#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 3.48 -0.15 0.54 0.74 -1.26 -5.11 119.66 117.91 2j9j s GLN 2 Ca 0.00 -0.59 0.02 0.00 0.05 0.00 0.00 55.36 54.83 2j9j s GLN 2 Cb 0.00 -2.94 0.02 0.00 1.10 0.00 0.00 33.01 31.19 2j9j s GLN 2 CO 0.00 0.01 -0.19 0.42 -0.55 0.00 0.00 175.29 174.98 2j9j s ILE 3 N 0.96 1.89 0.79 -2.34 1.01 -1.26 -5.13 121.20 117.12 2j9j s ILE 3 Ca -0.00 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.71 2j9j s ILE 3 Cb -0.15 -1.70 0.12 0.00 0.01 0.00 0.00 42.46 40.74 2j9j s ILE 3 CO 0.01 0.51 1.12 0.42 0.00 0.00 0.00 174.94 177.00 2j9j s THR 4 N 1.08 2.14 -0.10 2.92 -4.23 -1.26 -5.04 115.64 111.15 2j9j s THR 4 Ca -0.02 -0.25 0.15 0.00 -1.18 0.00 0.00 61.69 60.39 2j9j s THR 4 Cb -0.14 -2.89 0.22 0.00 1.34 0.00 0.00 72.50 71.03 2j9j s THR 4 CO -0.06 0.00 1.11 0.18 -0.54 0.00 0.00 174.62 175.31 2j9j n LEU 5 N -3.19 2.11 0.24 4.79 4.77 -1.26 -4.60 117.00 119.86 2j9j n LEU 5 Ca 0.12 -2.75 0.08 0.00 -0.03 0.00 0.00 56.01 53.42 2j9j n LEU 5 Cb 0.60 -0.33 0.58 0.00 -2.33 0.00 0.00 43.42 41.94 2j9j n LEU 5 CO 0.48 0.64 0.93 -0.50 -1.33 0.00 0.00 177.39 177.61 2j9j h TRP 6 N 0.00 0.00 -2.13 -1.77 4.06 -2.07 -3.43 115.95 110.61 2j9j h TRP 6 Ca 0.00 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.35 2j9j h TRP 6 Cb 0.95 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.98 2j9j h TRP 6 CO 0.01 0.16 -0.72 0.15 -3.56 0.00 0.00 178.44 174.47 2j9j s LYS 7 N -4.54 1.72 0.27 0.49 1.02 -1.26 -5.11 119.74 112.33 2j9j s LYS 7 Ca -0.04 -1.84 -0.31 0.00 0.02 0.00 0.00 55.97 53.81 2j9j s LYS 7 Cb 0.15 -1.69 -0.13 0.00 -0.52 0.00 0.00 37.83 35.64 2j9j s LYS 7 CO 0.66 0.23 1.45 0.54 -0.92 0.00 0.00 175.35 177.31 2j9j n ARG 8 N -0.69 2.25 -1.83 1.68 1.74 -1.26 -4.85 116.66 113.70 2j9j n ARG 8 Ca -0.05 0.80 -0.42 0.00 -0.77 0.00 0.00 57.85 57.41 2j9j n ARG 8 Cb 0.62 -2.49 -0.00 0.00 -1.02 0.00 0.00 32.46 29.57 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 1.91 2.87 -3.15 5.56 -0.04 -1.26 -4.93 135.00 135.95 2j9j n PRO 9 Ca 0.10 -2.67 -0.39 0.00 -0.04 0.00 0.00 63.50 60.49 2j9j n PRO 9 Cb 0.33 -3.31 -0.05 0.00 -0.04 0.00 0.00 33.50 30.43 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 2.47 4.40 0.18 1.53 1.43 -1.26 -1.30 118.68 126.13 2j9j s LEU 10 Ca 0.48 1.19 0.01 0.00 -1.03 0.00 0.00 54.13 54.79 2j9j s LEU 10 Cb 0.13 -2.98 -0.05 0.00 0.03 0.00 0.00 46.19 43.32 2j9j s LEU 10 CO -0.06 0.05 0.02 0.68 0.23 0.00 0.00 176.35 177.26 2j9j s VAL 11 N 0.02 0.60 0.06 -1.59 -7.23 -0.01 -4.94 120.40 107.32 2j9j s VAL 11 Ca 0.33 -1.98 -0.19 0.00 -1.81 0.00 0.00 61.98 58.33 2j9j s VAL 11 Cb -0.18 -2.17 -0.06 0.00 0.56 0.00 0.00 36.38 34.52 2j9j s VAL 11 CO 0.18 -0.42 0.56 -0.89 -0.31 0.00 0.00 175.10 174.22 2j9j s THR 12 N -3.71 4.78 0.25 5.32 2.01 -1.26 -0.94 115.64 122.09 2j9j s THR 12 Ca 0.25 1.19 0.11 0.00 0.31 0.00 0.00 61.69 63.55 2j9j s THR 12 Cb 0.06 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 2j9j s THR 12 CO 0.05 0.54 -0.19 0.27 -0.69 0.00 0.00 174.62 174.60 2j9j s ILE 13 N -0.99 2.27 -0.13 1.82 -4.36 0.21 -4.65 121.20 115.37 2j9j s ILE 13 Ca 0.29 -2.32 0.01 0.00 -0.26 0.00 0.00 60.65 58.37 2j9j s ILE 13 Cb -0.19 -2.21 -0.01 0.00 1.25 0.00 0.00 42.46 41.30 2j9j s ILE 13 CO 0.18 -0.42 -0.16 -0.13 0.24 0.00 0.00 174.94 174.65 2j9j s ARG 14 N -3.45 3.26 -0.09 0.37 0.52 -0.13 -1.20 118.95 118.22 2j9j s ARG 14 Ca 0.27 -0.75 -0.04 0.00 -0.52 0.00 0.00 55.73 54.69 2j9j s ARG 14 Cb -0.04 -2.55 0.04 0.00 0.52 0.00 0.00 34.95 32.92 2j9j s ARG 14 CO 0.12 0.15 0.21 -1.50 0.02 0.00 0.00 175.30 174.30 2j9j s ILE 15 N 0.48 -0.05 -1.92 1.52 2.07 -0.15 -1.33 121.20 121.82 2j9j s ILE 15 Ca -0.11 0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.29 2j9j s ILE 15 Cb -0.16 -0.33 0.00 0.00 0.13 0.00 0.00 42.46 42.10 2j9j s ILE 15 CO 0.05 0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.75 2j9j n GLY 16 N 4.23 0.52 2.73 1.50 0.00 -1.26 -1.19 105.19 111.72 2j9j n GLY 16 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.74 1.06 3.72 -0.02 0.00 -1.26 -5.04 105.19 102.91 2j9j n GLY 17 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 2j9j n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j9j s GLN 18 N -0.09 2.80 0.07 1.61 -1.52 -0.34 -5.10 119.66 117.08 2j9j s GLN 18 Ca 0.00 -0.67 -0.25 0.00 -1.95 0.00 0.00 55.36 52.50 2j9j s GLN 18 Cb 0.00 -2.68 -0.06 0.00 -0.22 0.00 0.00 33.01 30.05 2j9j s GLN 18 CO 0.00 0.59 0.76 -0.51 -0.25 0.00 0.00 175.29 175.88 2j9j s LEU 19 N -1.97 4.48 0.09 2.90 1.43 -1.26 -0.98 118.68 123.37 2j9j s LEU 19 Ca 0.24 1.47 -0.03 0.00 -1.03 0.00 0.00 54.13 54.78 2j9j s LEU 19 Cb -0.12 -3.22 -0.03 0.00 0.03 0.00 0.00 46.19 42.85 2j9j s LEU 19 CO 0.16 0.06 0.06 -0.54 0.23 0.00 0.00 176.35 176.31 2j9j s LYS 20 N -0.28 0.78 -0.12 1.70 1.02 -0.34 -4.99 119.74 117.51 2j9j s LYS 20 Ca 0.38 -1.22 -0.08 0.00 0.02 0.00 0.00 55.97 55.07 2j9j s LYS 20 Cb -0.21 0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.32 2j9j s LYS 20 CO 0.23 -0.20 0.15 -2.00 -0.92 0.00 0.00 175.35 172.61 2j9j s GLU 21 N -3.94 3.52 0.02 1.68 2.12 -1.26 -0.62 118.70 120.21 2j9j s GLU 21 Ca 0.12 -0.11 -0.13 0.00 0.36 0.00 0.00 54.97 55.21 2j9j s GLU 21 Cb 0.07 -3.21 0.02 0.00 0.26 0.00 0.00 34.13 31.27 2j9j s GLU 21 CO -0.06 0.74 0.28 0.00 -0.54 0.00 0.00 175.26 175.68 2j9j s ALA 22 N -0.94 -0.64 -0.18 6.30 0.00 -0.12 -4.53 121.76 121.65 2j9j s ALA 22 Ca 0.15 0.05 -0.18 0.00 0.00 0.00 0.00 51.96 51.98 2j9j s ALA 22 Cb -0.12 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 2j9j s ALA 22 CO 0.04 -0.35 0.48 -1.17 0.00 0.00 0.00 175.76 174.76 2j9j s LEU 23 N -1.81 4.19 -0.35 0.00 2.96 0.51 -0.83 118.68 123.35 2j9j s LEU 23 Ca -0.08 0.68 -0.29 0.00 -0.22 0.00 0.00 54.13 54.22 2j9j s LEU 23 Cb -0.03 -2.66 0.00 0.00 0.50 0.00 0.00 46.19 44.00 2j9j s LEU 23 CO -0.01 -0.10 1.42 -0.76 -1.32 0.00 0.00 176.35 175.58 2j9j s LEU 24 N 1.27 3.71 -0.38 -0.68 1.43 -0.42 -0.60 118.68 123.01 2j9j s LEU 24 Ca 0.23 1.07 0.02 0.00 -1.03 0.00 0.00 54.13 54.42 2j9j s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.64 2j9j s LEU 24 CO 0.09 -1.31 0.15 -0.62 0.23 0.00 0.00 176.35 174.89 2j9j s ASP 25 N 3.71 4.14 0.59 2.29 2.15 -0.15 -4.79 116.67 124.62 2j9j s ASP 25 Ca 0.62 -2.23 0.37 0.00 0.43 0.00 0.00 52.55 51.73 2j9j s ASP 25 Cb -0.16 -1.20 1.80 0.00 -0.30 0.00 0.00 42.92 43.06 2j9j s ASP 25 CO 0.29 -0.34 2.15 0.71 -0.17 0.00 0.00 175.17 177.82 2j9j h THR 26 N 6.03 0.10 -0.16 1.71 1.35 -1.93 -2.37 112.91 117.63 2j9j h THR 26 Ca -0.07 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 2j9j h THR 26 Cb 0.97 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 2j9j h THR 26 CO 0.51 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 2j9j n GLY 27 N -0.52 -0.07 3.45 5.82 0.00 -1.26 -4.83 105.19 107.77 2j9j n GLY 27 Ca -0.01 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.79 2.94 0.20 4.61 0.00 -0.89 -4.99 121.76 121.84 2j9j s ALA 28 Ca 0.23 -0.92 -0.07 0.00 0.00 0.00 0.00 51.96 51.20 2j9j s ALA 28 Cb 0.12 -1.58 0.14 0.00 0.00 0.00 0.00 23.12 21.79 2j9j s ALA 28 CO 0.18 0.05 1.69 -0.44 0.00 0.00 0.00 175.76 177.23 2j9j h ASP 29 N 7.08 1.02 -2.04 0.00 3.32 -1.88 0.80 116.42 124.71 2j9j h ASP 29 Ca -0.33 -0.26 -0.60 0.00 0.02 0.00 0.00 57.03 55.87 2j9j h ASP 29 Cb 1.19 -0.27 -0.13 0.00 0.22 0.00 0.00 39.33 40.33 2j9j h ASP 29 CO 0.61 1.03 -0.63 -1.81 -1.72 0.00 0.00 179.24 176.72 2j9j s ASP 30 N -6.55 3.57 -0.21 6.45 1.01 -1.26 -2.66 116.67 117.02 2j9j s ASP 30 Ca -0.11 -1.30 -0.08 0.00 0.71 0.00 0.00 52.55 51.76 2j9j s ASP 30 Cb 0.14 -0.33 -0.04 0.00 1.01 0.00 0.00 42.92 43.70 2j9j s ASP 30 CO 0.85 -0.38 0.09 -0.89 0.21 0.00 0.00 175.17 175.05 2j9j s THR 31 N -2.77 4.86 -0.08 -1.27 2.01 -1.26 -3.10 115.64 114.04 2j9j s THR 31 Ca 0.34 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.34 2j9j s THR 31 Cb 0.07 -3.23 0.03 0.00 0.01 0.00 0.00 72.50 69.37 2j9j s THR 31 CO 0.17 0.40 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.78 2j9j s VAL 32 N 0.80 0.61 0.06 3.82 1.01 -0.40 -0.61 120.40 125.69 2j9j s VAL 32 Ca 0.05 -0.06 0.10 0.00 0.00 0.00 0.00 61.98 62.06 2j9j s VAL 32 Cb -0.13 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 2j9j s VAL 32 CO 0.02 0.28 -0.26 -0.63 0.00 0.00 0.00 175.10 174.51 2j9j s ILE 33 N 1.63 2.16 0.86 2.22 -1.09 0.67 -0.60 121.20 127.06 2j9j s ILE 33 Ca 0.01 -1.45 -0.13 0.00 -2.23 0.00 0.00 60.65 56.85 2j9j s ILE 33 Cb -0.13 -1.86 0.05 0.00 -1.58 0.00 0.00 42.46 38.94 2j9j s ILE 33 CO -0.05 0.32 0.73 -1.84 -1.23 0.00 0.00 174.94 172.88 2j9j n GLU 34 N 1.64 -0.07 -1.60 2.79 0.28 -1.25 -1.14 120.64 121.28 2j9j n GLU 34 Ca -0.17 0.04 -0.46 0.00 -0.16 0.00 0.00 57.16 56.41 2j9j n GLU 34 Cb 0.52 -2.06 -0.03 0.00 1.43 0.00 0.00 31.44 31.30 2j9j n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2j9j n GLU 35 N -2.22 1.42 -3.66 3.44 1.02 -1.21 -4.52 120.64 114.91 2j9j n GLU 35 Ca 0.10 0.50 -0.35 0.00 -0.02 0.00 0.00 57.16 57.39 2j9j n GLU 35 Cb 0.52 -1.97 -0.05 0.00 -0.02 0.00 0.00 31.44 29.91 2j9j n GLU 35 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2j9j s ASN 37 N -0.21 6.59 0.11 1.62 0.02 -1.26 -5.02 114.94 116.78 2j9j s ASN 37 Ca 0.65 0.70 0.05 0.00 -1.02 0.00 0.00 52.86 53.24 2j9j s ASN 37 Cb -0.74 -2.14 -0.04 0.00 0.02 0.00 0.00 41.25 38.35 2j9j s ASN 37 CO 0.56 0.24 -0.13 -0.76 0.02 0.00 0.00 177.10 177.02 2j9j s LEU 38 N -1.70 2.38 0.59 0.60 1.43 -1.26 -5.02 118.68 115.69 2j9j s LEU 38 Ca 0.29 -0.77 -0.20 0.00 -1.03 0.00 0.00 54.13 52.42 2j9j s LEU 38 Cb -0.14 -0.48 -0.03 0.00 0.03 0.00 0.00 46.19 45.56 2j9j s LEU 38 CO 0.16 -0.16 1.29 -2.84 0.23 0.00 0.00 176.35 175.03 2j9j s PRO 39 N -2.50 2.93 2.99 1.29 0.02 -1.26 -5.05 135.00 133.42 2j9j s PRO 39 Ca 0.06 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.13 2j9j s PRO 39 Cb -0.05 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.42 2j9j s PRO 39 CO 0.02 -1.30 0.00 0.41 -0.33 0.00 0.00 177.00 175.81 2j9j n GLY 40 N 0.72 1.35 0.00 0.52 0.00 -1.26 -5.01 105.19 101.51 2j9j n GLY 40 Ca 0.13 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 2.50 0.00 -4.16 1.61 4.27 -1.26 -5.12 117.44 115.28 2j9j n TRP 42 Ca 0.00 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.46 2j9j n TRP 42 Cb 0.00 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 29.84 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 0.80 0.52 -2.67 -2.85 -0.84 -4.92 119.74 107.78 2j9j s LYS 43 Ca 0.00 -1.07 -0.22 0.00 -1.00 0.00 0.00 55.97 53.68 2j9j s LYS 43 Cb 0.00 -0.55 -0.06 0.00 -2.06 0.00 0.00 37.83 35.17 2j9j s LYS 43 CO 0.00 0.09 1.32 -2.14 0.10 0.00 0.00 175.35 174.72 2j9j s PRO 44 N -2.45 3.33 0.00 1.78 0.02 -1.26 -0.48 135.00 135.93 2j9j s PRO 44 Ca 0.02 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.18 2j9j s PRO 44 Cb -0.05 -2.33 0.00 0.00 0.02 0.00 0.00 34.50 32.14 2j9j s PRO 44 CO 0.00 -1.01 0.00 1.17 -0.33 0.00 0.00 177.00 176.83 2j9j n LYS 45 N -0.83 0.00 0.00 5.54 4.81 -0.69 -4.82 118.16 122.17 2j9j n LYS 45 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2j9j n LYS 45 Cb 0.45 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.50 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 -4.40 3.15 -5.35 -0.65 -0.91 119.36 111.20 2j9j n ILE 47 Ca 0.00 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.28 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 1.76 0.00 3.28 0.00 -1.26 -0.88 107.32 110.22 2j9j s GLY 48 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.85 2j9j s GLY 48 CO 0.00 -1.80 0.00 0.61 0.00 0.00 0.00 173.10 171.91 2j9j n GLY 49 N -0.54 2.25 0.12 0.20 0.00 -0.11 -4.98 105.19 102.13 2j9j n GLY 49 Ca -0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.68 2j9j n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2j9j h ILE 50 N 0.00 0.00 0.00 -0.61 2.04 -2.02 -2.23 117.51 114.69 2j9j h ILE 50 Ca 0.00 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2j9j h ILE 50 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 2j9j h ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 2j9j n GLY 51 N 0.03 -1.16 0.00 5.37 0.00 -1.26 -4.92 105.19 103.25 2j9j n GLY 51 Ca -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.52 0.62 3.79 -0.02 0.00 -0.84 -5.11 105.19 104.14 2j9j n GLY 52 Ca 0.05 -1.97 -0.31 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 -1.62 3.22 0.14 1.61 0.40 -1.26 -0.93 117.98 119.53 2j9j s PHE 53 Ca 0.00 0.10 0.05 0.00 -0.60 0.00 0.00 56.93 56.48 2j9j s PHE 53 Cb 0.00 -1.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.85 2j9j s PHE 53 CO 0.00 0.53 -0.12 0.96 0.70 0.00 0.00 175.22 177.29 2j9j s ILE 54 N -1.39 1.25 0.01 0.64 -4.36 -0.06 -4.98 121.20 112.32 2j9j s ILE 54 Ca 0.29 -1.88 -0.19 0.00 -0.26 0.00 0.00 60.65 58.61 2j9j s ILE 54 Cb -0.12 -1.67 -0.06 0.00 1.25 0.00 0.00 42.46 41.86 2j9j s ILE 54 CO 0.22 -0.58 0.54 -0.54 0.24 0.00 0.00 174.94 174.83 2j9j s LYS 55 N -3.19 4.22 0.18 0.37 1.02 -1.26 -1.64 119.74 119.44 2j9j s LYS 55 Ca 0.13 0.65 0.01 0.00 0.02 0.00 0.00 55.97 56.78 2j9j s LYS 55 Cb -0.01 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 2j9j s LYS 55 CO 0.02 0.49 0.05 0.14 -0.92 0.00 0.00 175.35 175.13 2j9j s VAL 56 N -0.55 0.43 -0.20 3.17 -7.23 -0.08 -4.48 120.40 111.46 2j9j s VAL 56 Ca 0.29 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 58.36 2j9j s VAL 56 Cb -0.18 -2.25 -0.05 0.00 0.56 0.00 0.00 36.38 34.47 2j9j s VAL 56 CO 0.16 -0.33 0.25 -0.13 -0.31 0.00 0.00 175.10 174.75 2j9j s ARG 57 N -4.00 4.17 -0.37 4.82 0.52 0.29 -1.71 118.95 122.66 2j9j s ARG 57 Ca 0.28 -0.04 -0.15 0.00 -0.52 0.00 0.00 55.73 55.30 2j9j s ARG 57 Cb 0.07 -3.49 -0.00 0.00 0.52 0.00 0.00 34.95 32.05 2j9j s ARG 57 CO 0.06 0.12 0.36 -1.14 0.02 0.00 0.00 175.30 174.72 2j9j s GLN 58 N 0.87 3.36 -0.18 3.54 0.74 0.36 -0.61 119.66 127.74 2j9j s GLN 58 Ca 0.13 -0.61 -0.06 0.00 0.05 0.00 0.00 55.36 54.87 2j9j s GLN 58 Cb -0.13 -3.87 -0.04 0.00 1.10 0.00 0.00 33.01 30.07 2j9j s GLN 58 CO 0.04 -0.63 0.03 0.71 -0.55 0.00 0.00 175.29 174.89 2j9j s TYR 59 N 1.97 3.16 0.14 1.67 1.51 -0.39 -1.98 117.35 123.43 2j9j s TYR 59 Ca 0.10 -0.09 0.04 0.00 -1.01 0.00 0.00 57.07 56.11 2j9j s TYR 59 Cb -0.17 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.60 2j9j s TYR 59 CO 0.12 0.06 0.18 -0.51 -1.11 0.00 0.00 175.55 174.28 2j9j s ASP 60 N 0.43 5.81 -1.26 2.29 1.01 -1.26 -0.94 116.67 122.74 2j9j s ASP 60 Ca 0.01 -0.00 -0.01 0.00 0.71 0.00 0.00 52.55 53.25 2j9j s ASP 60 Cb -0.13 -1.61 0.00 0.00 1.01 0.00 0.00 42.92 42.19 2j9j s ASP 60 CO 0.01 0.08 0.89 0.00 0.21 0.00 0.00 175.17 176.36 2j9j n GLN 61 N -0.28 -5.96 -3.54 8.23 1.13 -1.13 -4.90 117.38 110.94 2j9j n GLN 61 Ca -0.08 0.74 -0.38 0.00 -1.94 0.00 0.00 57.00 55.35 2j9j n GLN 61 Cb 0.54 -5.57 -0.10 0.00 0.11 0.00 0.00 30.24 25.22 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 -3.48 5.28 0.20 5.09 -1.09 0.25 -4.70 121.20 122.75 2j9j s ILE 62 Ca 0.06 0.35 -0.30 0.00 -2.23 0.00 0.00 60.65 58.52 2j9j s ILE 62 Cb -0.03 -3.59 -0.09 0.00 -1.58 0.00 0.00 42.46 37.18 2j9j s ILE 62 CO 0.77 0.26 1.35 -2.84 -1.23 0.00 0.00 174.94 173.25 2j9j s PRO 63 N 1.52 4.35 -0.04 2.79 0.02 -1.26 -1.69 135.00 140.70 2j9j s PRO 63 Ca 0.11 2.12 0.01 0.00 0.02 0.00 0.00 61.00 63.26 2j9j s PRO 63 Cb -0.15 -3.18 0.02 0.00 0.02 0.00 0.00 34.50 31.22 2j9j s PRO 63 CO 0.08 -0.31 -0.02 0.08 -0.33 0.00 0.00 177.00 176.50 2j9j s VAL 64 N 0.18 0.35 -0.26 3.83 1.01 0.03 -4.39 120.40 121.15 2j9j s VAL 64 Ca 0.58 -0.01 -0.09 0.00 0.00 0.00 0.00 61.98 62.45 2j9j s VAL 64 Cb -0.38 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 2j9j s VAL 64 CO 0.39 0.18 0.14 -0.70 0.00 0.00 0.00 175.10 175.11 2j9j s GLU 65 N 0.99 3.86 -0.21 2.72 2.12 -0.44 -1.00 118.70 126.73 2j9j s GLU 65 Ca -0.10 -0.37 0.13 0.00 0.36 0.00 0.00 54.97 54.98 2j9j s GLU 65 Cb -0.14 -3.50 0.43 0.00 0.26 0.00 0.00 34.13 31.18 2j9j s GLU 65 CO -0.01 -0.13 1.31 -0.89 -0.54 0.00 0.00 175.26 174.99 2j9j n ILE 66 N 4.85 2.26 0.00 -3.70 5.41 -1.26 -0.96 119.36 125.96 2j9j n ILE 66 Ca -0.15 -2.70 0.00 0.00 1.00 0.00 0.00 62.75 60.90 2j9j n ILE 66 Cb 0.52 -0.27 0.00 0.00 -0.71 0.00 0.00 39.64 39.18 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 -1.11 0.00 3.58 7.39 0.00 -1.26 -4.76 105.19 109.03 2j9j n GLY 68 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 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 3.08 0.16 1.61 4.02 -1.26 -5.09 115.29 117.80 2j9j s HIS 69 Ca 0.00 -0.06 -0.21 0.00 1.02 0.00 0.00 55.06 55.82 2j9j s HIS 69 Cb 0.00 -1.88 -0.08 0.00 -1.02 0.00 0.00 32.58 29.60 2j9j s HIS 69 CO 0.00 0.20 0.68 0.15 1.02 0.00 0.00 174.74 176.79 2j9j s LYS 70 N -0.21 4.30 0.05 1.40 1.02 -1.26 -4.35 119.74 120.69 2j9j s LYS 70 Ca 0.04 0.87 0.00 0.00 0.02 0.00 0.00 55.97 56.91 2j9j s LYS 70 Cb -0.13 -3.09 -0.03 0.00 -0.52 0.00 0.00 37.83 34.07 2j9j s LYS 70 CO 0.02 0.52 -0.05 0.00 -0.92 0.00 0.00 175.35 174.93 2j9j s ALA 71 N -1.30 0.51 -0.11 5.17 0.00 -0.17 -4.59 121.76 121.27 2j9j s ALA 71 Ca 0.37 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 51.30 2j9j s ALA 71 Cb -0.19 0.18 0.05 0.00 0.00 0.00 0.00 23.12 23.15 2j9j s ALA 71 CO 0.22 -0.23 0.07 0.42 0.00 0.00 0.00 175.76 176.24 2j9j s ILE 72 N -2.76 -0.06 0.00 0.00 1.01 -1.26 -0.79 121.20 117.34 2j9j s ILE 72 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.73 2j9j s ILE 72 Cb -0.00 -0.40 0.00 0.00 0.01 0.00 0.00 42.46 42.06 2j9j s ILE 72 CO -0.05 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.45 2j9j n GLY 73 N 5.28 1.24 3.73 6.18 0.00 -0.68 -4.78 105.19 116.16 2j9j n GLY 73 Ca -0.05 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.29 4.00 -0.11 2.61 2.01 -1.26 -0.58 115.64 120.02 2j9j s THR 74 Ca 0.00 1.65 0.02 0.00 0.31 0.00 0.00 61.69 63.67 2j9j s THR 74 Cb 0.00 -4.05 0.01 0.00 0.01 0.00 0.00 72.50 68.47 2j9j s THR 74 CO 0.00 0.24 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.31 2j9j s VAL 75 N 0.08 1.68 -0.11 3.82 1.01 -0.12 -4.46 120.40 122.30 2j9j s VAL 75 Ca 0.51 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.63 2j9j s VAL 75 Cb -0.28 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 2j9j s VAL 75 CO 0.33 0.48 0.22 -0.76 0.00 0.00 0.00 175.10 175.37 2j9j s LEU 76 N 0.86 4.35 -0.14 3.92 1.43 0.22 -1.26 118.68 128.07 2j9j s LEU 76 Ca -0.08 0.54 0.02 0.00 -1.03 0.00 0.00 54.13 53.58 2j9j s LEU 76 Cb -0.15 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.85 2j9j s LEU 76 CO -0.00 0.30 -0.20 -0.69 0.23 0.00 0.00 176.35 175.99 2j9j s VAL 77 N -0.57 1.93 -0.21 -1.59 1.01 0.22 -0.24 120.40 120.95 2j9j s VAL 77 Ca 0.16 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2j9j s VAL 77 Cb -0.13 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.53 2j9j s VAL 77 CO 0.05 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2j9j n GLY 78 N 4.20 -1.23 2.31 4.51 0.00 -0.29 -0.55 105.19 114.13 2j9j n GLY 78 Ca -0.20 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 2j9j n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2j9j n PRO 79 N -0.01 3.06 -2.57 1.61 -0.04 -1.26 -3.28 135.00 132.51 2j9j n PRO 79 Ca 0.00 -1.82 -0.37 0.00 -0.04 0.00 0.00 63.50 61.27 2j9j n PRO 79 Cb 0.00 -2.57 -0.04 0.00 -0.04 0.00 0.00 33.50 30.84 2j9j n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2j9j s THR 80 N 2.19 3.77 0.39 0.52 -1.32 -1.26 -4.96 115.64 114.97 2j9j s THR 80 Ca 0.63 1.41 0.19 0.00 -1.21 0.00 0.00 61.69 62.71 2j9j s THR 80 Cb 0.19 -3.75 0.20 0.00 -1.51 0.00 0.00 72.50 67.62 2j9j s THR 80 CO -0.04 0.06 1.95 -0.65 -2.21 0.00 0.00 174.62 173.73 2j9j h PRO 81 N 2.72 0.00 -2.92 7.08 0.11 -1.98 -3.44 132.00 133.56 2j9j h PRO 81 Ca -0.48 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 2j9j h PRO 81 Cb 1.21 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.11 2j9j h PRO 81 CO 0.63 0.22 -0.25 0.54 -0.21 0.00 0.00 178.00 178.93 2j9j s VAL 82 N -4.25 0.04 0.19 3.15 0.11 -1.26 -5.11 120.40 113.27 2j9j s VAL 82 Ca -0.03 -0.31 -0.31 0.00 -2.93 0.00 0.00 61.98 58.41 2j9j s VAL 82 Cb 0.14 -0.60 -0.09 0.00 -1.53 0.00 0.00 36.38 34.29 2j9j s VAL 82 CO 0.66 -0.17 1.42 0.20 -3.33 0.00 0.00 175.10 173.88 2j9j s ASN 83 N -0.86 6.74 -0.08 3.54 0.01 -1.26 -4.86 114.94 118.16 2j9j s ASN 83 Ca -0.09 2.51 0.03 0.00 -0.71 0.00 0.00 52.86 54.60 2j9j s ASN 83 Cb -0.04 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 39.02 2j9j s ASN 83 CO 0.03 -0.67 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.16 2j9j s ILE 84 N 0.52 1.45 -0.40 0.60 1.01 0.23 -0.36 121.20 124.24 2j9j s ILE 84 Ca 0.62 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 60.46 2j9j s ILE 84 Cb -0.40 -1.29 0.02 0.00 0.01 0.00 0.00 42.46 40.80 2j9j s ILE 84 CO 0.37 0.42 0.32 -0.63 0.00 0.00 0.00 174.94 175.42 2j9j s ILE 85 N 0.60 5.23 0.56 2.92 -1.09 0.23 -1.27 121.20 128.38 2j9j s ILE 85 Ca -0.15 -0.55 0.02 0.00 -2.23 0.00 0.00 60.65 57.74 2j9j s ILE 85 Cb -0.16 -3.92 0.11 0.00 -1.58 0.00 0.00 42.46 36.90 2j9j s ILE 85 CO 0.05 -0.29 0.77 0.61 -1.23 0.00 0.00 174.94 174.85 2j9j n GLY 86 N 5.14 1.09 0.24 6.18 0.00 -1.18 -0.97 105.19 115.69 2j9j n GLY 86 Ca -0.11 -2.08 0.07 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.66 1.61 3.08 -0.87 -0.30 114.38 117.24 2j9j h ARG 87 Ca -0.26 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.89 2j9j h ARG 87 Cb 1.01 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.02 2j9j h ARG 87 CO 0.30 0.12 0.44 -2.95 -1.07 0.00 0.00 179.97 176.81 2j9j h ASN 88 N 0.00 0.48 0.03 7.04 -1.07 -1.76 -1.61 115.58 118.70 2j9j h ASN 88 Ca -0.00 0.01 -0.37 0.00 0.07 0.00 0.00 56.30 56.01 2j9j h ASN 88 Cb 0.23 -0.09 -0.07 0.00 -2.07 0.00 0.00 38.32 36.32 2j9j h ASN 88 CO 0.02 0.29 -2.36 0.18 0.07 0.00 0.00 177.43 175.63 2j9j n LEU 89 N -4.48 0.56 -0.16 6.14 4.77 -0.74 -4.27 117.00 118.82 2j9j n LEU 89 Ca 0.11 0.01 0.02 0.00 -0.03 0.00 0.00 56.01 56.11 2j9j n LEU 89 Cb 0.34 0.24 0.30 0.00 -2.33 0.00 0.00 43.42 41.96 2j9j n LEU 89 CO 0.33 0.57 1.22 -0.07 -1.33 0.00 0.00 177.39 178.11 2j9j h LEU 90 N 0.00 0.75 -1.11 2.23 3.38 -0.91 -1.54 115.31 118.12 2j9j h LEU 90 Ca -0.54 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.37 2j9j h LEU 90 Cb 2.18 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.71 2j9j h LEU 90 CO 0.02 0.54 0.16 0.71 0.09 0.00 0.00 178.44 179.96 2j9j h THR 91 N 0.89 1.21 -0.33 0.22 1.35 -1.50 -2.67 112.91 112.09 2j9j h THR 91 Ca 0.25 -0.72 -0.08 0.00 -0.55 0.00 0.00 66.41 65.31 2j9j h THR 91 Cb -0.09 0.63 -0.02 0.00 -1.73 0.00 0.00 68.15 66.95 2j9j h THR 91 CO -0.06 0.27 -0.11 1.56 -0.25 0.00 0.00 175.52 176.94 2j9j h GLN 92 N 0.77 0.57 -0.15 4.72 4.20 -1.47 -2.37 115.11 121.39 2j9j h GLN 92 Ca 0.18 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2j9j h GLN 92 Cb 0.23 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2j9j h GLN 92 CO -0.01 0.68 0.00 0.44 -0.67 0.00 0.00 178.83 179.27 2j9j n ILE 93 N -4.19 0.19 -0.99 2.54 -5.35 -1.04 -4.95 119.36 105.57 2j9j n ILE 93 Ca 0.01 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 2j9j n ILE 93 Cb 0.33 0.37 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 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 1.13 -2.55 0.00 3.28 0.00 -0.90 -5.08 105.19 101.08 2j9j n GLY 94 Ca 0.16 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.21 0.00 -3.65 2.61 -2.24 -1.26 -5.03 114.28 104.91 2j9j n THR 96 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 2j9j n THR 96 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 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 4.43 -0.01 3.22 1.43 -1.26 -5.10 118.68 121.39 2j9j s LEU 97 Ca 0.00 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 2j9j s LEU 97 Cb 0.00 -2.37 0.01 0.00 0.03 0.00 0.00 46.19 43.86 2j9j s LEU 97 CO 0.00 0.35 -0.01 0.20 0.23 0.00 0.00 176.35 177.12 2j9j s ASN 98 N -0.97 0.23 0.00 2.29 0.01 -1.26 -5.29 114.94 109.94 2j9j s ASN 98 Ca 0.20 -0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.32 2j9j s ASN 98 Cb -0.15 -0.06 0.00 0.00 0.41 0.00 0.00 41.25 41.45 2j9j s ASN 98 CO 0.09 -0.01 0.00 2.22 -1.51 0.00 0.00 177.10 177.89