#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d3k s PHE 5 N 0.00 3.33 -0.49 1.12 0.08 -1.26 -4.91 117.98 115.85 2d3k s PHE 5 Ca 0.00 -1.59 0.23 0.00 0.12 0.00 0.00 56.93 55.70 2d3k s PHE 5 Cb 0.00 -2.64 0.09 0.00 -0.57 0.00 0.00 43.02 39.89 2d3k s PHE 5 CO 0.00 -0.80 1.07 1.63 -0.10 0.00 0.00 175.22 177.02 2d3k n LYS 6 N 4.82 0.39 -4.38 0.44 5.02 -1.26 -4.90 118.16 118.30 2d3k n LYS 6 Ca -0.10 0.04 -0.23 0.00 -2.02 0.00 0.00 58.31 55.99 2d3k n LYS 6 Cb 0.44 -1.67 -0.11 0.00 -0.02 0.00 0.00 35.03 33.66 2d3k n LYS 6 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2d3k s TYR 7 N -3.25 2.01 0.04 2.13 2.02 -1.26 -1.33 117.35 117.71 2d3k s TYR 7 Ca 0.03 -0.43 -0.28 0.00 -0.37 0.00 0.00 57.07 56.02 2d3k s TYR 7 Cb 0.13 -0.98 0.09 0.00 -0.40 0.00 0.00 41.96 40.80 2d3k s TYR 7 CO 0.78 0.43 0.90 -1.59 -1.57 0.00 0.00 175.55 174.51 2d3k s LYS 8 N -2.92 0.93 -0.09 -0.62 -2.85 -0.93 -4.53 119.74 108.73 2d3k s LYS 8 Ca 0.20 -0.40 0.03 0.00 -1.00 0.00 0.00 55.97 54.79 2d3k s LYS 8 Cb -0.06 0.39 0.01 0.00 -2.06 0.00 0.00 37.83 36.11 2d3k s LYS 8 CO 0.09 -0.41 -0.16 -1.14 0.10 0.00 0.00 175.35 173.82 2d3k s GLN 9 N -3.18 2.20 -0.17 1.78 0.74 -0.21 -2.76 119.66 118.06 2d3k s GLN 9 Ca 0.07 -0.58 -0.02 0.00 0.05 0.00 0.00 55.36 54.88 2d3k s GLN 9 Cb -0.01 -1.78 -0.01 0.00 1.10 0.00 0.00 33.01 32.31 2d3k s GLN 9 CO -0.06 0.04 -0.09 0.08 -0.55 0.00 0.00 175.29 174.71 2d3k s VAL 10 N 0.67 3.24 -0.25 1.34 1.01 0.28 -1.24 120.40 125.44 2d3k s VAL 10 Ca -0.13 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 2d3k s VAL 10 Cb -0.16 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 2d3k s VAL 10 CO 0.04 0.48 0.04 -0.63 0.00 0.00 0.00 175.10 175.03 2d3k s ILE 11 N 0.81 4.02 -0.28 2.22 1.09 0.16 0.07 121.20 129.29 2d3k s ILE 11 Ca -0.03 -0.34 -0.16 0.00 -1.10 0.00 0.00 60.65 59.02 2d3k s ILE 11 Cb -0.15 -2.90 -0.03 0.00 -1.06 0.00 0.00 42.46 38.32 2d3k s ILE 11 CO 0.01 0.31 0.42 -0.69 -0.10 0.00 0.00 174.94 174.89 2d3k s VAL 12 N 1.56 5.14 0.04 2.92 1.01 0.86 -1.34 120.40 130.58 2d3k s VAL 12 Ca 0.06 0.59 0.05 0.00 0.00 0.00 0.00 61.98 62.68 2d3k s VAL 12 Cb -0.15 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2d3k s VAL 12 CO 0.02 0.10 -0.11 0.00 0.00 0.00 0.00 175.10 175.11 2d3k s ALA 13 N 2.15 2.88 -0.51 5.51 0.00 -0.36 -0.68 121.76 130.75 2d3k s ALA 13 Ca 0.16 -1.12 -0.28 0.00 0.00 0.00 0.00 51.96 50.73 2d3k s ALA 13 Cb -0.16 -0.97 0.03 0.00 0.00 0.00 0.00 23.12 22.02 2d3k s ALA 13 CO 0.10 0.61 1.11 1.03 0.00 0.00 0.00 175.76 178.61 2d3k s ARG 14 N -1.59 3.60 0.46 0.00 0.52 -0.87 -2.03 118.95 119.03 2d3k s ARG 14 Ca 0.17 0.34 0.29 0.00 -0.52 0.00 0.00 55.73 56.01 2d3k s ARG 14 Cb -0.11 -3.96 0.95 0.00 0.52 0.00 0.00 34.95 32.35 2d3k s ARG 14 CO 0.08 -1.46 1.82 0.00 0.02 0.00 0.00 175.30 175.76 2d3k h ALA 15 N 9.32 1.00 0.00 2.13 0.00 -1.64 -3.05 119.26 127.01 2d3k h ALA 15 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2d3k h ALA 15 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2d3k h ALA 15 CO 1.13 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.98 2d3k n ASP 16 N -2.94 0.63 0.13 0.00 5.75 -1.26 -2.36 116.55 116.50 2d3k n ASP 16 Ca 0.02 0.64 0.13 0.00 -0.01 0.00 0.00 54.79 55.56 2d3k n ASP 16 Cb 0.38 -0.78 0.28 0.00 -1.03 0.00 0.00 41.12 39.98 2d3k n ASP 16 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2d3k h LEU 17 N 0.00 0.00 -1.14 -2.12 3.38 -1.90 -3.48 115.31 110.05 2d3k h LEU 17 Ca 0.00 -0.03 -0.46 0.00 0.09 0.00 0.00 57.88 57.48 2d3k h LEU 17 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2d3k h LEU 17 CO 0.00 0.02 -0.77 0.29 0.09 0.00 0.00 178.44 178.07 2d3k n LYS 18 N -2.49 -5.62 -2.00 1.13 5.02 -0.99 -4.93 118.16 108.28 2d3k n LYS 18 Ca 0.04 0.62 -0.37 0.00 -2.02 0.00 0.00 58.31 56.59 2d3k n LYS 18 Cb 0.47 -5.46 0.02 0.00 -0.02 0.00 0.00 35.03 30.04 2d3k n LYS 18 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2d3k s LEU 19 N -7.16 3.84 1.00 -0.35 1.43 -1.26 -4.99 118.68 111.19 2d3k s LEU 19 Ca 0.52 2.51 -0.12 0.00 -1.03 0.00 0.00 54.13 56.01 2d3k s LEU 19 Cb -0.26 -4.37 0.19 0.00 0.03 0.00 0.00 46.19 41.78 2d3k s LEU 19 CO 0.82 -1.39 1.08 -0.94 0.23 0.00 0.00 176.35 176.15 2d3k s SER 20 N -1.28 2.42 0.24 2.29 1.04 -1.26 -4.69 113.70 112.46 2d3k s SER 20 Ca 0.71 1.54 -0.06 0.00 0.48 0.00 0.00 55.95 58.63 2d3k s SER 20 Cb -0.34 -2.21 0.30 0.00 0.10 0.00 0.00 66.02 63.87 2d3k s SER 20 CO 0.39 -3.31 1.88 0.50 0.98 0.00 0.00 173.24 173.69 2d3k h LYS 21 N -2.01 1.09 -0.26 4.02 3.64 -1.99 -0.31 116.57 120.74 2d3k h LYS 21 Ca -0.53 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 58.63 2d3k h LYS 21 Cb 1.31 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2d3k h LYS 21 CO 0.52 0.72 -0.42 0.78 -2.27 0.00 0.00 179.45 178.78 2d3k h GLY 22 N 1.13 0.82 1.57 5.01 0.00 -2.00 -2.42 103.07 107.18 2d3k h GLY 22 Ca 0.37 -0.93 -0.16 0.00 0.00 0.00 0.00 47.33 46.61 2d3k h GLY 22 CO -0.13 0.84 -0.58 0.50 0.00 0.00 0.00 176.54 177.17 2d3k h LYS 23 N 0.49 0.45 0.11 4.80 1.57 -1.86 -2.16 116.57 119.98 2d3k h LYS 23 Ca 0.02 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.52 2d3k h LYS 23 Cb 1.02 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 2d3k h LYS 23 CO 0.10 0.90 -0.16 1.25 -0.57 0.00 0.00 179.45 180.96 2d3k h LEU 24 N 0.34 -0.45 -0.73 2.94 5.85 -1.06 -0.55 115.31 121.66 2d3k h LEU 24 Ca 0.00 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.87 2d3k h LEU 24 Cb 1.11 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 42.23 2d3k h LEU 24 CO 0.10 -0.24 0.37 0.00 -0.34 0.00 0.00 178.44 178.33 2d3k h ALA 25 N 0.51 1.01 -0.26 1.25 0.00 -1.36 0.92 119.26 121.34 2d3k h ALA 25 Ca 0.02 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2d3k h ALA 25 Cb 0.34 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2d3k h ALA 25 CO -0.08 -0.04 0.15 0.00 0.00 0.00 0.00 179.25 179.28 2d3k h ALA 26 N 1.44 0.33 -0.33 0.00 0.00 -0.88 -0.44 119.26 119.38 2d3k h ALA 26 Ca 0.36 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 2d3k h ALA 26 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2d3k h ALA 26 CO -0.27 -0.15 0.11 1.96 0.00 0.00 0.00 179.25 180.90 2d3k h GLN 27 N 0.32 0.51 -0.98 0.00 1.08 -0.47 -1.16 115.11 114.41 2d3k h GLN 27 Ca 0.09 -0.11 0.06 0.00 -1.45 0.00 0.00 58.65 57.25 2d3k h GLN 27 Cb 0.05 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.34 2d3k h GLN 27 CO -0.02 0.54 0.63 0.28 -0.95 0.00 0.00 178.83 179.32 2d3k h VAL 28 N 0.38 1.09 -0.45 -0.54 2.07 -0.70 -1.44 116.25 116.66 2d3k h VAL 28 Ca 0.11 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 2d3k h VAL 28 Cb 0.24 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 2d3k h VAL 28 CO -0.00 0.21 0.15 0.00 0.02 0.00 0.00 177.57 177.94 2d3k h ALA 29 N 1.47 0.59 -0.48 1.67 0.00 -0.69 -0.39 119.26 121.43 2d3k h ALA 29 Ca 0.42 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.23 2d3k h ALA 29 Cb 0.15 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 2d3k h ALA 29 CO -0.16 0.23 0.13 0.45 0.00 0.00 0.00 179.25 179.90 2d3k h HIS 30 N 0.59 0.22 -0.22 0.00 -0.00 -0.21 0.26 115.15 115.78 2d3k h HIS 30 Ca 0.15 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.53 2d3k h HIS 30 Cb 0.25 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.63 2d3k h HIS 30 CO 0.01 0.04 0.09 0.78 -0.00 0.00 0.00 177.93 178.85 2d3k h GLY 31 N 0.28 0.36 0.96 2.45 0.00 -1.07 -1.49 103.07 104.56 2d3k h GLY 31 Ca 0.24 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.39 2d3k h GLY 31 CO -0.28 0.18 0.30 0.00 0.00 0.00 0.00 176.54 176.73 2d3k h ALA 32 N 0.94 0.59 0.01 3.60 0.00 -0.58 -0.19 119.26 123.63 2d3k h ALA 32 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2d3k h ALA 32 Cb 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2d3k h ALA 32 CO -0.01 0.01 -0.00 0.28 0.00 0.00 0.00 179.25 179.53 2d3k h VAL 33 N 0.60 1.22 -0.67 0.00 2.07 -0.92 0.53 116.25 119.08 2d3k h VAL 33 Ca 0.18 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2d3k h VAL 33 Cb -0.04 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2d3k h VAL 33 CO -0.05 0.18 0.44 0.74 0.02 0.00 0.00 177.57 178.89 2d3k h THR 34 N -0.30 1.18 -0.06 2.57 2.02 -1.18 -1.59 112.91 115.55 2d3k h THR 34 Ca -0.00 -0.34 -0.14 0.00 0.77 0.00 0.00 66.41 66.70 2d3k h THR 34 Cb 0.30 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2d3k h THR 34 CO 0.00 0.17 -0.58 0.00 0.37 0.00 0.00 175.52 175.49 2d3k h ALA 35 N 1.24 0.93 -0.51 6.16 0.00 -1.00 -2.28 119.26 123.79 2d3k h ALA 35 Ca 0.24 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 2d3k h ALA 35 Cb -0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2d3k h ALA 35 CO -0.05 0.71 -0.08 0.00 0.00 0.00 0.00 179.25 179.83 2d3k h ALA 36 N 1.27 0.89 0.00 0.00 0.00 -0.45 -1.82 119.26 119.16 2d3k h ALA 36 Ca -0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 2d3k h ALA 36 Cb 1.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2d3k h ALA 36 CO 0.09 0.64 -0.41 0.74 0.00 0.00 0.00 179.25 180.30 2d3k h PHE 37 N 0.84 0.00 -0.35 0.00 0.04 -1.16 0.14 116.94 116.44 2d3k h PHE 37 Ca 0.14 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.79 2d3k h PHE 37 Cb 0.61 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 2d3k h PHE 37 CO 0.04 0.41 -0.24 0.93 -0.60 0.00 0.00 178.31 178.85 2d3k h GLU 38 N 0.00 0.78 -0.27 1.51 4.39 -1.08 -2.00 114.58 117.91 2d3k h GLU 38 Ca -0.00 -0.37 -0.04 0.00 0.34 0.00 0.00 59.36 59.28 2d3k h GLU 38 Cb 0.97 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 2d3k h GLU 38 CO 0.05 1.00 -0.00 0.00 -1.16 0.00 0.00 179.01 178.90 2d3k h ALA 39 N 0.77 0.36 -0.69 3.43 0.00 -1.09 0.15 119.26 122.19 2d3k h ALA 39 Ca 0.07 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.87 2d3k h ALA 39 Cb 0.80 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 2d3k h ALA 39 CO 0.07 0.10 0.25 -0.92 0.00 0.00 0.00 179.25 178.75 2d3k h TYR 40 N 0.25 0.43 0.23 0.00 3.20 -0.86 0.79 116.97 121.01 2d3k h TYR 40 Ca 0.07 0.03 -0.31 0.00 3.14 0.00 0.00 58.73 61.67 2d3k h TYR 40 Cb 0.43 -0.09 0.03 0.00 1.54 0.00 0.00 36.73 38.64 2d3k h TYR 40 CO 0.04 0.07 -1.38 0.87 -1.64 0.00 0.00 178.16 176.11 2d3k h LYS 41 N 0.41 0.48 0.00 1.82 1.57 -1.22 -3.30 116.57 116.33 2d3k h LYS 41 Ca 0.36 -0.82 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2d3k h LYS 41 Cb 0.51 0.31 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2d3k h LYS 41 CO -0.37 1.39 -1.61 1.63 -0.57 0.00 0.00 179.45 179.92 2d3k n LYS 42 N -3.79 0.59 -2.97 3.15 5.02 0.51 -4.65 118.16 116.02 2d3k n LYS 42 Ca -0.17 -0.13 -0.14 0.00 -2.02 0.00 0.00 58.31 55.85 2d3k n LYS 42 Cb 1.05 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 34.61 2d3k n LYS 42 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2d3k n LYS 43 N -1.97 1.02 -0.29 1.97 4.76 0.26 -4.99 118.16 118.92 2d3k n LYS 43 Ca -0.01 -2.86 0.12 0.00 -2.87 0.00 0.00 58.31 52.68 2d3k n LYS 43 Cb 0.46 -1.37 0.28 0.00 -1.84 0.00 0.00 35.03 32.56 2d3k n LYS 43 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 2d3k h ARG 44 N 2.94 0.28 -0.79 1.97 9.65 -1.37 0.13 114.38 127.20 2d3k h ARG 44 Ca -0.00 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2d3k h ARG 44 Cb 1.05 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.53 2d3k h ARG 44 CO 0.36 0.19 0.52 0.93 2.80 0.00 0.00 179.97 184.77 2d3k h GLU 45 N 0.29 1.04 -0.49 0.20 3.07 -1.91 0.87 114.58 117.66 2d3k h GLU 45 Ca 0.53 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 59.20 2d3k h GLU 45 Cb 1.03 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 2d3k h GLU 45 CO -0.58 0.69 -0.19 -1.49 -1.40 0.00 0.00 179.01 176.04 2d3k h TRP 46 N 1.07 1.12 0.11 4.33 6.55 -1.36 -2.17 115.95 125.60 2d3k h TRP 46 Ca 0.29 -0.26 -0.01 0.00 0.95 0.00 0.00 58.89 59.86 2d3k h TRP 46 Cb -0.12 -0.27 0.00 0.00 -0.86 0.00 0.00 29.16 27.91 2d3k h TRP 46 CO -0.02 1.08 -0.05 0.35 -1.05 0.00 0.00 178.44 178.75 2d3k h PHE 47 N 0.85 -0.13 -0.71 0.49 3.57 -0.61 -1.67 116.94 118.73 2d3k h PHE 47 Ca 0.12 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 2d3k h PHE 47 Cb 0.76 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 2d3k h PHE 47 CO 0.05 -0.03 0.43 0.93 -2.23 0.00 0.00 178.31 177.46 2d3k h GLU 48 N -0.20 0.96 -0.23 1.11 4.39 -0.81 0.10 114.58 119.90 2d3k h GLU 48 Ca -0.01 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 2d3k h GLU 48 Cb 0.16 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2d3k h GLU 48 CO 0.02 0.68 0.09 0.00 -1.16 0.00 0.00 179.01 178.64 2d3k h ALA 49 N 1.23 0.30 0.23 3.43 0.00 -1.35 0.09 119.26 123.19 2d3k h ALA 49 Ca 0.26 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2d3k h ALA 49 Cb -0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2d3k h ALA 49 CO -0.05 -0.11 -0.27 2.35 0.00 0.00 0.00 179.25 181.17 2d3k h TRP 50 N 0.22 -0.72 -0.75 0.00 7.01 -1.03 -0.84 115.95 119.82 2d3k h TRP 50 Ca 0.08 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.14 2d3k h TRP 50 Cb 0.18 0.29 -0.06 0.00 -2.10 0.00 0.00 29.16 27.47 2d3k h TRP 50 CO -0.01 -0.39 0.45 0.35 -2.79 0.00 0.00 178.44 176.05 2d3k h PHE 51 N -0.55 0.82 -0.66 2.65 3.57 -0.68 0.27 116.94 122.35 2d3k h PHE 51 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2d3k h PHE 51 Cb 0.52 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 2d3k h PHE 51 CO -0.19 0.41 0.37 -0.09 -2.23 0.00 0.00 178.31 176.58 2d3k h ARG 52 N 0.82 0.92 0.00 1.11 2.43 -0.62 -2.36 114.38 116.68 2d3k h ARG 52 Ca 0.33 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2d3k h ARG 52 Cb 0.17 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2d3k h ARG 52 CO -0.17 0.69 0.00 0.39 -1.51 0.00 0.00 179.97 179.37 2d3k n GLU 53 N -4.53 0.07 0.00 0.20 1.02 -0.35 -4.83 120.64 112.22 2d3k n GLU 53 Ca 0.05 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 2d3k n GLU 53 Cb 0.08 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 2d3k n GLU 53 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2d3k n GLY 54 N 0.21 1.69 4.02 0.62 0.00 -0.89 -4.78 105.19 106.07 2d3k n GLY 54 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2d3k n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d3k n GLN 55 N -0.72 -0.48 -1.66 1.61 10.64 0.89 -4.82 117.38 122.85 2d3k n GLN 55 Ca 0.00 -0.03 -0.45 0.00 -1.83 0.00 0.00 57.00 54.69 2d3k n GLN 55 Cb 0.00 -2.03 -0.03 0.00 -0.86 0.00 0.00 30.24 27.32 2d3k n GLN 55 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2d3k n LYS 56 N -4.24 1.94 -4.30 2.61 4.81 -1.26 -4.87 118.16 112.84 2d3k n LYS 56 Ca -0.13 0.69 -0.18 0.00 -0.87 0.00 0.00 58.31 57.83 2d3k n LYS 56 Cb 0.48 -2.33 -0.14 0.00 0.02 0.00 0.00 35.03 33.05 2d3k n LYS 56 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2d3k s LYS 57 N -0.34 0.65 -0.06 1.64 1.02 -1.26 -1.05 119.74 120.35 2d3k s LYS 57 Ca 0.69 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 56.38 2d3k s LYS 57 Cb -0.68 -0.62 0.01 0.00 -0.52 0.00 0.00 37.83 36.02 2d3k s LYS 57 CO 0.49 0.17 -0.12 0.08 -0.92 0.00 0.00 175.35 175.05 2d3k s VAL 58 N -0.26 1.09 -0.31 3.17 1.01 -0.37 -4.96 120.40 119.75 2d3k s VAL 58 Ca 0.02 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 2d3k s VAL 58 Cb -0.04 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 2d3k s VAL 58 CO -0.00 0.34 0.18 -0.69 0.00 0.00 0.00 175.10 174.93 2d3k s VAL 59 N 0.57 4.91 0.54 2.92 1.01 -1.26 -0.67 120.40 128.43 2d3k s VAL 59 Ca -0.12 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.64 2d3k s VAL 59 Cb -0.15 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.79 2d3k s VAL 59 CO 0.03 0.09 0.17 1.33 0.00 0.00 0.00 175.10 176.72 2d3k n VAL 60 N 5.03 0.00 -4.16 2.92 0.24 -0.45 -1.55 118.33 120.36 2d3k n VAL 60 Ca -0.14 -2.40 -0.10 0.00 -2.04 0.00 0.00 64.34 59.66 2d3k n VAL 60 Cb 0.50 0.30 -0.10 0.00 -1.47 0.00 0.00 33.84 33.07 2d3k n VAL 60 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2d3k s LYS 61 N -4.07 0.97 0.08 7.34 -2.85 -0.31 -1.22 119.74 119.67 2d3k s LYS 61 Ca 0.13 -1.47 -0.03 0.00 -1.00 0.00 0.00 55.97 53.61 2d3k s LYS 61 Cb -0.01 0.22 -0.03 0.00 -2.06 0.00 0.00 37.83 35.95 2d3k s LYS 61 CO 0.08 -0.27 0.04 0.14 0.10 0.00 0.00 175.35 175.44 2d3k s VAL 62 N -4.04 0.18 -1.39 1.79 -7.23 -0.86 -4.24 120.40 104.60 2d3k s VAL 62 Ca 0.26 -1.72 0.13 0.00 -1.81 0.00 0.00 61.98 58.84 2d3k s VAL 62 Cb 0.07 -1.62 0.26 0.00 0.56 0.00 0.00 36.38 35.65 2d3k s VAL 62 CO 0.03 -0.80 1.14 -0.62 -0.31 0.00 0.00 175.10 174.55 2d3k n GLU 63 N 0.02 1.98 -3.91 4.82 4.71 -1.26 -1.58 120.64 125.42 2d3k n GLU 63 Ca -0.12 -1.79 -0.09 0.00 -0.01 0.00 0.00 57.16 55.15 2d3k n GLU 63 Cb 0.62 -1.30 -0.08 0.00 -1.01 0.00 0.00 31.44 29.67 2d3k n GLU 63 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2d3k s SER 64 N -1.06 0.20 0.19 1.62 1.04 -1.26 -4.51 113.70 109.92 2d3k s SER 64 Ca 0.23 -0.70 -0.06 0.00 0.48 0.00 0.00 55.95 55.90 2d3k s SER 64 Cb 0.13 0.30 0.10 0.00 0.10 0.00 0.00 66.02 66.65 2d3k s SER 64 CO 0.18 -0.67 1.55 -0.08 0.98 0.00 0.00 173.24 175.20 2d3k h GLU 65 N 2.96 0.76 -0.69 4.02 4.81 -1.95 -3.15 114.58 121.35 2d3k h GLU 65 Ca -0.34 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.52 2d3k h GLU 65 Cb 1.18 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 2d3k h GLU 65 CO 0.57 1.00 0.44 0.93 -0.73 0.00 0.00 179.01 181.22 2d3k h GLU 66 N 0.63 0.92 -0.81 1.92 3.07 -2.01 -2.37 114.58 115.93 2d3k h GLU 66 Ca 0.06 -0.06 0.05 0.00 -0.50 0.00 0.00 59.36 58.91 2d3k h GLU 66 Cb 0.90 -0.20 -0.05 0.00 -0.84 0.00 0.00 28.75 28.56 2d3k h GLU 66 CO 0.08 0.62 0.53 0.93 -1.40 0.00 0.00 179.01 179.77 2d3k h GLU 67 N 0.94 0.92 -0.67 2.33 5.08 -1.97 -1.39 114.58 119.81 2d3k h GLU 67 Ca 0.25 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 2d3k h GLU 67 Cb -0.08 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 28.93 2d3k h GLU 67 CO -0.05 0.61 0.19 -0.07 -1.00 0.00 0.00 179.01 178.68 2d3k h LEU 68 N 0.94 0.99 -0.53 1.33 3.38 -1.53 -1.52 115.31 118.38 2d3k h LEU 68 Ca 0.34 -0.22 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 2d3k h LEU 68 Cb 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2d3k h LEU 68 CO -0.11 0.95 -0.39 -0.26 0.09 0.00 0.00 178.44 178.72 2d3k h PHE 69 N 0.99 0.90 -0.62 1.13 0.04 -1.42 -0.39 116.94 117.56 2d3k h PHE 69 Ca 0.21 -0.27 -0.04 0.00 2.80 0.00 0.00 57.97 60.68 2d3k h PHE 69 Cb 0.33 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 2d3k h PHE 69 CO 0.02 1.03 0.23 -0.22 -0.60 0.00 0.00 178.31 178.78 2d3k h LYS 70 N 0.62 0.94 -0.32 1.51 3.64 -1.10 -1.17 116.57 120.69 2d3k h LYS 70 Ca 0.05 -0.18 -0.12 0.00 -1.27 0.00 0.00 60.65 59.13 2d3k h LYS 70 Cb 0.94 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 2d3k h LYS 70 CO 0.09 0.81 -0.29 -0.07 -2.27 0.00 0.00 179.45 177.71 2d3k h LEU 71 N 0.88 0.69 -0.64 5.20 3.38 -1.14 -2.51 115.31 121.16 2d3k h LEU 71 Ca 0.21 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2d3k h LEU 71 Cb 0.23 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2d3k h LEU 71 CO -0.01 0.94 0.23 0.50 0.09 0.00 0.00 178.44 180.18 2d3k h LYS 72 N 0.58 0.99 -0.35 1.13 3.64 -0.66 -1.10 116.57 120.79 2d3k h LYS 72 Ca 0.07 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2d3k h LYS 72 Cb 0.79 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2d3k h LYS 72 CO 0.06 0.85 0.23 0.00 -2.27 0.00 0.00 179.45 178.32 2d3k h ALA 73 N 1.09 0.44 -0.69 5.00 0.00 -1.03 -0.77 119.26 123.30 2d3k h ALA 73 Ca 0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2d3k h ALA 73 Cb 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2d3k h ALA 73 CO -0.01 -0.09 0.36 0.93 0.00 0.00 0.00 179.25 180.44 2d3k h GLU 74 N 0.47 0.97 -0.62 0.00 5.08 -1.17 -0.17 114.58 119.14 2d3k h GLU 74 Ca 0.13 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2d3k h GLU 74 Cb -0.05 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 2d3k h GLU 74 CO -0.03 0.75 0.22 0.00 -1.00 0.00 0.00 179.01 178.95 2d3k h ALA 75 N 1.18 1.23 -0.37 3.43 0.00 -0.88 -1.77 119.26 122.07 2d3k h ALA 75 Ca 0.24 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 2d3k h ALA 75 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2d3k h ALA 75 CO -0.04 0.56 -0.30 0.93 0.00 0.00 0.00 179.25 180.40 2d3k h GLU 76 N 0.90 0.86 -0.68 0.00 5.08 -0.66 -0.37 114.58 119.71 2d3k h GLU 76 Ca 0.21 -0.43 0.03 0.00 -1.00 0.00 0.00 59.36 58.17 2d3k h GLU 76 Cb 0.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2d3k h GLU 76 CO -0.01 1.07 0.45 -0.22 -1.00 0.00 0.00 179.01 179.30 2d3k h LYS 77 N 0.67 0.81 -0.04 2.33 3.64 -0.62 -1.13 116.57 122.24 2d3k h LYS 77 Ca 0.07 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2d3k h LYS 77 Cb 0.88 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 2d3k h LYS 77 CO 0.08 0.54 0.00 1.28 -2.27 0.00 0.00 179.45 179.08 2d3k n LEU 78 N -4.45 0.91 -1.19 5.20 4.77 -0.70 -4.92 117.00 116.62 2d3k n LEU 78 Ca 0.08 -0.33 -0.12 0.00 -0.03 0.00 0.00 56.01 55.61 2d3k n LEU 78 Cb 0.11 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 2d3k n LEU 78 CO 0.35 0.17 -0.14 0.61 -1.33 0.00 0.00 177.39 177.05 2d3k n GLY 79 N 1.06 0.36 3.83 -0.72 0.00 -0.43 -5.01 105.19 104.29 2d3k n GLY 79 Ca 0.19 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 2d3k n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d3k s LEU 80 N -3.13 4.45 0.30 0.99 1.43 -0.18 -5.03 118.68 117.51 2d3k s LEU 80 Ca 0.00 1.15 -0.30 0.00 -1.03 0.00 0.00 54.13 53.95 2d3k s LEU 80 Cb 0.00 -2.99 -0.11 0.00 0.03 0.00 0.00 46.19 43.12 2d3k s LEU 80 CO 0.00 0.22 1.53 -2.84 0.23 0.00 0.00 176.35 175.49 2d3k s PRO 81 N -1.43 4.16 0.21 1.29 0.02 -1.26 -4.59 135.00 133.40 2d3k s PRO 81 Ca 0.32 2.50 -0.21 0.00 0.02 0.00 0.00 61.00 63.63 2d3k s PRO 81 Cb -0.17 -3.03 0.04 0.00 0.02 0.00 0.00 34.50 31.36 2d3k s PRO 81 CO 0.18 -0.55 0.62 0.54 -0.33 0.00 0.00 177.00 177.46 2d3k s ASN 82 N 0.31 -0.39 -0.21 2.53 2.20 -1.26 -0.65 114.94 117.47 2d3k s ASN 82 Ca 0.60 -0.31 -0.08 0.00 -0.94 0.00 0.00 52.86 52.12 2d3k s ASN 82 Cb -0.46 0.63 0.09 0.00 -2.00 0.00 0.00 41.25 39.51 2d3k s ASN 82 CO 0.50 -1.11 0.46 0.00 -2.94 0.00 0.00 177.10 174.01 2d3k s ALA 83 N -3.83 -1.27 -0.25 3.54 0.00 -0.45 -4.66 121.76 114.83 2d3k s ALA 83 Ca 0.06 1.65 -0.12 0.00 0.00 0.00 0.00 51.96 53.56 2d3k s ALA 83 Cb -0.03 -1.29 -0.05 0.00 0.00 0.00 0.00 23.12 21.76 2d3k s ALA 83 CO -0.04 -0.64 0.23 -1.17 0.00 0.00 0.00 175.76 174.14 2d3k s LEU 84 N 2.31 4.08 -0.14 0.00 2.96 -1.26 -0.79 118.68 125.84 2d3k s LEU 84 Ca -0.04 0.16 -0.07 0.00 -0.22 0.00 0.00 54.13 53.95 2d3k s LEU 84 Cb -0.11 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 2d3k s LEU 84 CO -0.14 -0.02 0.13 -0.63 -1.32 0.00 0.00 176.35 174.36 2d3k s ILE 85 N 1.44 5.39 -0.19 6.68 -1.09 -0.03 -5.02 121.20 128.39 2d3k s ILE 85 Ca 0.10 0.17 -0.03 0.00 -2.23 0.00 0.00 60.65 58.66 2d3k s ILE 85 Cb -0.15 -3.37 0.06 0.00 -1.58 0.00 0.00 42.46 37.42 2d3k s ILE 85 CO 0.08 0.57 0.03 -0.13 -1.23 0.00 0.00 174.94 174.25 2d3k s ARG 86 N -0.63 0.70 -0.44 2.79 0.52 -1.26 -0.67 118.95 119.96 2d3k s ARG 86 Ca 0.13 -0.41 -0.21 0.00 -0.52 0.00 0.00 55.73 54.72 2d3k s ARG 86 Cb -0.12 -2.06 0.03 0.00 0.52 0.00 0.00 34.95 33.32 2d3k s ARG 86 CO 0.02 -0.62 0.65 0.34 0.02 0.00 0.00 175.30 175.71 2d3k s ASP 87 N 1.84 6.32 0.09 0.23 -1.08 -1.26 -4.91 116.67 117.91 2d3k s ASP 87 Ca -0.01 -0.37 -0.17 0.00 -0.52 0.00 0.00 52.55 51.48 2d3k s ASP 87 Cb -0.17 -2.32 -0.08 0.00 -1.46 0.00 0.00 42.92 38.89 2d3k s ASP 87 CO -0.08 -0.79 1.47 0.00 0.52 0.00 0.00 175.17 176.29 2d3k h ALA 88 N 8.89 0.39 -0.00 3.66 0.00 -1.98 -2.40 119.26 127.82 2d3k h ALA 88 Ca -0.25 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2d3k h ALA 88 Cb 1.10 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2d3k h ALA 88 CO 0.90 0.24 0.06 0.78 0.00 0.00 0.00 179.25 181.23 2d3k h GLY 89 N 0.31 0.00 -5.67 0.00 0.00 -2.01 -3.14 103.07 92.55 2d3k h GLY 89 Ca 0.07 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.68 2d3k h GLY 89 CO 0.03 0.00 2.95 -0.10 0.00 0.00 0.00 176.54 179.42 2d3k n LEU 90 N -3.05 7.77 -0.16 3.11 7.94 -0.90 -4.69 117.00 127.01 2d3k n LEU 90 Ca -0.03 -4.52 0.00 0.00 -1.11 0.00 0.00 56.01 50.35 2d3k n LEU 90 Cb 0.13 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 42.57 2d3k n LEU 90 CO 0.19 1.74 0.26 0.35 -1.11 0.00 0.00 177.39 178.82 2d3k n THR 91 N 3.32 0.00 0.28 1.96 -2.24 -1.19 -2.72 114.28 113.69 2d3k n THR 91 Ca 0.61 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.51 2d3k n THR 91 Cb 0.29 -0.23 0.21 0.00 -2.10 0.00 0.00 70.33 68.51 2d3k n THR 91 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2d3k h GLU 92 N 0.12 0.00 -5.33 -0.78 5.08 -1.91 -3.46 114.58 108.30 2d3k h GLU 92 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 2d3k h GLU 92 Cb 0.10 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.21 2d3k h GLU 92 CO 0.00 0.00 -0.64 0.96 -1.00 0.00 0.00 179.01 178.33 2d3k s ILE 93 N -3.20 1.37 0.37 3.13 -4.36 -1.10 -5.12 121.20 112.29 2d3k s ILE 93 Ca 0.07 -2.06 -0.24 0.00 -0.26 0.00 0.00 60.65 58.16 2d3k s ILE 93 Cb 0.06 -2.57 -0.13 0.00 1.25 0.00 0.00 42.46 41.07 2d3k s ILE 93 CO 0.66 -0.19 0.75 -2.65 0.24 0.00 0.00 174.94 173.76 2d3k n PRO 94 N -0.60 0.87 -1.76 0.37 -0.02 -1.26 -4.86 135.00 127.73 2d3k n PRO 94 Ca -0.04 0.31 -0.42 0.00 -2.02 0.00 0.00 63.50 61.33 2d3k n PRO 94 Cb 0.65 -1.66 -0.03 0.00 -0.02 0.00 0.00 33.50 32.44 2d3k n PRO 94 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2d3k s PRO 95 N -1.63 4.14 0.00 0.52 0.02 -1.26 -2.17 135.00 134.62 2d3k s PRO 95 Ca 0.62 2.57 0.00 0.00 0.02 0.00 0.00 61.00 64.21 2d3k s PRO 95 Cb -0.64 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 30.70 2d3k s PRO 95 CO 0.58 -0.75 0.00 0.41 -0.33 0.00 0.00 177.00 176.91 2d3k n GLY 96 N 3.99 0.63 3.70 0.52 0.00 -1.26 -5.01 105.19 107.75 2d3k n GLY 96 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2d3k n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d3k s THR 97 N -2.22 3.44 0.16 2.61 2.01 -0.92 -4.90 115.64 115.82 2d3k s THR 97 Ca 0.00 0.91 -0.30 0.00 0.31 0.00 0.00 61.69 62.61 2d3k s THR 97 Cb 0.00 -3.59 -0.07 0.00 0.01 0.00 0.00 72.50 68.85 2d3k s THR 97 CO 0.00 0.02 0.98 0.68 -0.69 0.00 0.00 174.62 175.61 2d3k s VAL 98 N 2.08 4.27 -0.17 3.82 -7.23 -1.26 -3.97 120.40 117.94 2d3k s VAL 98 Ca 0.66 2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 62.81 2d3k s VAL 98 Cb -0.35 -4.27 -0.09 0.00 0.56 0.00 0.00 36.38 32.22 2d3k s VAL 98 CO 0.29 0.36 -0.17 0.35 -0.31 0.00 0.00 175.10 175.62 2d3k n THR 99 N 2.34 0.93 -3.95 5.32 -2.24 0.15 -4.94 114.28 111.89 2d3k n THR 99 Ca 0.01 -0.31 -0.10 0.00 -2.27 0.00 0.00 64.05 61.38 2d3k n THR 99 Cb 0.48 -1.30 -0.07 0.00 -2.10 0.00 0.00 70.33 67.34 2d3k n THR 99 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2d3k s VAL 100 N -2.32 0.06 -0.10 2.28 -7.23 -1.25 -2.05 120.40 109.79 2d3k s VAL 100 Ca -0.23 -1.36 -0.01 0.00 -1.81 0.00 0.00 61.98 58.58 2d3k s VAL 100 Cb 0.07 -1.85 0.03 0.00 0.56 0.00 0.00 36.38 35.19 2d3k s VAL 100 CO 0.35 -0.27 -0.03 -0.22 -0.31 0.00 0.00 175.10 174.62 2d3k s LEU 101 N -2.97 0.91 -0.12 1.32 2.96 0.14 -0.85 118.68 120.07 2d3k s LEU 101 Ca 0.17 -0.23 -0.13 0.00 -0.22 0.00 0.00 54.13 53.72 2d3k s LEU 101 Cb 0.03 -0.63 -0.05 0.00 0.50 0.00 0.00 46.19 46.04 2d3k s LEU 101 CO 0.00 -0.17 0.31 0.00 -1.32 0.00 0.00 176.35 175.17 2d3k s ALA 102 N 1.84 3.65 -0.15 5.97 0.00 0.03 -0.10 121.76 133.00 2d3k s ALA 102 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2d3k s ALA 102 Cb -0.13 -2.35 0.02 0.00 0.00 0.00 0.00 23.12 20.67 2d3k s ALA 102 CO -0.07 0.24 -0.14 0.08 0.00 0.00 0.00 175.76 175.87 2d3k s VAL 103 N -0.05 1.58 0.00 0.00 1.01 0.11 -1.35 120.40 121.71 2d3k s VAL 103 Ca 0.18 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2d3k s VAL 103 Cb -0.14 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.74 2d3k s VAL 103 CO 0.06 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2d3k n GLY 104 N 4.76 -1.63 3.69 4.51 0.00 0.18 -0.56 105.19 116.14 2d3k n GLY 104 Ca -0.17 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.34 2d3k n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d3k n PRO 105 N -0.08 0.89 0.00 1.61 -0.04 -1.26 -4.42 135.00 131.70 2d3k n PRO 105 Ca 0.00 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 2d3k n PRO 105 Cb 0.00 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 2d3k n PRO 105 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d3k n ALA 106 N -2.13 0.00 -1.63 0.55 0.00 -1.11 -4.59 120.51 111.59 2d3k n ALA 106 Ca 0.15 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 53.12 2d3k n ALA 106 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 2d3k n ALA 106 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2d3k n PRO 107 N -0.01 1.67 -0.34 0.00 -0.02 -1.26 -2.18 135.00 132.86 2d3k n PRO 107 Ca 0.00 0.60 0.11 0.00 -2.02 0.00 0.00 63.50 62.19 2d3k n PRO 107 Cb 0.00 -2.23 0.29 0.00 -0.02 0.00 0.00 33.50 31.54 2d3k n PRO 107 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2d3k h GLU 108 N 4.42 0.69 -0.49 -0.52 -0.00 -1.51 -1.62 114.58 115.55 2d3k h GLU 108 Ca -0.45 -0.04 -0.04 0.00 -0.00 0.00 0.00 59.36 58.83 2d3k h GLU 108 Cb 1.30 -0.16 -0.02 0.00 -0.00 0.00 0.00 28.75 29.87 2d3k h GLU 108 CO 0.77 0.46 0.14 1.05 -0.00 0.00 0.00 179.01 181.43 2d3k h GLU 109 N 0.71 0.73 0.00 1.06 9.09 -1.88 -0.71 114.58 123.58 2d3k h GLU 109 Ca 0.55 -0.13 -0.19 0.00 0.05 0.00 0.00 59.36 59.64 2d3k h GLU 109 Cb 0.84 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 27.81 2d3k h GLU 109 CO -0.39 0.64 -0.87 0.97 0.05 0.00 0.00 179.01 179.41 2d3k h ILE 110 N 0.71 1.51 -0.50 -1.06 2.10 -1.67 -2.08 117.51 116.52 2d3k h ILE 110 Ca 0.16 -2.66 -0.05 0.00 1.08 0.00 0.00 64.86 63.39 2d3k h ILE 110 Cb 0.23 2.48 -0.02 0.00 -1.09 0.00 0.00 36.82 38.42 2d3k h ILE 110 CO -0.01 0.77 0.10 0.58 -1.08 0.00 0.00 178.15 178.51 2d3k h VAL 111 N 0.09 1.25 0.00 2.19 2.07 -1.02 -2.27 116.25 118.56 2d3k h VAL 111 Ca -0.04 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 2d3k h VAL 111 Cb 1.50 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 2d3k h VAL 111 CO 0.13 0.32 -0.11 0.44 0.02 0.00 0.00 177.57 178.37 2d3k h ASP 112 N 0.69 0.00 -0.04 0.57 3.32 -1.03 -0.83 116.42 119.09 2d3k h ASP 112 Ca 0.15 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.21 2d3k h ASP 112 Cb 0.37 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 2d3k h ASP 112 CO 0.01 0.11 0.05 0.50 -1.72 0.00 0.00 179.24 178.18 2d3k h LYS 113 N 0.00 0.00 0.00 3.56 1.63 -0.75 0.64 116.57 121.65 2d3k h LYS 113 Ca -0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 2d3k h LYS 113 Cb 0.41 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.04 2d3k h LYS 113 CO 0.01 0.00 -1.00 0.28 -3.45 0.00 0.00 179.45 175.30 2d3k n VAL 114 N -3.75 1.49 1.26 2.00 0.31 -0.42 -4.71 118.33 114.50 2d3k n VAL 114 Ca -0.02 0.12 0.13 0.00 -0.01 0.00 0.00 64.34 64.56 2d3k n VAL 114 Cb 0.14 -2.33 0.38 0.00 -0.91 0.00 0.00 33.84 31.11 2d3k n VAL 114 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2d3k n THR 115 N -4.48 0.06 -0.08 2.52 -2.24 -0.61 -4.63 114.28 104.84 2d3k n THR 115 Ca -0.15 -0.36 0.26 0.00 -2.27 0.00 0.00 64.05 61.53 2d3k n THR 115 Cb 0.50 0.77 0.70 0.00 -2.10 0.00 0.00 70.33 70.19 2d3k n THR 115 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2d3k h GLY 116 N 4.82 0.00 -2.49 3.38 0.00 0.11 -1.34 103.07 107.55 2d3k h GLY 116 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2d3k h GLY 116 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.53 2d3k n ASN 117 N -3.82 3.64 -4.84 0.19 5.15 -1.26 -4.95 115.26 109.36 2d3k n ASN 117 Ca 0.15 -2.00 -0.36 0.00 -0.60 0.00 0.00 54.58 51.78 2d3k n ASN 117 Cb 0.93 -0.43 -0.06 0.00 -0.53 0.00 0.00 39.78 39.69 2d3k n ASN 117 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2d3k s LEU 118 N -1.06 4.38 0.33 1.20 1.43 -0.51 -5.08 118.68 119.37 2d3k s LEU 118 Ca 0.45 1.02 -0.15 0.00 -1.03 0.00 0.00 54.13 54.42 2d3k s LEU 118 Cb 0.24 -3.06 -0.09 0.00 0.03 0.00 0.00 46.19 43.31 2d3k s LEU 118 CO 0.31 0.17 0.74 -0.54 0.23 0.00 0.00 176.35 177.26 2d3k s LYS 119 N -1.72 3.99 0.47 1.70 1.02 -1.26 -4.86 119.74 119.09 2d3k s LYS 119 Ca 0.34 0.66 -0.24 0.00 0.02 0.00 0.00 55.97 56.74 2d3k s LYS 119 Cb -0.15 -2.43 -0.07 0.00 -0.52 0.00 0.00 37.83 34.66 2d3k s LYS 119 CO 0.18 0.15 1.37 -0.51 -0.92 0.00 0.00 175.35 175.62 2d3k s LEU 120 N -3.02 4.04 0.00 3.17 1.43 -1.26 -1.16 118.68 121.88 2d3k s LEU 120 Ca 0.54 2.79 0.31 0.00 -1.03 0.00 0.00 54.13 56.74 2d3k s LEU 120 Cb -0.10 -4.05 1.63 0.00 0.03 0.00 0.00 46.19 43.70 2d3k s LEU 120 CO 0.18 -1.23 2.07 -0.11 0.23 0.00 0.00 176.35 177.50