0.00 0.00 175.76 174.75 2jnj n PHE 69 N 4.34 4.32 -3.16 0.00 -0.00 -1.26 -4.77 117.46 116.93 2jnj n PHE 69 Ca 0.27 -3.63 0.03 0.00 -0.00 0.00 0.00 57.45 54.12 2jnj n PHE 69 Cb 0.43 -1.47 -0.01 0.00 -0.00 0.00 0.00 39.48 38.43 2jnj n PHE 69 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2jnj s SER 70 N 0.19 -1.45 -0.32 -2.13 0.15 -1.26 -4.91 113.70 103.96 2jnj s SER 70 Ca 0.31 0.46 -0.01 0.00 0.70 0.00 0.00 55.95 57.41 2jnj s SER 70 Cb -0.05 2.05 0.10 0.00 -1.71 0.00 0.00 66.02 66.42 2jnj s SER 70 CO -0.04 -0.29 0.12 -1.48 1.20 0.00 0.00 173.24 172.76 2jnj s LEU 71 N 2.83 2.03 0.16 3.45 2.34 -1.26 -4.82 118.68 123.41 2jnj s LEU 71 Ca 0.15 -1.71 0.25 0.00 0.06 0.00 0.00 54.13 52.88 2jnj s LEU 71 Cb -0.12 -0.80 0.63 0.00 -0.56 0.00 0.00 46.19 45.34 2jnj s LEU 71 CO -0.24 -0.40 1.59 1.07 -1.06 0.00 0.00 176.35 177.31 2jnj n THR 72 N 4.74 0.46 0.00 5.48 5.66 -1.26 -4.65 114.28 124.71 2jnj n THR 72 Ca -0.01 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 2jnj n THR 72 Cb 0.41 -0.38 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 2jnj n THR 72 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 2jnj n GLN 73 N -2.15 0.00 0.00 1.09 7.27 -1.26 -5.36 117.38 116.96 2jnj n GLN 73 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.12 2jnj n GLN 73 Cb 0.43 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.08 2jnj n GLN 73 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76