#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 0.00 0.00 7.83 2.88 -1.26 -4.78 113.62 118.29 2k3m n SER 2 Ca 0.00 -0.94 0.00 0.00 -1.33 0.00 0.00 58.87 56.60 2k3m n SER 2 Cb 0.00 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2k3m n SER 2 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k3m n ASP 3 N -0.50 0.00 -3.59 -3.46 8.00 -1.26 -5.19 116.55 110.56 2k3m n ASP 3 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 2k3m n ASP 3 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 2k3m n ASP 3 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2k3m s PHE 4 N -1.28 -0.46 -0.06 1.24 5.36 -1.26 -5.18 117.98 116.34 2k3m s PHE 4 Ca 0.00 0.64 -0.14 0.00 -0.96 0.00 0.00 56.93 56.47 2k3m s PHE 4 Cb 0.00 0.32 0.03 0.00 -0.34 0.00 0.00 43.02 43.03 2k3m s PHE 4 CO 0.00 -0.59 0.34 -0.51 -1.46 0.00 0.00 175.22 173.00 2k3m s ASP 5 N -1.62 -0.28 0.80 6.13 1.01 -1.26 -5.05 116.67 116.40 2k3m s ASP 5 Ca -0.08 0.35 -0.06 0.00 0.71 0.00 0.00 52.55 53.46 2k3m s ASP 5 Cb -0.01 0.48 0.15 0.00 1.01 0.00 0.00 42.92 44.55 2k3m s ASP 5 CO 0.03 -0.33 1.11 -0.89 0.21 0.00 0.00 175.17 175.29 2k3m s THR 6 N -0.75 2.09 0.09 -1.27 2.01 -1.26 -4.52 115.64 112.03 2k3m s THR 6 Ca -0.08 -0.39 -0.34 0.00 0.31 0.00 0.00 61.69 61.19 2k3m s THR 6 Cb -0.04 -2.70 -0.16 0.00 0.01 0.00 0.00 72.50 69.61 2k3m s THR 6 CO 0.03 0.00 1.59 -0.08 -0.69 0.00 0.00 174.62 175.47 2k3m h GLU 7 N -0.91 -0.89 0.31 4.92 4.22 -2.00 8.84 114.58 129.07 2k3m h GLU 7 Ca -0.39 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.11 2k3m h GLU 7 Cb 1.26 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.68 2k3m h GLU 7 CO 0.40 -0.60 -0.39 -0.09 -2.18 0.00 0.00 179.01 176.15 2k3m h ARG 8 N -0.93 -0.72 0.28 1.92 2.43 -1.95 1.23 114.38 116.65 2k3m h ARG 8 Ca -0.06 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2k3m h ARG 8 Cb 0.79 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 2k3m h ARG 8 CO -0.01 -0.48 -0.14 -0.39 -1.51 0.00 0.00 179.97 177.44 2k3m h VAL 9 N -0.75 0.74 0.36 0.20 -1.51 -1.91 -2.07 116.25 111.31 2k3m h VAL 9 Ca -0.01 -0.57 -0.02 0.00 -1.23 0.00 0.00 66.70 64.87 2k3m h VAL 9 Cb 0.70 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 2k3m h VAL 9 CO -0.11 0.11 -0.17 -1.28 -1.23 0.00 0.00 177.57 174.89 2k3m h SER 10 N -0.70 -0.41 0.76 4.19 0.87 1.92 -2.57 113.55 117.62 2k3m h SER 10 Ca -0.04 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 2k3m h SER 10 Cb 0.48 0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.55 2k3m h SER 10 CO 0.06 -0.20 -0.37 -0.09 -0.53 0.00 0.00 176.83 175.71 2k3m h ARG 11 N -0.67 -0.98 -0.61 2.24 9.65 0.15 2.03 114.38 126.18 2k3m h ARG 11 Ca -0.05 0.07 0.12 0.00 -1.10 0.00 0.00 59.98 59.01 2k3m h ARG 11 Cb 0.37 0.22 -0.09 0.00 -1.39 0.00 0.00 29.97 29.08 2k3m h ARG 11 CO 0.08 -0.64 0.13 0.00 2.80 0.00 0.00 179.97 182.34 2k3m h ALA 12 N -1.11 0.72 0.09 2.80 0.00 -0.35 2.29 119.26 123.70 2k3m h ALA 12 Ca -0.10 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2k3m h ALA 12 Cb 0.80 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2k3m h ALA 12 CO 0.17 -0.31 -0.04 0.28 0.00 0.00 0.00 179.25 179.35 2k3m h VAL 13 N 0.26 0.98 0.56 0.00 2.07 -1.35 1.93 116.25 120.70 2k3m h VAL 13 Ca 0.32 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 2k3m h VAL 13 Cb 0.48 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2k3m h VAL 13 CO -0.41 0.06 -0.38 0.00 0.02 0.00 0.00 177.57 176.86 2k3m h ALA 14 N 0.67 -1.16 -0.04 1.67 0.00 0.66 4.34 119.26 125.40 2k3m h ALA 14 Ca -0.01 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.75 2k3m h ALA 14 Cb 0.20 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 2k3m h ALA 14 CO 0.02 -1.14 -0.25 0.00 0.00 0.00 0.00 179.25 177.88 2k3m h ALA 15 N -1.29 -0.31 0.64 0.00 0.00 0.37 2.28 119.26 120.96 2k3m h ALA 15 Ca -0.07 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2k3m h ALA 15 Cb 0.73 0.46 0.01 0.00 0.00 0.00 0.00 17.79 18.98 2k3m h ALA 15 CO 0.05 -0.74 -0.31 0.00 0.00 0.00 0.00 179.25 178.25 2k3m h ALA 16 N 0.49 -0.87 0.16 0.00 0.00 0.32 3.10 119.26 122.47 2k3m h ALA 16 Ca 0.07 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2k3m h ALA 16 Cb 0.47 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2k3m h ALA 16 CO -0.25 -0.89 -0.26 1.25 0.00 0.00 0.00 179.25 179.10 2k3m h LEU 17 N -1.06 -0.72 0.45 0.00 6.46 0.87 1.52 115.31 122.83 2k3m h LEU 17 Ca -0.09 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 2k3m h LEU 17 Cb 0.71 0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.91 2k3m h LEU 17 CO 0.15 -0.36 -0.22 -0.37 -0.62 0.00 0.00 178.44 177.02 2k3m h VAL 18 N -0.49 0.23 -0.53 1.05 -1.51 0.39 -3.33 116.25 112.05 2k3m h VAL 18 Ca 0.02 -0.57 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 2k3m h VAL 18 Cb 0.50 0.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.01 2k3m h VAL 18 CO -0.12 0.05 0.00 0.61 -1.23 0.00 0.00 177.57 176.88 2k3m n GLY 19 N -0.02 -2.73 0.08 5.19 0.00 1.03 -4.81 105.19 103.93 2k3m n GLY 19 Ca -0.09 -0.91 -0.06 0.00 0.00 0.00 0.00 46.02 44.97 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 0.88 1.61 0.13 -1.74 -3.31 132.00 129.57 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 0.74 -0.42 0.78 -0.23 0.00 0.00 178.00 178.86 2k3m h GLY 21 N 3.26 -1.23 0.57 1.56 0.00 -1.82 4.65 103.07 110.07 2k3m h GLY 21 Ca -0.10 0.46 0.04 0.00 0.00 0.00 0.00 47.33 47.73 2k3m h GLY 21 CO 0.10 -0.45 -0.11 -1.33 0.00 0.00 0.00 176.54 174.76 2k3m h GLY 22 N -1.29 -0.02 1.75 4.60 0.00 0.19 0.43 103.07 108.73 2k3m h GLY 22 Ca -0.12 0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 2k3m h GLY 22 CO 0.20 -0.12 0.15 -2.08 0.00 0.00 0.00 176.54 174.69 2k3m h VAL 23 N -0.13 1.08 0.59 4.60 2.07 -1.28 -0.40 116.25 122.78 2k3m h VAL 23 Ca 0.08 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 2k3m h VAL 23 Cb 0.24 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2k3m h VAL 23 CO -0.20 0.08 -0.30 0.00 0.02 0.00 0.00 177.57 177.17 2k3m h ALA 24 N 1.82 -1.20 -0.51 1.67 0.00 1.36 0.32 119.26 122.72 2k3m h ALA 24 Ca 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2k3m h ALA 24 Cb -0.00 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2k3m h ALA 24 CO -0.02 -1.15 0.25 -0.07 0.00 0.00 0.00 179.25 178.27 2k3m h LEU 25 N -0.82 0.66 0.77 0.00 3.38 -1.03 0.22 115.31 118.50 2k3m h LEU 25 Ca -0.08 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2k3m h LEU 25 Cb 0.63 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2k3m h LEU 25 CO 0.12 0.59 -0.48 0.58 0.09 0.00 0.00 178.44 179.34 2k3m h VAL 26 N 0.67 0.00 -0.60 1.22 2.07 -1.05 0.51 116.25 119.08 2k3m h VAL 26 Ca 0.18 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 2k3m h VAL 26 Cb 0.10 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.84 2k3m h VAL 26 CO -0.02 0.00 0.37 1.62 0.02 0.00 0.00 177.57 179.55 2k3m h VAL 27 N -1.18 1.16 0.46 2.57 3.04 -0.32 0.45 116.25 122.44 2k3m h VAL 27 Ca -0.10 -0.35 -0.02 0.00 -1.01 0.00 0.00 66.70 65.22 2k3m h VAL 27 Cb 0.94 0.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 2k3m h VAL 27 CO 0.10 0.17 -0.22 0.50 -1.01 0.00 0.00 177.57 177.11 2k3m h LYS 28 N 0.81 -0.59 -0.22 4.17 3.64 -0.29 0.77 116.57 124.87 2k3m h LYS 28 Ca 0.22 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2k3m h LYS 28 Cb -0.05 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2k3m h LYS 28 CO -0.04 -0.29 0.13 0.28 -2.27 0.00 0.00 179.45 177.26 2k3m h VAL 29 N -0.90 1.09 0.68 2.00 2.07 0.29 0.77 116.25 122.26 2k3m h VAL 29 Ca -0.06 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2k3m h VAL 29 Cb 0.58 0.86 0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2k3m h VAL 29 CO 0.10 0.09 -0.33 0.00 0.02 0.00 0.00 177.57 177.45 2k3m h ALA 31 N -1.29 -0.13 -3.21 0.00 0.00 0.57 -3.48 119.26 111.72 2k3m h ALA 31 Ca -0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k3m h ALA 31 Cb 0.70 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2k3m h ALA 31 CO 0.15 -0.56 -0.00 0.41 0.00 0.00 0.00 179.25 179.25 2k3m n GLY 32 N -1.09 -0.34 0.73 0.00 0.00 0.27 -4.83 105.19 99.93 2k3m n GLY 32 Ca -0.08 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2k3m n GLY 32 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k3m n LEU 33 N -1.09 -0.97 0.17 0.99 0.00 -1.25 -4.92 117.00 109.93 2k3m n LEU 33 Ca -0.00 0.00 0.18 0.00 0.00 0.00 0.00 56.01 56.19 2k3m n LEU 33 Cb 0.50 -0.48 0.67 0.00 0.00 0.00 0.00 43.42 44.11 2k3m n LEU 33 CO 0.05 0.00 1.15 -0.65 0.00 0.00 0.00 177.39 177.94 2k3m h PRO 34 N 0.00 0.00 0.73 1.96 0.11 -1.88 -2.48 132.00 130.45 2k3m h PRO 34 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 2k3m h PRO 34 Cb 0.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 2k3m h PRO 34 CO 0.00 0.00 -0.45 0.78 -0.21 0.00 0.00 178.00 178.12 2k3m h GLY 35 N 0.00 -1.25 -1.89 -0.55 0.00 -1.96 -3.43 103.07 93.98 2k3m h GLY 35 Ca 0.14 0.51 -0.44 0.00 0.00 0.00 0.00 47.33 47.54 2k3m h GLY 35 CO -0.00 -0.43 -0.06 0.54 0.00 0.00 0.00 176.54 176.59 2k3m s VAL 36 N -5.62 2.62 0.00 4.60 0.11 -0.93 -4.95 120.40 116.22 2k3m s VAL 36 Ca -0.17 -0.75 0.00 0.00 -2.93 0.00 0.00 61.98 58.13 2k3m s VAL 36 Cb 0.03 -2.87 0.00 0.00 -1.53 0.00 0.00 36.38 32.00 2k3m s VAL 36 CO 0.54 0.00 0.00 -0.38 -3.33 0.00 0.00 175.10 171.93 2k3m n ILE 37 N -2.31 0.00 -3.81 7.04 2.08 -1.26 -4.80 119.36 116.31 2k3m n ILE 37 Ca 0.10 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.27 2k3m n ILE 37 Cb 0.60 0.00 -0.15 0.00 -0.75 0.00 0.00 39.64 39.34 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 2k3m s HIS 38 N 0.00 0.02 -0.35 1.39 3.76 -1.26 -5.09 115.29 113.76 2k3m s HIS 38 Ca 0.00 0.08 -0.08 0.00 -0.15 0.00 0.00 55.06 54.91 2k3m s HIS 38 Cb 0.00 -0.16 0.04 0.00 1.11 0.00 0.00 32.58 33.57 2k3m s HIS 38 CO 0.00 -0.06 0.14 0.99 -0.85 0.00 0.00 174.74 174.97 2k3m s THR 39 N 0.69 4.05 0.00 1.30 2.01 -1.26 -5.05 115.64 117.38 2k3m s THR 39 Ca -0.06 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 60.88 2k3m s THR 39 Cb -0.08 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.13 2k3m s THR 39 CO -0.02 -0.21 0.00 -2.65 -0.69 0.00 0.00 174.62 171.05 2k3m n PRO 40 N 4.87 0.00 -1.97 4.92 -0.02 -1.26 -4.39 135.00 137.15 2k3m n PRO 40 Ca -0.12 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.94 2k3m n PRO 40 Cb 0.45 -0.45 -0.03 0.00 -0.02 0.00 0.00 33.50 33.45 2k3m n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k3m s ALA 41 N -2.87 3.67 0.03 3.55 0.00 -1.26 -4.94 121.76 119.95 2k3m s ALA 41 Ca 0.00 1.16 -0.27 0.00 0.00 0.00 0.00 51.96 52.85 2k3m s ALA 41 Cb 0.00 -3.68 0.10 0.00 0.00 0.00 0.00 23.12 19.53 2k3m s ALA 41 CO 0.00 -1.08 1.22 -0.98 0.00 0.00 0.00 175.76 174.92 2k3m s ARG 42 N 2.62 0.62 0.17 0.00 1.70 -1.26 -5.02 118.95 117.79 2k3m s ARG 42 Ca 0.73 -0.39 -0.14 0.00 -0.47 0.00 0.00 55.73 55.45 2k3m s ARG 42 Cb -0.39 0.18 0.09 0.00 -0.57 0.00 0.00 34.95 34.27 2k3m s ARG 42 CO 0.31 -0.29 1.81 -0.09 -1.08 0.00 0.00 175.30 175.96 2k3m h ARG 43 N 2.00 0.55 0.00 3.89 9.65 -1.95 -3.46 114.38 125.06 2k3m h ARG 43 Ca -0.25 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.59 2k3m h ARG 43 Cb 1.20 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.65 2k3m h ARG 43 CO 0.32 0.36 0.00 0.41 2.80 0.00 0.00 179.97 183.86 2k3m n GLY 44 N -1.24 1.29 3.25 2.80 0.00 -1.26 -4.96 105.19 105.07 2k3m n GLY 44 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 2k3m n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k3m s PHE 45 N -1.32 -0.13 0.00 1.61 5.36 -1.26 -5.08 117.98 117.15 2k3m s PHE 45 Ca 0.00 0.05 0.00 0.00 -0.96 0.00 0.00 56.93 56.02 2k3m s PHE 45 Cb 0.00 0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.78 2k3m s PHE 45 CO 0.00 -0.48 0.00 1.19 -1.46 0.00 0.00 175.22 174.47 2k3m n PHE 46 N 0.75 0.00 0.00 10.12 3.01 -1.26 -4.85 117.46 125.22 2k3m n PHE 46 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.27 2k3m n PHE 46 Cb 0.59 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.06 2k3m n PHE 46 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2k3m n ARG 47 N 0.00 0.00 -2.12 -1.08 3.00 -1.26 -5.10 116.66 110.11 2k3m n ARG 47 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.82 2k3m n ARG 47 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k3m s ASN 49 N -1.82 -0.06 -0.06 0.00 2.20 -1.26 -5.04 114.94 108.90 2k3m s ASN 49 Ca 0.10 0.04 -0.01 0.00 -0.94 0.00 0.00 52.86 52.05 2k3m s ASN 49 Cb -0.03 0.27 -0.01 0.00 -2.00 0.00 0.00 41.25 39.48 2k3m s ASN 49 CO 0.34 -0.23 0.93 -0.81 -2.94 0.00 0.00 177.10 174.40 2k3m n PRO 50 N 2.15 0.19 -2.62 3.55 -0.04 -1.26 -4.21 135.00 132.76 2k3m n PRO 50 Ca -0.18 -0.36 -0.02 0.00 -0.04 0.00 0.00 63.50 62.90 2k3m n PRO 50 Cb 0.57 -1.82 0.01 0.00 -0.04 0.00 0.00 33.50 32.22 2k3m n PRO 50 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k3m n GLU 51 N 4.03 -1.04 -3.86 0.54 4.71 -1.26 -5.00 120.64 118.77 2k3m n GLU 51 Ca 0.04 1.11 -0.11 0.00 -0.01 0.00 0.00 57.16 58.19 2k3m n GLU 51 Cb 0.03 -4.52 -0.09 0.00 -1.01 0.00 0.00 31.44 25.86 2k3m n GLU 51 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2k3m s ARG 52 N -3.16 0.63 0.11 3.49 0.52 -1.26 -4.98 118.95 114.30 2k3m s ARG 52 Ca 0.05 -0.58 -0.31 0.00 -0.52 0.00 0.00 55.73 54.37 2k3m s ARG 52 Cb -0.01 0.26 -0.09 0.00 0.52 0.00 0.00 34.95 35.64 2k3m s ARG 52 CO 0.53 -0.17 1.56 0.96 0.02 0.00 0.00 175.30 178.19 2k3m s ILE 53 N -2.27 2.94 -0.88 1.52 -4.36 -1.26 -4.81 121.20 112.08 2k3m s ILE 53 Ca -0.07 0.58 -0.24 0.00 -0.26 0.00 0.00 60.65 60.66 2k3m s ILE 53 Cb -0.03 -3.37 -0.19 0.00 1.25 0.00 0.00 42.46 40.13 2k3m s ILE 53 CO -0.02 0.03 2.21 0.00 0.24 0.00 0.00 174.94 177.39 2k3m n GLN 54 N 4.62 0.31 -3.86 0.37 0.00 -1.26 -4.79 117.38 112.77 2k3m n GLN 54 Ca 0.14 -1.10 -0.09 0.00 0.00 0.00 0.00 57.00 55.95 2k3m n GLN 54 Cb 0.40 -3.50 -0.07 0.00 0.00 0.00 0.00 30.24 27.06 2k3m n GLN 54 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.06 175.56 2k3m s ILE 55 N 14.31 0.14 0.00 -0.39 1.10 -1.26 -4.91 121.20 130.18 2k3m s ILE 55 Ca 0.86 -1.14 0.00 0.00 -0.51 0.00 0.00 60.65 59.86 2k3m s ILE 55 Cb -0.14 -1.27 0.00 0.00 0.15 0.00 0.00 42.46 41.20 2k3m s ILE 55 CO 0.15 -0.63 0.00 0.61 -2.11 0.00 0.00 174.94 172.96 2k3m n GLY 56 N 0.06 0.89 3.55 1.50 0.00 -1.26 -4.98 105.19 104.94 2k3m n GLY 56 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 2k3m n GLY 56 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k3m s ASP 57 N -0.94 6.39 0.63 1.61 -4.77 -1.26 -4.97 116.67 113.35 2k3m s ASP 57 Ca 0.00 -1.15 -0.03 0.00 -3.30 0.00 0.00 52.55 48.07 2k3m s ASP 57 Cb 0.00 -2.55 0.04 0.00 -1.09 0.00 0.00 42.92 39.32 2k3m s ASP 57 CO 0.00 -1.59 0.90 0.26 0.70 0.00 0.00 175.17 175.44 2k3m s TRP 58 N 5.06 2.94 -0.10 2.11 0.52 -1.26 -5.04 118.94 123.17 2k3m s TRP 58 Ca 0.41 0.29 -0.03 0.00 0.02 0.00 0.00 56.10 56.78 2k3m s TRP 58 Cb -0.03 -2.95 -0.01 0.00 -1.15 0.00 0.00 33.47 29.33 2k3m s TRP 58 CO -0.01 -1.11 -0.06 0.07 0.02 0.00 0.00 176.95 175.86 2k3m h ARG 59 N -0.27 0.00 0.00 4.98 0.11 -1.97 -3.40 114.38 113.83 2k3m h ARG 59 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 2k3m h ARG 59 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 2k3m h ARG 59 CO 0.57 0.00 -0.84 0.10 0.10 0.00 0.00 179.97 179.90 2k3m h TYR 60 N -0.91 0.00 0.00 4.08 -0.00 -2.03 -3.33 116.97 114.78 2k3m h TYR 60 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2k3m h TYR 60 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.91 2k3m h TYR 60 CO -0.08 0.00 0.00 -1.91 -0.00 0.00 0.00 178.16 176.17 2k3m n GLU 61 N -2.50 0.13 -0.21 0.10 2.13 -1.26 -3.77 120.64 115.26 2k3m n GLU 61 Ca 0.01 0.33 -0.08 0.00 0.66 0.00 0.00 57.16 58.09 2k3m n GLU 61 Cb 0.51 -1.73 -0.03 0.00 0.27 0.00 0.00 31.44 30.46 2k3m n GLU 61 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 2k3m h VAL 62 N 0.00 0.10 -0.01 6.31 -1.51 -1.76 2.54 116.25 121.91 2k3m h VAL 62 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2k3m h VAL 62 Cb 0.36 0.10 -0.00 0.00 -2.13 0.00 0.00 31.29 29.62 2k3m h VAL 62 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 2k3m h ALA 63 N 0.66 0.01 0.41 5.19 0.00 -1.88 2.66 119.26 126.32 2k3m h ALA 63 Ca 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2k3m h ALA 63 Cb 0.56 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2k3m h ALA 63 CO -0.69 -0.34 -0.52 1.25 0.00 0.00 0.00 179.25 178.96 2k3m h HIS 64 N -0.27 -1.45 0.31 0.00 6.17 -1.23 -1.23 115.15 117.45 2k3m h HIS 64 Ca 0.00 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.09 2k3m h HIS 64 Cb 0.30 0.58 0.00 0.00 2.52 0.00 0.00 27.41 30.81 2k3m h HIS 64 CO 0.03 -0.66 -0.15 0.22 0.71 0.00 0.00 177.93 178.07 2k3m h ASP 65 N -0.96 -0.36 0.00 3.26 3.58 0.43 -2.99 116.42 119.38 2k3m h ASP 65 Ca -0.05 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.23 2k3m h ASP 65 Cb 0.86 0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.00 2k3m h ASP 65 CO -0.12 0.01 0.00 0.61 -2.88 0.00 0.00 179.24 176.86 2k3m n GLY 66 N -0.31 0.54 0.00 -0.78 0.00 0.89 -3.24 105.19 102.30 2k3m n GLY 66 Ca -0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 0.74 0.73 -0.19 1.61 1.74 -0.47 -4.02 116.66 116.81 2k3m n ARG 67 Ca 0.00 0.01 0.20 0.00 -0.77 0.00 0.00 57.85 57.29 2k3m n ARG 67 Cb 0.13 -1.50 0.31 0.00 -1.02 0.00 0.00 32.46 30.38 2k3m n ARG 67 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2k3m n LEU 68 N -1.06 0.00 0.08 0.55 0.00 -1.20 0.19 117.00 115.56 2k3m n LEU 68 Ca 0.18 0.50 -0.03 0.00 0.00 0.00 0.00 56.01 56.66 2k3m n LEU 68 Cb 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 43.42 43.33 2k3m n LEU 68 CO 0.16 -0.50 0.33 0.25 0.00 0.00 0.00 177.39 177.63 2k3m h LEU 69 N 0.00 -0.18 0.00 -1.96 5.85 -1.92 -2.58 115.31 114.52 2k3m h LEU 69 Ca 0.35 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.08 2k3m h LEU 69 Cb 1.92 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.99 2k3m h LEU 69 CO -0.00 -0.09 0.00 0.00 -0.34 0.00 0.00 178.44 178.01 2k3m n ALA 70 N -2.17 -0.03 0.00 1.25 0.00 0.50 -3.61 120.51 116.46 2k3m n ALA 70 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2k3m n ALA 70 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 2k3m n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k3m n ALA 71 N -1.48 0.60 -0.06 0.00 0.00 -0.07 -4.32 120.51 115.18 2k3m n ALA 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k3m n ALA 71 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.42 0.00 -0.07 0.00 1.44 -0.97 0.11 115.22 115.31 2k3m n HIS 72 Ca 0.00 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.58 2k3m n HIS 72 Cb 0.00 -0.02 -0.06 0.00 0.12 0.00 0.00 29.99 30.03 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 0.45 -0.99 -1.40 2.86 -1.84 -3.16 114.93 110.86 2k3m h MET 73 Ca 0.00 -0.23 0.35 0.00 -2.06 0.00 0.00 59.70 57.77 2k3m h MET 73 Cb 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 31.49 2k3m h MET 73 CO 0.00 0.78 0.37 0.28 1.06 0.00 0.00 176.91 179.40 2k3m h VAL 74 N 0.13 0.07 0.00 -2.22 2.07 0.55 0.64 116.25 117.49 2k3m h VAL 74 Ca 0.04 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2k3m h VAL 74 Cb 0.68 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2k3m h VAL 74 CO 0.04 0.01 0.65 0.59 0.02 0.00 0.00 177.57 178.88 2k3m n ASN 75 N -5.30 0.00 0.32 0.57 4.13 0.26 -0.43 115.26 114.81 2k3m n ASN 75 Ca 0.32 0.23 0.05 0.00 1.68 0.00 0.00 54.58 56.86 2k3m n ASN 75 Cb 1.05 0.00 0.25 0.00 -1.54 0.00 0.00 39.78 39.54 2k3m n ASN 75 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 2k3m h GLY 76 N 0.00 0.00 0.33 7.41 0.00 0.07 1.67 103.07 112.55 2k3m h GLY 76 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k3m h GLY 76 CO 0.00 0.00 -0.01 1.19 0.00 0.00 0.00 176.54 177.72 2k3m h ILE 77 N 0.00 1.49 -1.06 2.60 2.10 -1.01 -2.12 117.51 119.50 2k3m h ILE 77 Ca 0.01 -1.55 0.37 0.00 1.08 0.00 0.00 64.86 64.77 2k3m h ILE 77 Cb 1.63 2.53 -0.11 0.00 -1.09 0.00 0.00 36.82 39.78 2k3m h ILE 77 CO -0.00 0.40 0.68 0.52 -1.08 0.00 0.00 178.15 178.66 2k3m n VAL 78 N -4.78 -0.21 -0.01 2.19 0.31 0.57 0.38 118.33 116.79 2k3m n VAL 78 Ca -0.09 1.42 0.01 0.00 -0.01 0.00 0.00 64.34 65.68 2k3m n VAL 78 Cb 0.33 -2.33 -0.12 0.00 -0.91 0.00 0.00 33.84 30.80 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 -4.29 0.89 0.61 2.52 -6.64 -1.22 -4.03 119.36 107.20 2k3m n ILE 79 Ca 0.32 -0.68 0.13 0.00 -1.77 0.00 0.00 62.75 60.75 2k3m n ILE 79 Cb 1.22 -0.44 0.38 0.00 -1.44 0.00 0.00 39.64 39.35 2k3m n ILE 79 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2k3m n ALA 80 N -2.44 2.33 -0.01 -1.28 0.00 1.23 -1.97 120.51 118.38 2k3m n ALA 80 Ca -0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 53.44 53.26 2k3m n ALA 80 Cb 0.83 -1.45 -0.00 0.00 0.00 0.00 0.00 19.45 18.84 2k3m n ALA 80 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k3m h GLU 81 N 0.00 0.00 0.90 0.00 4.81 0.15 -3.40 114.58 117.04 2k3m h GLU 81 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2k3m h GLU 81 Cb 0.75 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.13 2k3m h GLU 81 CO 0.00 0.00 -0.47 -0.44 -0.73 0.00 0.00 179.01 177.37 2k3m h ASP 82 N -0.21 -1.13 0.00 1.04 3.32 -1.71 -3.37 116.42 114.35 2k3m h ASP 82 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2k3m h ASP 82 Cb 0.01 0.30 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2k3m h ASP 82 CO 0.00 -0.77 0.00 0.00 -1.72 0.00 0.00 179.24 176.75 2k3m n ALA 83 N -2.66 0.00 -0.16 3.45 0.00 -0.83 -2.42 120.51 117.89 2k3m n ALA 83 Ca -0.16 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.37 2k3m n ALA 83 Cb 0.50 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.12 2k3m n ALA 83 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k3m n LEU 84 N 0.00 -0.01 -0.01 0.00 0.00 -1.26 0.26 117.00 115.98 2k3m n LEU 84 Ca 0.00 0.79 -0.17 0.00 0.00 0.00 0.00 56.01 56.63 2k3m n LEU 84 Cb 0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 43.42 42.98 2k3m n LEU 84 CO 0.00 -0.81 -0.76 2.30 0.00 0.00 0.00 177.39 178.11 2k3m n ILE 85 N -4.43 1.70 0.01 1.96 -5.35 -1.02 -4.29 119.36 107.95 2k3m n ILE 85 Ca 0.12 -0.70 -0.11 0.00 -0.27 0.00 0.00 62.75 61.79 2k3m n ILE 85 Cb 0.41 -1.46 -0.05 0.00 -1.74 0.00 0.00 39.64 36.80 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 0.39 -0.46 0.00 -1.28 0.00 0.34 0.71 119.26 118.96 2k3m h ALA 86 Ca -0.39 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2k3m h ALA 86 Cb 2.03 0.67 0.00 0.00 0.00 0.00 0.00 17.79 20.48 2k3m h ALA 86 CO 0.07 -0.85 0.00 0.39 0.00 0.00 0.00 179.25 178.87 2k3m n GLU 87 N -5.42 0.08 -0.03 0.00 1.02 0.64 -0.40 120.64 116.52 2k3m n GLU 87 Ca -0.04 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.12 2k3m n GLU 87 Cb 0.34 -1.22 -0.12 0.00 -0.02 0.00 0.00 31.44 30.43 2k3m n GLU 87 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k3m n ALA 88 N -0.72 2.21 1.07 0.62 0.00 0.24 -4.33 120.51 119.60 2k3m n ALA 88 Ca 0.01 -0.60 0.13 0.00 0.00 0.00 0.00 53.44 52.97 2k3m n ALA 88 Cb 0.00 -0.34 0.33 0.00 0.00 0.00 0.00 19.45 19.44 2k3m n ALA 88 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2k3m n VAL 89 N -2.24 0.00 -0.34 0.00 0.24 0.46 -4.38 118.33 112.07 2k3m n VAL 89 Ca -0.11 -0.03 0.06 0.00 -2.04 0.00 0.00 64.34 62.22 2k3m n VAL 89 Cb 0.63 0.17 0.14 0.00 -1.47 0.00 0.00 33.84 33.32 2k3m n VAL 89 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2k3m h GLY 90 N 4.98 0.74 -0.61 7.63 0.00 -1.71 1.18 103.07 115.28 2k3m h GLY 90 Ca 0.00 0.30 0.33 0.00 0.00 0.00 0.00 47.33 47.96 2k3m h GLY 90 CO 0.00 -0.38 0.98 -2.55 0.00 0.00 0.00 176.54 174.60 2k3m h PRO 91 N 0.00 0.00 -0.62 4.80 0.11 -1.90 0.55 132.00 134.94 2k3m h PRO 91 Ca 0.47 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.68 2k3m h PRO 91 Cb 0.74 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.82 2k3m h PRO 91 CO -0.97 0.00 0.41 1.25 -0.21 0.00 0.00 178.00 178.48 2k3m h HIS 92 N 0.00 0.46 -0.85 0.65 2.76 0.11 -1.69 115.15 116.59 2k3m h HIS 92 Ca 0.54 0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.88 2k3m h HIS 92 Cb 2.50 -0.15 -0.16 0.00 1.55 0.00 0.00 27.41 31.16 2k3m h HIS 92 CO 0.00 0.22 -0.29 1.37 -1.30 0.00 0.00 177.93 177.94 2k3m h LEU 93 N 0.44 -1.04 0.12 0.26 -0.00 -0.02 2.61 115.31 117.68 2k3m h LEU 93 Ca 0.28 0.27 0.01 0.00 -0.00 0.00 0.00 57.88 58.45 2k3m h LEU 93 Cb 0.53 0.61 -0.03 0.00 -0.00 0.00 0.00 40.66 41.77 2k3m h LEU 93 CO -0.08 -0.29 -0.23 0.00 -0.00 0.00 0.00 178.44 177.84 2k3m h ALA 94 N 1.58 -0.39 0.06 0.17 0.00 -1.50 -0.11 119.26 119.07 2k3m h ALA 94 Ca 0.37 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.26 2k3m h ALA 94 Cb 0.61 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 2k3m h ALA 94 CO -0.88 -0.76 -0.47 -0.09 0.00 0.00 0.00 179.25 177.04 2k3m h ARG 95 N -0.43 -0.64 0.00 0.00 2.43 0.40 1.69 114.38 117.82 2k3m h ARG 95 Ca 0.03 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2k3m h ARG 95 Cb 0.45 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2k3m h ARG 95 CO -0.12 -0.43 0.32 0.00 -1.51 0.00 0.00 179.97 178.23 2k3m n ALA 96 N -2.90 0.47 0.00 2.80 0.00 0.81 -4.34 120.51 117.35 2k3m n ALA 96 Ca -0.07 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2k3m n ALA 96 Cb 0.39 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.52 0.00 0.24 0.00 0.00 0.57 0.31 117.00 116.60 2k3m n LEU 97 Ca -0.00 0.00 0.17 0.00 0.00 0.00 0.00 56.01 56.18 2k3m n LEU 97 Cb 0.33 0.00 0.79 0.00 0.00 0.00 0.00 43.42 44.53 2k3m n LEU 97 CO 0.02 0.00 1.15 1.23 0.00 0.00 0.00 177.39 179.78 2k3m h GLY 98 N 0.00 0.00 2.00 -3.96 0.00 -1.83 4.24 103.07 103.52 2k3m h GLY 98 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2k3m h GLY 98 CO 0.00 0.00 -0.17 1.46 0.00 0.00 0.00 176.54 177.83 2k3m h GLN 99 N 0.00 0.00 -0.30 4.80 1.08 0.45 -2.14 115.11 119.00 2k3m h GLN 99 Ca 0.08 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.20 2k3m h GLN 99 Cb 0.82 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.24 2k3m h GLN 99 CO -0.00 0.17 -0.15 0.97 -0.95 0.00 0.00 178.83 178.87 2k3m h ILE 100 N 0.00 1.24 0.63 2.54 2.10 0.81 -2.67 117.51 122.15 2k3m h ILE 100 Ca -0.00 -1.09 -0.02 0.00 1.08 0.00 0.00 64.86 64.83 2k3m h ILE 100 Cb 0.71 1.18 -0.01 0.00 -1.09 0.00 0.00 36.82 37.61 2k3m h ILE 100 CO 0.02 0.36 -0.40 1.62 -1.08 0.00 0.00 178.15 178.66 2k3m h VAL 101 N 0.48 0.18 -0.98 2.19 3.04 -1.08 0.13 116.25 120.21 2k3m h VAL 101 Ca 0.08 0.00 0.28 0.00 -1.01 0.00 0.00 66.70 66.06 2k3m h VAL 101 Cb 0.54 0.18 -0.04 0.00 -2.01 0.00 0.00 31.29 29.96 2k3m h VAL 101 CO 0.03 0.00 0.77 0.00 -1.01 0.00 0.00 177.57 177.36 2k3m h ARG 103 N 0.00 -0.32 -0.91 0.00 3.08 -0.58 -2.61 114.38 113.04 2k3m h ARG 103 Ca 0.46 0.02 -0.16 0.00 0.07 0.00 0.00 59.98 60.38 2k3m h ARG 103 Cb 1.99 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 32.02 2k3m h ARG 103 CO -0.00 -0.00 0.20 2.48 -1.07 0.00 0.00 179.97 181.57 2k3m n TYR 104 N -5.00 1.38 0.00 3.04 0.18 0.22 -4.72 117.16 112.26 2k3m n TYR 104 Ca -0.07 -0.85 0.00 0.00 1.88 0.00 0.00 57.90 58.86 2k3m n TYR 104 Cb 0.24 -0.49 0.00 0.00 -0.38 0.00 0.00 39.34 38.71 2k3m n TYR 104 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2k3m n GLY 105 N -0.07 -0.58 2.23 -7.48 0.00 0.77 -4.97 105.19 95.09 2k3m n GLY 105 Ca 0.24 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 -3.00 -1.91 0.05 4.61 0.00 -0.99 -4.91 120.51 114.36 2k3m n ALA 106 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2k3m n ALA 106 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.04 2k3m n ALA 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2k3m n THR 107 N 1.91 0.14 -0.06 0.00 -1.04 -1.26 -4.87 114.28 109.09 2k3m n THR 107 Ca 0.00 0.05 -0.14 0.00 -2.04 0.00 0.00 64.05 61.92 2k3m n THR 107 Cb 0.00 -0.78 -0.06 0.00 -1.82 0.00 0.00 70.33 67.67 2k3m n THR 107 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 2k3m h VAL 108 N 0.00 1.33 -0.95 12.58 -1.51 -2.01 -3.27 116.25 122.42 2k3m h VAL 108 Ca 0.00 -1.52 0.26 0.00 -1.23 0.00 0.00 66.70 64.20 2k3m h VAL 108 Cb 0.15 1.84 -0.18 0.00 -2.13 0.00 0.00 31.29 30.97 2k3m h VAL 108 CO 0.00 0.47 0.01 0.00 -1.23 0.00 0.00 177.57 176.82 2k3m n ILE 109 N -4.33 -0.40 0.27 7.19 3.06 -1.26 0.30 119.36 124.19 2k3m n ILE 109 Ca -0.06 2.10 0.14 0.00 -2.50 0.00 0.00 62.75 62.43 2k3m n ILE 109 Cb 0.48 -3.06 0.77 0.00 0.54 0.00 0.00 39.64 38.37 2k3m n ILE 109 CO 0.00 0.00 0.00 -0.65 -2.50 0.00 0.00 176.55 173.40 2k3m h PRO 110 N 0.00 0.00 0.09 9.51 0.11 -1.90 -0.18 132.00 139.63 2k3m h PRO 110 Ca 0.57 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.68 2k3m h PRO 110 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k3m h PRO 110 CO -0.90 0.09 -0.04 -0.97 -0.21 0.00 0.00 178.00 175.97 2k3m h ASN 111 N 0.00 -0.10 -0.22 -2.05 -0.73 0.44 -1.70 115.58 111.22 2k3m h ASN 111 Ca -0.00 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.07 2k3m h ASN 111 Cb 0.29 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.89 2k3m h ASN 111 CO 0.01 -0.06 -0.22 -0.29 -0.37 0.00 0.00 177.43 176.50 2k3m h ILE 112 N -0.13 1.27 -0.48 2.57 -0.00 -1.59 -2.83 117.51 116.32 2k3m h ILE 112 Ca -0.01 -1.29 0.10 0.00 -0.00 0.00 0.00 64.86 63.65 2k3m h ILE 112 Cb 0.09 1.23 -0.10 0.00 -0.00 0.00 0.00 36.82 38.04 2k3m h ILE 112 CO 0.02 0.43 -0.24 -1.13 -0.00 0.00 0.00 178.15 177.22 2k3m h ASN 113 N 0.60 -0.84 0.17 2.19 -1.24 -1.07 2.19 115.58 117.59 2k3m h ASN 113 Ca 0.09 0.18 -0.01 0.00 0.71 0.00 0.00 56.30 57.27 2k3m h ASN 113 Cb 0.69 0.44 -0.00 0.00 0.73 0.00 0.00 38.32 40.18 2k3m h ASN 113 CO 0.05 -0.26 -0.05 0.00 -1.29 0.00 0.00 177.43 175.88 2k3m h ALA 114 N 1.14 1.39 0.14 1.57 0.00 -1.13 0.34 119.26 122.70 2k3m h ALA 114 Ca 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2k3m h ALA 114 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2k3m h ALA 114 CO -0.57 0.06 -0.07 0.00 0.00 0.00 0.00 179.25 178.68 2k3m h ALA 115 N 1.95 -0.18 0.03 0.00 0.00 0.34 -3.21 119.26 118.19 2k3m h ALA 115 Ca -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k3m h ALA 115 Cb 0.15 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2k3m h ALA 115 CO 0.01 -0.18 -0.02 0.97 0.00 0.00 0.00 179.25 180.03 2k3m h ILE 116 N -1.04 1.22 -0.70 0.00 2.10 0.98 -2.78 117.51 117.30 2k3m h ILE 116 Ca -0.02 -0.83 0.07 0.00 1.08 0.00 0.00 64.86 65.16 2k3m h ILE 116 Cb 0.22 1.78 -0.10 0.00 -1.09 0.00 0.00 36.82 37.62 2k3m h ILE 116 CO 0.03 0.21 -0.55 -0.08 -1.08 0.00 0.00 178.15 176.68 2k3m h GLU 117 N -0.41 -0.17 -0.29 2.19 4.81 -0.48 3.88 114.58 124.11 2k3m h GLU 117 Ca -0.00 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 2k3m h GLU 117 Cb 0.38 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2k3m h GLU 117 CO 0.01 -0.11 0.48 0.28 -0.73 0.00 0.00 179.01 178.94 2k3m h VAL 118 N -0.17 0.20 0.00 0.32 2.07 -1.59 -2.26 116.25 114.83 2k3m h VAL 118 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 2k3m h VAL 118 Cb 0.47 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2k3m h VAL 118 CO -0.75 0.00 -0.06 0.25 0.02 0.00 0.00 177.57 177.03 2k3m h LEU 119 N 0.00 0.00 0.00 2.57 5.85 0.75 -3.44 115.31 121.04 2k3m h LEU 119 Ca 0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2k3m h LEU 119 Cb 1.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.12 2k3m h LEU 119 CO -0.00 0.40 0.00 0.61 -0.34 0.00 0.00 178.44 179.11 2k3m n GLY 120 N 1.81 -0.95 0.00 3.75 0.00 0.91 -4.96 105.19 105.75 2k3m n GLY 120 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2k3m n GLY 120 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k3m n THR 121 N -0.16 0.00 0.00 2.61 -1.04 -0.90 -5.05 114.28 109.74 2k3m n THR 121 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2k3m n THR 121 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2k3m n THR 121 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k3m n GLY 122 N -0.24 2.26 2.31 3.41 0.00 -1.20 -4.84 105.19 106.89 2k3m n GLY 122 Ca 0.00 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 2k3m n GLY 122 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k3m n THR 123 N 0.00 0.00 -3.86 2.61 5.66 -1.26 -4.83 114.28 112.59 2k3m n THR 123 Ca 0.00 -0.26 -0.12 0.00 -3.05 0.00 0.00 64.05 60.62 2k3m n THR 123 Cb 0.00 -0.07 -0.12 0.00 -1.55 0.00 0.00 70.33 68.59 2k3m n THR 123 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2k3m s ASP 124 N 1.26 -0.03 -0.08 1.09 1.01 -1.26 -4.95 116.67 113.71 2k3m s ASP 124 Ca 0.88 0.02 -0.12 0.00 0.71 0.00 0.00 52.55 54.04 2k3m s ASP 124 Cb -0.62 0.18 0.03 0.00 1.01 0.00 0.00 42.92 43.52 2k3m s ASP 124 CO 0.37 -0.13 0.30 -0.47 0.21 0.00 0.00 175.17 175.44 2k3m s TYR 125 N -0.42 -0.28 0.05 4.23 5.04 -1.26 -5.17 117.35 119.53 2k3m s TYR 125 Ca -0.05 0.63 -0.16 0.00 -2.44 0.00 0.00 57.07 55.05 2k3m s TYR 125 Cb -0.03 0.10 0.03 0.00 0.35 0.00 0.00 41.96 42.41 2k3m s TYR 125 CO 0.00 -0.23 0.36 1.03 -1.34 0.00 0.00 175.55 175.38 2k3m s ARG 126 N -0.32 0.88 0.00 4.97 1.81 -1.26 -5.16 118.95 119.88 2k3m s ARG 126 Ca -0.04 -0.45 0.00 0.00 -1.72 0.00 0.00 55.73 53.52 2k3m s ARG 126 Cb -0.03 0.39 0.00 0.00 -0.45 0.00 0.00 34.95 34.85 2k3m s ARG 126 CO 0.01 -0.30 0.00 1.97 -0.68 0.00 0.00 175.30 176.31