#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2z4k s ILE 6 N 0.00 1.42 0.35 8.89 1.01 -1.18 -4.70 121.20 126.99 2z4k s ILE 6 Ca 0.00 -0.66 -0.25 0.00 0.00 0.00 0.00 60.65 59.74 2z4k s ILE 6 Cb 0.00 -1.43 -0.10 0.00 0.01 0.00 0.00 42.46 40.94 2z4k s ILE 6 CO 0.00 0.32 0.95 -0.13 0.00 0.00 0.00 174.94 176.08 2z4k s ARG 7 N 1.53 4.49 -0.56 2.79 0.52 -0.67 -1.62 118.95 125.42 2z4k s ARG 7 Ca 0.03 1.30 0.04 0.00 -0.52 0.00 0.00 55.73 56.57 2z4k s ARG 7 Cb -0.14 -2.66 0.14 0.00 0.52 0.00 0.00 34.95 32.81 2z4k s ARG 7 CO -0.09 0.19 0.32 0.42 0.02 0.00 0.00 175.30 176.16 2z4k s ILE 8 N -1.73 2.53 -0.39 1.52 1.09 -1.08 -0.25 121.20 122.90 2z4k s ILE 8 Ca 0.53 -3.49 -0.28 0.00 -1.10 0.00 0.00 60.65 56.31 2z4k s ILE 8 Cb -0.17 -2.74 -0.02 0.00 -1.06 0.00 0.00 42.46 38.48 2z4k s ILE 8 CO 0.22 -0.86 1.80 -0.13 -0.10 0.00 0.00 174.94 175.87 2z4k s ARG 9 N -0.52 3.18 -0.16 2.79 1.81 -1.14 -4.35 118.95 120.56 2z4k s ARG 9 Ca 0.19 1.24 -0.07 0.00 -1.72 0.00 0.00 55.73 55.38 2z4k s ARG 9 Cb -0.20 -4.23 -0.04 0.00 -0.45 0.00 0.00 34.95 30.03 2z4k s ARG 9 CO -0.04 -2.04 0.06 -0.51 -0.68 0.00 0.00 175.30 172.09 2z4k s LEU 10 N 7.35 3.85 -0.04 2.53 1.43 -0.85 0.63 118.68 133.58 2z4k s LEU 10 Ca 0.77 0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.99 2z4k s LEU 10 Cb -0.20 -1.96 0.03 0.00 0.03 0.00 0.00 46.19 44.09 2z4k s LEU 10 CO 0.31 0.23 0.03 -0.54 0.23 0.00 0.00 176.35 176.61 2z4k s LYS 11 N 0.05 0.10 0.30 1.70 1.02 0.27 -2.02 119.74 121.16 2z4k s LYS 11 Ca 0.06 0.24 0.05 0.00 0.02 0.00 0.00 55.97 56.34 2z4k s LYS 11 Cb -0.12 -0.52 -0.03 0.00 -0.52 0.00 0.00 37.83 36.63 2z4k s LYS 11 CO 0.01 -0.26 0.25 0.00 -0.92 0.00 0.00 175.35 174.43 2z4k s ALA 12 N 1.71 1.68 -0.18 5.17 0.00 -0.06 0.26 121.76 130.34 2z4k s ALA 12 Ca -0.01 -1.98 0.13 0.00 0.00 0.00 0.00 51.96 50.11 2z4k s ALA 12 Cb -0.13 1.45 -0.20 0.00 0.00 0.00 0.00 23.12 24.25 2z4k s ALA 12 CO -0.03 -0.65 0.02 1.19 0.00 0.00 0.00 175.76 176.29 2z4k n PHE 13 N -0.54 0.00 -4.24 0.00 0.99 -1.26 -0.90 117.46 111.51 2z4k n PHE 13 Ca 0.06 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 57.18 2z4k n PHE 13 Cb 0.63 -0.86 -0.16 0.00 -1.00 0.00 0.00 39.48 38.10 2z4k n PHE 13 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 2z4k s ASP 14 N -5.31 3.29 0.49 4.37 1.47 -1.26 -4.47 116.67 115.25 2z4k s ASP 14 Ca -0.12 -0.60 0.30 0.00 1.18 0.00 0.00 52.55 53.31 2z4k s ASP 14 Cb 0.06 -1.51 1.40 0.00 -0.34 0.00 0.00 42.92 42.53 2z4k s ASP 14 CO 0.68 0.02 1.80 1.12 0.68 0.00 0.00 175.17 179.47 2z4k h HIS 15 N 7.78 0.22 -0.16 2.11 2.07 -1.91 -0.22 115.15 125.04 2z4k h HIS 15 Ca -0.42 0.01 0.03 0.00 -2.85 0.00 0.00 60.37 57.14 2z4k h HIS 15 Cb 1.16 -0.06 -0.03 0.00 2.57 0.00 0.00 27.41 31.05 2z4k h HIS 15 CO 0.49 0.02 -0.00 -0.09 -3.07 0.00 0.00 177.93 175.27 2z4k h ARG 16 N 0.13 0.05 0.49 5.12 2.43 -2.00 -1.96 114.38 118.64 2z4k h ARG 16 Ca 0.56 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.71 2z4k h ARG 16 Cb 1.96 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.51 2z4k h ARG 16 CO -0.11 0.03 -0.24 1.25 -1.51 0.00 0.00 179.97 179.40 2z4k h LEU 17 N 0.05 -0.56 -1.34 3.80 6.46 -1.48 -3.12 115.31 119.11 2z4k h LEU 17 Ca 0.08 -0.07 0.33 0.00 -0.12 0.00 0.00 57.88 58.10 2z4k h LEU 17 Cb 0.09 0.14 -0.11 0.00 -0.73 0.00 0.00 40.66 40.05 2z4k h LEU 17 CO -0.13 -0.17 0.73 -0.29 -0.62 0.00 0.00 178.44 177.95 2z4k h ILE 18 N -1.02 0.35 -0.34 4.05 6.09 -1.42 0.11 117.51 125.33 2z4k h ILE 18 Ca -0.07 -0.09 -0.16 0.00 -1.37 0.00 0.00 64.86 63.17 2z4k h ILE 18 Cb 0.59 0.06 -0.00 0.00 0.47 0.00 0.00 36.82 37.94 2z4k h ILE 18 CO 0.11 0.05 -0.41 0.44 -3.07 0.00 0.00 178.15 175.27 2z4k h ASP 19 N 0.27 0.95 -0.49 2.19 3.45 -1.37 -1.54 116.42 119.89 2z4k h ASP 19 Ca 0.69 -0.49 -0.03 0.00 0.43 0.00 0.00 57.03 57.63 2z4k h ASP 19 Cb 1.91 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 40.39 2z4k h ASP 19 CO -0.37 1.25 0.19 1.56 -1.57 0.00 0.00 179.24 180.30 2z4k h GLN 20 N 0.68 0.74 -0.43 3.56 4.20 -0.75 0.84 115.11 123.95 2z4k h GLN 20 Ca 0.05 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 2z4k h GLN 20 Cb 1.01 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 2z4k h GLN 20 CO 0.10 0.66 0.02 0.00 -0.67 0.00 0.00 178.83 178.95 2z4k h ALA 21 N 1.04 0.58 0.62 3.87 0.00 -1.38 -1.40 119.26 122.59 2z4k h ALA 21 Ca 0.16 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2z4k h ALA 21 Cb 0.21 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2z4k h ALA 21 CO -0.01 0.34 -0.30 1.15 0.00 0.00 0.00 179.25 180.43 2z4k h THR 22 N 0.59 0.35 -0.75 0.00 2.02 -1.07 0.06 112.91 114.11 2z4k h THR 22 Ca 0.13 -0.14 0.12 0.00 0.77 0.00 0.00 66.41 67.28 2z4k h THR 22 Cb 0.45 0.40 -0.09 0.00 -1.74 0.00 0.00 68.15 67.18 2z4k h THR 22 CO 0.02 0.02 0.34 0.00 0.37 0.00 0.00 175.52 176.27 2z4k h ALA 23 N -0.60 1.06 -0.39 6.16 0.00 -0.85 -0.84 119.26 123.80 2z4k h ALA 23 Ca -0.08 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2z4k h ALA 23 Cb 0.67 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2z4k h ALA 23 CO 0.14 -0.13 0.14 1.49 0.00 0.00 0.00 179.25 180.89 2z4k h GLU 24 N 0.53 0.59 0.26 0.00 4.81 -1.12 0.34 114.58 119.98 2z4k h GLU 24 Ca 0.40 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.52 2z4k h GLU 24 Cb 0.53 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 2z4k h GLU 24 CO -0.35 0.57 -0.33 0.82 -0.73 0.00 0.00 179.01 179.00 2z4k h ILE 25 N 0.48 0.31 -0.80 2.32 2.04 0.10 -2.45 117.51 119.52 2z4k h ILE 25 Ca 0.13 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.94 2z4k h ILE 25 Cb 0.21 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 2z4k h ILE 25 CO -0.01 0.00 0.31 0.58 0.00 0.00 0.00 178.15 179.03 2z4k h VAL 26 N -0.64 1.26 -0.55 1.67 2.07 -1.12 -1.77 116.25 117.17 2z4k h VAL 26 Ca -0.00 -0.84 0.11 0.00 0.82 0.00 0.00 66.70 66.79 2z4k h VAL 26 Cb 0.61 0.31 -0.10 0.00 -1.52 0.00 0.00 31.29 30.60 2z4k h VAL 26 CO -0.11 0.34 -0.06 -0.08 0.02 0.00 0.00 177.57 177.69 2z4k h GLU 27 N 1.17 0.06 0.06 1.57 4.81 0.03 -1.85 114.58 120.43 2z4k h GLU 27 Ca 0.27 -0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.23 2z4k h GLU 27 Cb 0.23 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.61 2z4k h GLU 27 CO -0.02 0.04 -1.11 1.79 -0.73 0.00 0.00 179.01 178.98 2z4k h THR 28 N 0.07 1.36 -0.86 0.32 1.35 -1.34 -3.31 112.91 110.49 2z4k h THR 28 Ca 0.28 -2.52 0.13 0.00 -0.55 0.00 0.00 66.41 63.75 2z4k h THR 28 Cb 0.43 2.59 -0.07 0.00 -1.73 0.00 0.00 68.15 69.37 2z4k h THR 28 CO -0.51 0.76 0.56 0.00 -0.25 0.00 0.00 175.52 176.08 2z4k h ALA 29 N 0.52 1.81 -0.53 6.62 0.00 -0.64 -2.10 119.26 124.95 2z4k h ALA 29 Ca -0.13 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2z4k h ALA 29 Cb 1.77 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 2z4k h ALA 29 CO 0.20 -0.03 -0.07 0.87 0.00 0.00 0.00 179.25 180.22 2z4k h LYS 30 N 0.71 0.98 -1.05 0.00 1.57 -1.44 -2.99 116.57 114.34 2z4k h LYS 30 Ca 0.42 -0.35 -0.20 0.00 -1.87 0.00 0.00 60.65 58.65 2z4k h LYS 30 Cb 0.64 -0.07 -0.12 0.00 0.08 0.00 0.00 32.23 32.76 2z4k h LYS 30 CO -0.18 1.02 0.25 0.54 -0.57 0.00 0.00 179.45 180.51 2z4k n ARG 31 N -4.21 1.48 -0.71 3.15 1.74 -0.79 -3.57 116.66 113.76 2z4k n ARG 31 Ca 0.01 -1.14 0.00 0.00 -0.77 0.00 0.00 57.85 55.96 2z4k n ARG 31 Cb 0.37 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 2z4k n ARG 31 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2z4k n THR 32 N -0.06 0.00 0.00 0.55 5.66 -1.13 -5.06 114.28 114.23 2z4k n THR 32 Ca 0.23 -0.19 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 2z4k n THR 32 Cb 0.91 0.53 0.00 0.00 -1.55 0.00 0.00 70.33 70.22 2z4k n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2z4k n GLY 33 N 0.09 2.30 2.98 1.09 0.00 -1.23 -4.16 105.19 106.26 2z4k n GLY 33 Ca 0.00 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 2z4k n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2z4k n ALA 34 N 0.00 -4.15 0.18 4.61 0.00 -1.20 -4.92 120.51 115.03 2z4k n ALA 34 Ca 0.00 -0.34 0.09 0.00 0.00 0.00 0.00 53.44 53.19 2z4k n ALA 34 Cb 0.00 -1.22 -0.13 0.00 0.00 0.00 0.00 19.45 18.10 2z4k n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2z4k n GLN 35 N 1.89 0.72 -1.20 0.00 10.64 -1.15 -4.28 117.38 124.00 2z4k n GLN 35 Ca 0.03 -0.13 0.03 0.00 -1.83 0.00 0.00 57.00 55.10 2z4k n GLN 35 Cb 0.49 -1.40 -0.02 0.00 -0.86 0.00 0.00 30.24 28.46 2z4k n GLN 35 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2z4k n VAL 36 N -1.95 -1.93 0.03 -0.39 0.31 -1.25 -4.83 118.33 108.31 2z4k n VAL 36 Ca -0.02 1.05 -0.21 0.00 -0.01 0.00 0.00 64.34 65.15 2z4k n VAL 36 Cb 0.42 -1.72 -0.14 0.00 -0.91 0.00 0.00 33.84 31.49 2z4k n VAL 36 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2z4k h ARG 37 N -0.14 0.28 0.00 5.55 9.65 -1.06 -3.41 114.38 125.25 2z4k h ARG 37 Ca -0.03 -0.48 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 2z4k h ARG 37 Cb 0.83 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.59 2z4k h ARG 37 CO 0.01 1.23 0.00 0.41 2.80 0.00 0.00 179.97 184.42 2z4k n GLY 38 N 1.72 4.72 3.41 2.80 0.00 -1.19 -4.99 105.19 111.66 2z4k n GLY 38 Ca -0.21 -1.17 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 2z4k n GLY 38 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2z4k n PRO 39 N -1.98 1.77 -2.29 1.61 -0.04 -1.26 -3.18 135.00 129.63 2z4k n PRO 39 Ca 0.00 -2.37 -0.41 0.00 -0.04 0.00 0.00 63.50 60.68 2z4k n PRO 39 Cb 0.00 -3.45 -0.03 0.00 -0.04 0.00 0.00 33.50 29.98 2z4k n PRO 39 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2z4k s ILE 40 N 8.31 3.15 -0.09 0.52 1.01 -1.26 -4.85 121.20 127.98 2z4k s ILE 40 Ca 0.63 1.12 -0.20 0.00 0.00 0.00 0.00 60.65 62.19 2z4k s ILE 40 Cb 0.05 -3.71 -0.17 0.00 0.01 0.00 0.00 42.46 38.64 2z4k s ILE 40 CO 0.12 0.25 0.69 1.55 0.00 0.00 0.00 174.94 177.55 2z4k h PRO 41 N 3.91 -0.08 -2.12 2.79 0.13 -1.92 -1.08 132.00 133.63 2z4k h PRO 41 Ca -0.47 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2z4k h PRO 41 Cb 1.22 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2z4k h PRO 41 CO 0.68 0.49 -0.55 1.28 -0.23 0.00 0.00 178.00 179.67 2z4k n LEU 42 N -4.77 -1.06 -4.70 1.56 4.32 -1.26 -4.08 117.00 107.01 2z4k n LEU 42 Ca -0.07 1.64 -0.43 0.00 -0.02 0.00 0.00 56.01 57.13 2z4k n LEU 42 Cb 0.29 -1.34 -0.03 0.00 -1.62 0.00 0.00 43.42 40.73 2z4k n LEU 42 CO 0.24 -0.36 1.44 -0.81 -1.22 0.00 0.00 177.39 176.68 2z4k n PRO 43 N -1.95 2.74 -2.87 3.23 -0.04 -1.26 -4.77 135.00 130.07 2z4k n PRO 43 Ca 0.00 0.99 -0.42 0.00 -0.04 0.00 0.00 63.50 64.03 2z4k n PRO 43 Cb 0.23 -2.87 -0.04 0.00 -0.04 0.00 0.00 33.50 30.78 2z4k n PRO 43 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2z4k s THR 44 N 2.24 4.65 0.12 0.52 2.01 -1.26 -4.89 115.64 119.04 2z4k s THR 44 Ca 0.80 1.07 -0.30 0.00 0.31 0.00 0.00 61.69 63.57 2z4k s THR 44 Cb -0.50 -4.28 -0.07 0.00 0.01 0.00 0.00 72.50 67.66 2z4k s THR 44 CO 0.36 -0.48 1.25 -0.13 -0.69 0.00 0.00 174.62 174.93 2z4k s ARG 45 N 3.30 4.42 -0.34 4.92 1.81 -1.23 -4.88 118.95 126.94 2z4k s ARG 45 Ca 0.35 1.90 0.01 0.00 -1.72 0.00 0.00 55.73 56.27 2z4k s ARG 45 Cb -0.13 -3.28 0.11 0.00 -0.45 0.00 0.00 34.95 31.20 2z4k s ARG 45 CO 0.18 -0.25 0.11 -1.59 -0.68 0.00 0.00 175.30 173.07 2z4k s LYS 46 N 0.57 0.99 -0.08 3.54 -2.85 -1.26 -2.19 119.74 118.45 2z4k s LYS 46 Ca 0.58 -1.43 -0.30 0.00 -1.00 0.00 0.00 55.97 53.82 2z4k s LYS 46 Cb -0.33 -2.33 -0.03 0.00 -2.06 0.00 0.00 37.83 33.09 2z4k s LYS 46 CO 0.32 -1.01 1.22 -1.21 0.10 0.00 0.00 175.35 174.77 2z4k s GLU 47 N 1.22 4.32 0.29 1.78 8.01 -0.70 -4.81 118.70 128.81 2z4k s GLU 47 Ca 0.12 1.67 0.04 0.00 0.01 0.00 0.00 54.97 56.80 2z4k s GLU 47 Cb -0.19 -3.61 -0.03 0.00 -4.31 0.00 0.00 34.13 25.99 2z4k s GLU 47 CO -0.17 -0.51 0.44 1.03 0.01 0.00 0.00 175.26 176.06 2z4k s ARG 48 N 2.55 3.37 -0.18 1.61 0.52 -1.26 0.10 118.95 125.66 2z4k s ARG 48 Ca 0.55 -0.70 -0.04 0.00 -0.52 0.00 0.00 55.73 55.02 2z4k s ARG 48 Cb -0.24 -2.81 0.08 0.00 0.52 0.00 0.00 34.95 32.50 2z4k s ARG 48 CO 0.20 0.26 0.17 -0.06 0.02 0.00 0.00 175.30 175.89 2z4k s PHE 49 N -2.12 -0.09 -0.18 -0.53 0.40 0.34 -4.90 117.98 110.89 2z4k s PHE 49 Ca 0.38 0.06 -0.05 0.00 -0.60 0.00 0.00 56.93 56.71 2z4k s PHE 49 Cb -0.09 -0.48 -0.03 0.00 0.51 0.00 0.00 43.02 42.93 2z4k s PHE 49 CO 0.31 -0.54 0.01 0.99 0.70 0.00 0.00 175.22 176.70 2z4k s THR 50 N 2.25 4.22 -0.17 0.64 2.01 -1.26 0.14 115.64 123.47 2z4k s THR 50 Ca 0.05 -0.23 -0.18 0.00 0.31 0.00 0.00 61.69 61.63 2z4k s THR 50 Cb -0.15 -2.89 0.05 0.00 0.01 0.00 0.00 72.50 69.51 2z4k s THR 50 CO -0.10 0.45 0.51 0.54 -0.69 0.00 0.00 174.62 175.33 2z4k s VAL 51 N 0.64 0.00 0.20 3.82 0.11 0.10 -4.93 120.40 120.35 2z4k s VAL 51 Ca 0.00 -0.03 -0.32 0.00 -2.93 0.00 0.00 61.98 58.70 2z4k s VAL 51 Cb -0.14 -0.73 -0.15 0.00 -1.53 0.00 0.00 36.38 33.83 2z4k s VAL 51 CO 0.02 -0.02 1.19 0.18 -3.33 0.00 0.00 175.10 173.14 2z4k n LEU 52 N 2.58 1.84 -0.10 2.54 4.77 -1.26 0.73 117.00 128.10 2z4k n LEU 52 Ca -0.14 1.15 -0.15 0.00 -0.03 0.00 0.00 56.01 56.83 2z4k n LEU 52 Cb 0.56 -1.26 -0.07 0.00 -2.33 0.00 0.00 43.42 40.33 2z4k n LEU 52 CO 0.11 -1.17 -0.62 0.00 -1.33 0.00 0.00 177.39 174.39 2z4k n ILE 53 N 1.43 1.49 -2.55 -0.08 3.06 -1.26 -4.71 119.36 116.73 2z4k n ILE 53 Ca 0.14 0.03 -0.40 0.00 -2.50 0.00 0.00 62.75 60.02 2z4k n ILE 53 Cb 0.27 -2.18 -0.05 0.00 0.54 0.00 0.00 39.64 38.22 2z4k n ILE 53 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 2z4k s SER 54 N -6.43 7.28 0.21 9.51 0.15 -1.26 -5.00 113.70 118.16 2z4k s SER 54 Ca -0.25 2.16 -0.30 0.00 0.70 0.00 0.00 55.95 58.26 2z4k s SER 54 Cb 0.06 -2.62 -0.08 0.00 -1.71 0.00 0.00 66.02 61.67 2z4k s SER 54 CO 0.42 -0.13 0.94 -2.16 1.20 0.00 0.00 173.24 173.52 2z4k s PRO 55 N -1.56 4.82 0.30 5.44 0.04 -1.26 -4.77 135.00 138.01 2z4k s PRO 55 Ca 0.46 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2z4k s PRO 55 Cb -0.29 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 30.95 2z4k s PRO 55 CO 0.37 0.45 0.00 1.58 0.04 0.00 0.00 177.00 179.44 2z4k n HIS 56 N 1.79 -3.91 -1.25 0.56 -0.00 -1.26 -4.91 115.22 106.25 2z4k n HIS 56 Ca -0.01 2.06 0.00 0.00 -0.00 0.00 0.00 57.72 59.77 2z4k n HIS 56 Cb 0.48 -3.28 0.00 0.00 -0.00 0.00 0.00 29.99 27.18 2z4k n HIS 56 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 2z4k n VAL 57 N 0.42 0.00 -3.05 3.57 3.14 -1.26 -4.94 118.33 116.21 2z4k n VAL 57 Ca 0.00 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.33 2z4k n VAL 57 Cb 0.00 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 32.80 2z4k n VAL 57 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2z4k n ASN 58 N -3.75 -7.16 0.20 6.55 3.02 -1.26 -4.86 115.26 107.99 2z4k n ASN 58 Ca 0.00 -0.27 0.08 0.00 -0.03 0.00 0.00 54.58 54.36 2z4k n ASN 58 Cb 0.00 -5.07 0.24 0.00 -0.61 0.00 0.00 39.78 34.34 2z4k n ASN 58 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2z4k h LYS 59 N -0.06 0.00 -0.34 3.52 2.10 -1.95 -3.12 116.57 116.73 2z4k h LYS 59 Ca -0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 2z4k h LYS 59 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 2z4k h LYS 59 CO 0.33 0.24 0.00 -0.25 -2.00 0.00 0.00 179.45 177.77 2z4k n ASP 60 N -3.22 0.90 0.00 7.07 8.00 -1.26 -4.29 116.55 123.75 2z4k n ASP 60 Ca 0.02 -2.04 0.00 0.00 0.71 0.00 0.00 54.79 53.48 2z4k n ASP 60 Cb 0.56 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 2z4k n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2z4k n ALA 61 N -0.10 0.00 -1.27 2.24 0.00 -1.18 -5.08 120.51 115.11 2z4k n ALA 61 Ca 0.04 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.65 2z4k n ALA 61 Cb 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.58 2z4k n ALA 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2z4k n ARG 62 N -0.68 -2.57 -3.63 0.00 5.12 -1.26 -4.81 116.66 108.84 2z4k n ARG 62 Ca 0.00 1.72 -0.12 0.00 -1.93 0.00 0.00 57.85 57.53 2z4k n ARG 62 Cb 0.00 -3.13 -0.07 0.00 -1.16 0.00 0.00 32.46 28.10 2z4k n ARG 62 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2z4k s ASP 63 N -6.40 -0.58 -0.12 0.55 2.15 0.22 -4.09 116.67 108.40 2z4k s ASP 63 Ca 0.00 1.09 0.01 0.00 0.43 0.00 0.00 52.55 54.08 2z4k s ASP 63 Cb 0.00 1.09 -0.01 0.00 -0.30 0.00 0.00 42.92 43.70 2z4k s ASP 63 CO 0.00 -0.22 -0.16 -1.10 -0.17 0.00 0.00 175.17 173.52 2z4k s GLN 64 N 0.16 3.31 0.41 4.34 -0.21 -1.26 0.01 119.66 126.43 2z4k s GLN 64 Ca 0.01 -0.73 0.05 0.00 0.02 0.00 0.00 55.36 54.71 2z4k s GLN 64 Cb -0.05 -2.56 -0.06 0.00 1.00 0.00 0.00 33.01 31.35 2z4k s GLN 64 CO -0.02 0.20 0.03 0.71 -2.12 0.00 0.00 175.29 174.09 2z4k s TYR 65 N 0.35 2.21 -0.07 0.91 4.12 0.37 -4.94 117.35 120.30 2z4k s TYR 65 Ca -0.13 -0.83 -0.29 0.00 0.02 0.00 0.00 57.07 55.84 2z4k s TYR 65 Cb -0.16 -1.60 0.07 0.00 -1.52 0.00 0.00 41.96 38.75 2z4k s TYR 65 CO 0.06 0.26 0.66 -1.83 0.02 0.00 0.00 175.55 174.72 2z4k s GLU 66 N -3.78 1.01 -0.29 -0.62 -1.05 -1.26 0.13 118.70 112.83 2z4k s GLU 66 Ca 0.28 0.33 -0.02 0.00 -0.15 0.00 0.00 54.97 55.41 2z4k s GLU 66 Cb 0.07 0.48 0.05 0.00 -0.44 0.00 0.00 34.13 34.29 2z4k s GLU 66 CO 0.14 -0.29 -0.02 0.42 0.95 0.00 0.00 175.26 176.46 2z4k s ILE 67 N -1.00 2.93 -0.48 1.83 1.01 0.28 -4.98 121.20 120.80 2z4k s ILE 67 Ca -0.10 -1.33 -0.17 0.00 0.00 0.00 0.00 60.65 59.04 2z4k s ILE 67 Cb -0.01 -2.65 0.05 0.00 0.01 0.00 0.00 42.46 39.86 2z4k s ILE 67 CO 0.09 -0.05 0.51 -0.13 0.00 0.00 0.00 174.94 175.35 2z4k s ARG 68 N 1.26 3.07 -0.45 2.79 0.52 -1.26 -1.72 118.95 123.15 2z4k s ARG 68 Ca -0.05 -1.01 -0.14 0.00 -0.52 0.00 0.00 55.73 54.01 2z4k s ARG 68 Cb -0.19 -4.08 0.07 0.00 0.52 0.00 0.00 34.95 31.26 2z4k s ARG 68 CO -0.02 -1.07 0.35 0.99 0.02 0.00 0.00 175.30 175.58 2z4k s THR 69 N 2.19 5.05 0.29 0.02 2.01 -0.93 -4.45 115.64 119.82 2z4k s THR 69 Ca 0.11 -1.06 -0.19 0.00 0.31 0.00 0.00 61.69 60.86 2z4k s THR 69 Cb -0.20 -3.99 -0.09 0.00 0.01 0.00 0.00 72.50 68.23 2z4k s THR 69 CO 0.11 -0.52 0.78 -1.00 -0.69 0.00 0.00 174.62 173.29 2z4k s HIS 70 N 1.61 3.51 0.16 4.92 0.09 -0.08 -3.58 115.29 121.92 2z4k s HIS 70 Ca 0.04 1.38 0.00 0.00 -0.00 0.00 0.00 55.06 56.48 2z4k s HIS 70 Cb -0.23 -2.64 -0.04 0.00 -0.00 0.00 0.00 32.58 29.66 2z4k s HIS 70 CO 0.06 0.18 0.05 -0.48 -0.00 0.00 0.00 174.74 174.55 2z4k s LEU 71 N -2.51 1.84 0.03 0.89 2.34 -1.26 -0.88 118.68 119.13 2z4k s LEU 71 Ca 0.50 -1.22 -0.03 0.00 0.06 0.00 0.00 54.13 53.43 2z4k s LEU 71 Cb -0.13 0.16 -0.02 0.00 -0.56 0.00 0.00 46.19 45.64 2z4k s LEU 71 CO 0.19 -0.68 0.04 -0.13 -1.06 0.00 0.00 176.35 174.71 2z4k s ARG 72 N -4.01 0.52 -0.20 1.48 1.81 -0.86 -4.57 118.95 113.12 2z4k s ARG 72 Ca 0.26 -0.80 -0.16 0.00 -1.72 0.00 0.00 55.73 53.32 2z4k s ARG 72 Cb 0.07 0.20 -0.08 0.00 -0.45 0.00 0.00 34.95 34.69 2z4k s ARG 72 CO 0.04 -0.12 -0.27 -0.11 -0.68 0.00 0.00 175.30 174.17 2z4k n LEU 73 N 0.86 1.91 0.00 2.53 -0.00 -0.41 -2.00 117.00 119.89 2z4k n LEU 73 Ca -0.19 0.40 0.00 0.00 -0.00 0.00 0.00 56.01 56.22 2z4k n LEU 73 Cb 0.58 -0.80 0.00 0.00 -0.00 0.00 0.00 43.42 43.20 2z4k n LEU 73 CO 0.23 -0.06 0.00 0.52 -0.00 0.00 0.00 177.39 178.08 2z4k n VAL 74 N -4.44 0.00 -2.52 1.96 0.31 -1.19 -2.62 118.33 109.83 2z4k n VAL 74 Ca -0.24 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.06 2z4k n VAL 74 Cb 0.57 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.48 2z4k n VAL 74 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2z4k n ASP 75 N 6.22 -4.11 -4.69 4.52 4.64 -1.26 -3.15 116.55 118.72 2z4k n ASP 75 Ca 0.00 1.52 -0.39 0.00 -1.38 0.00 0.00 54.79 54.54 2z4k n ASP 75 Cb 0.00 -4.95 -0.05 0.00 -1.04 0.00 0.00 41.12 35.08 2z4k n ASP 75 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 2z4k s ILE 76 N -0.58 5.07 0.46 5.18 -5.25 -0.64 -0.84 121.20 124.59 2z4k s ILE 76 Ca -0.16 1.22 -0.09 0.00 -0.99 0.00 0.00 60.65 60.63 2z4k s ILE 76 Cb 0.01 -3.95 -0.05 0.00 2.95 0.00 0.00 42.46 41.42 2z4k s ILE 76 CO 0.43 0.20 0.82 -0.69 -1.79 0.00 0.00 174.94 173.91 2z4k s VAL 77 N 1.26 4.80 -0.52 8.37 1.01 -1.26 0.16 120.40 134.22 2z4k s VAL 77 Ca 0.31 0.54 -0.22 0.00 0.00 0.00 0.00 61.98 62.61 2z4k s VAL 77 Cb -0.16 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.46 2z4k s VAL 77 CO 0.13 -0.71 0.64 -0.62 0.00 0.00 0.00 175.10 174.54 2z4k n GLU 78 N -1.80 -2.00 -1.23 2.72 4.71 -1.26 -2.93 120.64 118.86 2z4k n GLU 78 Ca 0.02 1.63 -0.33 0.00 -0.01 0.00 0.00 57.16 58.47 2z4k n GLU 78 Cb 0.54 -3.86 0.11 0.00 -1.01 0.00 0.00 31.44 27.23 2z4k n GLU 78 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2z4k s PRO 79 N -2.86 1.87 0.02 3.49 0.04 -1.26 -3.26 135.00 133.04 2z4k s PRO 79 Ca 0.25 1.64 0.02 0.00 0.04 0.00 0.00 61.00 62.95 2z4k s PRO 79 Cb -0.04 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.67 2z4k s PRO 79 CO 0.83 -2.02 -0.08 0.99 0.04 0.00 0.00 177.00 176.76 2z4k s THR 80 N -2.26 0.58 0.24 1.26 2.01 -1.26 -4.84 115.64 111.36 2z4k s THR 80 Ca 0.71 -0.71 -0.06 0.00 0.31 0.00 0.00 61.69 61.94 2z4k s THR 80 Cb -0.26 -0.56 0.22 0.00 0.01 0.00 0.00 72.50 71.91 2z4k s THR 80 CO 0.50 -0.11 1.69 -0.08 -0.69 0.00 0.00 174.62 175.93 2z4k h GLU 81 N 5.20 0.28 -0.03 4.92 4.22 -1.96 -1.27 114.58 125.95 2z4k h GLU 81 Ca -0.33 -0.02 -0.24 0.00 0.08 0.00 0.00 59.36 58.86 2z4k h GLU 81 Cb 1.19 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.39 2z4k h GLU 81 CO 0.45 0.19 -0.94 1.57 -2.18 0.00 0.00 179.01 178.10 2z4k h LYS 82 N 0.29 0.55 -0.85 1.92 2.10 -1.96 -3.31 116.57 115.31 2z4k h LYS 82 Ca 0.40 -0.56 0.19 0.00 -2.00 0.00 0.00 60.65 58.68 2z4k h LYS 82 Cb 0.66 0.15 -0.11 0.00 -0.90 0.00 0.00 32.23 32.02 2z4k h LYS 82 CO -0.48 1.19 0.35 1.15 -2.00 0.00 0.00 179.45 179.66 2z4k h THR 83 N 0.33 0.53 0.38 0.07 2.02 -1.40 0.69 112.91 115.53 2z4k h THR 83 Ca -0.09 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 2z4k h THR 83 Cb 1.57 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2z4k h THR 83 CO 0.17 0.07 -0.30 0.58 0.37 0.00 0.00 175.52 176.42 2z4k h VAL 84 N 0.41 0.00 0.00 3.16 2.07 -1.56 -1.67 116.25 118.66 2z4k h VAL 84 Ca 0.51 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.03 2z4k h VAL 84 Cb 0.90 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2z4k h VAL 84 CO -0.49 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 176.20 2z4k n ASP 85 N -4.21 0.00 -0.02 0.57 5.75 -1.06 -2.52 116.55 115.05 2z4k n ASP 85 Ca -0.08 -0.55 0.15 0.00 -0.01 0.00 0.00 54.79 54.30 2z4k n ASP 85 Cb 0.29 0.00 0.73 0.00 -1.03 0.00 0.00 41.12 41.11 2z4k n ASP 85 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2z4k n ALA 86 N -0.98 2.56 -0.01 2.12 0.00 0.21 -3.28 120.51 121.14 2z4k n ALA 86 Ca 0.12 -0.17 0.07 0.00 0.00 0.00 0.00 53.44 53.46 2z4k n ALA 86 Cb 0.06 -1.46 -0.11 0.00 0.00 0.00 0.00 19.45 17.94 2z4k n ALA 86 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2z4k n LEU 87 N -1.20 0.00 0.24 0.00 7.99 -1.05 -4.30 117.00 118.68 2z4k n LEU 87 Ca 0.15 0.00 0.12 0.00 -0.01 0.00 0.00 56.01 56.26 2z4k n LEU 87 Cb 0.24 0.01 0.61 0.00 -0.11 0.00 0.00 43.42 44.18 2z4k n LEU 87 CO 0.23 0.01 0.90 0.24 -1.51 0.00 0.00 177.39 177.26 2z4k h MET 88 N 0.00 0.00 -0.00 3.23 2.86 -1.71 -0.85 114.93 118.45 2z4k h MET 88 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2z4k h MET 88 Cb 0.71 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.37 2z4k h MET 88 CO 0.00 0.17 -0.26 0.54 1.06 0.00 0.00 176.91 178.42 2z4k n ARG 89 N -3.51 0.47 -3.41 1.72 3.00 -1.25 -4.57 116.66 109.10 2z4k n ARG 89 Ca -0.01 -0.22 -0.23 0.00 -0.01 0.00 0.00 57.85 57.37 2z4k n ARG 89 Cb 0.33 -1.50 -0.10 0.00 0.00 0.00 0.00 32.46 31.19 2z4k n ARG 89 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2z4k s LEU 90 N -2.69 0.47 -0.33 0.55 0.20 -0.33 -5.07 118.68 111.49 2z4k s LEU 90 Ca 0.21 -1.89 0.06 0.00 0.69 0.00 0.00 54.13 53.20 2z4k s LEU 90 Cb 0.19 0.06 0.19 0.00 -0.43 0.00 0.00 46.19 46.20 2z4k s LEU 90 CO 0.56 -0.29 0.63 1.51 -0.29 0.00 0.00 176.35 178.47 2z4k s ASP 91 N 1.25 -1.53 0.00 3.68 3.84 -1.23 -4.77 116.67 117.92 2z4k s ASP 91 Ca 0.17 -0.13 0.00 0.00 -0.00 0.00 0.00 52.55 52.60 2z4k s ASP 91 Cb -0.19 1.95 0.00 0.00 -1.38 0.00 0.00 42.92 43.30 2z4k s ASP 91 CO -0.01 -0.24 0.00 0.00 -0.00 0.00 0.00 175.17 174.91 2z4k n LEU 92 N 5.06 0.00 -2.35 2.11 -0.00 -1.26 -5.09 117.00 115.48 2z4k n LEU 92 Ca 0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 56.05 2z4k n LEU 92 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.95 2z4k n LEU 92 CO -0.04 0.00 -0.45 0.00 -0.00 0.00 0.00 177.39 176.89 2z4k n ALA 93 N -3.00 -3.48 0.48 1.47 0.00 -1.26 -4.81 120.51 109.91 2z4k n ALA 93 Ca 0.00 1.26 0.09 0.00 0.00 0.00 0.00 53.44 54.80 2z4k n ALA 93 Cb 0.00 -2.47 0.40 0.00 0.00 0.00 0.00 19.45 17.38 2z4k n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2z4k n ALA 94 N 0.98 1.71 0.19 0.00 0.00 -1.26 -2.64 120.51 119.49 2z4k n ALA 94 Ca -0.19 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.35 2z4k n ALA 94 Cb 0.30 -1.32 0.12 0.00 0.00 0.00 0.00 19.45 18.56 2z4k n ALA 94 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2z4k h GLY 95 N 2.57 0.00 -1.70 0.00 0.00 -1.98 -3.46 103.07 98.50 2z4k h GLY 95 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 2z4k h GLY 95 CO 0.00 0.00 -0.09 -1.34 0.00 0.00 0.00 176.54 175.11 2z4k s VAL 96 N -3.19 2.04 -0.08 4.60 -7.23 -1.08 -4.11 120.40 111.34 2z4k s VAL 96 Ca 0.05 -1.02 -0.15 0.00 -1.81 0.00 0.00 61.98 59.06 2z4k s VAL 96 Cb 0.06 -2.05 0.03 0.00 0.56 0.00 0.00 36.38 34.98 2z4k s VAL 96 CO 0.70 0.00 0.37 -0.62 -0.31 0.00 0.00 175.10 175.24 2z4k s ASP 97 N -4.69 -0.33 0.06 4.85 -1.08 0.14 -4.93 116.67 110.70 2z4k s ASP 97 Ca 0.62 0.48 0.07 0.00 -0.52 0.00 0.00 52.55 53.20 2z4k s ASP 97 Cb -0.05 0.57 -0.03 0.00 -1.46 0.00 0.00 42.92 41.95 2z4k s ASP 97 CO 0.39 -0.29 -0.20 0.68 0.52 0.00 0.00 175.17 176.27 2z4k s VAL 98 N -0.52 1.61 -0.39 1.11 -7.23 -1.25 -0.57 120.40 113.15 2z4k s VAL 98 Ca -0.06 -1.30 0.10 0.00 -1.81 0.00 0.00 61.98 58.91 2z4k s VAL 98 Cb -0.04 -1.43 0.34 0.00 0.56 0.00 0.00 36.38 35.81 2z4k s VAL 98 CO 0.03 0.09 0.82 1.67 -0.31 0.00 0.00 175.10 177.39 2z4k n GLN 99 N 1.59 0.97 -1.72 4.82 7.27 0.21 -4.95 117.38 125.56 2z4k n GLN 99 Ca -0.18 -3.01 -0.42 0.00 0.07 0.00 0.00 57.00 53.46 2z4k n GLN 99 Cb 0.54 -1.52 -0.03 0.00 2.41 0.00 0.00 30.24 31.63 2z4k n GLN 99 CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 2z4k s ILE 100 N -1.69 3.13 0.00 1.69 -4.36 -1.26 -2.90 121.20 115.80 2z4k s ILE 100 Ca 0.35 0.15 0.00 0.00 -0.26 0.00 0.00 60.65 60.89 2z4k s ILE 100 Cb 0.33 -3.12 0.00 0.00 1.25 0.00 0.00 42.46 40.91 2z4k s ILE 100 CO -0.08 -0.05 0.00 -1.20 0.24 0.00 0.00 174.94 173.86 2z4k n SER 101 N 9.08 1.64 -0.75 4.36 7.64 0.66 -4.95 113.62 131.30 2z4k n SER 101 Ca 0.23 -0.74 0.13 0.00 1.01 0.00 0.00 58.87 59.50 2z4k n SER 101 Cb 0.43 0.00 0.28 0.00 -1.01 0.00 0.00 64.21 63.91 2z4k n SER 101 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21