#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 3.18 0.00 7.83 2.88 -1.26 -4.86 113.62 121.39 2k3m n SER 2 Ca 0.00 -1.94 0.00 0.00 -1.33 0.00 0.00 58.87 55.60 2k3m n SER 2 Cb 0.00 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 2k3m n SER 2 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2k3m n ASP 3 N 1.00 0.00 -3.74 -3.46 2.03 -1.26 -5.19 116.55 105.93 2k3m n ASP 3 Ca 0.16 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.33 2k3m n ASP 3 Cb 0.49 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.80 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 -0.29 0.03 -0.67 5.36 -1.26 -5.17 117.98 115.98 2k3m s PHE 4 Ca 0.00 0.58 -0.26 0.00 -0.96 0.00 0.00 56.93 56.29 2k3m s PHE 4 Cb 0.00 0.13 0.06 0.00 -0.34 0.00 0.00 43.02 42.87 2k3m s PHE 4 CO 0.00 -0.33 0.60 0.16 -1.46 0.00 0.00 175.22 174.19 2k3m s ASP 5 N -0.76 -0.55 1.03 6.13 1.47 -1.26 -5.06 116.67 117.67 2k3m s ASP 5 Ca -0.08 0.35 -0.13 0.00 1.18 0.00 0.00 52.55 53.87 2k3m s ASP 5 Cb -0.04 0.53 0.20 0.00 -0.34 0.00 0.00 42.92 43.28 2k3m s ASP 5 CO 0.03 -0.73 1.09 -0.89 0.68 0.00 0.00 175.17 175.36 2k3m s THR 6 N -2.22 1.97 0.09 2.11 2.01 -1.26 -4.42 115.64 113.93 2k3m s THR 6 Ca -0.06 0.00 -0.34 0.00 0.31 0.00 0.00 61.69 61.60 2k3m s THR 6 Cb -0.01 -2.49 -0.15 0.00 0.01 0.00 0.00 72.50 69.87 2k3m s THR 6 CO 0.01 0.00 1.59 -0.08 -0.69 0.00 0.00 174.62 175.44 2k3m h GLU 7 N -2.00 -0.84 -0.15 4.92 4.22 -2.02 4.02 114.58 122.73 2k3m h GLU 7 Ca -0.55 0.06 0.05 0.00 0.08 0.00 0.00 59.36 59.00 2k3m h GLU 7 Cb 1.33 0.19 -0.06 0.00 0.50 0.00 0.00 28.75 30.71 2k3m h GLU 7 CO 0.56 -0.56 -0.31 -0.09 -2.18 0.00 0.00 179.01 176.43 2k3m h ARG 8 N -0.88 -0.36 -0.08 1.92 1.12 -1.98 1.37 114.38 115.50 2k3m h ARG 8 Ca -0.04 0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.84 2k3m h ARG 8 Cb 0.78 0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.82 2k3m h ARG 8 CO -0.08 -0.24 0.01 -0.39 -3.11 0.00 0.00 179.97 176.16 2k3m h VAL 9 N -0.37 1.23 -0.71 0.20 -1.51 -1.86 0.11 116.25 113.34 2k3m h VAL 9 Ca 0.10 -0.70 -0.04 0.00 -1.23 0.00 0.00 66.70 64.83 2k3m h VAL 9 Cb 0.53 1.54 -0.03 0.00 -2.13 0.00 0.00 31.29 31.20 2k3m h VAL 9 CO -0.36 0.20 0.27 -1.28 -1.23 0.00 0.00 177.57 175.17 2k3m h SER 10 N -0.11 0.99 0.00 4.19 0.87 0.83 0.81 113.55 121.12 2k3m h SER 10 Ca 0.02 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2k3m h SER 10 Cb 0.30 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 2k3m h SER 10 CO 0.00 0.90 -0.00 -0.09 -0.53 0.00 0.00 176.83 177.11 2k3m h ARG 11 N 1.01 -0.00 -0.70 2.24 2.43 0.18 -1.88 114.38 117.66 2k3m h ARG 11 Ca 0.23 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.54 2k3m h ARG 11 Cb 0.23 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.65 2k3m h ARG 11 CO -0.02 0.49 -0.19 0.00 -1.51 0.00 0.00 179.97 178.74 2k3m h ALA 12 N -0.51 0.43 -0.02 2.80 0.00 -1.03 3.56 119.26 124.48 2k3m h ALA 12 Ca -0.00 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2k3m h ALA 12 Cb 0.49 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2k3m h ALA 12 CO 0.00 -0.44 0.01 0.28 0.00 0.00 0.00 179.25 179.11 2k3m h VAL 13 N -0.01 1.01 0.66 0.00 2.07 -0.95 0.72 116.25 119.76 2k3m h VAL 13 Ca 0.33 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.78 2k3m h VAL 13 Cb 0.52 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2k3m h VAL 13 CO -0.72 0.01 -0.35 0.00 0.02 0.00 0.00 177.57 176.52 2k3m h ALA 14 N 1.00 -1.22 0.04 1.67 0.00 0.26 2.58 119.26 123.58 2k3m h ALA 14 Ca 0.01 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.75 2k3m h ALA 14 Cb 0.01 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2k3m h ALA 14 CO -0.00 -1.17 -0.32 0.00 0.00 0.00 0.00 179.25 177.76 2k3m h ALA 15 N -1.47 -0.49 0.33 0.00 0.00 0.60 1.63 119.26 119.85 2k3m h ALA 15 Ca -0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2k3m h ALA 15 Cb 0.73 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2k3m h ALA 15 CO 0.12 -0.84 -0.16 0.00 0.00 0.00 0.00 179.25 178.37 2k3m h ALA 16 N 0.21 -0.44 0.14 0.00 0.00 0.46 2.25 119.26 121.88 2k3m h ALA 16 Ca 0.05 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2k3m h ALA 16 Cb 0.56 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2k3m h ALA 16 CO -0.24 -0.65 -0.22 1.25 0.00 0.00 0.00 179.25 179.40 2k3m h LEU 17 N -0.64 -0.59 0.34 0.00 6.46 0.48 0.26 115.31 121.62 2k3m h LEU 17 Ca -0.04 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 2k3m h LEU 17 Cb 0.45 0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 2k3m h LEU 17 CO 0.07 -0.31 -0.16 -0.37 -0.62 0.00 0.00 178.44 177.05 2k3m h VAL 18 N -0.42 0.56 -2.15 1.05 -1.51 0.24 -3.39 116.25 110.63 2k3m h VAL 18 Ca 0.02 -0.66 -0.17 0.00 -1.23 0.00 0.00 66.70 64.66 2k3m h VAL 18 Cb 0.43 0.85 0.09 0.00 -2.13 0.00 0.00 31.29 30.53 2k3m h VAL 18 CO -0.10 0.11 -0.00 0.61 -1.23 0.00 0.00 177.57 176.96 2k3m n GLY 19 N -0.11 -3.10 0.19 5.19 0.00 0.76 -4.92 105.19 103.19 2k3m n GLY 19 Ca -0.09 -1.38 0.08 0.00 0.00 0.00 0.00 46.02 44.62 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 0.85 1.61 0.14 -1.77 -3.31 132.00 129.51 2k3m h PRO 20 Ca -0.18 0.00 -0.04 0.00 0.14 0.00 0.00 66.00 65.92 2k3m h PRO 20 Cb 0.58 0.00 0.01 0.00 0.14 0.00 0.00 31.00 31.73 2k3m h PRO 20 CO 0.12 0.27 -0.42 0.78 0.14 0.00 0.00 178.00 178.89 2k3m h GLY 21 N 3.17 -1.22 0.67 1.56 0.00 -1.83 3.16 103.07 108.59 2k3m h GLY 21 Ca -0.00 0.46 0.01 0.00 0.00 0.00 0.00 47.33 47.80 2k3m h GLY 21 CO 0.04 -0.44 -0.20 -1.33 0.00 0.00 0.00 176.54 174.61 2k3m h GLY 22 N -1.16 -0.37 1.46 4.60 0.00 -0.64 0.41 103.07 107.38 2k3m h GLY 22 Ca -0.12 0.23 0.06 0.00 0.00 0.00 0.00 47.33 47.50 2k3m h GLY 22 CO 0.18 -0.19 0.23 -2.08 0.00 0.00 0.00 176.54 174.69 2k3m h VAL 23 N -0.38 0.94 0.94 4.60 2.07 -1.38 -0.16 116.25 122.88 2k3m h VAL 23 Ca 0.02 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 2k3m h VAL 23 Cb 0.40 0.71 0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2k3m h VAL 23 CO -0.10 0.04 -0.45 0.00 0.02 0.00 0.00 177.57 177.07 2k3m h ALA 24 N 1.82 -1.26 -0.21 1.67 0.00 0.79 -0.72 119.26 121.35 2k3m h ALA 24 Ca 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2k3m h ALA 24 Cb 0.33 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2k3m h ALA 24 CO -0.03 -1.17 0.11 1.25 0.00 0.00 0.00 179.25 179.41 2k3m h LEU 25 N -1.34 0.27 1.00 0.00 5.85 -0.87 -0.14 115.31 120.09 2k3m h LEU 25 Ca -0.13 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 2k3m h LEU 25 Cb 0.97 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.94 2k3m h LEU 25 CO 0.21 0.30 -0.48 0.58 -0.34 0.00 0.00 178.44 178.71 2k3m h VAL 26 N 0.23 0.00 -0.59 1.05 2.07 -1.07 0.09 116.25 118.03 2k3m h VAL 26 Ca 0.07 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.62 2k3m h VAL 26 Cb 0.09 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.83 2k3m h VAL 26 CO -0.01 0.00 0.39 1.62 0.02 0.00 0.00 177.57 179.59 2k3m h VAL 27 N -1.34 1.08 0.32 2.57 3.04 -1.18 0.42 116.25 121.16 2k3m h VAL 27 Ca -0.14 -0.24 -0.02 0.00 -1.01 0.00 0.00 66.70 65.30 2k3m h VAL 27 Cb 1.03 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 2k3m h VAL 27 CO 0.23 0.13 -0.15 0.11 -1.01 0.00 0.00 177.57 176.87 2k3m h LYS 28 N 0.69 -0.41 -0.08 4.17 1.79 -0.86 0.43 116.57 122.30 2k3m h LYS 28 Ca 0.24 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.72 2k3m h LYS 28 Cb 0.08 0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2k3m h LYS 28 CO -0.06 -0.11 0.00 0.28 -1.08 0.00 0.00 179.45 178.49 2k3m h VAL 29 N -0.73 1.24 0.75 0.50 2.07 -0.71 0.48 116.25 119.85 2k3m h VAL 29 Ca -0.04 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 2k3m h VAL 29 Cb 0.50 1.59 0.01 0.00 -1.52 0.00 0.00 31.29 31.86 2k3m h VAL 29 CO 0.07 0.21 -0.36 0.00 0.02 0.00 0.00 177.57 177.51 2k3m h ALA 31 N -1.32 -0.45 -2.15 0.00 0.00 -0.97 -3.50 119.26 110.87 2k3m h ALA 31 Ca -0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2k3m h ALA 31 Cb 0.77 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2k3m h ALA 31 CO 0.17 -0.55 0.00 0.41 0.00 0.00 0.00 179.25 179.28 2k3m n GLY 32 N -0.14 -0.07 1.89 0.00 0.00 0.17 -4.77 105.19 102.26 2k3m n GLY 32 Ca -0.09 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.61 -3.50 0.00 0.99 0.00 -1.26 -4.69 117.00 107.92 2k3m n LEU 33 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 56.01 56.82 2k3m n LEU 33 Cb 0.25 -1.81 0.00 0.00 0.00 0.00 0.00 43.42 41.86 2k3m n LEU 33 CO 0.00 -1.42 0.50 -2.65 0.00 0.00 0.00 177.39 173.82 2k3m n PRO 34 N 0.58 0.00 0.47 1.96 -0.02 -1.26 -2.53 135.00 134.20 2k3m n PRO 34 Ca -0.14 0.09 -0.20 0.00 -2.02 0.00 0.00 63.50 61.22 2k3m n PRO 34 Cb 0.22 -1.91 -0.10 0.00 -0.02 0.00 0.00 33.50 31.69 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 -1.28 0.00 -1.23 0.00 -1.94 -3.44 103.07 95.19 2k3m h GLY 35 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.82 2k3m h GLY 35 CO 0.00 -0.46 0.00 3.33 0.00 0.00 0.00 176.54 179.41 2k3m n VAL 36 N -5.62 0.00 -1.86 4.60 0.24 -1.05 -4.91 118.33 109.73 2k3m n VAL 36 Ca -0.16 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.12 2k3m n VAL 36 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 2k3m n VAL 36 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2k3m n ILE 37 N 0.00 -4.42 -3.98 1.34 -0.00 -1.26 -5.02 119.36 106.02 2k3m n ILE 37 Ca 0.00 0.24 -0.20 0.00 -0.00 0.00 0.00 62.75 62.79 2k3m n ILE 37 Cb 0.00 -4.88 -0.17 0.00 -0.00 0.00 0.00 39.64 34.59 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 2k3m s HIS 38 N -1.42 0.60 -0.13 1.39 3.76 -1.26 -5.11 115.29 113.11 2k3m s HIS 38 Ca 0.07 -0.13 -0.06 0.00 -0.15 0.00 0.00 55.06 54.79 2k3m s HIS 38 Cb -0.02 -0.63 -0.04 0.00 1.11 0.00 0.00 32.58 33.00 2k3m s HIS 38 CO 0.20 -0.21 0.07 0.95 -0.85 0.00 0.00 174.74 174.90 2k3m s THR 39 N 1.27 4.90 0.47 1.30 -4.23 -1.26 -5.00 115.64 113.08 2k3m s THR 39 Ca -0.06 -0.01 0.20 0.00 -1.18 0.00 0.00 61.69 60.64 2k3m s THR 39 Cb -0.13 -3.14 0.38 0.00 1.34 0.00 0.00 72.50 70.95 2k3m s THR 39 CO -0.02 0.56 1.94 -0.65 -0.54 0.00 0.00 174.62 175.91 2k3m h PRO 40 N 5.61 0.23 -4.76 3.99 0.11 -2.08 -3.40 132.00 131.69 2k3m h PRO 40 Ca -0.48 -0.01 -0.52 0.00 0.11 0.00 0.00 66.00 65.10 2k3m h PRO 40 Cb 1.20 -0.05 -0.33 0.00 0.11 0.00 0.00 31.00 31.93 2k3m h PRO 40 CO 0.61 0.16 -0.82 0.00 -0.21 0.00 0.00 178.00 177.74 2k3m s ALA 41 N -5.24 1.30 0.12 -0.75 0.00 -1.26 -5.13 121.76 110.80 2k3m s ALA 41 Ca -0.07 -0.49 -0.24 0.00 0.00 0.00 0.00 51.96 51.16 2k3m s ALA 41 Cb 0.21 -0.53 0.07 0.00 0.00 0.00 0.00 23.12 22.87 2k3m s ALA 41 CO 0.76 0.16 0.63 1.03 0.00 0.00 0.00 175.76 178.34 2k3m s ARG 42 N 0.44 1.22 0.00 0.00 0.52 -1.26 -4.98 118.95 114.89 2k3m s ARG 42 Ca -0.11 -0.36 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 2k3m s ARG 42 Cb -0.14 0.57 0.00 0.00 0.52 0.00 0.00 34.95 35.90 2k3m s ARG 42 CO 0.03 -0.52 0.01 -2.13 0.02 0.00 0.00 175.30 172.71 2k3m n ARG 43 N -0.19 0.01 0.00 3.54 0.63 -1.26 -4.56 116.66 114.83 2k3m n ARG 43 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 2k3m n ARG 43 Cb 0.64 -1.18 0.00 0.00 0.45 0.00 0.00 32.46 32.37 2k3m n ARG 43 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k3m n GLY 44 N 0.67 2.70 1.67 5.14 0.00 -1.26 -4.83 105.19 109.27 2k3m n GLY 44 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2k3m n GLY 44 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2k3m n PHE 45 N -0.72 -0.05 0.00 1.61 1.16 -1.26 -5.15 117.46 113.04 2k3m n PHE 45 Ca 0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 57.45 55.35 2k3m n PHE 45 Cb 0.00 0.10 0.00 0.00 -1.61 0.00 0.00 39.48 37.97 2k3m n PHE 45 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2k3m n PHE 46 N -0.41 0.00 0.00 2.97 -0.00 -1.26 -5.09 117.46 113.67 2k3m n PHE 46 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 2k3m n PHE 46 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.72 2k3m n PHE 46 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 2k3m n ARG 47 N 0.28 0.00 0.00 -4.13 0.00 -1.26 -4.96 116.66 106.60 2k3m n ARG 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 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 -1.51 5.44 -0.05 0.00 2.47 -1.26 -4.81 114.94 115.22 2k3m s ASN 49 Ca 0.00 2.69 -0.20 0.00 0.42 0.00 0.00 52.86 55.77 2k3m s ASN 49 Cb 0.00 -2.63 -0.24 0.00 -1.45 0.00 0.00 41.25 36.93 2k3m s ASN 49 CO 0.00 -1.45 1.43 -2.65 -3.72 0.00 0.00 177.10 170.71 2k3m n PRO 50 N -0.91 0.11 -3.90 0.43 -0.02 -1.26 -4.24 135.00 125.21 2k3m n PRO 50 Ca 0.10 -0.89 -0.32 0.00 -2.02 0.00 0.00 63.50 60.36 2k3m n PRO 50 Cb 0.45 -2.36 0.01 0.00 -0.02 0.00 0.00 33.50 31.58 2k3m n PRO 50 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k3m n GLU 51 N 6.94 -1.73 -3.94 -0.52 -0.58 -1.26 -5.00 120.64 114.55 2k3m n GLU 51 Ca 0.32 0.34 -0.09 0.00 -0.42 0.00 0.00 57.16 57.31 2k3m n GLU 51 Cb 0.28 -3.91 -0.09 0.00 -0.57 0.00 0.00 31.44 27.15 2k3m n GLU 51 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2k3m s ARG 52 N -6.57 0.61 -0.00 3.49 0.52 -1.26 -5.07 118.95 110.67 2k3m s ARG 52 Ca 0.28 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 54.37 2k3m s ARG 52 Cb -0.12 0.24 -0.04 0.00 0.52 0.00 0.00 34.95 35.55 2k3m s ARG 52 CO 0.90 -0.15 1.16 -1.50 0.02 0.00 0.00 175.30 175.73 2k3m s ILE 53 N -2.83 4.27 -0.97 1.52 1.10 -1.26 -4.90 121.20 118.14 2k3m s ILE 53 Ca -0.03 1.62 -0.25 0.00 -0.51 0.00 0.00 60.65 61.48 2k3m s ILE 53 Cb 0.00 -4.04 -0.12 0.00 0.15 0.00 0.00 42.46 38.46 2k3m s ILE 53 CO -0.06 0.07 2.11 -1.58 -2.11 0.00 0.00 174.94 173.37 2k3m s GLN 54 N 1.55 1.99 0.05 3.50 2.00 -1.26 -4.88 119.66 122.60 2k3m s GLN 54 Ca 0.56 -0.29 -0.10 0.00 -2.00 0.00 0.00 55.36 53.54 2k3m s GLN 54 Cb -0.26 -5.01 0.01 0.00 0.80 0.00 0.00 33.01 28.55 2k3m s GLN 54 CO 0.26 -4.25 0.21 -1.50 -0.50 0.00 0.00 175.29 169.51 2k3m s ILE 55 N 13.06 0.11 0.00 -2.34 -1.16 -1.26 -4.91 121.20 124.69 2k3m s ILE 55 Ca 0.78 -0.90 0.00 0.00 -0.51 0.00 0.00 60.65 60.02 2k3m s ILE 55 Cb -0.07 -0.98 0.00 0.00 0.61 0.00 0.00 42.46 42.03 2k3m s ILE 55 CO 0.08 -0.50 0.00 0.61 -2.81 0.00 0.00 174.94 172.33 2k3m n GLY 56 N 0.56 0.62 3.40 1.50 0.00 -1.26 -5.08 105.19 104.93 2k3m n GLY 56 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.94 4.23 0.07 1.61 1.01 -1.26 -5.03 116.67 115.35 2k3m s ASP 57 Ca 0.00 -0.28 0.03 0.00 0.71 0.00 0.00 52.55 53.01 2k3m s ASP 57 Cb 0.00 -1.66 -0.03 0.00 1.01 0.00 0.00 42.92 42.24 2k3m s ASP 57 CO 0.00 0.16 -0.09 0.26 0.21 0.00 0.00 175.17 175.71 2k3m s TRP 58 N 0.39 0.89 0.33 4.23 0.51 -1.26 -4.99 118.94 119.05 2k3m s TRP 58 Ca -0.09 -0.57 0.19 0.00 -2.12 0.00 0.00 56.10 53.51 2k3m s TRP 58 Cb -0.15 -0.51 1.20 0.00 -0.81 0.00 0.00 33.47 33.20 2k3m s TRP 58 CO 0.05 -0.04 1.40 2.89 -0.51 0.00 0.00 176.95 180.73 2k3m n ARG 59 N 1.05 -0.05 0.05 4.98 1.85 -1.26 0.14 116.66 123.41 2k3m n ARG 59 Ca -0.20 1.22 -0.03 0.00 -1.00 0.00 0.00 57.85 57.84 2k3m n ARG 59 Cb 0.56 -2.20 -0.08 0.00 -1.05 0.00 0.00 32.46 29.69 2k3m n ARG 59 CO 0.00 0.00 0.00 -0.92 -0.01 0.00 0.00 177.63 176.70 2k3m h TYR 60 N 0.00 0.00 0.00 2.89 3.20 -2.03 -3.29 116.97 117.74 2k3m h TYR 60 Ca 0.76 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.63 2k3m h TYR 60 Cb 2.02 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.29 2k3m h TYR 60 CO -0.01 0.74 0.00 0.39 -1.64 0.00 0.00 178.16 177.64 2k3m n GLU 61 N -3.08 0.16 -0.00 1.82 1.02 0.37 -3.97 120.64 116.95 2k3m n GLU 61 Ca -0.07 0.17 -0.12 0.00 -0.02 0.00 0.00 57.16 57.11 2k3m n GLU 61 Cb 0.89 -1.70 -0.06 0.00 -0.02 0.00 0.00 31.44 30.55 2k3m n GLU 61 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2k3m h VAL 62 N 0.00 0.15 0.55 2.62 2.07 -0.72 1.77 116.25 122.69 2k3m h VAL 62 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2k3m h VAL 62 Cb 0.61 0.15 0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2k3m h VAL 62 CO 0.00 0.00 -0.27 0.00 0.02 0.00 0.00 177.57 177.32 2k3m h ALA 63 N 0.13 -0.74 -0.37 1.67 0.00 -1.83 4.29 119.26 122.41 2k3m h ALA 63 Ca 0.08 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2k3m h ALA 63 Cb 0.62 0.29 -0.09 0.00 0.00 0.00 0.00 17.79 18.61 2k3m h ALA 63 CO -0.40 -0.79 -0.43 1.25 0.00 0.00 0.00 179.25 178.88 2k3m h HIS 64 N -1.01 -1.26 -0.01 0.00 6.17 -1.65 0.98 115.15 118.38 2k3m h HIS 64 Ca -0.08 0.07 -0.02 0.00 0.71 0.00 0.00 60.37 61.05 2k3m h HIS 64 Cb 0.64 0.60 0.00 0.00 2.52 0.00 0.00 27.41 31.17 2k3m h HIS 64 CO 0.00 -0.45 -0.09 0.22 0.71 0.00 0.00 177.93 178.33 2k3m h ASP 65 N -0.35 0.09 0.00 3.26 3.58 0.27 -3.02 116.42 120.25 2k3m h ASP 65 Ca 0.13 -0.72 0.00 0.00 0.42 0.00 0.00 57.03 56.85 2k3m h ASP 65 Cb 0.59 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.61 2k3m h ASP 65 CO -0.55 0.80 0.00 0.61 -2.88 0.00 0.00 179.24 177.23 2k3m n GLY 66 N 0.88 1.30 0.00 -0.78 0.00 1.41 -3.11 105.19 104.88 2k3m n GLY 66 Ca -0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 0.46 0.60 -0.37 1.61 1.74 0.34 -3.98 116.66 117.06 2k3m n ARG 67 Ca 0.00 0.00 0.29 0.00 -0.77 0.00 0.00 57.85 57.37 2k3m n ARG 67 Cb 0.29 -1.22 0.45 0.00 -1.02 0.00 0.00 32.46 30.95 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 -0.72 0.00 0.18 0.55 0.00 -1.18 0.21 117.00 116.03 2k3m n LEU 68 Ca 0.06 0.56 -0.07 0.00 0.00 0.00 0.00 56.01 56.57 2k3m n LEU 68 Cb 0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 43.42 43.15 2k3m n LEU 68 CO 0.05 -0.56 0.40 -0.07 0.00 0.00 0.00 177.39 177.21 2k3m h LEU 69 N 0.00 -0.39 0.00 -1.96 3.38 -1.92 -1.87 115.31 112.55 2k3m h LEU 69 Ca 0.51 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.49 2k3m h LEU 69 Cb 2.15 0.10 0.00 0.00 0.09 0.00 0.00 40.66 43.01 2k3m h LEU 69 CO -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.29 2k3m n ALA 70 N -2.30 -0.01 0.00 1.53 0.00 0.56 -3.78 120.51 116.51 2k3m n ALA 70 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2k3m n ALA 70 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.00 0.23 -0.23 0.00 0.00 0.14 -4.09 120.51 115.55 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 -0.15 0.03 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.37 0.03 0.08 0.00 -0.00 -0.70 0.14 115.22 114.40 2k3m n HIS 72 Ca 0.00 0.75 -0.09 0.00 -0.00 0.00 0.00 57.72 58.38 2k3m n HIS 72 Cb 0.00 -0.74 -0.06 0.00 -0.00 0.00 0.00 29.99 29.19 2k3m n HIS 72 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 176.34 178.32 2k3m h MET 73 N 0.00 -0.29 -0.93 -1.40 4.05 -1.85 -3.30 114.93 111.21 2k3m h MET 73 Ca 0.22 0.02 0.26 0.00 -0.28 0.00 0.00 59.70 59.92 2k3m h MET 73 Cb 0.37 0.07 -0.14 0.00 -0.80 0.00 0.00 31.60 31.09 2k3m h MET 73 CO -0.61 0.02 0.37 0.28 0.23 0.00 0.00 176.91 177.20 2k3m h VAL 74 N -0.98 0.33 0.00 -5.77 2.07 -0.61 0.10 116.25 111.39 2k3m h VAL 74 Ca -0.03 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2k3m h VAL 74 Cb 0.45 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2k3m h VAL 74 CO 0.05 0.05 0.57 0.59 0.02 0.00 0.00 177.57 178.85 2k3m n ASN 75 N -5.15 0.00 0.29 0.57 3.02 0.36 0.20 115.26 114.56 2k3m n ASN 75 Ca 0.25 0.16 0.12 0.00 -0.03 0.00 0.00 54.58 55.08 2k3m n ASN 75 Cb 0.79 0.00 0.57 0.00 -0.61 0.00 0.00 39.78 40.53 2k3m n ASN 75 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2k3m h GLY 76 N 0.00 0.00 0.95 7.41 0.00 -1.01 0.25 103.07 110.67 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 0.06 0.16 0.00 0.00 0.00 176.54 176.76 2k3m h ILE 77 N 0.00 1.07 0.00 2.60 3.07 0.20 -0.11 117.51 124.35 2k3m h ILE 77 Ca 0.04 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 66.25 2k3m h ILE 77 Cb 1.16 1.00 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 2k3m h ILE 77 CO -0.00 0.07 0.12 1.62 -1.05 0.00 0.00 178.15 178.90 2k3m h VAL 78 N 0.10 0.00 0.12 0.16 3.04 -1.20 2.18 116.25 120.64 2k3m h VAL 78 Ca 0.04 0.00 -0.35 0.00 -1.01 0.00 0.00 66.70 65.38 2k3m h VAL 78 Cb 0.05 0.74 -0.02 0.00 -2.01 0.00 0.00 31.29 30.06 2k3m h VAL 78 CO -0.01 0.00 -1.93 0.16 -1.01 0.00 0.00 177.57 174.79 2k3m h ILE 79 N 0.00 0.69 0.00 3.17 3.07 -1.53 -3.28 117.51 119.63 2k3m h ILE 79 Ca 0.00 -2.41 0.00 0.00 1.55 0.00 0.00 64.86 64.00 2k3m h ILE 79 Cb 0.23 2.53 0.00 0.00 -0.27 0.00 0.00 36.82 39.31 2k3m h ILE 79 CO 0.00 0.85 -0.08 0.00 -1.05 0.00 0.00 178.15 177.87 2k3m h ALA 80 N 0.20 0.95 -0.58 0.16 0.00 0.11 -3.19 119.26 116.92 2k3m h ALA 80 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2k3m h ALA 80 Cb 2.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.83 2k3m h ALA 80 CO 0.10 0.00 0.00 -1.91 0.00 0.00 0.00 179.25 177.44 2k3m n GLU 81 N -2.54 0.00 0.07 0.00 2.13 0.71 -4.77 120.64 116.23 2k3m n GLU 81 Ca 0.05 0.13 0.12 0.00 0.66 0.00 0.00 57.16 58.11 2k3m n GLU 81 Cb 0.47 -0.56 0.12 0.00 0.27 0.00 0.00 31.44 31.74 2k3m n GLU 81 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2k3m h ASP 82 N 0.00 0.00 -0.65 4.31 3.32 -1.77 -3.39 116.42 118.24 2k3m h ASP 82 Ca 0.00 -0.19 0.09 0.00 0.02 0.00 0.00 57.03 56.94 2k3m h ASP 82 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 2k3m h ASP 82 CO 0.00 0.10 0.29 0.00 -1.72 0.00 0.00 179.24 177.90 2k3m h ALA 83 N 2.42 0.86 -1.75 3.45 0.00 -1.61 -0.77 119.26 121.87 2k3m h ALA 83 Ca 0.00 0.06 0.51 0.00 0.00 0.00 0.00 54.91 55.48 2k3m h ALA 83 Cb 0.79 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 2k3m h ALA 83 CO 0.00 -0.12 1.38 1.25 0.00 0.00 0.00 179.25 181.77 2k3m h LEU 84 N 0.50 0.00 0.15 0.00 7.12 -1.76 3.50 115.31 124.82 2k3m h LEU 84 Ca 0.32 0.00 -0.32 0.00 0.13 0.00 0.00 57.88 58.01 2k3m h LEU 84 Cb 0.35 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.49 2k3m h LEU 84 CO -0.28 0.00 -1.56 0.40 -0.13 0.00 0.00 178.44 176.88 2k3m h ILE 85 N 0.00 1.14 0.00 4.05 2.04 -1.44 -3.37 117.51 119.93 2k3m h ILE 85 Ca 0.83 -2.74 -0.22 0.00 1.00 0.00 0.00 64.86 63.73 2k3m h ILE 85 Cb 3.59 2.81 -0.04 0.00 -0.74 0.00 0.00 36.82 42.44 2k3m h ILE 85 CO -0.01 0.83 -1.74 0.00 0.00 0.00 0.00 178.15 177.23 2k3m n ALA 86 N -2.71 1.85 0.04 1.87 0.00 0.65 -4.05 120.51 118.17 2k3m n ALA 86 Ca -0.18 -0.76 0.02 0.00 0.00 0.00 0.00 53.44 52.53 2k3m n ALA 86 Cb 1.06 -0.74 0.11 0.00 0.00 0.00 0.00 19.45 19.88 2k3m n ALA 86 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k3m n GLU 87 N -2.82 0.03 0.00 0.00 4.07 1.01 0.13 120.64 123.07 2k3m n GLU 87 Ca -0.16 0.42 0.09 0.00 -0.06 0.00 0.00 57.16 57.46 2k3m n GLU 87 Cb 0.92 -1.75 0.54 0.00 -0.06 0.00 0.00 31.44 31.09 2k3m n GLU 87 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k3m n ALA 88 N -1.43 2.35 -1.70 4.31 0.00 -1.26 -2.14 120.51 120.64 2k3m n ALA 88 Ca -0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.15 2k3m n ALA 88 Cb 0.17 -1.30 0.10 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.89 2.70 0.09 0.00 0.24 0.35 -4.70 118.33 116.12 2k3m n VAL 89 Ca 0.14 -3.49 -0.18 0.00 -2.04 0.00 0.00 64.34 58.76 2k3m n VAL 89 Cb 0.06 -0.83 -0.10 0.00 -1.47 0.00 0.00 33.84 31.50 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 1.70 0.56 0.95 7.63 0.00 -1.62 -3.15 103.07 109.13 2k3m h GLY 90 Ca 0.34 -1.13 0.00 0.00 0.00 0.00 0.00 47.33 46.53 2k3m h GLY 90 CO 0.73 1.00 0.18 -1.05 0.00 0.00 0.00 176.54 177.40 2k3m n PRO 91 N -3.73 0.00 0.08 4.80 -0.02 -1.26 -0.72 135.00 134.15 2k3m n PRO 91 Ca -0.10 0.21 0.04 0.00 -2.02 0.00 0.00 63.50 61.63 2k3m n PRO 91 Cb 0.94 -1.68 0.22 0.00 -0.02 0.00 0.00 33.50 32.96 2k3m n PRO 91 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2k3m n HIS 92 N -1.16 0.28 0.28 6.00 1.44 -1.19 -1.20 115.22 119.67 2k3m n HIS 92 Ca 0.00 0.15 -0.12 0.00 -2.01 0.00 0.00 57.72 55.73 2k3m n HIS 92 Cb 0.18 -0.64 -0.06 0.00 0.12 0.00 0.00 29.99 29.59 2k3m n HIS 92 CO 0.00 0.00 0.00 1.37 -2.81 0.00 0.00 176.34 174.90 2k3m h LEU 93 N 0.00 -0.65 -0.08 2.39 8.10 -1.21 0.88 115.31 124.74 2k3m h LEU 93 Ca 0.00 0.00 0.02 0.00 0.11 0.00 0.00 57.88 58.01 2k3m h LEU 93 Cb 0.22 0.17 -0.02 0.00 -0.44 0.00 0.00 40.66 40.59 2k3m h LEU 93 CO 0.00 -0.25 -0.02 0.00 -4.11 0.00 0.00 178.44 174.06 2k3m h ALA 94 N -1.14 0.05 0.49 0.17 0.00 -1.42 -1.83 119.26 115.57 2k3m h ALA 94 Ca -0.08 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2k3m h ALA 94 Cb 0.60 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2k3m h ALA 94 CO 0.13 -0.49 -0.40 -0.09 0.00 0.00 0.00 179.25 178.40 2k3m h ARG 95 N -0.01 -0.84 0.00 0.00 9.65 -1.53 0.60 114.38 122.25 2k3m h ARG 95 Ca 0.04 0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 2k3m h ARG 95 Cb 0.07 0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 2k3m h ARG 95 CO -0.09 -0.56 0.26 0.00 2.80 0.00 0.00 179.97 182.38 2k3m n ALA 96 N -2.67 0.47 0.00 2.80 0.00 0.31 -4.41 120.51 117.01 2k3m n ALA 96 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2k3m n ALA 96 Cb 0.40 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.21 0.00 0.06 0.00 -0.00 0.21 0.23 117.00 116.29 2k3m n LEU 97 Ca 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 56.01 56.21 2k3m n LEU 97 Cb 0.26 0.00 0.60 0.00 -0.00 0.00 0.00 43.42 44.28 2k3m n LEU 97 CO 0.00 0.00 1.18 1.23 -0.00 0.00 0.00 177.39 179.80 2k3m h GLY 98 N 0.00 0.00 2.00 -3.96 0.00 -1.85 6.09 103.07 105.35 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 -0.21 1.46 0.00 0.00 0.00 176.54 177.79 2k3m h GLN 99 N 0.00 0.00 -0.29 4.80 1.08 0.27 -2.32 115.11 118.65 2k3m h GLN 99 Ca 0.23 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.40 2k3m h GLN 99 Cb 1.65 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.07 2k3m h GLN 99 CO -0.00 0.21 0.03 0.82 -0.95 0.00 0.00 178.83 178.94 2k3m h ILE 100 N 0.00 1.24 0.50 2.54 2.04 1.24 -1.55 117.51 123.52 2k3m h ILE 100 Ca -0.00 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 2k3m h ILE 100 Cb 0.65 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 2k3m h ILE 100 CO 0.03 0.27 -0.48 0.58 0.00 0.00 0.00 178.15 178.55 2k3m h VAL 101 N 0.30 0.00 -0.22 1.67 2.07 -1.02 0.75 116.25 119.80 2k3m h VAL 101 Ca 0.09 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.67 2k3m h VAL 101 Cb 0.36 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2k3m h VAL 101 CO 0.01 0.00 0.55 0.00 0.02 0.00 0.00 177.57 178.15 2k3m h ARG 103 N 0.00 0.06 -0.82 0.00 2.43 0.02 -3.22 114.38 112.85 2k3m h ARG 103 Ca 0.10 -0.10 -0.26 0.00 -0.81 0.00 0.00 59.98 58.92 2k3m h ARG 103 Cb 1.21 0.04 -0.15 0.00 -0.42 0.00 0.00 29.97 30.64 2k3m h ARG 103 CO -0.00 1.05 0.32 0.98 -1.51 0.00 0.00 179.97 180.81 2k3m n TYR 104 N -4.27 2.43 0.00 2.20 9.36 0.24 -4.83 117.16 122.29 2k3m n TYR 104 Ca -0.30 -1.25 0.00 0.00 3.32 0.00 0.00 57.90 59.67 2k3m n TYR 104 Cb 0.74 -0.71 0.00 0.00 -0.63 0.00 0.00 39.34 38.74 2k3m n TYR 104 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k3m n GLY 105 N -0.27 -0.76 2.04 2.98 0.00 1.75 -4.85 105.19 106.08 2k3m n GLY 105 Ca 0.42 0.60 -0.05 0.00 0.00 0.00 0.00 46.02 46.99 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 -1.09 1.99 4.61 0.00 -0.83 -4.82 120.51 117.36 2k3m n ALA 106 Ca 0.00 0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.55 2k3m n ALA 106 Cb 0.00 -2.11 0.44 0.00 0.00 0.00 0.00 19.45 17.78 2k3m n ALA 106 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2k3m n THR 107 N -2.05 0.00 -0.07 0.00 5.66 -1.26 -3.36 114.28 113.20 2k3m n THR 107 Ca -0.03 -0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.85 2k3m n THR 107 Cb 0.54 -0.22 -0.08 0.00 -1.55 0.00 0.00 70.33 69.01 2k3m n THR 107 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 175.07 171.65 2k3m h VAL 108 N 0.03 0.95 -1.03 1.08 -1.51 -1.97 -3.39 116.25 110.41 2k3m h VAL 108 Ca 0.00 -1.83 0.25 0.00 -1.23 0.00 0.00 66.70 63.89 2k3m h VAL 108 Cb 0.01 1.91 -0.10 0.00 -2.13 0.00 0.00 31.29 30.97 2k3m h VAL 108 CO 0.00 0.32 0.64 0.16 -1.23 0.00 0.00 177.57 177.46 2k3m h ILE 109 N -1.00 0.54 -0.46 7.19 3.07 -1.94 -2.96 117.51 121.94 2k3m h ILE 109 Ca -0.09 -0.16 0.09 0.00 1.55 0.00 0.00 64.86 66.25 2k3m h ILE 109 Cb 0.79 0.02 -0.08 0.00 -0.27 0.00 0.00 36.82 37.28 2k3m h ILE 109 CO -0.05 0.09 -0.06 -0.65 -1.05 0.00 0.00 178.15 176.42 2k3m h PRO 110 N 0.48 0.05 0.05 0.16 0.11 -1.75 0.42 132.00 131.51 2k3m h PRO 110 Ca 0.61 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.71 2k3m h PRO 110 Cb 1.38 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.48 2k3m h PRO 110 CO -0.35 0.03 -0.02 -0.91 -0.21 0.00 0.00 178.00 176.54 2k3m h ASN 111 N 0.05 -0.05 -1.15 -2.05 2.35 -1.78 -2.59 115.58 110.35 2k3m h ASN 111 Ca 0.23 0.00 0.33 0.00 -0.55 0.00 0.00 56.30 56.31 2k3m h ASN 111 Cb 0.34 0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.68 2k3m h ASN 111 CO -0.43 -0.01 0.94 0.16 -1.65 0.00 0.00 177.43 176.44 2k3m h ILE 112 N -0.11 0.26 0.48 2.81 3.07 -1.63 0.51 117.51 122.89 2k3m h ILE 112 Ca -0.01 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.38 2k3m h ILE 112 Cb 0.05 0.31 0.00 0.00 -0.27 0.00 0.00 36.82 36.91 2k3m h ILE 112 CO 0.01 0.00 -0.23 -1.13 -1.05 0.00 0.00 178.15 175.75 2k3m h ASN 113 N 0.00 -0.54 -0.54 2.16 -1.24 -0.10 0.58 115.58 115.90 2k3m h ASN 113 Ca 0.55 -0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.51 2k3m h ASN 113 Cb 2.43 0.14 -0.03 0.00 0.73 0.00 0.00 38.32 41.59 2k3m h ASN 113 CO -0.01 -0.32 0.26 0.00 -1.29 0.00 0.00 177.43 176.08 2k3m h ALA 114 N -0.25 1.38 0.21 1.57 0.00 0.40 0.90 119.26 123.48 2k3m h ALA 114 Ca -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2k3m h ALA 114 Cb 0.54 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2k3m h ALA 114 CO 0.11 0.48 -0.10 0.00 0.00 0.00 0.00 179.25 179.74 2k3m h ALA 115 N 1.48 -0.28 -0.58 0.00 0.00 -1.19 -3.04 119.26 115.65 2k3m h ALA 115 Ca 0.20 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.13 2k3m h ALA 115 Cb 0.11 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 2k3m h ALA 115 CO -0.02 -0.27 -0.05 0.82 0.00 0.00 0.00 179.25 179.73 2k3m h ILE 116 N -1.05 0.48 -0.92 0.00 1.08 0.15 0.78 117.51 118.03 2k3m h ILE 116 Ca -0.03 -0.02 0.08 0.00 -0.39 0.00 0.00 64.86 64.50 2k3m h ILE 116 Cb 0.30 0.40 -0.11 0.00 -3.07 0.00 0.00 36.82 34.34 2k3m h ILE 116 CO 0.05 0.01 -0.54 1.21 -0.69 0.00 0.00 178.15 178.18 2k3m n GLU 117 N -5.32 -0.41 0.21 2.37 2.13 0.31 0.28 120.64 120.21 2k3m n GLU 117 Ca 0.08 1.47 -0.15 0.00 0.66 0.00 0.00 57.16 59.22 2k3m n GLU 117 Cb 0.33 -2.16 -0.08 0.00 0.27 0.00 0.00 31.44 29.80 2k3m n GLU 117 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2k3m h VAL 118 N 0.00 0.58 0.00 6.31 2.07 -0.60 0.80 116.25 125.41 2k3m h VAL 118 Ca 0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.67 2k3m h VAL 118 Cb 0.38 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2k3m h VAL 118 CO -0.87 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 176.61 2k3m n LEU 119 N -5.33 0.00 0.00 2.57 -0.00 0.24 -4.17 117.00 110.31 2k3m n LEU 119 Ca -0.10 0.93 0.00 0.00 -0.00 0.00 0.00 56.01 56.84 2k3m n LEU 119 Cb 0.24 -0.43 0.00 0.00 -0.00 0.00 0.00 43.42 43.23 2k3m n LEU 119 CO 0.34 -0.43 0.22 0.61 -0.00 0.00 0.00 177.39 178.13 2k3m n GLY 120 N -0.95 -1.51 0.00 -3.96 0.00 0.79 -5.00 105.19 94.55 2k3m n GLY 120 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.97 0.00 0.00 2.61 -1.04 0.28 -4.81 114.28 110.35 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 0.00 2.08 3.57 3.41 0.00 -1.26 -4.84 105.19 108.15 2k3m n GLY 122 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.34 0.00 -3.81 2.61 5.66 -1.26 -4.62 114.28 111.51 2k3m n THR 123 Ca 0.00 -0.12 -0.05 0.00 -3.05 0.00 0.00 64.05 60.83 2k3m n THR 123 Cb 0.00 -1.96 -0.01 0.00 -1.55 0.00 0.00 70.33 66.81 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 8.95 -0.16 -0.04 1.09 1.01 -1.26 -4.91 116.67 121.34 2k3m s ASP 124 Ca 0.83 -0.62 -0.05 0.00 0.71 0.00 0.00 52.55 53.43 2k3m s ASP 124 Cb -0.07 0.63 0.01 0.00 1.01 0.00 0.00 42.92 44.50 2k3m s ASP 124 CO 0.16 -1.19 0.13 -0.72 0.21 0.00 0.00 175.17 173.77 2k3m s TYR 125 N -3.24 -0.11 0.01 4.23 1.13 -1.26 -5.14 117.35 112.97 2k3m s TYR 125 Ca 0.13 0.26 -0.14 0.00 -1.41 0.00 0.00 57.07 55.91 2k3m s TYR 125 Cb -0.04 0.03 0.02 0.00 -1.10 0.00 0.00 41.96 40.87 2k3m s TYR 125 CO 0.06 -0.11 0.31 0.50 -2.51 0.00 0.00 175.55 173.79 2k3m s ARG 126 N -0.23 0.72 0.00 -3.49 6.06 -1.26 -5.01 118.95 115.75 2k3m s ARG 126 Ca -0.03 -0.32 0.00 0.00 -2.50 0.00 0.00 55.73 52.88 2k3m s ARG 126 Cb -0.02 0.32 0.00 0.00 0.06 0.00 0.00 34.95 35.30 2k3m s ARG 126 CO 0.00 -0.21 0.41 1.97 -2.50 0.00 0.00 175.30 174.97