#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3m n SER 2 N 0.00 1.28 0.00 3.17 3.41 -1.26 -4.86 113.62 115.36 2k3m n SER 2 Ca 0.00 -1.45 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 2k3m n SER 2 Cb 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 2k3m n SER 2 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k3m n ASP 3 N 0.01 0.00 -3.71 4.04 2.03 -1.26 -5.19 116.55 112.47 2k3m n ASP 3 Ca 0.19 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.36 2k3m n ASP 3 Cb 0.31 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.63 2k3m n ASP 3 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2k3m s PHE 4 N 0.00 -0.31 -0.05 -0.67 5.36 -1.26 -5.17 117.98 115.88 2k3m s PHE 4 Ca 0.00 0.56 -0.18 0.00 -0.96 0.00 0.00 56.93 56.34 2k3m s PHE 4 Cb 0.00 0.16 0.04 0.00 -0.34 0.00 0.00 43.02 42.88 2k3m s PHE 4 CO 0.00 -0.40 0.41 -0.51 -1.46 0.00 0.00 175.22 173.26 2k3m s ASP 5 N -1.06 -0.34 0.00 6.13 1.01 -1.26 -4.96 116.67 116.20 2k3m s ASP 5 Ca -0.11 0.37 0.00 0.00 0.71 0.00 0.00 52.55 53.52 2k3m s ASP 5 Cb -0.04 0.47 0.00 0.00 1.01 0.00 0.00 42.92 44.36 2k3m s ASP 5 CO 0.05 -0.43 0.00 0.41 0.21 0.00 0.00 175.17 175.41 2k3m n THR 6 N 1.49 0.00 -0.13 -1.27 -1.04 -1.26 -4.48 114.28 107.58 2k3m n THR 6 Ca -0.19 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.76 2k3m n THR 6 Cb 0.56 -0.66 0.03 0.00 -1.82 0.00 0.00 70.33 68.44 2k3m n THR 6 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2k3m h GLU 7 N 0.00 0.40 0.57 -2.82 4.39 -2.00 5.91 114.58 121.04 2k3m h GLU 7 Ca 0.00 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 2k3m h GLU 7 Cb 0.00 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2k3m h GLU 7 CO 0.00 0.27 -0.27 0.00 -1.16 0.00 0.00 179.01 177.84 2k3m h ARG 8 N 0.41 -0.74 0.27 2.33 3.08 -1.95 0.49 114.38 118.27 2k3m h ARG 8 Ca 0.18 0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2k3m h ARG 8 Cb 0.10 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2k3m h ARG 8 CO -0.13 -0.49 -0.13 -0.39 -1.07 0.00 0.00 179.97 177.75 2k3m h VAL 9 N -1.04 0.76 0.64 2.04 -1.51 -1.89 0.52 116.25 115.76 2k3m h VAL 9 Ca -0.08 -0.17 -0.03 0.00 -1.23 0.00 0.00 66.70 65.19 2k3m h VAL 9 Cb 0.59 0.86 0.01 0.00 -2.13 0.00 0.00 31.29 30.62 2k3m h VAL 9 CO 0.13 0.04 -0.31 -1.28 -1.23 0.00 0.00 177.57 174.92 2k3m h SER 10 N -0.44 -0.72 -0.53 4.19 0.87 1.20 2.11 113.55 120.22 2k3m h SER 10 Ca -0.04 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2k3m h SER 10 Cb 0.34 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 2k3m h SER 10 CO 0.06 -0.41 0.27 -0.09 -0.53 0.00 0.00 176.83 176.13 2k3m h ARG 11 N -1.08 0.75 0.32 2.24 2.43 0.35 3.62 114.38 123.02 2k3m h ARG 11 Ca -0.09 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 58.96 2k3m h ARG 11 Cb 0.66 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2k3m h ARG 11 CO 0.14 0.61 -0.16 0.00 -1.51 0.00 0.00 179.97 179.06 2k3m h ALA 12 N 1.11 -0.44 0.33 2.80 0.00 0.50 1.15 119.26 124.71 2k3m h ALA 12 Ca 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2k3m h ALA 12 Cb 0.09 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2k3m h ALA 12 CO -0.03 -0.49 -0.16 0.28 0.00 0.00 0.00 179.25 178.86 2k3m h VAL 13 N -0.95 0.69 0.41 0.00 2.07 0.35 0.82 116.25 119.65 2k3m h VAL 13 Ca -0.04 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2k3m h VAL 13 Cb 0.51 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2k3m h VAL 13 CO 0.07 0.03 -0.20 0.00 0.02 0.00 0.00 177.57 177.49 2k3m h ALA 14 N 0.14 -1.01 0.20 1.67 0.00 0.69 0.61 119.26 121.55 2k3m h ALA 14 Ca -0.04 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2k3m h ALA 14 Cb 0.38 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2k3m h ALA 14 CO 0.07 -0.97 -0.31 0.00 0.00 0.00 0.00 179.25 178.05 2k3m h ALA 15 N -1.68 -0.58 0.64 0.00 0.00 0.14 1.52 119.26 119.30 2k3m h ALA 15 Ca -0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2k3m h ALA 15 Cb 0.43 0.48 0.01 0.00 0.00 0.00 0.00 17.79 18.70 2k3m h ALA 15 CO 0.09 -0.87 -0.31 0.00 0.00 0.00 0.00 179.25 178.17 2k3m h ALA 16 N 0.04 -0.85 0.05 0.00 0.00 0.78 2.26 119.26 121.53 2k3m h ALA 16 Ca 0.01 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.74 2k3m h ALA 16 Cb 0.57 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 2k3m h ALA 16 CO -0.13 -0.84 -0.31 1.25 0.00 0.00 0.00 179.25 179.21 2k3m h LEU 17 N -1.13 -0.93 0.44 0.00 5.85 0.75 3.51 115.31 123.80 2k3m h LEU 17 Ca -0.09 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2k3m h LEU 17 Cb 0.69 0.36 0.00 0.00 0.37 0.00 0.00 40.66 42.09 2k3m h LEU 17 CO 0.14 -0.39 -0.21 -0.37 -0.34 0.00 0.00 178.44 177.27 2k3m h VAL 18 N -0.49 0.00 -0.24 1.05 -1.51 0.23 -3.29 116.25 112.00 2k3m h VAL 18 Ca 0.05 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 2k3m h VAL 18 Cb 0.56 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.72 2k3m h VAL 18 CO -0.23 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.72 2k3m n GLY 19 N 0.25 -2.58 0.14 5.19 0.00 0.76 -3.77 105.19 105.17 2k3m n GLY 19 Ca -0.07 -0.87 0.03 0.00 0.00 0.00 0.00 46.02 45.11 2k3m n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3m h PRO 20 N 0.00 0.00 0.84 1.61 0.13 -1.75 -3.08 132.00 129.74 2k3m h PRO 20 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2k3m h PRO 20 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2k3m h PRO 20 CO 0.00 0.46 -0.40 0.78 -0.23 0.00 0.00 178.00 178.61 2k3m h GLY 21 N 3.54 -1.17 0.97 1.56 0.00 -1.77 6.00 103.07 112.19 2k3m h GLY 21 Ca -0.01 0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.75 2k3m h GLY 21 CO 0.06 -0.43 -0.02 -1.33 0.00 0.00 0.00 176.54 174.83 2k3m h GLY 22 N -1.22 -0.05 1.35 4.60 0.00 0.64 0.17 103.07 108.55 2k3m h GLY 22 Ca -0.11 0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.28 2k3m h GLY 22 CO 0.19 -0.02 0.34 -2.08 0.00 0.00 0.00 176.54 174.96 2k3m h VAL 23 N -0.09 1.02 0.82 4.60 2.07 -1.32 0.36 116.25 123.71 2k3m h VAL 23 Ca -0.01 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 2k3m h VAL 23 Cb 0.07 0.46 0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2k3m h VAL 23 CO 0.01 0.09 -0.39 0.00 0.02 0.00 0.00 177.57 177.30 2k3m h ALA 24 N 1.72 -1.21 -0.47 1.67 0.00 1.40 0.22 119.26 122.58 2k3m h ALA 24 Ca 0.21 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k3m h ALA 24 Cb 0.19 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2k3m h ALA 24 CO -0.06 -1.13 0.30 -0.07 0.00 0.00 0.00 179.25 178.29 2k3m h LEU 25 N -1.17 0.55 0.97 0.00 3.38 -0.31 0.46 115.31 119.19 2k3m h LEU 25 Ca -0.11 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 2k3m h LEU 25 Cb 0.84 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.46 2k3m h LEU 25 CO 0.18 0.42 -0.47 0.58 0.09 0.00 0.00 178.44 179.24 2k3m h VAL 26 N 0.64 0.00 -0.99 1.22 2.07 -0.27 0.76 116.25 119.68 2k3m h VAL 26 Ca 0.17 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.73 2k3m h VAL 26 Cb -0.04 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.67 2k3m h VAL 26 CO -0.03 0.00 0.65 0.58 0.02 0.00 0.00 177.57 178.79 2k3m h VAL 27 N -1.31 1.17 0.36 2.57 2.07 -0.47 0.86 116.25 121.49 2k3m h VAL 27 Ca -0.13 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 2k3m h VAL 27 Cb 1.01 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2k3m h VAL 27 CO 0.21 0.23 -0.17 0.50 0.02 0.00 0.00 177.57 178.36 2k3m h LYS 28 N 1.25 -0.47 0.06 1.57 3.64 0.09 0.17 116.57 122.88 2k3m h LYS 28 Ca 0.40 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.81 2k3m h LYS 28 Cb 0.01 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2k3m h LYS 28 CO -0.13 -0.16 -0.03 -0.24 -2.27 0.00 0.00 179.45 176.63 2k3m h VAL 29 N -0.81 1.13 0.47 2.00 3.04 0.81 0.12 116.25 123.01 2k3m h VAL 29 Ca -0.05 -0.65 -0.02 0.00 -1.01 0.00 0.00 66.70 64.96 2k3m h VAL 29 Cb 0.53 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 2k3m h VAL 29 CO 0.08 0.16 -0.22 0.00 -1.01 0.00 0.00 177.57 176.58 2k3m h ALA 31 N -1.43 -0.39 -4.22 0.00 0.00 -0.76 -3.48 119.26 108.98 2k3m h ALA 31 Ca -0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2k3m h ALA 31 Cb 0.48 0.15 0.04 0.00 0.00 0.00 0.00 17.79 18.46 2k3m h ALA 31 CO 0.11 -0.65 -0.17 0.41 0.00 0.00 0.00 179.25 178.95 2k3m n GLY 32 N -0.88 -0.54 0.93 0.00 0.00 0.42 -4.79 105.19 100.34 2k3m n GLY 32 Ca -0.10 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2k3m n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k3m n LEU 33 N -1.77 -1.25 0.00 0.99 4.77 -1.26 -4.84 117.00 113.65 2k3m n LEU 33 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2k3m n LEU 33 Cb 0.52 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2k3m n LEU 33 CO 0.28 0.00 0.42 -2.65 -1.33 0.00 0.00 177.39 174.12 2k3m n PRO 34 N 0.23 0.00 0.49 3.23 -0.02 -1.26 -2.66 135.00 135.01 2k3m n PRO 34 Ca 0.00 0.13 -0.19 0.00 -2.02 0.00 0.00 63.50 61.42 2k3m n PRO 34 Cb 0.00 -1.78 -0.09 0.00 -0.02 0.00 0.00 33.50 31.61 2k3m n PRO 34 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2k3m h GLY 35 N 0.00 -1.30 0.00 -1.23 0.00 -1.96 -3.44 103.07 95.13 2k3m h GLY 35 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.81 2k3m h GLY 35 CO 0.00 -0.47 0.00 1.55 0.00 0.00 0.00 176.54 177.62 2k3m n VAL 36 N -5.53 0.00 -2.30 4.60 3.14 -1.09 -4.98 118.33 112.18 2k3m n VAL 36 Ca -0.16 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.18 2k3m n VAL 36 Cb 0.49 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.28 2k3m n VAL 36 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 2k3m n ILE 37 N 0.00 -7.33 -3.88 1.55 -0.00 -1.26 -5.04 119.36 103.41 2k3m n ILE 37 Ca 0.00 0.50 -0.15 0.00 -0.00 0.00 0.00 62.75 63.10 2k3m n ILE 37 Cb 0.00 -5.93 -0.16 0.00 -0.00 0.00 0.00 39.64 33.55 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.38 -0.00 0.00 0.00 176.55 175.17 2k3m s HIS 38 N -1.98 0.16 0.24 1.39 -3.43 -1.26 -5.10 115.29 105.31 2k3m s HIS 38 Ca 0.14 0.04 0.07 0.00 -0.80 0.00 0.00 55.06 54.52 2k3m s HIS 38 Cb -0.04 -0.27 -0.04 0.00 -1.43 0.00 0.00 32.58 30.81 2k3m s HIS 38 CO 0.45 -0.08 0.14 -0.08 -2.00 0.00 0.00 174.74 173.17 2k3m s THR 39 N 0.77 4.23 0.10 -5.38 -1.32 -1.26 -5.02 115.64 107.76 2k3m s THR 39 Ca -0.07 -1.47 0.25 0.00 -1.21 0.00 0.00 61.69 59.18 2k3m s THR 39 Cb -0.10 -3.26 0.25 0.00 -1.51 0.00 0.00 72.50 67.87 2k3m s THR 39 CO -0.02 -0.32 1.82 1.55 -2.21 0.00 0.00 174.62 175.44 2k3m h PRO 40 N 1.70 0.00 -3.21 7.08 0.13 -2.09 -3.36 132.00 132.26 2k3m h PRO 40 Ca -0.48 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.02 2k3m h PRO 40 Cb 1.24 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.95 2k3m h PRO 40 CO 0.61 0.21 -0.58 0.00 -0.23 0.00 0.00 178.00 178.00 2k3m s ALA 41 N -3.61 3.64 -0.14 -0.56 0.00 -1.26 -5.07 121.76 114.75 2k3m s ALA 41 Ca 0.01 -3.63 -0.06 0.00 0.00 0.00 0.00 51.96 48.28 2k3m s ALA 41 Cb 0.10 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 2k3m s ALA 41 CO 0.63 -2.07 0.06 1.03 0.00 0.00 0.00 175.76 175.41 2k3m s ARG 42 N -1.01 3.56 0.00 0.00 0.52 -1.26 -4.94 118.95 115.81 2k3m s ARG 42 Ca 0.22 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.11 2k3m s ARG 42 Cb -0.13 -3.08 0.00 0.00 0.52 0.00 0.00 34.95 32.26 2k3m s ARG 42 CO -0.10 0.52 0.14 -2.13 0.02 0.00 0.00 175.30 173.74 2k3m n ARG 43 N 2.76 0.22 0.00 3.54 3.00 -1.26 -4.64 116.66 120.27 2k3m n ARG 43 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 2k3m n ARG 43 Cb 0.53 -1.18 0.00 0.00 0.00 0.00 0.00 32.46 31.81 2k3m n ARG 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k3m n GLY 44 N 0.52 1.36 3.81 5.14 0.00 -1.26 -4.71 105.19 110.05 2k3m n GLY 44 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2k3m n GLY 44 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2k3m s PHE 45 N -0.10 -0.08 0.00 1.61 -0.71 -1.26 -5.13 117.98 112.31 2k3m s PHE 45 Ca 0.00 -0.33 0.00 0.00 -1.04 0.00 0.00 56.93 55.56 2k3m s PHE 45 Cb 0.00 0.69 0.00 0.00 -1.21 0.00 0.00 43.02 42.50 2k3m s PHE 45 CO 0.00 -1.02 0.00 0.34 -1.34 0.00 0.00 175.22 173.20 2k3m n PHE 46 N -0.52 0.00 0.00 3.49 -0.00 -1.26 -5.10 117.46 114.07 2k3m n PHE 46 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.40 2k3m n PHE 46 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.08 2k3m n PHE 46 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2k3m n ARG 47 N 0.12 0.00 0.00 -4.13 5.12 -1.26 -5.02 116.66 111.49 2k3m n ARG 47 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2k3m n ARG 47 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2k3m s ASN 49 N -1.01 3.23 -1.06 0.00 4.22 -1.26 -5.07 114.94 113.99 2k3m s ASN 49 Ca 0.00 -0.74 -0.22 0.00 -2.14 0.00 0.00 52.86 49.76 2k3m s ASN 49 Cb 0.00 -0.21 0.02 0.00 1.28 0.00 0.00 41.25 42.33 2k3m s ASN 49 CO 0.00 0.17 1.67 -2.16 -2.04 0.00 0.00 177.10 174.74 2k3m s PRO 50 N -2.03 3.30 0.00 3.55 0.04 -1.26 -4.45 135.00 134.15 2k3m s PRO 50 Ca 0.13 -1.08 0.00 0.00 0.04 0.00 0.00 61.00 60.09 2k3m s PRO 50 Cb -0.10 -5.31 0.00 0.00 0.04 0.00 0.00 34.50 29.13 2k3m s PRO 50 CO 0.06 -2.68 0.00 0.39 0.04 0.00 0.00 177.00 174.80 2k3m n GLU 51 N 8.73 0.00 -1.50 4.56 4.71 -1.25 -4.89 120.64 131.00 2k3m n GLU 51 Ca 0.39 0.00 -0.46 0.00 -0.01 0.00 0.00 57.16 57.08 2k3m n GLU 51 Cb 0.49 -1.08 -0.02 0.00 -1.01 0.00 0.00 31.44 29.81 2k3m n GLU 51 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2k3m n ARG 52 N 0.00 0.73 -2.05 3.49 1.74 -1.26 -4.96 116.66 114.34 2k3m n ARG 52 Ca 0.00 0.26 -0.29 0.00 -0.77 0.00 0.00 57.85 57.05 2k3m n ARG 52 Cb 0.00 -1.46 0.05 0.00 -1.02 0.00 0.00 32.46 30.04 2k3m n ARG 52 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2k3m s ILE 53 N -1.04 3.16 -0.02 0.55 1.10 -1.26 -4.93 121.20 118.76 2k3m s ILE 53 Ca 0.61 0.20 0.01 0.00 -0.51 0.00 0.00 60.65 60.96 2k3m s ILE 53 Cb -0.80 -3.34 0.01 0.00 0.15 0.00 0.00 42.46 38.48 2k3m s ILE 53 CO 0.58 -0.42 -0.04 -1.10 -2.11 0.00 0.00 174.94 171.85 2k3m s GLN 54 N -5.29 0.54 0.03 3.50 -0.21 -1.26 -5.03 119.66 111.95 2k3m s GLN 54 Ca 0.58 -0.11 -0.04 0.00 0.02 0.00 0.00 55.36 55.81 2k3m s GLN 54 Cb -0.11 -0.57 -0.01 0.00 1.00 0.00 0.00 33.01 33.32 2k3m s GLN 54 CO 0.49 0.00 0.06 0.96 -2.12 0.00 0.00 175.29 174.68 2k3m s ILE 55 N 0.44 0.13 0.00 1.08 -5.25 -1.26 -4.86 121.20 111.48 2k3m s ILE 55 Ca -0.05 -1.07 0.00 0.00 -0.99 0.00 0.00 60.65 58.54 2k3m s ILE 55 Cb -0.09 -0.76 0.00 0.00 2.95 0.00 0.00 42.46 44.57 2k3m s ILE 55 CO -0.00 -0.59 0.00 0.61 -1.79 0.00 0.00 174.94 173.17 2k3m n GLY 56 N 0.97 0.75 3.50 6.27 0.00 -1.26 -4.94 105.19 110.48 2k3m n GLY 56 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 2k3m n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k3m s ASP 57 N -2.18 6.28 1.00 1.61 1.01 -1.26 -5.04 116.67 118.09 2k3m s ASP 57 Ca 0.00 -0.54 -0.17 0.00 0.71 0.00 0.00 52.55 52.55 2k3m s ASP 57 Cb 0.00 -2.43 0.22 0.00 1.01 0.00 0.00 42.92 41.71 2k3m s ASP 57 CO 0.00 -1.30 1.31 0.26 0.21 0.00 0.00 175.17 175.65 2k3m s TRP 58 N 4.01 1.39 -0.19 4.23 0.52 -1.26 -5.07 118.94 122.57 2k3m s TRP 58 Ca 0.28 0.32 -0.16 0.00 0.02 0.00 0.00 56.10 56.56 2k3m s TRP 58 Cb -0.14 -4.07 -0.07 0.00 -1.15 0.00 0.00 33.47 28.04 2k3m s TRP 58 CO 0.16 -2.85 -0.33 2.89 0.02 0.00 0.00 176.95 176.85 2k3m n ARG 59 N -3.91 0.51 0.07 4.98 0.00 -1.26 -4.56 116.66 112.50 2k3m n ARG 59 Ca 0.15 0.21 0.13 0.00 -0.00 0.00 0.00 57.85 58.35 2k3m n ARG 59 Cb 0.59 -1.39 0.45 0.00 -0.00 0.00 0.00 32.46 32.11 2k3m n ARG 59 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 2k3m n TYR 60 N -4.33 0.67 0.63 2.89 9.36 -1.26 -2.96 117.16 122.16 2k3m n TYR 60 Ca -0.25 0.19 0.13 0.00 3.32 0.00 0.00 57.90 61.30 2k3m n TYR 60 Cb 0.60 -0.81 0.42 0.00 -0.63 0.00 0.00 39.34 38.92 2k3m n TYR 60 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2k3m n GLU 61 N -2.05 0.25 -0.31 2.98 1.02 -1.26 -3.78 120.64 117.49 2k3m n GLU 61 Ca 0.06 0.22 0.15 0.00 -0.02 0.00 0.00 57.16 57.56 2k3m n GLU 61 Cb 0.41 -1.80 0.32 0.00 -0.02 0.00 0.00 31.44 30.34 2k3m n GLU 61 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 2k3m h VAL 62 N 0.00 0.24 -0.14 2.62 -1.51 -1.77 2.83 116.25 118.52 2k3m h VAL 62 Ca 0.00 -0.06 -0.05 0.00 -1.23 0.00 0.00 66.70 65.36 2k3m h VAL 62 Cb 0.71 0.07 -0.00 0.00 -2.13 0.00 0.00 31.29 29.93 2k3m h VAL 62 CO 0.00 0.03 -0.11 0.00 -1.23 0.00 0.00 177.57 176.26 2k3m h ALA 63 N 1.83 0.20 0.59 5.19 0.00 -1.84 1.52 119.26 126.76 2k3m h ALA 63 Ca 0.59 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2k3m h ALA 63 Cb 1.23 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2k3m h ALA 63 CO -0.71 0.04 -0.49 1.25 0.00 0.00 0.00 179.25 179.35 2k3m h HIS 64 N -0.05 -1.34 0.33 0.00 6.17 0.27 -1.45 115.15 119.09 2k3m h HIS 64 Ca 0.03 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.09 2k3m h HIS 64 Cb 0.61 0.50 0.00 0.00 2.52 0.00 0.00 27.41 31.05 2k3m h HIS 64 CO 0.08 -0.68 -0.16 0.22 0.71 0.00 0.00 177.93 178.10 2k3m h ASP 65 N -1.05 -0.38 0.00 3.26 3.58 0.40 -2.80 116.42 119.43 2k3m h ASP 65 Ca -0.08 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.22 2k3m h ASP 65 Cb 0.89 0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.03 2k3m h ASP 65 CO -0.00 -0.03 0.00 0.61 -2.88 0.00 0.00 179.24 176.93 2k3m n GLY 66 N -0.43 0.45 0.00 -0.78 0.00 0.52 -3.47 105.19 101.48 2k3m n GLY 66 Ca -0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.03 2k3m n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3m n ARG 67 N 1.17 0.79 -0.47 1.61 5.12 -0.55 -4.06 116.66 120.26 2k3m n ARG 67 Ca 0.00 0.00 0.36 0.00 -1.93 0.00 0.00 57.85 56.28 2k3m n ARG 67 Cb 0.08 -1.41 0.55 0.00 -1.16 0.00 0.00 32.46 30.52 2k3m n ARG 67 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2k3m n LEU 68 N -0.91 0.00 0.21 0.55 4.32 -1.23 0.38 117.00 120.33 2k3m n LEU 68 Ca 0.16 0.67 -0.08 0.00 -0.02 0.00 0.00 56.01 56.74 2k3m n LEU 68 Cb 0.07 -0.33 -0.04 0.00 -1.62 0.00 0.00 43.42 41.50 2k3m n LEU 68 CO 0.12 -0.67 0.47 0.25 -1.22 0.00 0.00 177.39 176.33 2k3m h LEU 69 N 0.00 -0.46 0.03 2.23 5.85 -1.93 0.29 115.31 121.33 2k3m h LEU 69 Ca 0.63 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.36 2k3m h LEU 69 Cb 2.58 0.12 0.00 0.00 0.37 0.00 0.00 40.66 43.73 2k3m h LEU 69 CO -0.01 -0.31 -0.02 0.00 -0.34 0.00 0.00 178.44 177.77 2k3m h ALA 70 N -1.71 -0.25 0.00 1.25 0.00 0.67 -3.25 119.26 115.98 2k3m h ALA 70 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k3m h ALA 70 Cb 0.42 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k3m h ALA 70 CO 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.10 2k3m n ALA 71 N -2.11 0.54 0.00 0.00 0.00 0.64 -4.46 120.51 115.12 2k3m n ALA 71 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2k3m n ALA 71 Cb 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.11 2k3m n ALA 71 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2k3m n HIS 72 N -0.55 0.00 -0.01 0.00 1.44 0.09 -0.10 115.22 116.09 2k3m n HIS 72 Ca 0.00 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.53 2k3m n HIS 72 Cb 0.00 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.02 2k3m n HIS 72 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 2k3m h MET 73 N 0.00 0.63 -0.96 -1.40 2.86 -1.83 -3.30 114.93 110.94 2k3m h MET 73 Ca 0.00 -0.57 0.29 0.00 -2.06 0.00 0.00 59.70 57.36 2k3m h MET 73 Cb 0.00 0.13 -0.15 0.00 0.06 0.00 0.00 31.60 31.65 2k3m h MET 73 CO 0.00 1.18 0.44 -0.39 1.06 0.00 0.00 176.91 179.20 2k3m h VAL 74 N 0.28 0.29 0.00 -2.22 -1.51 -1.25 0.59 116.25 112.43 2k3m h VAL 74 Ca -0.07 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 2k3m h VAL 74 Cb 1.37 -0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.53 2k3m h VAL 74 CO 0.15 0.05 0.86 -3.20 -1.23 0.00 0.00 177.57 174.19 2k3m n ASN 75 N -5.13 0.00 0.20 4.19 5.15 0.86 -0.53 115.26 120.00 2k3m n ASN 75 Ca 0.28 0.38 0.02 0.00 -0.60 0.00 0.00 54.58 54.66 2k3m n ASN 75 Cb 0.88 0.00 0.13 0.00 -0.53 0.00 0.00 39.78 40.26 2k3m n ASN 75 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2k3m h GLY 76 N 0.00 0.00 0.25 8.20 0.00 -0.04 1.37 103.07 112.86 2k3m h GLY 76 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 2k3m h GLY 76 CO 0.00 0.00 -1.55 0.16 0.00 0.00 0.00 176.54 175.15 2k3m h ILE 77 N 0.00 0.80 -1.14 2.60 -0.00 -1.06 -3.35 117.51 115.36 2k3m h ILE 77 Ca 0.00 -2.25 0.33 0.00 -0.00 0.00 0.00 64.86 62.94 2k3m h ILE 77 Cb 1.34 2.34 -0.05 0.00 -0.00 0.00 0.00 36.82 40.45 2k3m h ILE 77 CO 0.00 0.55 0.97 0.52 -0.00 0.00 0.00 178.15 180.18 2k3m n VAL 78 N -4.06 0.00 0.33 0.16 0.31 0.47 0.61 118.33 116.15 2k3m n VAL 78 Ca -0.32 1.00 0.11 0.00 -0.01 0.00 0.00 64.34 65.13 2k3m n VAL 78 Cb 0.83 -1.72 0.02 0.00 -0.91 0.00 0.00 33.84 32.06 2k3m n VAL 78 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2k3m n ILE 79 N -3.08 0.37 0.30 2.52 -0.00 -1.24 -2.60 119.36 115.62 2k3m n ILE 79 Ca 0.26 -0.40 0.10 0.00 -0.00 0.00 0.00 62.75 62.72 2k3m n ILE 79 Cb 1.31 -0.09 0.48 0.00 -0.00 0.00 0.00 39.64 41.34 2k3m n ILE 79 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k3m n ALA 80 N -2.01 1.40 0.00 -1.28 0.00 2.58 -1.53 120.51 119.68 2k3m n ALA 80 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2k3m n ALA 80 Cb 0.49 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2k3m n ALA 80 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k3m n GLU 81 N -2.14 0.00 0.43 0.00 1.02 -1.17 -4.58 120.64 114.19 2k3m n GLU 81 Ca 0.01 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.98 2k3m n GLU 81 Cb 0.14 -0.54 -0.08 0.00 -0.02 0.00 0.00 31.44 30.95 2k3m n GLU 81 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2k3m h ASP 82 N 0.00 -0.92 -0.81 1.62 5.19 -1.57 -2.98 116.42 116.96 2k3m h ASP 82 Ca 0.00 0.03 0.19 0.00 -0.62 0.00 0.00 57.03 56.63 2k3m h ASP 82 Cb 0.86 0.24 -0.12 0.00 0.18 0.00 0.00 39.33 40.49 2k3m h ASP 82 CO 0.00 -0.66 0.20 0.00 -3.12 0.00 0.00 179.24 175.66 2k3m h ALA 83 N -1.50 1.09 -0.44 3.45 0.00 -1.48 -2.75 119.26 117.63 2k3m h ALA 83 Ca -0.11 0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.13 2k3m h ALA 83 Cb 0.83 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 2k3m h ALA 83 CO 0.18 -0.39 0.07 -0.11 0.00 0.00 0.00 179.25 179.00 2k3m n LEU 84 N -5.19 0.00 -0.11 0.00 7.94 -1.13 0.24 117.00 118.76 2k3m n LEU 84 Ca 0.17 0.75 -0.23 0.00 -1.11 0.00 0.00 56.01 55.59 2k3m n LEU 84 Cb 0.56 -0.30 -0.11 0.00 0.53 0.00 0.00 43.42 44.10 2k3m n LEU 84 CO 0.09 -0.78 -0.68 2.30 -1.11 0.00 0.00 177.39 177.21 2k3m n ILE 85 N -4.35 1.54 -0.33 1.96 -5.35 -1.05 -4.20 119.36 107.58 2k3m n ILE 85 Ca 0.12 -0.10 0.25 0.00 -0.27 0.00 0.00 62.75 62.75 2k3m n ILE 85 Cb 0.40 -2.01 0.54 0.00 -1.74 0.00 0.00 39.64 36.83 2k3m n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k3m h ALA 86 N -0.56 2.33 -0.09 -1.28 0.00 0.57 1.25 119.26 121.48 2k3m h ALA 86 Ca -0.41 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.59 2k3m h ALA 86 Cb 1.37 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 2k3m h ALA 86 CO -0.24 -0.76 0.14 0.93 0.00 0.00 0.00 179.25 179.33 2k3m h GLU 87 N 0.34 0.00 0.00 0.00 4.39 0.30 0.58 114.58 120.19 2k3m h GLU 87 Ca 0.62 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.32 2k3m h GLU 87 Cb 1.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.31 2k3m h GLU 87 CO -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.56 2k3m n ALA 88 N -2.21 1.90 -1.46 3.43 0.00 0.43 -2.51 120.51 120.09 2k3m n ALA 88 Ca -0.01 -0.07 -0.27 0.00 0.00 0.00 0.00 53.44 53.09 2k3m n ALA 88 Cb 0.24 -1.31 0.10 0.00 0.00 0.00 0.00 19.45 18.48 2k3m n ALA 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k3m n VAL 89 N -1.48 3.21 -0.14 0.00 0.31 0.20 -4.67 118.33 115.78 2k3m n VAL 89 Ca 0.05 -2.97 -0.11 0.00 -0.01 0.00 0.00 64.34 61.30 2k3m n VAL 89 Cb 0.22 -0.92 -0.01 0.00 -0.91 0.00 0.00 33.84 32.21 2k3m n VAL 89 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2k3m h GLY 90 N 1.73 0.80 0.23 2.92 0.00 -1.62 -2.98 103.07 104.15 2k3m h GLY 90 Ca 0.52 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2k3m h GLY 90 CO 1.20 0.56 0.68 -2.55 0.00 0.00 0.00 176.54 176.43 2k3m h PRO 91 N 0.56 0.00 0.00 4.80 0.11 -1.88 0.60 132.00 136.18 2k3m h PRO 91 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2k3m h PRO 91 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 2k3m h PRO 91 CO 0.03 0.00 0.00 1.12 -0.21 0.00 0.00 178.00 178.94 2k3m h HIS 92 N 0.00 0.00 0.30 0.65 2.07 -1.92 -1.26 115.15 115.00 2k3m h HIS 92 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 2k3m h HIS 92 Cb 1.36 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.34 2k3m h HIS 92 CO 0.00 0.00 -0.15 1.37 -3.07 0.00 0.00 177.93 176.08 2k3m h LEU 93 N 0.00 -0.35 0.53 6.12 8.10 -0.05 0.14 115.31 129.81 2k3m h LEU 93 Ca 0.00 -0.09 -0.02 0.00 0.11 0.00 0.00 57.88 57.88 2k3m h LEU 93 Cb 0.02 0.09 -0.00 0.00 -0.44 0.00 0.00 40.66 40.33 2k3m h LEU 93 CO 0.00 0.12 -0.29 0.00 -4.11 0.00 0.00 178.44 174.16 2k3m h ALA 94 N -0.90 -0.77 0.25 0.17 0.00 -1.60 -2.73 119.26 113.69 2k3m h ALA 94 Ca -0.04 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2k3m h ALA 94 Cb 0.41 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2k3m h ALA 94 CO 0.07 -0.94 -0.50 -0.09 0.00 0.00 0.00 179.25 177.80 2k3m h ARG 95 N -0.76 -0.79 0.00 0.00 2.43 -1.39 0.75 114.38 114.62 2k3m h ARG 95 Ca -0.07 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2k3m h ARG 95 Cb 0.61 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2k3m h ARG 95 CO 0.09 -0.53 0.26 0.00 -1.51 0.00 0.00 179.97 178.29 2k3m n ALA 96 N -2.87 0.36 0.00 2.80 0.00 0.50 -4.29 120.51 117.00 2k3m n ALA 96 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2k3m n ALA 96 Cb 0.42 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2k3m n ALA 96 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k3m n LEU 97 N -1.04 0.00 0.25 0.00 0.00 0.26 0.48 117.00 116.95 2k3m n LEU 97 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 56.01 56.12 2k3m n LEU 97 Cb 0.26 0.00 0.59 0.00 0.00 0.00 0.00 43.42 44.27 2k3m n LEU 97 CO 0.00 0.00 0.97 1.23 0.00 0.00 0.00 177.39 179.59 2k3m h GLY 98 N 0.00 0.00 2.00 -3.96 0.00 -1.85 3.51 103.07 102.77 2k3m h GLY 98 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 2k3m h GLY 98 CO 0.00 0.00 -0.37 -1.61 0.00 0.00 0.00 176.54 174.56 2k3m h GLN 99 N 0.00 0.00 -0.47 4.80 5.75 1.05 -2.74 115.11 123.51 2k3m h GLN 99 Ca 0.00 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 2k3m h GLN 99 Cb 0.64 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.17 2k3m h GLN 99 CO 0.00 0.37 0.16 0.97 -2.65 0.00 0.00 178.83 177.68 2k3m h ILE 100 N 0.00 1.19 0.81 2.39 2.10 0.64 -2.93 117.51 121.70 2k3m h ILE 100 Ca -0.00 -0.61 -0.04 0.00 1.08 0.00 0.00 64.86 65.28 2k3m h ILE 100 Cb 0.98 0.66 0.01 0.00 -1.09 0.00 0.00 36.82 37.38 2k3m h ILE 100 CO 0.05 0.23 -0.39 1.62 -1.08 0.00 0.00 178.15 178.58 2k3m h VAL 101 N 0.67 0.14 -0.81 2.19 3.04 -1.38 -0.55 116.25 119.55 2k3m h VAL 101 Ca 0.16 -0.11 0.23 0.00 -1.01 0.00 0.00 66.70 65.97 2k3m h VAL 101 Cb 0.18 0.16 -0.03 0.00 -2.01 0.00 0.00 31.29 29.59 2k3m h VAL 101 CO -0.01 0.01 1.07 0.00 -1.01 0.00 0.00 177.57 177.62 2k3m h ARG 103 N 0.00 0.10 -0.60 0.00 2.43 -1.38 -2.90 114.38 112.03 2k3m h ARG 103 Ca 0.38 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2k3m h ARG 103 Cb 2.51 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 32.12 2k3m h ARG 103 CO -0.00 0.78 0.00 0.98 -1.51 0.00 0.00 179.97 180.21 2k3m n TYR 104 N -3.22 1.77 0.00 2.20 4.19 0.77 -4.83 117.16 118.04 2k3m n TYR 104 Ca -0.19 -0.68 0.00 0.00 3.31 0.00 0.00 57.90 60.34 2k3m n TYR 104 Cb 1.04 -0.38 0.00 0.00 0.49 0.00 0.00 39.34 40.49 2k3m n TYR 104 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2k3m n GLY 105 N 0.82 -1.87 2.25 2.98 0.00 0.75 -4.95 105.19 105.17 2k3m n GLY 105 Ca 0.27 0.61 -0.01 0.00 0.00 0.00 0.00 46.02 46.89 2k3m n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3m n ALA 106 N -1.36 -1.92 0.01 4.61 0.00 -1.09 -4.91 120.51 115.85 2k3m n ALA 106 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2k3m n ALA 106 Cb 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.41 2k3m n ALA 106 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2k3m h THR 107 N 0.14 0.75 -0.03 0.00 2.02 -1.93 -3.34 112.91 110.51 2k3m h THR 107 Ca -0.03 -1.31 -0.03 0.00 0.77 0.00 0.00 66.41 65.80 2k3m h THR 107 Cb 1.02 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 2k3m h THR 107 CO 0.15 0.23 -0.11 -0.37 0.37 0.00 0.00 175.52 175.79 2k3m h VAL 108 N -0.95 1.46 -0.96 3.16 -1.51 -1.99 -3.31 116.25 112.14 2k3m h VAL 108 Ca -0.01 -1.54 0.28 0.00 -1.23 0.00 0.00 66.70 64.20 2k3m h VAL 108 Cb 0.48 2.39 -0.17 0.00 -2.13 0.00 0.00 31.29 31.86 2k3m h VAL 108 CO 0.02 0.42 0.11 -0.29 -1.23 0.00 0.00 177.57 176.60 2k3m h ILE 109 N -0.43 0.07 0.00 7.19 2.10 -1.96 3.08 117.51 127.56 2k3m h ILE 109 Ca -0.00 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.92 2k3m h ILE 109 Cb 0.74 0.03 0.00 0.00 -1.09 0.00 0.00 36.82 36.50 2k3m h ILE 109 CO 0.02 0.01 0.00 1.55 -1.08 0.00 0.00 178.15 178.65 2k3m h PRO 110 N 0.04 0.00 0.34 2.19 0.13 -1.68 -3.08 132.00 129.94 2k3m h PRO 110 Ca 0.61 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.72 2k3m h PRO 110 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2k3m h PRO 110 CO -0.86 0.00 -0.16 -0.91 -0.23 0.00 0.00 178.00 175.84 2k3m h ASN 111 N 0.00 -0.39 -0.33 1.44 4.21 0.55 3.28 115.58 124.34 2k3m h ASN 111 Ca 0.00 0.01 0.09 0.00 1.21 0.00 0.00 56.30 57.62 2k3m h ASN 111 Cb 0.14 0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.43 2k3m h ASN 111 CO 0.00 -0.26 0.66 0.16 -1.29 0.00 0.00 177.43 176.70 2k3m h ILE 112 N -0.50 0.11 0.00 2.81 3.07 -1.53 1.09 117.51 122.57 2k3m h ILE 112 Ca -0.05 0.00 -0.07 0.00 1.55 0.00 0.00 64.86 66.29 2k3m h ILE 112 Cb 0.35 0.41 -0.01 0.00 -0.27 0.00 0.00 36.82 37.30 2k3m h ILE 112 CO 0.08 0.00 -0.46 0.78 -1.05 0.00 0.00 178.15 177.50 2k3m h ASN 113 N 0.00 0.00 0.28 2.16 4.21 -1.25 0.81 115.58 121.79 2k3m h ASN 113 Ca 0.15 -0.49 0.00 0.00 1.21 0.00 0.00 56.30 57.18 2k3m h ASN 113 Cb 1.47 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.64 2k3m h ASN 113 CO -0.00 1.00 -0.31 0.00 -1.29 0.00 0.00 177.43 176.83 2k3m h ALA 114 N -0.51 -0.65 0.00 -0.83 0.00 1.08 -2.31 119.26 116.04 2k3m h ALA 114 Ca -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2k3m h ALA 114 Cb 0.81 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2k3m h ALA 114 CO -0.06 -0.90 -0.02 0.00 0.00 0.00 0.00 179.25 178.27 2k3m h ALA 115 N -0.08 0.00 -0.22 0.00 0.00 0.76 -3.38 119.26 116.34 2k3m h ALA 115 Ca -0.01 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 2k3m h ALA 115 Cb 0.59 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.41 2k3m h ALA 115 CO -0.08 0.02 -0.67 0.82 0.00 0.00 0.00 179.25 179.33 2k3m h ILE 116 N -0.90 1.27 0.14 0.00 1.08 -1.13 -3.28 117.51 114.70 2k3m h ILE 116 Ca 0.00 -1.86 0.01 0.00 -0.39 0.00 0.00 64.86 62.62 2k3m h ILE 116 Cb 0.02 1.82 -0.03 0.00 -3.07 0.00 0.00 36.82 35.55 2k3m h ILE 116 CO 0.00 0.60 -0.38 -0.08 -0.69 0.00 0.00 178.15 177.60 2k3m h GLU 117 N 0.61 -0.56 0.00 2.37 4.81 0.12 1.35 114.58 123.26 2k3m h GLU 117 Ca -0.02 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2k3m h GLU 117 Cb 1.30 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.80 2k3m h GLU 117 CO 0.14 -0.38 0.16 0.28 -0.73 0.00 0.00 179.01 178.49 2k3m n VAL 118 N -4.64 0.90 -0.09 0.32 0.31 -1.21 -2.04 118.33 111.88 2k3m n VAL 118 Ca -0.07 0.71 -0.12 0.00 -0.01 0.00 0.00 64.34 64.86 2k3m n VAL 118 Cb 0.31 -1.71 -0.05 0.00 -0.91 0.00 0.00 33.84 31.48 2k3m n VAL 118 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2k3m n LEU 119 N -2.05 1.85 0.01 7.52 7.94 0.20 -4.73 117.00 127.75 2k3m n LEU 119 Ca -0.01 0.51 -0.13 0.00 -1.11 0.00 0.00 56.01 55.27 2k3m n LEU 119 Cb 0.18 -0.87 -0.09 0.00 0.53 0.00 0.00 43.42 43.17 2k3m n LEU 119 CO 0.07 -0.17 0.64 1.23 -1.11 0.00 0.00 177.39 178.05 2k3m h GLY 120 N -1.00 -0.04 0.00 -3.96 0.00 0.19 -3.48 103.07 94.78 2k3m h GLY 120 Ca -0.15 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2k3m h GLY 120 CO -0.09 -0.02 0.00 -0.37 0.00 0.00 0.00 176.54 176.06 2k3m n THR 121 N -4.90 0.00 0.00 4.70 5.66 -0.86 -4.96 114.28 113.92 2k3m n THR 121 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 2k3m n THR 121 Cb 0.23 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.01 2k3m n THR 121 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k3m n GLY 122 N 0.00 2.04 2.25 1.09 0.00 -1.24 -4.86 105.19 104.46 2k3m n GLY 122 Ca 0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 2k3m n GLY 122 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k3m n THR 123 N 0.00 0.00 -3.83 2.61 -1.04 -1.26 -4.81 114.28 105.94 2k3m n THR 123 Ca 0.00 -0.29 -0.12 0.00 -2.04 0.00 0.00 64.05 61.60 2k3m n THR 123 Cb 0.00 -0.03 -0.11 0.00 -1.82 0.00 0.00 70.33 68.38 2k3m n THR 123 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2k3m s ASP 124 N 0.53 -0.08 -0.02 8.00 1.01 -1.26 -5.11 116.67 119.74 2k3m s ASP 124 Ca 0.85 0.05 -0.21 0.00 0.71 0.00 0.00 52.55 53.95 2k3m s ASP 124 Cb -0.57 0.29 0.04 0.00 1.01 0.00 0.00 42.92 43.69 2k3m s ASP 124 CO 0.36 -0.26 0.45 -0.72 0.21 0.00 0.00 175.17 175.21 2k3m s TYR 125 N -0.81 -0.36 0.00 4.23 1.13 -1.26 -5.18 117.35 115.10 2k3m s TYR 125 Ca -0.09 0.57 -0.14 0.00 -1.41 0.00 0.00 57.07 56.00 2k3m s TYR 125 Cb -0.05 0.22 0.02 0.00 -1.10 0.00 0.00 41.96 41.05 2k3m s TYR 125 CO 0.01 -0.49 0.29 0.50 -2.51 0.00 0.00 175.55 173.35 2k3m s ARG 126 N -1.42 0.68 0.00 -3.49 6.06 -1.26 -5.27 118.95 114.26 2k3m s ARG 126 Ca -0.12 -0.30 0.00 0.00 -2.50 0.00 0.00 55.73 52.81 2k3m s ARG 126 Cb -0.03 0.30 0.00 0.00 0.06 0.00 0.00 34.95 35.28 2k3m s ARG 126 CO 0.05 -0.19 0.00 1.19 -2.50 0.00 0.00 175.30 173.85