#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j9j s GLN 2 N 0.00 2.45 -0.18 -0.52 0.74 -1.26 -5.11 119.66 115.78 2j9j s GLN 2 Ca 0.00 -0.68 0.01 0.00 0.05 0.00 0.00 55.36 54.74 2j9j s GLN 2 Cb 0.00 -1.91 0.02 0.00 1.10 0.00 0.00 33.01 32.22 2j9j s GLN 2 CO 0.00 0.12 -0.18 0.42 -0.55 0.00 0.00 175.29 175.10 2j9j s ILE 3 N 0.45 2.20 0.84 -2.34 1.01 -1.26 -5.13 121.20 116.98 2j9j s ILE 3 Ca -0.16 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.48 2j9j s ILE 3 Cb -0.17 -1.93 0.12 0.00 0.01 0.00 0.00 42.46 40.49 2j9j s ILE 3 CO 0.07 0.53 1.19 0.42 0.00 0.00 0.00 174.94 177.14 2j9j s THR 4 N 1.27 2.06 -0.11 2.92 -4.23 -1.26 -5.03 115.64 111.27 2j9j s THR 4 Ca 0.04 -0.10 0.16 0.00 -1.18 0.00 0.00 61.69 60.62 2j9j s THR 4 Cb -0.13 -2.97 0.24 0.00 1.34 0.00 0.00 72.50 70.98 2j9j s THR 4 CO -0.11 0.00 1.12 0.18 -0.54 0.00 0.00 174.62 175.27 2j9j n LEU 5 N -3.37 2.16 -0.15 4.79 4.77 -1.26 -4.64 117.00 119.30 2j9j n LEU 5 Ca 0.11 -2.84 0.04 0.00 -0.03 0.00 0.00 56.01 53.29 2j9j n LEU 5 Cb 0.60 -0.36 0.34 0.00 -2.33 0.00 0.00 43.42 41.67 2j9j n LEU 5 CO 0.51 0.66 1.21 -0.50 -1.33 0.00 0.00 177.39 177.94 2j9j h TRP 6 N 0.00 0.75 -2.32 -1.77 4.06 -2.06 -3.43 115.95 111.17 2j9j h TRP 6 Ca 0.00 0.02 -0.54 0.00 2.06 0.00 0.00 58.89 60.43 2j9j h TRP 6 Cb 0.98 -0.25 -0.13 0.00 -1.00 0.00 0.00 29.16 28.76 2j9j h TRP 6 CO 0.01 0.43 -0.60 -1.59 -3.56 0.00 0.00 178.44 173.13 2j9j s LYS 7 N -5.67 1.80 0.26 0.49 -2.85 -1.26 -5.11 119.74 107.39 2j9j s LYS 7 Ca -0.10 -2.02 -0.31 0.00 -1.00 0.00 0.00 55.97 52.55 2j9j s LYS 7 Cb 0.18 -1.14 -0.13 0.00 -2.06 0.00 0.00 37.83 34.68 2j9j s LYS 7 CO 0.76 -0.17 1.43 0.54 0.10 0.00 0.00 175.35 178.01 2j9j n ARG 8 N -0.82 2.15 -1.95 1.78 1.74 -1.26 -4.83 116.66 113.47 2j9j n ARG 8 Ca -0.04 0.77 -0.42 0.00 -0.77 0.00 0.00 57.85 57.38 2j9j n ARG 8 Cb 0.67 -2.44 0.00 0.00 -1.02 0.00 0.00 32.46 29.67 2j9j n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2j9j n PRO 9 N 1.90 3.00 -3.06 5.56 -0.04 -1.26 -4.93 135.00 136.18 2j9j n PRO 9 Ca 0.10 -2.84 -0.40 0.00 -0.04 0.00 0.00 63.50 60.33 2j9j n PRO 9 Cb 0.33 -3.27 -0.05 0.00 -0.04 0.00 0.00 33.50 30.47 2j9j n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2j9j s LEU 10 N 2.20 4.33 0.17 1.53 1.43 -1.26 -1.41 118.68 125.67 2j9j s LEU 10 Ca 0.47 1.19 0.01 0.00 -1.03 0.00 0.00 54.13 54.78 2j9j s LEU 10 Cb 0.12 -3.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 2j9j s LEU 10 CO -0.05 -0.09 0.01 0.68 0.23 0.00 0.00 176.35 177.13 2j9j s VAL 11 N 0.68 0.58 -0.02 -1.59 -7.23 0.19 -4.91 120.40 108.10 2j9j s VAL 11 Ca 0.37 -1.97 -0.29 0.00 -1.81 0.00 0.00 61.98 58.28 2j9j s VAL 11 Cb -0.18 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 2j9j s VAL 11 CO 0.18 -0.46 0.93 -0.89 -0.31 0.00 0.00 175.10 174.56 2j9j s THR 12 N -3.72 4.89 0.36 5.32 2.01 -1.26 -1.06 115.64 122.18 2j9j s THR 12 Ca 0.24 1.95 0.09 0.00 0.31 0.00 0.00 61.69 64.28 2j9j s THR 12 Cb 0.06 -4.27 -0.07 0.00 0.01 0.00 0.00 72.50 68.24 2j9j s THR 12 CO 0.04 0.16 -0.04 0.27 -0.69 0.00 0.00 174.62 174.35 2j9j s ILE 13 N 1.09 2.24 -0.11 1.82 -4.36 0.33 -4.56 121.20 117.66 2j9j s ILE 13 Ca 0.49 -2.10 0.01 0.00 -0.26 0.00 0.00 60.65 58.78 2j9j s ILE 13 Cb -0.20 -2.77 0.02 0.00 1.25 0.00 0.00 42.46 40.76 2j9j s ILE 13 CO 0.25 -0.14 -0.10 -0.60 0.24 0.00 0.00 174.94 174.58 2j9j s ARG 14 N -3.66 1.75 -0.03 0.37 3.52 0.05 -0.90 118.95 120.04 2j9j s ARG 14 Ca 0.34 -0.37 0.00 0.00 -0.13 0.00 0.00 55.73 55.57 2j9j s ARG 14 Cb 0.04 -1.65 0.03 0.00 -1.56 0.00 0.00 34.95 31.81 2j9j s ARG 14 CO 0.17 -0.17 0.01 -1.50 -0.81 0.00 0.00 175.30 173.01 2j9j s ILE 15 N 1.35 0.09 -1.44 4.11 2.07 -0.59 -1.46 121.20 125.33 2j9j s ILE 15 Ca -0.01 0.15 -0.08 0.00 -1.41 0.00 0.00 60.65 59.30 2j9j s ILE 15 Cb -0.14 -0.22 0.04 0.00 0.13 0.00 0.00 42.46 42.28 2j9j s ILE 15 CO -0.05 0.13 0.64 0.61 -1.91 0.00 0.00 174.94 174.36 2j9j n GLY 16 N 4.26 -0.51 2.66 1.50 0.00 -1.26 -2.38 105.19 109.46 2j9j n GLY 16 Ca -0.25 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2j9j n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j9j n GLY 17 N -1.44 2.61 3.64 -0.02 0.00 -1.26 -5.00 105.19 103.72 2j9j n GLY 17 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2j9j n GLY 17 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2j9j s ASN 18 N -3.75 4.96 -0.01 1.61 0.02 -1.00 -5.06 114.94 111.71 2j9j s ASN 18 Ca 0.00 0.02 -0.25 0.00 -1.02 0.00 0.00 52.86 51.62 2j9j s ASN 18 Cb 0.00 -1.30 -0.05 0.00 0.02 0.00 0.00 41.25 39.93 2j9j s ASN 18 CO 0.00 0.34 0.75 -0.76 0.02 0.00 0.00 177.10 177.45 2j9j s LEU 19 N -1.09 4.39 0.16 0.60 1.02 -1.26 -1.55 118.68 120.95 2j9j s LEU 19 Ca 0.15 1.35 0.00 0.00 0.02 0.00 0.00 54.13 55.65 2j9j s LEU 19 Cb -0.11 -3.18 -0.04 0.00 0.02 0.00 0.00 46.19 42.87 2j9j s LEU 19 CO 0.05 -0.05 0.03 -0.54 0.02 0.00 0.00 176.35 175.86 2j9j s LYS 20 N 0.36 1.05 -0.14 1.70 1.02 -0.08 -4.97 119.74 118.68 2j9j s LYS 20 Ca 0.39 -1.51 -0.06 0.00 0.02 0.00 0.00 55.97 54.81 2j9j s LYS 20 Cb -0.19 -0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 37.04 2j9j s LYS 20 CO 0.21 -0.20 0.08 -1.21 -0.92 0.00 0.00 175.35 173.31 2j9j s GLU 21 N -3.99 3.60 0.02 1.68 0.41 -1.26 -0.51 118.70 118.66 2j9j s GLU 21 Ca 0.25 -0.27 -0.09 0.00 -0.41 0.00 0.00 54.97 54.45 2j9j s GLU 21 Cb 0.07 -3.14 0.01 0.00 -1.78 0.00 0.00 34.13 29.29 2j9j s GLU 21 CO 0.04 0.54 0.19 0.00 -0.49 0.00 0.00 175.26 175.54 2j9j s ALA 22 N -0.38 -0.41 -0.10 5.21 0.00 -0.23 -4.38 121.76 121.48 2j9j s ALA 22 Ca 0.10 -0.15 -0.21 0.00 0.00 0.00 0.00 51.96 51.70 2j9j s ALA 22 Cb -0.12 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2j9j s ALA 22 CO 0.02 -0.30 0.60 -1.17 0.00 0.00 0.00 175.76 174.91 2j9j s LEU 23 N -1.75 4.28 -0.44 0.00 2.96 0.49 -0.64 118.68 123.58 2j9j s LEU 23 Ca -0.09 0.99 -0.29 0.00 -0.22 0.00 0.00 54.13 54.52 2j9j s LEU 23 Cb -0.04 -2.90 0.02 0.00 0.50 0.00 0.00 46.19 43.78 2j9j s LEU 23 CO -0.01 -0.09 1.18 -0.76 -1.32 0.00 0.00 176.35 175.36 2j9j s LEU 24 N 0.86 3.68 -0.32 -0.68 1.43 -0.50 -0.46 118.68 122.69 2j9j s LEU 24 Ca 0.32 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 54.07 2j9j s LEU 24 Cb -0.16 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.61 2j9j s LEU 24 CO 0.14 -1.23 0.05 -0.62 0.23 0.00 0.00 176.35 174.92 2j9j s ASP 25 N 2.61 4.45 0.30 2.29 2.15 -0.18 -4.80 116.67 123.50 2j9j s ASP 25 Ca 0.50 -1.90 0.25 0.00 0.43 0.00 0.00 52.55 51.83 2j9j s ASP 25 Cb -0.09 -1.34 1.03 0.00 -0.30 0.00 0.00 42.92 42.21 2j9j s ASP 25 CO 0.29 -0.38 1.75 0.71 -0.17 0.00 0.00 175.17 177.38 2j9j h THR 26 N 6.58 0.00 -0.29 1.71 1.35 -1.93 -2.36 112.91 117.96 2j9j h THR 26 Ca -0.08 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2j9j h THR 26 Cb 1.02 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2j9j h THR 26 CO 0.49 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 2j9j n GLY 27 N 0.09 0.52 3.38 5.82 0.00 -1.26 -4.84 105.19 108.90 2j9j n GLY 27 Ca 0.02 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 2j9j n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j9j s ALA 28 N -1.61 2.84 0.26 4.61 0.00 -0.89 -4.98 121.76 121.99 2j9j s ALA 28 Ca 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.22 2j9j s ALA 28 Cb 0.14 -1.57 0.36 0.00 0.00 0.00 0.00 23.12 22.04 2j9j s ALA 28 CO 0.19 -0.10 1.71 -0.44 0.00 0.00 0.00 175.76 177.12 2j9j h ASP 29 N 7.40 0.58 -2.81 0.00 3.32 -1.88 0.07 116.42 123.10 2j9j h ASP 29 Ca -0.35 -0.19 -0.51 0.00 0.02 0.00 0.00 57.03 56.00 2j9j h ASP 29 Cb 1.18 -0.16 -0.14 0.00 0.22 0.00 0.00 39.33 40.44 2j9j h ASP 29 CO 0.60 0.79 -0.66 -1.81 -1.72 0.00 0.00 179.24 176.44 2j9j s ASP 30 N -6.78 2.87 -0.22 6.45 1.01 -1.26 -3.26 116.67 115.48 2j9j s ASP 30 Ca -0.08 -1.23 -0.09 0.00 0.71 0.00 0.00 52.55 51.87 2j9j s ASP 30 Cb 0.14 -0.19 -0.04 0.00 1.01 0.00 0.00 42.92 43.84 2j9j s ASP 30 CO 0.80 -0.37 0.10 -0.89 0.21 0.00 0.00 175.17 175.02 2j9j s THR 31 N -3.00 4.93 -0.14 -1.27 2.01 -1.26 -3.16 115.64 113.75 2j9j s THR 31 Ca 0.31 0.02 -0.00 0.00 0.31 0.00 0.00 61.69 62.33 2j9j s THR 31 Cb 0.05 -3.27 0.03 0.00 0.01 0.00 0.00 72.50 69.32 2j9j s THR 31 CO 0.13 0.39 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.68 2j9j s VAL 32 N 0.89 1.17 0.00 3.82 1.01 -0.35 -0.72 120.40 126.22 2j9j s VAL 32 Ca 0.05 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.60 2j9j s VAL 32 Cb -0.13 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 2j9j s VAL 32 CO 0.03 0.30 -0.13 -0.63 0.00 0.00 0.00 175.10 174.67 2j9j s ILE 33 N 1.64 1.00 -0.92 2.22 1.01 0.53 -0.44 121.20 126.23 2j9j s ILE 33 Ca 0.03 -0.64 -0.19 0.00 0.00 0.00 0.00 60.65 59.86 2j9j s ILE 33 Cb -0.14 -0.85 0.13 0.00 0.01 0.00 0.00 42.46 41.61 2j9j s ILE 33 CO -0.08 0.21 1.13 -0.70 0.00 0.00 0.00 174.94 175.50 2j9j s GLU 34 N -0.49 3.58 0.13 2.79 2.12 -1.26 -2.73 118.70 122.85 2j9j s GLU 34 Ca 0.04 -1.70 0.05 0.00 0.36 0.00 0.00 54.97 53.72 2j9j s GLU 34 Cb -0.05 -4.91 -0.04 0.00 0.26 0.00 0.00 34.13 29.38 2j9j s GLU 34 CO -0.00 -1.79 -0.12 -2.00 -0.54 0.00 0.00 175.26 170.81 2j9j s GLU 35 N 2.83 1.03 0.00 4.30 2.12 -1.26 -4.99 118.70 122.73 2j9j s GLU 35 Ca 0.33 -1.34 0.00 0.00 0.36 0.00 0.00 54.97 54.31 2j9j s GLU 35 Cb -0.05 -0.73 0.00 0.00 0.26 0.00 0.00 34.13 33.61 2j9j s GLU 35 CO -0.09 0.11 0.00 0.27 -0.54 0.00 0.00 175.26 175.02 2j9j n ASN 37 N 0.15 0.00 -4.77 -1.70 6.94 -1.26 -4.97 115.26 109.65 2j9j n ASN 37 Ca -0.13 0.00 -0.39 0.00 -0.02 0.00 0.00 54.58 54.05 2j9j n ASN 37 Cb 0.59 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.98 2j9j n ASN 37 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2j9j s LEU 38 N 0.00 4.28 0.85 -4.53 1.43 -1.26 -5.04 118.68 114.41 2j9j s LEU 38 Ca 0.00 2.30 -0.12 0.00 -1.03 0.00 0.00 54.13 55.29 2j9j s LEU 38 Cb 0.00 -3.94 0.10 0.00 0.03 0.00 0.00 46.19 42.38 2j9j s LEU 38 CO 0.00 -0.52 1.10 -2.16 0.23 0.00 0.00 176.35 175.00 2j9j s PRO 39 N -2.12 1.61 0.00 1.29 0.04 -1.26 -5.10 135.00 129.46 2j9j s PRO 39 Ca 0.54 0.60 0.00 0.00 0.04 0.00 0.00 61.00 62.17 2j9j s PRO 39 Cb -0.30 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2j9j s PRO 39 CO 0.38 -1.94 0.00 0.41 0.04 0.00 0.00 177.00 175.89 2j9j n GLY 40 N -1.86 0.44 0.00 0.56 0.00 -1.26 -5.15 105.19 97.92 2j9j n GLY 40 Ca 0.07 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.63 2j9j n GLY 40 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2j9j n TRP 42 N 0.00 0.00 -4.13 1.61 4.27 -1.26 -5.12 117.44 112.80 2j9j n TRP 42 Ca 0.00 0.00 -0.16 0.00 -3.89 0.00 0.00 57.50 53.45 2j9j n TRP 42 Cb 0.00 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 29.83 2j9j n TRP 42 CO 0.00 0.00 0.00 -1.59 -2.29 0.00 0.00 177.69 173.81 2j9j s LYS 43 N -2.00 0.72 0.42 -2.67 -2.85 -0.67 -4.89 119.74 107.80 2j9j s LYS 43 Ca 0.00 -0.91 -0.25 0.00 -1.00 0.00 0.00 55.97 53.82 2j9j s LYS 43 Cb 0.00 -0.61 -0.08 0.00 -2.06 0.00 0.00 37.83 35.08 2j9j s LYS 43 CO 0.00 0.13 1.19 -1.25 0.10 0.00 0.00 175.35 175.51 2j9j s PRO 44 N -1.79 3.94 0.00 1.78 0.04 -1.26 -0.54 135.00 137.16 2j9j s PRO 44 Ca -0.04 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.86 2j9j s PRO 44 Cb -0.09 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.85 2j9j s PRO 44 CO 0.01 -0.42 0.00 1.17 0.04 0.00 0.00 177.00 177.80 2j9j n LYS 45 N -0.10 0.00 0.00 4.56 4.81 -0.63 -4.86 118.16 121.94 2j9j n LYS 45 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 2j9j n LYS 45 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 2j9j n LYS 45 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 2j9j n ILE 47 N 0.00 0.00 -4.43 3.15 -5.35 -0.68 -1.14 119.36 110.90 2j9j n ILE 47 Ca 0.00 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.26 2j9j n ILE 47 Cb 0.00 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 2j9j n ILE 47 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2j9j s GLY 48 N 0.00 1.82 0.00 3.28 0.00 -1.26 -0.99 107.32 110.17 2j9j s GLY 48 Ca 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 42.83 2j9j s GLY 48 CO 0.00 -1.86 0.00 0.61 0.00 0.00 0.00 173.10 171.85 2j9j n GLY 49 N -0.58 1.50 0.20 0.20 0.00 -0.24 -4.98 105.19 101.30 2j9j n GLY 49 Ca -0.06 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.02 2j9j n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2j9j h ILE 50 N 0.00 0.00 0.00 -0.61 6.09 -2.02 -1.88 117.51 119.08 2j9j h ILE 50 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2j9j h ILE 50 Cb 0.00 0.55 0.00 0.00 0.47 0.00 0.00 36.82 37.84 2j9j h ILE 50 CO 0.00 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.69 2j9j n GLY 51 N -1.25 1.20 0.00 8.18 0.00 -1.26 -5.06 105.19 106.99 2j9j n GLY 51 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2j9j n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j9j n GLY 52 N -2.00 -0.40 3.81 -0.02 0.00 -0.71 -5.01 105.19 100.86 2j9j n GLY 52 Ca 0.00 -1.95 -0.28 0.00 0.00 0.00 0.00 46.02 43.79 2j9j n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j9j s PHE 53 N 0.00 3.21 0.12 1.61 0.40 -1.26 -1.07 117.98 120.99 2j9j s PHE 53 Ca 0.00 0.04 0.05 0.00 -0.60 0.00 0.00 56.93 56.42 2j9j s PHE 53 Cb 0.00 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 2j9j s PHE 53 CO 0.00 0.52 -0.12 0.96 0.70 0.00 0.00 175.22 177.28 2j9j s ILE 54 N -1.63 1.19 0.13 0.64 -4.36 -0.16 -4.98 121.20 112.03 2j9j s ILE 54 Ca 0.31 -1.73 -0.29 0.00 -0.26 0.00 0.00 60.65 58.68 2j9j s ILE 54 Cb -0.11 -1.51 -0.07 0.00 1.25 0.00 0.00 42.46 42.03 2j9j s ILE 54 CO 0.24 -0.50 0.90 -0.54 0.24 0.00 0.00 174.94 175.28 2j9j s LYS 55 N -2.82 4.68 0.13 0.37 1.02 -1.26 -1.69 119.74 120.17 2j9j s LYS 55 Ca 0.09 1.36 0.01 0.00 0.02 0.00 0.00 55.97 57.44 2j9j s LYS 55 Cb -0.03 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.89 2j9j s LYS 55 CO 0.02 0.34 0.00 0.14 -0.92 0.00 0.00 175.35 174.93 2j9j s VAL 56 N -0.41 0.45 -0.22 3.17 -7.23 -0.29 -4.65 120.40 111.22 2j9j s VAL 56 Ca 0.43 -1.93 -0.11 0.00 -1.81 0.00 0.00 61.98 58.55 2j9j s VAL 56 Cb -0.23 -1.95 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 2j9j s VAL 56 CO 0.29 -0.60 0.19 -0.13 -0.31 0.00 0.00 175.10 174.53 2j9j s ARG 57 N -3.94 4.13 -0.31 4.82 0.52 0.12 -1.60 118.95 122.69 2j9j s ARG 57 Ca 0.20 -0.18 -0.15 0.00 -0.52 0.00 0.00 55.73 55.08 2j9j s ARG 57 Cb 0.07 -3.50 -0.02 0.00 0.52 0.00 0.00 34.95 32.01 2j9j s ARG 57 CO 0.00 0.13 0.37 -1.14 0.02 0.00 0.00 175.30 174.69 2j9j s GLN 58 N 0.84 3.79 -0.14 3.54 0.74 0.30 -0.67 119.66 128.06 2j9j s GLN 58 Ca 0.10 -0.18 -0.02 0.00 0.05 0.00 0.00 55.36 55.30 2j9j s GLN 58 Cb -0.13 -3.73 -0.02 0.00 1.10 0.00 0.00 33.01 30.23 2j9j s GLN 58 CO 0.03 -0.41 -0.08 0.71 -0.55 0.00 0.00 175.29 174.99 2j9j s TYR 59 N 2.07 2.93 0.17 1.67 1.51 -0.21 -1.67 117.35 123.82 2j9j s TYR 59 Ca 0.14 -0.45 0.04 0.00 -1.01 0.00 0.00 57.07 55.79 2j9j s TYR 59 Cb -0.16 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 39.75 2j9j s TYR 59 CO 0.11 -0.11 0.20 -0.51 -1.11 0.00 0.00 175.55 174.13 2j9j s ASP 60 N 0.33 5.81 -1.37 2.29 1.01 -1.26 -0.97 116.67 122.51 2j9j s ASP 60 Ca -0.07 -0.03 -0.05 0.00 0.71 0.00 0.00 52.55 53.11 2j9j s ASP 60 Cb -0.15 -1.61 0.03 0.00 1.01 0.00 0.00 42.92 42.20 2j9j s ASP 60 CO 0.04 0.05 0.84 0.00 0.21 0.00 0.00 175.17 176.31 2j9j n GLN 61 N -0.51 -5.44 -3.47 8.23 1.13 -1.11 -4.91 117.38 111.29 2j9j n GLN 61 Ca -0.08 0.64 -0.37 0.00 -1.94 0.00 0.00 57.00 55.25 2j9j n GLN 61 Cb 0.55 -5.37 -0.08 0.00 0.11 0.00 0.00 30.24 25.45 2j9j n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2j9j s ILE 62 N -3.51 5.25 0.23 5.09 -1.09 -0.08 -4.73 121.20 122.36 2j9j s ILE 62 Ca 0.24 0.57 -0.30 0.00 -2.23 0.00 0.00 60.65 58.94 2j9j s ILE 62 Cb -0.12 -3.66 -0.10 0.00 -1.58 0.00 0.00 42.46 37.00 2j9j s ILE 62 CO 0.81 0.30 1.41 -2.84 -1.23 0.00 0.00 174.94 173.39 2j9j s PRO 63 N 1.07 4.30 -0.12 2.79 0.02 -1.26 -1.75 135.00 140.04 2j9j s PRO 63 Ca 0.16 2.23 -0.03 0.00 0.02 0.00 0.00 61.00 63.39 2j9j s PRO 63 Cb -0.14 -3.14 0.05 0.00 0.02 0.00 0.00 34.50 31.29 2j9j s PRO 63 CO 0.06 -0.38 0.05 0.08 -0.33 0.00 0.00 177.00 176.48 2j9j s VAL 64 N 0.08 0.14 -0.19 3.83 1.01 -0.18 -4.35 120.40 120.74 2j9j s VAL 64 Ca 0.59 -0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.42 2j9j s VAL 64 Cb -0.40 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 2j9j s VAL 64 CO 0.41 -0.04 0.13 -0.70 0.00 0.00 0.00 175.10 174.90 2j9j s GLU 65 N 2.05 4.13 -0.19 2.72 2.12 -0.53 -0.97 118.70 128.02 2j9j s GLU 65 Ca 0.03 -0.22 0.12 0.00 0.36 0.00 0.00 54.97 55.26 2j9j s GLU 65 Cb -0.14 -3.40 0.41 0.00 0.26 0.00 0.00 34.13 31.26 2j9j s GLU 65 CO -0.07 0.33 1.21 -0.89 -0.54 0.00 0.00 175.26 175.31 2j9j n ILE 66 N 3.42 2.06 0.00 -3.70 5.41 -1.26 -0.77 119.36 124.51 2j9j n ILE 66 Ca -0.16 -3.05 0.00 0.00 1.00 0.00 0.00 62.75 60.54 2j9j n ILE 66 Cb 0.52 -0.17 0.00 0.00 -0.71 0.00 0.00 39.64 39.28 2j9j n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2j9j n GLY 68 N -1.05 0.00 3.62 7.39 0.00 -1.26 -4.74 105.19 109.14 2j9j n GLY 68 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2j9j n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2j9j s HIS 69 N 0.00 3.26 0.20 1.61 4.02 -1.26 -5.06 115.29 118.06 2j9j s HIS 69 Ca 0.00 0.14 -0.26 0.00 1.02 0.00 0.00 55.06 55.96 2j9j s HIS 69 Cb 0.00 -2.32 -0.08 0.00 -1.02 0.00 0.00 32.58 29.16 2j9j s HIS 69 CO 0.00 -0.06 0.83 0.15 1.02 0.00 0.00 174.74 176.68 2j9j s LYS 70 N 1.42 4.63 0.17 1.40 1.02 -1.26 -4.36 119.74 122.76 2j9j s LYS 70 Ca 0.07 1.25 0.00 0.00 0.02 0.00 0.00 55.97 57.31 2j9j s LYS 70 Cb -0.15 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 33.92 2j9j s LYS 70 CO 0.08 0.52 0.06 0.00 -0.92 0.00 0.00 175.35 175.09 2j9j s ALA 71 N -1.22 1.18 -0.22 5.17 0.00 -0.15 -4.76 121.76 121.76 2j9j s ALA 71 Ca 0.39 -1.60 -0.10 0.00 0.00 0.00 0.00 51.96 50.64 2j9j s ALA 71 Cb -0.23 0.90 0.08 0.00 0.00 0.00 0.00 23.12 23.87 2j9j s ALA 71 CO 0.27 -0.46 0.51 -1.50 0.00 0.00 0.00 175.76 174.59 2j9j s ILE 72 N -3.92 -0.29 -0.72 0.00 2.07 -1.26 -1.01 121.20 116.07 2j9j s ILE 72 Ca 0.29 0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.61 2j9j s ILE 72 Cb 0.07 -0.76 0.00 0.00 0.13 0.00 0.00 42.46 41.90 2j9j s ILE 72 CO 0.06 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.73 2j9j n GLY 73 N 4.69 -0.66 3.73 1.50 0.00 -0.72 -4.84 105.19 108.90 2j9j n GLY 73 Ca -0.18 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 2j9j n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j9j s THR 74 N -3.48 4.76 -0.07 2.61 2.01 -1.26 -0.90 115.64 119.31 2j9j s THR 74 Ca 0.00 1.77 0.03 0.00 0.31 0.00 0.00 61.69 63.80 2j9j s THR 74 Cb 0.00 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 68.33 2j9j s THR 74 CO 0.00 0.30 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.36 2j9j s VAL 75 N 0.30 1.53 -0.17 3.82 1.01 -0.14 -4.46 120.40 122.28 2j9j s VAL 75 Ca 0.43 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 2j9j s VAL 75 Cb -0.21 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 2j9j s VAL 75 CO 0.25 0.44 0.06 -0.76 0.00 0.00 0.00 175.10 175.09 2j9j s LEU 76 N 0.42 3.85 -0.16 3.92 1.43 0.11 -1.04 118.68 127.20 2j9j s LEU 76 Ca -0.14 0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.05 2j9j s LEU 76 Cb -0.16 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 2j9j s LEU 76 CO 0.05 0.20 -0.09 -0.69 0.23 0.00 0.00 176.35 176.06 2j9j s VAL 77 N 0.20 3.32 0.02 -1.59 1.01 0.16 -0.35 120.40 123.17 2j9j s VAL 77 Ca 0.04 -0.55 -0.28 0.00 0.00 0.00 0.00 61.98 61.20 2j9j s VAL 77 Cb -0.12 -2.44 0.10 0.00 0.00 0.00 0.00 36.38 33.91 2j9j s VAL 77 CO 0.00 0.49 1.24 -0.83 0.00 0.00 0.00 175.10 176.01 2j9j s GLY 78 N 0.67 -0.15 -0.48 4.51 0.00 -1.11 -0.70 107.32 110.06 2j9j s GLY 78 Ca -0.05 0.12 -0.28 0.00 0.00 0.00 0.00 44.72 44.51 2j9j s GLY 78 CO 0.02 3.87 1.51 2.56 0.00 0.00 0.00 173.10 181.06 2j9j s PRO 79 N -2.15 3.34 0.04 2.90 0.04 -1.26 -4.10 135.00 133.81 2j9j s PRO 79 Ca 0.25 0.77 0.03 0.00 0.04 0.00 0.00 61.00 62.10 2j9j s PRO 79 Cb 0.00 -4.12 -0.02 0.00 0.04 0.00 0.00 34.50 30.40 2j9j s PRO 79 CO -0.00 -1.87 -0.10 -0.08 0.04 0.00 0.00 177.00 174.99 2j9j s THR 80 N 6.22 0.78 -0.05 1.26 -1.32 -1.26 -5.02 115.64 116.25 2j9j s THR 80 Ca 0.61 -0.95 0.31 0.00 -1.21 0.00 0.00 61.69 60.45 2j9j s THR 80 Cb -0.13 -0.76 0.38 0.00 -1.51 0.00 0.00 72.50 70.48 2j9j s THR 80 CO 0.29 -0.16 1.88 1.55 -2.21 0.00 0.00 174.62 175.97 2j9j h PRO 81 N 4.85 0.00 -3.44 7.08 0.13 -1.99 -3.43 132.00 135.19 2j9j h PRO 81 Ca -0.36 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.53 2j9j h PRO 81 Cb 1.19 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.02 2j9j h PRO 81 CO 0.43 0.00 -0.63 0.54 -0.23 0.00 0.00 178.00 178.11 2j9j s VAL 82 N -3.54 -0.03 0.33 1.56 0.11 -1.26 -5.13 120.40 112.45 2j9j s VAL 82 Ca 0.03 0.10 -0.29 0.00 -2.93 0.00 0.00 61.98 58.89 2j9j s VAL 82 Cb 0.08 -0.15 -0.10 0.00 -1.53 0.00 0.00 36.38 34.68 2j9j s VAL 82 CO 0.58 0.04 1.29 0.20 -3.33 0.00 0.00 175.10 173.88 2j9j s ASN 83 N 0.58 6.78 -0.09 3.54 0.01 -1.26 -4.89 114.94 119.61 2j9j s ASN 83 Ca -0.04 2.65 0.01 0.00 -0.71 0.00 0.00 52.86 54.77 2j9j s ASN 83 Cb -0.06 -2.65 0.02 0.00 0.41 0.00 0.00 41.25 38.97 2j9j s ASN 83 CO -0.02 -0.53 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.29 2j9j s ILE 84 N -1.15 1.22 -0.38 0.60 1.01 0.42 -0.38 121.20 122.54 2j9j s ILE 84 Ca 0.49 -0.48 -0.14 0.00 0.00 0.00 0.00 60.65 60.52 2j9j s ILE 84 Cb -0.39 -1.15 0.00 0.00 0.01 0.00 0.00 42.46 40.93 2j9j s ILE 84 CO 0.52 0.39 0.29 -0.63 0.00 0.00 0.00 174.94 175.50 2j9j s ILE 85 N 1.08 5.26 0.35 2.92 -1.09 0.39 -1.21 121.20 128.90 2j9j s ILE 85 Ca -0.06 -0.41 0.04 0.00 -2.23 0.00 0.00 60.65 57.99 2j9j s ILE 85 Cb -0.15 -3.84 0.06 0.00 -1.58 0.00 0.00 42.46 36.96 2j9j s ILE 85 CO -0.02 -0.18 0.49 0.61 -1.23 0.00 0.00 174.94 174.61 2j9j n GLY 86 N 5.12 1.63 0.26 6.18 0.00 -1.19 -1.01 105.19 116.18 2j9j n GLY 86 Ca -0.11 -2.14 0.12 0.00 0.00 0.00 0.00 46.02 43.89 2j9j n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2j9j h ARG 87 N 0.00 0.00 -0.30 1.61 3.08 -1.06 -0.87 114.38 116.84 2j9j h ARG 87 Ca -0.16 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.90 2j9j h ARG 87 Cb 0.71 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 2j9j h ARG 87 CO 0.22 0.13 0.20 -2.95 -1.07 0.00 0.00 179.97 176.50 2j9j h ASN 88 N 0.00 0.31 0.01 7.04 -1.07 -1.81 -2.10 115.58 117.96 2j9j h ASN 88 Ca -0.00 -0.01 -0.37 0.00 0.07 0.00 0.00 56.30 55.99 2j9j h ASN 88 Cb 0.39 -0.08 -0.07 0.00 -2.07 0.00 0.00 38.32 36.49 2j9j h ASN 88 CO 0.02 0.22 -2.40 0.18 0.07 0.00 0.00 177.43 175.52 2j9j n LEU 89 N -4.49 0.91 -0.22 6.14 4.77 -0.73 -4.40 117.00 118.98 2j9j n LEU 89 Ca 0.02 -0.03 0.04 0.00 -0.03 0.00 0.00 56.01 56.01 2j9j n LEU 89 Cb 0.10 0.07 0.30 0.00 -2.33 0.00 0.00 43.42 41.56 2j9j n LEU 89 CO 0.35 0.63 1.23 -0.07 -1.33 0.00 0.00 177.39 178.20 2j9j h LEU 90 N 0.00 0.77 -1.41 2.23 3.38 -1.02 -1.27 115.31 117.99 2j9j h LEU 90 Ca -0.55 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.37 2j9j h LEU 90 Cb 2.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.71 2j9j h LEU 90 CO -0.00 0.51 -0.08 0.71 0.09 0.00 0.00 178.44 179.67 2j9j h THR 91 N 0.88 1.17 0.00 0.22 1.35 -1.60 -2.61 112.91 112.31 2j9j h THR 91 Ca 0.32 -0.71 -0.05 0.00 -0.55 0.00 0.00 66.41 65.42 2j9j h THR 91 Cb 0.16 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.69 2j9j h THR 91 CO -0.10 0.23 -0.24 1.56 -0.25 0.00 0.00 175.52 176.71 2j9j h GLN 92 N 0.28 0.00 -0.64 4.72 4.20 -1.44 -2.43 115.11 119.80 2j9j h GLN 92 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2j9j h GLN 92 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2j9j h GLN 92 CO 0.02 0.24 0.00 0.44 -0.67 0.00 0.00 178.83 178.86 2j9j n ILE 93 N -3.63 0.85 -1.82 2.54 -5.35 -1.01 -4.94 119.36 106.00 2j9j n ILE 93 Ca -0.01 -0.93 -0.02 0.00 -0.27 0.00 0.00 62.75 61.53 2j9j n ILE 93 Cb 0.37 0.65 -0.01 0.00 -1.74 0.00 0.00 39.64 38.90 2j9j n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2j9j n GLY 94 N 1.64 -3.98 0.00 3.28 0.00 -0.92 -5.10 105.19 100.11 2j9j n GLY 94 Ca 0.23 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.52 2j9j n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2j9j n THR 96 N 0.72 0.00 -3.44 2.61 -2.24 -1.26 -5.05 114.28 105.62 2j9j n THR 96 Ca -0.12 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.28 2j9j n THR 96 Cb 0.19 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.36 2j9j n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2j9j s LEU 97 N 0.00 4.48 -0.03 3.22 1.43 -1.26 -5.10 118.68 121.42 2j9j s LEU 97 Ca 0.00 1.03 -0.02 0.00 -1.03 0.00 0.00 54.13 54.12 2j9j s LEU 97 Cb 0.00 -2.71 0.02 0.00 0.03 0.00 0.00 46.19 43.53 2j9j s LEU 97 CO 0.00 0.30 0.06 0.20 0.23 0.00 0.00 176.35 177.14 2j9j s ASN 98 N -1.14 -0.04 0.00 2.29 0.01 -1.26 -5.30 114.94 109.50 2j9j s ASN 98 Ca 0.26 0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.53 2j9j s ASN 98 Cb -0.17 0.08 0.00 0.00 0.41 0.00 0.00 41.25 41.57 2j9j s ASN 98 CO 0.15 -0.06 0.00 2.22 -1.51 0.00 0.00 177.10 177.90