#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 2.15 0.13 1.61 0.15 -1.26 -5.11 113.70 111.37 2jnj s SER 2 Ca 0.00 -0.50 -0.04 0.00 0.70 0.00 0.00 55.95 56.11 2jnj s SER 2 Cb 0.00 -0.23 0.02 0.00 -1.71 0.00 0.00 66.02 64.10 2jnj s SER 2 CO 0.00 -0.33 0.25 0.00 1.20 0.00 0.00 173.24 174.36 2jnj n HIS 3 N 5.28 -1.33 -4.15 3.44 -0.00 -1.26 -5.18 115.22 112.02 2jnj n HIS 3 Ca -0.06 -0.68 -0.08 0.00 -0.00 0.00 0.00 57.72 56.89 2jnj n HIS 3 Cb 0.49 0.29 -0.03 0.00 -0.00 0.00 0.00 29.99 30.75 2jnj n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2jnj n MET 4 N -0.19 0.56 -3.80 -1.40 2.00 -1.26 -5.12 117.12 107.91 2jnj n MET 4 Ca -0.02 -1.24 -0.29 0.00 0.00 0.00 0.00 57.70 56.15 2jnj n MET 4 Cb 0.21 0.80 -0.16 0.00 0.00 0.00 0.00 33.22 34.07 2jnj n MET 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2jnj s VAL 5 N -2.24 1.02 -0.29 2.03 1.01 -1.26 -5.08 120.40 115.59 2jnj s VAL 5 Ca 0.10 -1.16 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 2jnj s VAL 5 Cb 0.00 -1.57 0.11 0.00 0.00 0.00 0.00 36.38 34.93 2jnj s VAL 5 CO 0.07 -0.39 0.17 0.20 0.00 0.00 0.00 175.10 175.16 2jnj s ASN 6 N 1.59 3.00 -0.11 3.32 0.02 -1.26 -5.10 114.94 116.40 2jnj s ASN 6 Ca 0.03 -1.13 0.03 0.00 -1.02 0.00 0.00 52.86 50.77 2jnj s ASN 6 Cb -0.18 -0.11 -0.01 0.00 0.02 0.00 0.00 41.25 40.98 2jnj s ASN 6 CO -0.14 -0.42 -0.20 0.54 0.02 0.00 0.00 177.10 176.89 2jnj s VAL 7 N 2.17 2.39 0.26 1.60 0.11 -1.26 -5.12 120.40 120.56 2jnj s VAL 7 Ca 0.09 -0.90 -0.21 0.00 -2.93 0.00 0.00 61.98 58.03 2jnj s VAL 7 Cb -0.15 -1.95 0.02 0.00 -1.53 0.00 0.00 36.38 32.77 2jnj s VAL 7 CO -0.35 0.55 0.69 -1.48 -3.33 0.00 0.00 175.10 171.18 2jnj s LEU 8 N 0.34 -0.26 -0.12 2.54 2.34 -1.26 -5.16 118.68 117.10 2jnj s LEU 8 Ca -0.16 -0.55 -0.04 0.00 0.06 0.00 0.00 54.13 53.44 2jnj s LEU 8 Cb -0.17 2.66 -0.03 0.00 -0.56 0.00 0.00 46.19 48.08 2jnj s LEU 8 CO 0.08 -1.29 0.03 -0.75 -1.06 0.00 0.00 176.35 173.36 2jnj s LYS 9 N -3.90 3.31 0.00 1.48 2.36 -1.26 -4.99 119.74 116.73 2jnj s LYS 9 Ca 0.10 -0.37 0.00 0.00 -2.55 0.00 0.00 55.97 53.15 2jnj s LYS 9 Cb -0.05 -2.94 0.00 0.00 -1.05 0.00 0.00 37.83 33.79 2jnj s LYS 9 CO 0.05 0.58 0.00 0.41 1.55 0.00 0.00 175.35 177.94 2jnj n GLY 10 N 2.54 -0.63 3.08 5.54 0.00 -1.26 -4.66 105.19 109.80 2jnj n GLY 10 Ca -0.18 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.98 1.08 -0.17 1.61 1.01 0.99 -4.53 120.40 118.41 2jnj s VAL 11 Ca 0.00 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.29 2jnj s VAL 11 Cb 0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 2jnj s VAL 11 CO 0.00 0.32 0.30 -0.22 0.00 0.00 0.00 175.10 175.49 2jnj s LEU 12 N -0.06 4.22 -0.03 3.92 2.96 -1.26 -1.34 118.68 127.09 2jnj s LEU 12 Ca 0.00 0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 2jnj s LEU 12 Cb -0.08 -2.37 0.02 0.00 0.50 0.00 0.00 46.19 44.26 2jnj s LEU 12 CO 0.00 0.07 -0.01 -0.51 -1.32 0.00 0.00 176.35 174.59 2jnj s ILE 13 N 0.62 0.25 0.03 6.68 2.07 -0.08 -5.01 121.20 125.76 2jnj s ILE 13 Ca 0.16 0.03 -0.01 0.00 -1.41 0.00 0.00 60.65 59.42 2jnj s ILE 13 Cb -0.13 -0.32 -0.03 0.00 0.13 0.00 0.00 42.46 42.11 2jnj s ILE 13 CO 0.04 0.15 -0.01 -1.83 -1.91 0.00 0.00 174.94 171.39 2jnj s GLU 14 N 0.90 0.48 0.00 3.50 -1.05 -1.26 -0.60 118.70 120.67 2jnj s GLU 14 Ca -0.10 -0.87 0.00 0.00 -0.15 0.00 0.00 54.97 53.85 2jnj s GLU 14 Cb -0.13 0.17 0.00 0.00 -0.44 0.00 0.00 34.13 33.73 2jnj s GLU 14 CO -0.01 -0.09 0.00 0.00 0.95 0.00 0.00 175.26 176.11 2jnj s ASP 16 N 2.00 6.28 0.09 0.00 -1.08 -1.26 -4.90 116.67 117.81 2jnj s ASP 16 Ca 0.00 2.17 0.04 0.00 -0.52 0.00 0.00 52.55 54.24 2jnj s ASP 16 Cb 0.00 -2.59 0.21 0.00 -1.46 0.00 0.00 42.92 39.08 2jnj s ASP 16 CO 0.00 -0.83 0.96 -2.65 0.52 0.00 0.00 175.17 173.17 2jnj n PRO 17 N -0.55 0.03 -0.16 4.34 -0.02 -1.26 -0.91 135.00 136.46 2jnj n PRO 17 Ca 0.08 0.39 -0.03 0.00 -2.02 0.00 0.00 63.50 61.92 2jnj n PRO 17 Cb 0.49 -1.79 0.06 0.00 -0.02 0.00 0.00 33.50 32.24 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 1.28 0.61 -0.66 3.55 0.00 -1.98 -0.70 119.26 121.35 2jnj h ALA 18 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2jnj h ALA 18 Cb 0.41 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2jnj h ALA 18 CO 0.00 -0.22 0.37 1.98 0.00 0.00 0.00 179.25 181.38 2jnj h MET 19 N 0.35 0.92 -0.77 0.00 1.85 -1.39 -2.25 114.93 113.63 2jnj h MET 19 Ca 0.24 -0.10 0.06 0.00 -0.61 0.00 0.00 59.70 59.28 2jnj h MET 19 Cb 0.25 -0.18 -0.06 0.00 0.43 0.00 0.00 31.60 32.04 2jnj h MET 19 CO -0.24 0.68 0.46 -0.22 -0.40 0.00 0.00 176.91 177.19 2jnj h LYS 20 N 0.90 0.82 -0.42 0.39 1.63 -1.47 -0.79 116.57 117.63 2jnj h LYS 20 Ca 0.23 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.89 2jnj h LYS 20 Cb 0.03 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 31.45 2jnj h LYS 20 CO -0.04 0.55 -0.12 1.96 -3.45 0.00 0.00 179.45 178.35 2jnj h GLN 21 N 0.85 0.76 -0.22 1.90 1.08 -0.56 -1.43 115.11 117.48 2jnj h GLN 21 Ca 0.34 -0.25 -0.10 0.00 -1.45 0.00 0.00 58.65 57.18 2jnj h GLN 21 Cb 0.17 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2jnj h GLN 21 CO -0.17 0.85 -0.31 0.27 -0.95 0.00 0.00 178.83 178.52 2jnj h PHE 22 N 0.69 0.51 -0.40 2.96 -5.15 -1.06 -2.49 116.94 112.00 2jnj h PHE 22 Ca 0.11 -0.12 0.00 0.00 -0.20 0.00 0.00 57.97 57.76 2jnj h PHE 22 Cb 0.60 -0.12 -0.02 0.00 0.22 0.00 0.00 35.95 36.63 2jnj h PHE 22 CO 0.03 0.71 0.25 -0.07 -2.00 0.00 0.00 178.31 177.23 2jnj h LEU 23 N 0.39 0.46 -0.48 2.10 3.38 -0.22 0.21 115.31 121.15 2jnj h LEU 23 Ca 0.05 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2jnj h LEU 23 Cb 0.74 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2jnj h LEU 23 CO 0.06 0.36 -0.10 0.17 0.09 0.00 0.00 178.44 179.02 2jnj h LEU 24 N 0.53 0.92 -0.47 1.67 8.10 -1.24 -0.44 115.31 124.38 2jnj h LEU 24 Ca 0.14 -0.35 -0.10 0.00 0.11 0.00 0.00 57.88 57.69 2jnj h LEU 24 Cb -0.03 -0.25 -0.02 0.00 -0.44 0.00 0.00 40.66 39.92 2jnj h LEU 24 CO -0.03 1.06 -0.08 0.22 -4.11 0.00 0.00 178.44 175.50 2jnj h TYR 25 N 0.76 0.98 -0.15 0.17 3.20 -1.16 -1.79 116.97 118.98 2jnj h TYR 25 Ca 0.12 -0.20 -0.13 0.00 3.14 0.00 0.00 58.73 61.66 2jnj h TYR 25 Cb 0.64 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 2jnj h TYR 25 CO 0.05 0.95 -0.48 1.25 -1.64 0.00 0.00 178.16 178.29 2jnj h LEU 26 N 0.72 0.42 -0.85 2.82 7.12 -0.47 0.06 115.31 125.13 2jnj h LEU 26 Ca 0.12 -0.20 -0.10 0.00 0.13 0.00 0.00 57.88 57.83 2jnj h LEU 26 Cb 0.62 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.62 2jnj h LEU 26 CO 0.04 0.84 -0.21 -0.78 -0.13 0.00 0.00 178.44 178.20 2jnj h ASP 27 N 0.31 0.63 -0.14 1.25 3.58 -0.84 0.51 116.42 121.72 2jnj h ASP 27 Ca 0.02 -0.21 -0.10 0.00 0.42 0.00 0.00 57.03 57.16 2jnj h ASP 27 Cb 0.96 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.84 2jnj h ASP 27 CO 0.08 0.84 -0.30 -0.33 -2.88 0.00 0.00 179.24 176.65 2jnj h GLU 28 N 0.56 0.45 -0.08 0.28 5.08 -0.89 -3.29 114.58 116.69 2jnj h GLU 28 Ca 0.08 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 2jnj h GLU 28 Cb 0.66 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 2jnj h GLU 28 CO 0.05 0.91 -0.05 0.77 -1.00 0.00 0.00 179.01 179.69 2jnj h SER 29 N 0.06 0.19 -5.65 1.42 0.02 -0.84 -3.48 113.55 105.27 2jnj h SER 29 Ca 0.00 -0.43 -0.21 0.00 -0.84 0.00 0.00 61.79 60.31 2jnj h SER 29 Cb 0.90 -0.05 0.09 0.00 0.14 0.00 0.00 62.40 63.48 2jnj h SER 29 CO 0.07 0.58 -0.57 -3.20 -1.14 0.00 0.00 176.83 172.56 2jnj n ASN 30 N -4.74 -6.72 0.24 3.07 5.15 0.18 -4.91 115.26 107.53 2jnj n ASN 30 Ca -0.07 -0.55 0.11 0.00 -0.60 0.00 0.00 54.58 53.47 2jnj n ASN 30 Cb 0.27 -4.67 0.54 0.00 -0.53 0.00 0.00 39.78 35.40 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 0.38 1.08 0.00 5.20 0.00 -1.93 -3.16 119.26 120.83 2jnj h ALA 31 Ca -0.40 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2jnj h ALA 31 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2jnj h ALA 31 CO 0.39 0.24 -0.20 -0.07 0.00 0.00 0.00 179.25 179.61 2jnj h LEU 32 N 0.00 0.00 0.63 0.00 3.38 -1.90 -3.47 115.31 113.95 2jnj h LEU 32 Ca -0.00 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 2jnj h LEU 32 Cb 0.63 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 2jnj h LEU 32 CO 0.02 0.01 -0.19 0.61 0.09 0.00 0.00 178.44 178.98 2jnj n GLY 33 N 1.18 0.88 2.94 0.83 0.00 -1.19 -5.00 105.19 104.83 2jnj n GLY 33 Ca 0.04 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.14 0.17 -0.54 1.61 1.02 -1.26 -5.10 119.74 112.51 2jnj s LYS 34 Ca 0.00 -0.31 -0.25 0.00 0.02 0.00 0.00 55.97 55.43 2jnj s LYS 34 Cb 0.00 0.06 0.04 0.00 -0.52 0.00 0.00 37.83 37.41 2jnj s LYS 34 CO 0.00 -0.03 0.99 0.15 -0.92 0.00 0.00 175.35 175.54 2jnj s LYS 35 N -0.76 3.41 -0.22 1.68 -0.14 -1.26 -4.88 119.74 117.57 2jnj s LYS 35 Ca -0.08 -0.07 -0.19 0.00 -1.36 0.00 0.00 55.97 54.27 2jnj s LYS 35 Cb -0.05 -4.02 -0.16 0.00 -1.68 0.00 0.00 37.83 31.92 2jnj s LYS 35 CO -0.00 -1.46 0.07 1.97 -0.76 0.00 0.00 175.35 175.16 2jnj n PHE 36 N 7.58 0.80 -2.50 3.18 -1.74 -1.26 -4.69 117.46 118.83 2jnj n PHE 36 Ca 0.04 0.35 -0.42 0.00 -0.56 0.00 0.00 57.45 56.86 2jnj n PHE 36 Cb 0.48 -1.05 -0.03 0.00 1.52 0.00 0.00 39.48 40.40 2jnj n PHE 36 CO 0.00 0.00 0.00 -1.50 -0.56 0.00 0.00 176.76 174.70 2jnj s ILE 37 N -2.39 3.87 -0.10 1.97 -1.16 -1.26 -4.08 121.20 118.05 2jnj s ILE 37 Ca -0.30 0.71 0.06 0.00 -0.51 0.00 0.00 60.65 60.61 2jnj s ILE 37 Cb 0.07 -4.66 -0.24 0.00 0.61 0.00 0.00 42.46 38.24 2jnj s ILE 37 CO 0.54 -1.39 0.46 0.00 -2.81 0.00 0.00 174.94 171.75 2jnj n ILE 38 N 6.68 1.64 -3.71 2.00 3.06 -0.21 -4.91 119.36 123.92 2jnj n ILE 38 Ca 0.09 -0.74 -0.14 0.00 -2.50 0.00 0.00 62.75 59.46 2jnj n ILE 38 Cb 0.49 -1.25 -0.09 0.00 0.54 0.00 0.00 39.64 39.33 2jnj n ILE 38 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2jnj s GLN 39 N -2.57 0.59 -0.01 9.51 -2.07 -1.22 -5.01 119.66 118.88 2jnj s GLN 39 Ca -0.13 0.44 -0.24 0.00 -1.82 0.00 0.00 55.36 53.62 2jnj s GLN 39 Cb 0.07 0.28 -0.05 0.00 -1.09 0.00 0.00 33.01 32.23 2jnj s GLN 39 CO 0.79 -0.11 0.72 -0.51 -1.32 0.00 0.00 175.29 174.87 2jnj s ASP 40 N -0.17 7.08 -0.14 12.60 1.01 -1.26 -1.17 116.67 134.63 2jnj s ASP 40 Ca -0.03 1.30 -0.00 0.00 0.71 0.00 0.00 52.55 54.52 2jnj s ASP 40 Cb -0.03 -2.43 0.03 0.00 1.01 0.00 0.00 42.92 41.50 2jnj s ASP 40 CO 0.02 -0.04 -0.08 0.27 0.21 0.00 0.00 175.17 175.56 2jnj s ILE 41 N 0.33 1.13 -1.47 0.77 -4.36 0.53 -4.83 121.20 113.30 2jnj s ILE 41 Ca 0.37 -0.46 -0.03 0.00 -0.26 0.00 0.00 60.65 60.27 2jnj s ILE 41 Cb -0.19 -1.19 0.03 0.00 1.25 0.00 0.00 42.46 42.36 2jnj s ILE 41 CO 0.20 0.29 0.47 -0.90 0.24 0.00 0.00 174.94 175.25 2jnj n ASP 42 N 4.89 -0.86 0.00 4.36 5.75 -1.26 0.12 116.55 129.56 2jnj n ASP 42 Ca -0.13 -1.01 0.00 0.00 -0.01 0.00 0.00 54.79 53.64 2jnj n ASP 42 Cb 0.49 -2.96 0.00 0.00 -1.03 0.00 0.00 41.12 37.62 2jnj n ASP 42 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2jnj n ASP 43 N -2.92 0.00 -0.00 -1.12 5.68 -1.26 -4.01 116.55 112.91 2jnj n ASP 43 Ca -0.24 0.00 0.02 0.00 -0.50 0.00 0.00 54.79 54.07 2jnj n ASP 43 Cb 0.65 -0.44 -0.03 0.00 -1.14 0.00 0.00 41.12 40.16 2jnj n ASP 43 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 2jnj n THR 44 N -0.88 0.02 -3.70 2.12 -1.04 -1.21 -4.95 114.28 104.63 2jnj n THR 44 Ca 0.00 -0.09 -0.31 0.00 -2.04 0.00 0.00 64.05 61.61 2jnj n THR 44 Cb 0.00 0.32 -0.04 0.00 -1.82 0.00 0.00 70.33 68.78 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 -2.24 3.48 0.01 -1.42 3.76 0.12 -4.37 115.29 114.63 2jnj s HIS 45 Ca -0.01 0.49 0.03 0.00 -0.15 0.00 0.00 55.06 55.42 2jnj s HIS 45 Cb 0.02 -1.96 -0.01 0.00 1.11 0.00 0.00 32.58 31.74 2jnj s HIS 45 CO 0.15 0.44 -0.09 0.08 -0.85 0.00 0.00 174.74 174.47 2jnj s VAL 46 N -1.67 0.73 0.00 -0.90 1.01 0.23 -0.35 120.40 119.46 2jnj s VAL 46 Ca 0.40 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2jnj s VAL 46 Cb -0.12 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 2jnj s VAL 46 CO 0.26 0.07 -0.08 0.12 0.00 0.00 0.00 175.10 175.46 2jnj s PHE 47 N -0.50 2.85 0.15 5.22 5.36 -0.32 -0.91 117.98 129.83 2jnj s PHE 47 Ca 0.01 -0.06 -0.03 0.00 -0.96 0.00 0.00 56.93 55.89 2jnj s PHE 47 Cb -0.05 -1.60 -0.03 0.00 -0.34 0.00 0.00 43.02 41.00 2jnj s PHE 47 CO 0.00 0.35 0.13 0.54 -1.46 0.00 0.00 175.22 174.78 2jnj s VAL 48 N -0.97 0.08 -0.10 3.12 0.11 -0.45 -1.04 120.40 121.15 2jnj s VAL 48 Ca 0.16 -1.78 -0.07 0.00 -2.93 0.00 0.00 61.98 57.36 2jnj s VAL 48 Cb -0.11 -2.03 -0.04 0.00 -1.53 0.00 0.00 36.38 32.67 2jnj s VAL 48 CO 0.07 -0.38 0.16 -0.51 -3.33 0.00 0.00 175.10 171.11 2jnj s ILE 49 N -4.04 5.47 0.37 7.04 2.07 -1.26 -0.01 121.20 130.85 2jnj s ILE 49 Ca 0.23 0.23 0.24 0.00 -1.41 0.00 0.00 60.65 59.95 2jnj s ILE 49 Cb 0.06 -3.43 0.25 0.00 0.13 0.00 0.00 42.46 39.47 2jnj s ILE 49 CO 0.02 0.60 1.99 0.00 -1.91 0.00 0.00 174.94 175.64 2jnj h ALA 50 N 4.88 1.29 -0.29 1.50 0.00 -1.83 -2.85 119.26 121.96 2jnj h ALA 50 Ca -0.54 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.29 2jnj h ALA 50 Cb 1.23 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2jnj h ALA 50 CO 0.59 0.22 0.23 1.49 0.00 0.00 0.00 179.25 181.78 2jnj h GLU 51 N 0.00 0.00 -0.08 0.00 4.81 -1.95 -1.78 114.58 115.58 2jnj h GLU 51 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2jnj h GLU 51 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2jnj h GLU 51 CO 0.02 0.00 0.00 1.47 -0.73 0.00 0.00 179.01 179.77 2jnj n LEU 52 N -4.25 2.25 0.22 1.64 -0.00 -1.08 -4.78 117.00 110.99 2jnj n LEU 52 Ca 0.04 -2.07 0.06 0.00 -0.00 0.00 0.00 56.01 54.04 2jnj n LEU 52 Cb 0.39 -0.08 0.49 0.00 -0.00 0.00 0.00 43.42 44.23 2jnj n LEU 52 CO 0.33 0.56 0.86 1.62 -0.00 0.00 0.00 177.39 180.77 2jnj h VAL 53 N 0.47 1.09 -0.54 1.47 3.04 -1.28 -2.60 116.25 117.90 2jnj h VAL 53 Ca 0.00 -0.80 0.08 0.00 -1.01 0.00 0.00 66.70 64.98 2jnj h VAL 53 Cb 0.59 1.44 -0.03 0.00 -2.01 0.00 0.00 31.29 31.28 2jnj h VAL 53 CO 0.00 0.22 0.36 0.78 -1.01 0.00 0.00 177.57 177.93 2jnj h ASN 54 N 0.00 0.34 0.16 3.17 2.35 -1.86 0.28 115.58 120.01 2jnj h ASN 54 Ca -0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.60 2jnj h ASN 54 Cb 0.42 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 2jnj h ASN 54 CO 0.03 0.21 -0.58 -0.37 -1.65 0.00 0.00 177.43 175.07 2jnj h VAL 55 N 0.38 1.35 -0.29 2.81 -1.51 -1.86 -2.46 116.25 114.67 2jnj h VAL 55 Ca 0.24 -1.87 -0.10 0.00 -1.23 0.00 0.00 66.70 63.74 2jnj h VAL 55 Cb 0.46 1.87 -0.01 0.00 -2.13 0.00 0.00 31.29 31.48 2jnj h VAL 55 CO -0.06 0.57 -0.26 -0.07 -1.23 0.00 0.00 177.57 176.52 2jnj h LEU 56 N 0.32 0.57 -0.39 4.19 -0.00 -1.04 0.43 115.31 119.39 2jnj h LEU 56 Ca 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 2jnj h LEU 56 Cb 1.10 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.59 2jnj h LEU 56 CO 0.10 0.82 0.26 1.56 -0.00 0.00 0.00 178.44 181.18 2jnj h GLN 57 N 0.49 0.52 -0.08 1.13 1.08 -0.09 0.25 115.11 118.41 2jnj h GLN 57 Ca 0.07 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.11 2jnj h GLN 57 Cb 0.71 -0.12 0.01 0.00 -0.05 0.00 0.00 27.48 28.03 2jnj h GLN 57 CO 0.05 0.34 -0.43 1.05 -0.95 0.00 0.00 178.83 178.89 2jnj h GLU 58 N 0.53 0.44 -0.52 1.46 4.11 -1.36 -1.81 114.58 117.43 2jnj h GLU 58 Ca 0.15 -0.36 -0.01 0.00 0.07 0.00 0.00 59.36 59.20 2jnj h GLU 58 Cb -0.06 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2jnj h GLU 58 CO -0.03 1.00 0.28 -0.09 0.07 0.00 0.00 179.01 180.24 2jnj h ARG 59 N -0.01 0.72 -0.01 1.06 9.65 -0.68 0.17 114.38 125.28 2jnj h ARG 59 Ca -0.03 -0.09 -0.16 0.00 -1.10 0.00 0.00 59.98 58.60 2jnj h ARG 59 Cb 1.09 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.51 2jnj h ARG 59 CO 0.09 0.57 -0.73 0.28 2.80 0.00 0.00 179.97 182.98 2jnj h VAL 60 N 0.69 1.49 0.17 0.20 2.07 -0.60 -2.56 116.25 117.71 2jnj h VAL 60 Ca 0.18 -2.42 -0.01 0.00 0.82 0.00 0.00 66.70 65.27 2jnj h VAL 60 Cb 0.06 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2jnj h VAL 60 CO -0.03 0.70 -0.08 1.23 0.02 0.00 0.00 177.57 179.41 2jnj h GLY 61 N 2.00 -0.23 1.36 2.17 0.00 -0.80 -3.37 103.07 104.19 2jnj h GLY 61 Ca -0.01 0.09 -0.20 0.00 0.00 0.00 0.00 47.33 47.20 2jnj h GLY 61 CO 0.10 -0.09 -0.74 0.83 0.00 0.00 0.00 176.54 176.65 2jnj h GLU 62 N -0.81 0.64 0.00 4.80 4.39 -0.75 -3.27 114.58 119.58 2jnj h GLU 62 Ca -0.02 -0.51 0.00 0.00 0.34 0.00 0.00 59.36 59.17 2jnj h GLU 62 Cb 0.53 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2jnj h GLU 62 CO 0.04 1.13 0.00 1.47 -1.16 0.00 0.00 179.01 180.49 2jnj n LEU 63 N -3.90 0.09 -0.06 1.33 -0.00 -0.97 -0.39 117.00 113.10 2jnj n LEU 63 Ca -0.06 0.53 -0.10 0.00 -0.00 0.00 0.00 56.01 56.38 2jnj n LEU 63 Cb 0.72 -0.53 -0.03 0.00 -0.00 0.00 0.00 43.42 43.58 2jnj n LEU 63 CO 0.51 -0.43 0.93 0.24 -0.00 0.00 0.00 177.39 178.64 2jnj h MET 64 N 0.00 0.33 0.01 1.47 2.86 -1.73 -3.33 114.93 114.55 2jnj h MET 64 Ca 0.00 -0.03 -0.30 0.00 -2.06 0.00 0.00 59.70 57.31 2jnj h MET 64 Cb 0.13 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 2jnj h MET 64 CO 0.00 0.28 -1.64 -0.25 1.06 0.00 0.00 176.91 176.36 2jnj n ASP 65 N -4.87 1.91 0.00 1.22 8.00 -0.40 -5.02 116.55 117.39 2jnj n ASP 65 Ca -0.03 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.84 2jnj n ASP 65 Cb 0.06 -0.91 0.00 0.00 -0.02 0.00 0.00 41.12 40.25 2jnj n ASP 65 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2jnj n GLN 66 N -4.26 0.00 -0.14 -1.24 -0.06 0.48 -5.04 117.38 107.12 2jnj n GLN 66 Ca -0.37 0.00 0.03 0.00 -2.00 0.00 0.00 57.00 54.66 2jnj n GLN 66 Cb 0.77 0.00 0.09 0.00 -4.06 0.00 0.00 30.24 27.05 2jnj n GLN 66 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 2jnj n ASN 67 N 0.00 1.38 -4.57 1.69 6.94 -1.24 -4.13 115.26 115.33 2jnj n ASN 67 Ca 0.00 -2.06 -0.39 0.00 -0.02 0.00 0.00 54.58 52.10 2jnj n ASN 67 Cb 0.00 -0.24 -0.03 0.00 -2.36 0.00 0.00 39.78 37.15 2jnj n ASN 67 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jnj s ALA 68 N -1.67 2.14 -1.14 -2.53 0.00 -1.26 -4.87 121.76 112.43 2jnj s ALA 68 Ca 0.14 0.17 -0.17 0.00 0.00 0.00 0.00 51.96 52.10 2jnj s ALA 68 Cb 0.08 -4.23 0.13 0.00 0.00 0.00 0.00 23.12 19.10 2jnj s ALA 68 CO 0.08 -3.73 1.43 -0.59 0.00 0.00 0.00 175.76 172.95 2jnj s PHE 69 N 10.14 3.15 -0.14 0.00 -0.12 -1.26 -4.55 117.98 125.20 2jnj s PHE 69 Ca 0.92 -1.71 0.19 0.00 -0.05 0.00 0.00 56.93 56.28 2jnj s PHE 69 Cb -0.22 -4.44 0.44 0.00 -0.63 0.00 0.00 43.02 38.17 2jnj s PHE 69 CO 0.29 -1.56 1.18 0.43 -0.05 0.00 0.00 175.22 175.50 2jnj n SER 70 N 6.80 1.79 -0.06 1.98 7.64 -1.26 -4.86 113.62 125.65 2jnj n SER 70 Ca 0.36 -2.81 0.00 0.00 1.01 0.00 0.00 58.87 57.43 2jnj n SER 70 Cb 0.46 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 2jnj n SER 70 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jnj n LEU 71 N -0.33 0.08 0.14 -3.43 -0.00 -1.26 -1.89 117.00 110.31 2jnj n LEU 71 Ca 0.15 -0.04 0.13 0.00 -0.00 0.00 0.00 56.01 56.25 2jnj n LEU 71 Cb 0.93 -0.04 0.40 0.00 -0.00 0.00 0.00 43.42 44.71 2jnj n LEU 71 CO 0.03 0.02 0.88 0.00 -0.00 0.00 0.00 177.39 178.32 2jnj h THR 72 N 0.00 0.00 -0.00 1.47 1.03 -1.99 -3.12 112.91 110.30 2jnj h THR 72 Ca 0.00 -0.53 0.00 0.00 -0.01 0.00 0.00 66.41 65.87 2jnj h THR 72 Cb 0.04 1.48 0.00 0.00 -1.07 0.00 0.00 68.15 68.60 2jnj h THR 72 CO 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 175.52 175.46 2jnj n GLN 73 N -2.47 1.28 0.00 0.00 10.64 -0.79 -5.32 117.38 120.71 2jnj n GLN 73 Ca 0.04 -0.56 0.00 0.00 -1.83 0.00 0.00 57.00 54.66 2jnj n GLN 73 Cb 0.40 -0.98 0.00 0.00 -0.86 0.00 0.00 30.24 28.81 2jnj n GLN 73 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59