#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 1.70 0.00 7.83 3.41 -1.26 -4.83 113.62 120.47 2k3m n SER 2 Ca 0.00 -1.69 0.00 0.00 -0.26 0.00 0.00 58.87 56.92 2k3m n SER 2 Cb 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 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 0.34 0.00 -3.79 4.04 2.03 -1.26 -5.18 116.55 112.73 2k3m n ASP 3 Ca 0.17 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.35 2k3m n ASP 3 Cb 0.34 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.64 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 -0.21 -0.05 -0.67 5.36 -1.26 -5.17 117.98 115.98 2k3m s PHE 4 Ca 0.00 0.48 -0.20 0.00 -0.96 0.00 0.00 56.93 56.25 2k3m s PHE 4 Cb 0.00 0.08 0.04 0.00 -0.34 0.00 0.00 43.02 42.80 2k3m s PHE 4 CO 0.00 -0.23 0.45 0.16 -1.46 0.00 0.00 175.22 174.14 2k3m s ASP 5 N -0.46 -0.38 0.00 6.13 1.47 -1.26 -4.94 116.67 117.23 2k3m s ASP 5 Ca -0.06 0.40 0.00 0.00 1.18 0.00 0.00 52.55 54.07 2k3m s ASP 5 Cb -0.04 0.47 0.00 0.00 -0.34 0.00 0.00 42.92 43.02 2k3m s ASP 5 CO 0.01 -0.46 0.00 0.41 0.68 0.00 0.00 175.17 175.81 2k3m n THR 6 N 1.37 0.00 0.01 2.11 -1.04 -1.26 -4.40 114.28 111.07 2k3m n THR 6 Ca -0.20 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.70 2k3m n THR 6 Cb 0.56 -0.04 -0.06 0.00 -1.82 0.00 0.00 70.33 68.97 2k3m n THR 6 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2k3m h GLU 7 N 0.00 0.05 0.50 -2.82 -0.00 -1.99 5.46 114.58 115.78 2k3m h GLU 7 Ca 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.33 2k3m h GLU 7 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 28.74 2k3m h GLU 7 CO 0.00 0.03 -0.24 0.07 -0.00 0.00 0.00 179.01 178.87 2k3m h ARG 8 N 0.05 -0.65 0.24 1.06 0.11 -1.96 0.43 114.38 113.67 2k3m h ARG 8 Ca 0.03 0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.14 2k3m h ARG 8 Cb 0.02 0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.25 2k3m h ARG 8 CO -0.04 -0.35 -0.12 0.28 0.10 0.00 0.00 179.97 179.84 2k3m h VAL 9 N -1.04 0.81 0.41 0.08 2.07 -1.89 -0.69 116.25 116.00 2k3m h VAL 9 Ca -0.07 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 2k3m h VAL 9 Cb 0.60 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2k3m h VAL 9 CO 0.11 0.12 -0.20 -1.28 0.02 0.00 0.00 177.57 176.35 2k3m h SER 10 N -0.63 -0.47 -0.30 0.57 0.87 1.09 -1.28 113.55 113.40 2k3m h SER 10 Ca -0.03 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 2k3m h SER 10 Cb 0.45 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 2k3m h SER 10 CO 0.06 -0.16 0.04 0.03 -0.53 0.00 0.00 176.83 176.27 2k3m h ARG 11 N -0.90 0.50 0.33 2.24 2.47 -0.35 2.24 114.38 120.90 2k3m h ARG 11 Ca -0.06 -0.14 -0.02 0.00 -1.26 0.00 0.00 59.98 58.51 2k3m h ARG 11 Cb 0.43 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 2k3m h ARG 11 CO 0.09 0.61 -0.16 0.00 0.56 0.00 0.00 179.97 181.07 2k3m h ALA 12 N 0.87 -0.44 0.23 0.04 0.00 0.43 0.59 119.26 120.98 2k3m h ALA 12 Ca 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2k3m h ALA 12 Cb 0.35 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2k3m h ALA 12 CO 0.01 -0.53 -0.11 -0.24 0.00 0.00 0.00 179.25 178.37 2k3m h VAL 13 N -0.87 0.81 0.84 0.00 3.04 -0.81 1.11 116.25 120.37 2k3m h VAL 13 Ca -0.04 -0.24 -0.04 0.00 -1.01 0.00 0.00 66.70 65.36 2k3m h VAL 13 Cb 0.52 0.96 0.01 0.00 -2.01 0.00 0.00 31.29 30.77 2k3m h VAL 13 CO 0.07 0.06 -0.40 0.00 -1.01 0.00 0.00 177.57 176.29 2k3m h ALA 14 N 0.31 -1.25 0.15 3.17 0.00 0.37 2.61 119.26 124.62 2k3m h ALA 14 Ca -0.03 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2k3m h ALA 14 Cb 0.33 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2k3m h ALA 14 CO 0.05 -1.17 -0.35 0.00 0.00 0.00 0.00 179.25 177.79 2k3m h ALA 15 N -1.44 -0.62 0.42 0.00 0.00 0.18 2.06 119.26 119.87 2k3m h ALA 15 Ca -0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2k3m h ALA 15 Cb 0.86 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2k3m h ALA 15 CO 0.19 -0.90 -0.20 0.00 0.00 0.00 0.00 179.25 178.33 2k3m h ALA 16 N -0.00 -0.57 0.40 0.00 0.00 0.13 2.30 119.26 121.51 2k3m h ALA 16 Ca 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2k3m h ALA 16 Cb 0.61 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2k3m h ALA 16 CO -0.18 -0.68 -0.32 1.25 0.00 0.00 0.00 179.25 179.31 2k3m h LEU 17 N -0.84 -0.85 0.33 0.00 5.85 0.47 2.31 115.31 122.58 2k3m h LEU 17 Ca -0.06 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2k3m h LEU 17 Cb 0.55 0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.86 2k3m h LEU 17 CO 0.10 -0.48 -0.16 -0.37 -0.34 0.00 0.00 178.44 177.19 2k3m h VAL 18 N -0.72 0.33 -0.48 1.05 -1.51 0.34 -3.35 116.25 111.91 2k3m h VAL 18 Ca -0.03 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 2k3m h VAL 18 Cb 0.63 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.33 2k3m h VAL 18 CO -0.02 0.08 0.00 0.61 -1.23 0.00 0.00 177.57 177.01 2k3m n GLY 19 N 0.37 -3.17 0.19 5.19 0.00 0.78 -4.81 105.19 103.73 2k3m n GLY 19 Ca -0.07 -1.26 0.08 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.75 -3.28 132.00 129.60 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 0.19 -0.42 0.78 -0.23 0.00 0.00 178.00 178.31 2k3m h GLY 21 N 3.81 -1.24 0.97 1.56 0.00 -1.75 3.28 103.07 109.71 2k3m h GLY 21 Ca -0.00 0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.76 2k3m h GLY 21 CO 0.02 -0.45 -0.23 -1.33 0.00 0.00 0.00 176.54 174.55 2k3m h GLY 22 N -1.22 -0.65 1.05 4.60 0.00 0.37 0.99 103.07 108.21 2k3m h GLY 22 Ca -0.12 0.25 0.09 0.00 0.00 0.00 0.00 47.33 47.55 2k3m h GLY 22 CO 0.20 -0.24 0.41 -2.08 0.00 0.00 0.00 176.54 174.83 2k3m h VAL 23 N -0.63 0.92 0.68 4.60 2.07 -1.34 0.12 116.25 122.67 2k3m h VAL 23 Ca -0.06 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 2k3m h VAL 23 Cb 0.49 0.41 0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2k3m h VAL 23 CO 0.09 0.09 -0.33 0.00 0.02 0.00 0.00 177.57 177.44 2k3m h ALA 24 N 1.68 -1.01 -0.05 1.67 0.00 0.72 -1.58 119.26 120.68 2k3m h ALA 24 Ca 0.28 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2k3m h ALA 24 Cb 0.49 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2k3m h ALA 24 CO -0.08 -0.95 0.03 1.25 0.00 0.00 0.00 179.25 179.50 2k3m h LEU 25 N -1.11 0.06 0.93 0.00 5.85 -0.48 0.12 115.31 120.69 2k3m h LEU 25 Ca -0.09 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 2k3m h LEU 25 Cb 0.70 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.72 2k3m h LEU 25 CO 0.15 0.10 -0.49 0.58 -0.34 0.00 0.00 178.44 178.44 2k3m h VAL 26 N 0.02 0.00 -0.86 1.05 2.07 -0.88 0.66 116.25 118.32 2k3m h VAL 26 Ca 0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.56 2k3m h VAL 26 Cb 0.05 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.77 2k3m h VAL 26 CO -0.00 0.00 0.57 1.62 0.02 0.00 0.00 177.57 179.78 2k3m h VAL 27 N -1.31 1.19 0.32 2.57 3.04 -1.31 0.49 116.25 121.24 2k3m h VAL 27 Ca -0.13 -0.39 -0.02 0.00 -1.01 0.00 0.00 66.70 65.16 2k3m h VAL 27 Cb 1.02 -0.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.26 2k3m h VAL 27 CO 0.18 0.21 -0.15 0.50 -1.01 0.00 0.00 177.57 177.30 2k3m h LYS 28 N 1.13 -0.41 0.15 4.17 3.64 -0.61 -1.29 116.57 123.34 2k3m h LYS 28 Ca 0.33 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 2k3m h LYS 28 Cb -0.07 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2k3m h LYS 28 CO -0.08 -0.08 -0.07 0.28 -2.27 0.00 0.00 179.45 177.23 2k3m h VAL 29 N -0.89 0.99 0.63 2.00 2.07 0.50 0.12 116.25 121.67 2k3m h VAL 29 Ca -0.04 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 2k3m h VAL 29 Cb 0.52 1.38 0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2k3m h VAL 29 CO 0.07 0.15 -0.30 0.00 0.02 0.00 0.00 177.57 177.51 2k3m h ALA 31 N -1.31 0.00 -3.27 0.00 0.00 -1.32 -3.48 119.26 109.88 2k3m h ALA 31 Ca -0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2k3m h ALA 31 Cb 0.65 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.46 2k3m h ALA 31 CO 0.14 -0.38 -0.07 0.41 0.00 0.00 0.00 179.25 179.35 2k3m n GLY 32 N -0.48 0.41 0.73 0.00 0.00 0.42 -4.84 105.19 101.42 2k3m n GLY 32 Ca -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.54 -0.97 0.03 0.99 7.94 -1.26 -4.96 117.00 117.25 2k3m n LEU 33 Ca -0.01 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.00 2k3m n LEU 33 Cb 0.51 -0.48 0.44 0.00 0.53 0.00 0.00 43.42 44.42 2k3m n LEU 33 CO 0.06 0.00 0.84 -0.81 -1.11 0.00 0.00 177.39 176.37 2k3m n PRO 34 N 0.23 0.06 0.41 1.96 -0.04 -1.26 -3.76 135.00 132.59 2k3m n PRO 34 Ca 0.00 0.20 -0.18 0.00 -0.04 0.00 0.00 63.50 63.47 2k3m n PRO 34 Cb 0.00 -1.59 -0.09 0.00 -0.04 0.00 0.00 33.50 31.78 2k3m n PRO 34 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2k3m h GLY 35 N 3.45 -1.28 -1.38 0.55 0.00 -1.99 -3.43 103.07 98.99 2k3m h GLY 35 Ca 0.00 0.52 -0.46 0.00 0.00 0.00 0.00 47.33 47.39 2k3m h GLY 35 CO 0.00 -0.43 0.14 -1.34 0.00 0.00 0.00 176.54 174.90 2k3m s VAL 36 N -5.70 2.18 0.00 4.60 -7.23 -1.25 -5.02 120.40 107.98 2k3m s VAL 36 Ca -0.18 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 59.48 2k3m s VAL 36 Cb 0.03 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.29 2k3m s VAL 36 CO 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 175.34 2k3m n ILE 37 N -2.90 0.00 -3.80 -0.62 3.06 -1.26 -4.93 119.36 108.91 2k3m n ILE 37 Ca 0.14 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.26 2k3m n ILE 37 Cb 0.60 0.00 -0.13 0.00 0.54 0.00 0.00 39.64 40.65 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.00 -2.50 0.00 0.00 176.55 173.05 2k3m s HIS 38 N 0.00 -0.15 -0.26 9.51 3.76 -1.26 -5.11 115.29 121.78 2k3m s HIS 38 Ca 0.00 0.39 -0.07 0.00 -0.15 0.00 0.00 55.06 55.23 2k3m s HIS 38 Cb 0.00 0.01 -0.02 0.00 1.11 0.00 0.00 32.58 33.68 2k3m s HIS 38 CO 0.00 -0.10 0.07 -0.08 -0.85 0.00 0.00 174.74 173.78 2k3m s THR 39 N 0.41 4.18 0.61 1.30 -1.32 -1.26 -4.98 115.64 114.59 2k3m s THR 39 Ca -0.03 -0.32 0.26 0.00 -1.21 0.00 0.00 61.69 60.38 2k3m s THR 39 Cb -0.04 -3.01 0.34 0.00 -1.51 0.00 0.00 72.50 68.28 2k3m s THR 39 CO -0.02 0.27 1.61 -0.65 -2.21 0.00 0.00 174.62 173.63 2k3m h PRO 40 N 8.24 0.00 -5.12 7.08 0.11 -2.08 -3.38 132.00 136.84 2k3m h PRO 40 Ca -0.37 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.22 2k3m h PRO 40 Cb 1.16 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.96 2k3m h PRO 40 CO 0.59 0.00 -0.82 0.00 -0.21 0.00 0.00 178.00 177.56 2k3m s ALA 41 N -4.42 1.32 0.09 -0.75 0.00 -1.26 -5.14 121.76 111.60 2k3m s ALA 41 Ca -0.03 -0.59 -0.27 0.00 0.00 0.00 0.00 51.96 51.07 2k3m s ALA 41 Cb 0.13 -0.44 0.08 0.00 0.00 0.00 0.00 23.12 22.89 2k3m s ALA 41 CO 0.43 0.24 0.95 -0.98 0.00 0.00 0.00 175.76 176.40 2k3m s ARG 42 N 0.04 1.03 0.00 0.00 1.70 -1.26 -4.97 118.95 115.49 2k3m s ARG 42 Ca -0.03 -0.52 0.00 0.00 -0.47 0.00 0.00 55.73 54.72 2k3m s ARG 42 Cb -0.10 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.67 2k3m s ARG 42 CO 0.01 -0.47 0.07 -2.13 -1.08 0.00 0.00 175.30 171.70 2k3m n ARG 43 N -0.39 0.11 0.00 3.89 3.00 -1.26 -4.64 116.66 117.36 2k3m n ARG 43 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 2k3m n ARG 43 Cb 0.61 -1.15 0.00 0.00 0.00 0.00 0.00 32.46 31.92 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 0.57 0.84 3.80 5.14 0.00 -1.26 -4.67 105.19 109.62 2k3m n GLY 44 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -0.05 0.00 1.61 -0.71 -1.26 -5.07 117.98 112.50 2k3m s PHE 45 Ca 0.00 -0.31 0.00 0.00 -1.04 0.00 0.00 56.93 55.58 2k3m s PHE 45 Cb 0.00 0.67 0.00 0.00 -1.21 0.00 0.00 43.02 42.48 2k3m s PHE 45 CO 0.00 -0.92 0.00 0.34 -1.34 0.00 0.00 175.22 173.30 2k3m n PHE 46 N -0.54 0.00 0.00 3.49 -0.00 -1.26 -5.12 117.46 114.03 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 2.89 -0.00 0.00 0.00 176.76 179.65 2k3m n ARG 47 N 1.12 0.00 -3.04 -4.13 1.85 -1.26 -5.01 116.66 106.19 2k3m n ARG 47 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.81 2k3m n ARG 47 Cb 0.00 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.43 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2k3m s ASN 49 N -3.06 1.92 -0.04 0.00 0.02 -1.26 -5.02 114.94 107.50 2k3m s ASN 49 Ca 0.11 -1.05 -0.01 0.00 -1.02 0.00 0.00 52.86 50.89 2k3m s ASN 49 Cb -0.01 -0.03 -0.02 0.00 0.02 0.00 0.00 41.25 41.21 2k3m s ASN 49 CO 0.72 -0.34 0.93 -0.81 0.02 0.00 0.00 177.10 177.62 2k3m n PRO 50 N -0.26 0.26 -3.16 -0.60 -0.04 -1.26 -4.54 135.00 125.39 2k3m n PRO 50 Ca -0.09 -0.25 -0.18 0.00 -0.04 0.00 0.00 63.50 62.93 2k3m n PRO 50 Cb 0.61 -1.69 -0.04 0.00 -0.04 0.00 0.00 33.50 32.34 2k3m n PRO 50 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2k3m n GLU 51 N 3.44 -0.91 -4.98 0.54 0.00 -1.26 -4.88 120.64 112.59 2k3m n GLU 51 Ca 0.06 0.06 -0.28 0.00 0.00 0.00 0.00 57.16 56.99 2k3m n GLU 51 Cb 0.08 -2.05 -0.15 0.00 0.00 0.00 0.00 31.44 29.32 2k3m n GLU 51 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2k3m s ARG 52 N -4.52 1.72 0.10 3.44 0.52 -1.26 -5.04 118.95 113.91 2k3m s ARG 52 Ca 0.23 -0.87 -0.29 0.00 -0.52 0.00 0.00 55.73 54.28 2k3m s ARG 52 Cb -0.13 -1.73 -0.16 0.00 0.52 0.00 0.00 34.95 33.45 2k3m s ARG 52 CO 0.49 0.46 0.67 1.51 0.02 0.00 0.00 175.30 178.46 2k3m n ILE 53 N 2.29 1.00 -2.89 1.52 0.13 -1.26 -4.83 119.36 115.33 2k3m n ILE 53 Ca -0.16 -0.25 -0.44 0.00 -1.10 0.00 0.00 62.75 60.80 2k3m n ILE 53 Cb 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.33 2k3m n ILE 53 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2k3m n GLN 54 N 1.07 3.53 -3.88 9.51 3.00 -1.26 -4.94 117.38 124.41 2k3m n GLN 54 Ca 0.17 -3.93 -0.11 0.00 -0.01 0.00 0.00 57.00 53.12 2k3m n GLN 54 Cb 0.16 -2.90 -0.10 0.00 0.00 0.00 0.00 30.24 27.40 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 0.55 0.09 0.00 5.09 1.10 -1.26 -4.86 121.20 121.90 2k3m s ILE 55 Ca 0.39 -0.74 0.00 0.00 -0.51 0.00 0.00 60.65 59.79 2k3m s ILE 55 Cb -0.01 -0.45 0.00 0.00 0.15 0.00 0.00 42.46 42.15 2k3m s ILE 55 CO -0.00 -0.41 0.00 0.61 -2.11 0.00 0.00 174.94 173.03 2k3m n GLY 56 N 1.41 0.72 3.53 1.50 0.00 -1.26 -4.99 105.19 106.10 2k3m n GLY 56 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.28 6.38 0.96 1.61 1.01 -1.26 -5.04 116.67 118.06 2k3m s ASP 57 Ca 0.00 -0.22 -0.16 0.00 0.71 0.00 0.00 52.55 52.88 2k3m s ASP 57 Cb 0.00 -2.44 0.21 0.00 1.01 0.00 0.00 42.92 41.70 2k3m s ASP 57 CO 0.00 -1.17 1.32 0.26 0.21 0.00 0.00 175.17 175.80 2k3m s TRP 58 N 3.87 1.47 -0.22 4.23 0.51 -1.26 -5.06 118.94 122.48 2k3m s TRP 58 Ca 0.32 0.25 -0.15 0.00 -2.12 0.00 0.00 56.10 54.40 2k3m s TRP 58 Cb -0.12 -4.13 -0.09 0.00 -0.81 0.00 0.00 33.47 28.33 2k3m s TRP 58 CO 0.21 -2.69 -0.33 0.54 -0.51 0.00 0.00 176.95 174.17 2k3m n ARG 59 N -3.77 0.53 0.07 4.98 3.00 -1.26 -4.56 116.66 115.65 2k3m n ARG 59 Ca 0.16 0.22 0.13 0.00 -0.01 0.00 0.00 57.85 58.35 2k3m n ARG 59 Cb 0.59 -1.41 0.47 0.00 0.00 0.00 0.00 32.46 32.12 2k3m n ARG 59 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 2k3m n TYR 60 N -4.27 0.63 0.39 -1.55 4.11 -1.26 -2.93 117.16 112.29 2k3m n TYR 60 Ca -0.35 0.19 0.11 0.00 -0.00 0.00 0.00 57.90 57.84 2k3m n TYR 60 Cb 0.71 -0.81 0.46 0.00 -0.00 0.00 0.00 39.34 39.70 2k3m n TYR 60 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 2k3m n GLU 61 N -2.02 0.16 -0.26 -3.48 2.13 -1.26 -3.50 120.64 112.41 2k3m n GLU 61 Ca 0.06 0.41 -0.01 0.00 0.66 0.00 0.00 57.16 58.28 2k3m n GLU 61 Cb 0.39 -1.82 0.06 0.00 0.27 0.00 0.00 31.44 30.34 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 0.19 -0.15 6.31 -1.51 -1.79 1.85 116.25 121.15 2k3m h VAL 62 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.44 2k3m h VAL 62 Cb 0.32 0.19 -0.00 0.00 -2.13 0.00 0.00 31.29 29.67 2k3m h VAL 62 CO 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 177.57 176.31 2k3m h ALA 63 N 1.49 0.20 0.39 5.19 0.00 -1.86 2.04 119.26 126.71 2k3m h ALA 63 Ca 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2k3m h ALA 63 Cb 0.56 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2k3m h ALA 63 CO -0.77 -0.05 -0.50 0.45 0.00 0.00 0.00 179.25 178.38 2k3m h HIS 64 N -0.02 -1.40 0.16 0.00 -0.00 -0.68 -0.85 115.15 112.35 2k3m h HIS 64 Ca 0.04 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.42 2k3m h HIS 64 Cb 0.46 0.56 0.00 0.00 -0.00 0.00 0.00 27.41 28.43 2k3m h HIS 64 CO 0.05 -0.64 -0.08 0.22 -0.00 0.00 0.00 177.93 177.48 2k3m h ASP 65 N -0.92 -0.18 0.00 2.45 1.82 0.26 -2.61 116.42 117.24 2k3m h ASP 65 Ca -0.04 -0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 2k3m h ASP 65 Cb 0.83 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.89 2k3m h ASP 65 CO -0.13 0.14 0.00 0.61 -1.61 0.00 0.00 179.24 178.25 2k3m n GLY 66 N -0.36 0.42 0.00 -0.78 0.00 0.69 -3.01 105.19 102.15 2k3m n GLY 66 Ca -0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 0.85 0.55 -0.49 1.61 5.12 -0.34 -3.99 116.66 119.97 2k3m n ARG 67 Ca 0.00 0.01 0.38 0.00 -1.93 0.00 0.00 57.85 56.31 2k3m n ARG 67 Cb 0.10 -1.50 0.59 0.00 -1.16 0.00 0.00 32.46 30.49 2k3m n ARG 67 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 2k3m n LEU 68 N -1.21 0.00 0.23 0.55 -0.00 -1.16 0.32 117.00 115.74 2k3m n LEU 68 Ca 0.16 0.74 -0.09 0.00 -0.00 0.00 0.00 56.01 56.82 2k3m n LEU 68 Cb 0.19 -0.35 -0.04 0.00 -0.00 0.00 0.00 43.42 43.22 2k3m n LEU 68 CO 0.21 -0.74 0.45 0.25 -0.00 0.00 0.00 177.39 177.55 2k3m h LEU 69 N 0.00 -0.51 0.00 1.47 6.46 -1.91 -0.21 115.31 120.60 2k3m h LEU 69 Ca 0.67 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.45 2k3m h LEU 69 Cb 2.83 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 42.90 2k3m h LEU 69 CO -0.01 -0.33 0.00 0.00 -0.62 0.00 0.00 178.44 177.48 2k3m n ALA 70 N -2.36 -0.07 0.00 1.25 0.00 0.97 -3.58 120.51 116.73 2k3m n ALA 70 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2k3m n ALA 70 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 -1.79 0.38 -0.03 0.00 0.00 0.46 -4.20 120.51 115.33 2k3m n ALA 71 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2k3m n ALA 71 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 19.45 19.19 2k3m n ALA 71 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2k3m n HIS 72 N -0.61 -0.03 -0.04 0.00 -0.00 -0.09 0.18 115.22 114.63 2k3m n HIS 72 Ca 0.00 0.10 -0.13 0.00 -0.00 0.00 0.00 57.72 57.68 2k3m n HIS 72 Cb 0.00 -0.39 -0.12 0.00 -0.00 0.00 0.00 29.99 29.49 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 -0.00 -0.88 1.57 4.05 -1.84 -3.32 114.93 114.50 2k3m h MET 73 Ca 0.01 0.00 0.23 0.00 -0.28 0.00 0.00 59.70 59.66 2k3m h MET 73 Cb 0.03 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 30.68 2k3m h MET 73 CO -0.07 0.77 0.09 0.28 0.23 0.00 0.00 176.91 178.21 2k3m h VAL 74 N -0.78 0.21 0.00 -5.77 2.07 0.17 0.39 116.25 112.54 2k3m h VAL 74 Ca -0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2k3m h VAL 74 Cb 0.77 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2k3m h VAL 74 CO 0.00 0.02 0.81 -3.20 0.02 0.00 0.00 177.57 175.22 2k3m n ASN 75 N -5.36 0.00 0.32 0.57 5.15 0.16 -0.08 115.26 116.01 2k3m n ASN 75 Ca 0.20 0.39 0.04 0.00 -0.60 0.00 0.00 54.58 54.62 2k3m n ASN 75 Cb 0.66 0.00 0.24 0.00 -0.53 0.00 0.00 39.78 40.14 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 0.00 8.20 0.00 -0.44 0.75 103.07 111.58 2k3m h GLY 76 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 2k3m h GLY 76 CO 0.00 0.00 -1.18 0.29 0.00 0.00 0.00 176.54 175.65 2k3m n ILE 77 N -2.55 1.52 -0.33 2.60 -5.35 0.88 -3.31 119.36 112.81 2k3m n ILE 77 Ca -0.01 0.00 0.29 0.00 -0.27 0.00 0.00 62.75 62.77 2k3m n ILE 77 Cb 0.80 -2.09 0.49 0.00 -1.74 0.00 0.00 39.64 37.10 2k3m n ILE 77 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 2k3m n VAL 78 N -4.46 -0.21 0.09 7.28 0.31 0.26 0.43 118.33 122.03 2k3m n VAL 78 Ca -0.29 1.38 0.09 0.00 -0.01 0.00 0.00 64.34 65.52 2k3m n VAL 78 Cb 0.63 -2.27 -0.02 0.00 -0.91 0.00 0.00 33.84 31.27 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 0.70 1.23 2.52 -5.35 -1.11 -3.75 119.36 109.31 2k3m n ILE 79 Ca 0.30 -0.57 0.14 0.00 -0.27 0.00 0.00 62.75 62.34 2k3m n ILE 79 Cb 1.13 -0.40 0.59 0.00 -1.74 0.00 0.00 39.64 39.23 2k3m n ILE 79 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k3m n ALA 80 N -2.22 2.68 0.02 -1.28 0.00 1.47 -2.86 120.51 118.31 2k3m n ALA 80 Ca -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 53.44 53.21 2k3m n ALA 80 Cb 0.60 -1.38 -0.00 0.00 0.00 0.00 0.00 19.45 18.67 2k3m n ALA 80 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k3m h GLU 81 N 0.19 -0.05 0.86 0.00 4.39 -0.58 -3.38 114.58 116.00 2k3m h GLU 81 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2k3m h GLU 81 Cb 0.41 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2k3m h GLU 81 CO 0.00 -0.03 -0.45 0.38 -1.16 0.00 0.00 179.01 177.74 2k3m h ASP 82 N -0.14 -1.10 0.00 1.42 2.03 -1.76 -3.32 116.42 113.54 2k3m h ASP 82 Ca -0.01 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 2k3m h ASP 82 Cb 0.04 0.30 0.00 0.00 -0.83 0.00 0.00 39.33 38.84 2k3m h ASP 82 CO 0.01 -0.74 0.00 0.00 -1.03 0.00 0.00 179.24 177.48 2k3m n ALA 83 N -2.66 0.00 -0.11 4.15 0.00 -1.14 -0.10 120.51 120.65 2k3m n ALA 83 Ca -0.15 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.35 2k3m n ALA 83 Cb 0.49 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.07 2k3m n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k3m n LEU 84 N 0.00 0.01 -0.13 0.00 4.77 -1.25 0.27 117.00 120.66 2k3m n LEU 84 Ca 0.00 0.57 -0.28 0.00 -0.03 0.00 0.00 56.01 56.28 2k3m n LEU 84 Cb 0.00 -0.23 -0.10 0.00 -2.33 0.00 0.00 43.42 40.76 2k3m n LEU 84 CO 0.00 -0.60 -1.24 2.30 -1.33 0.00 0.00 177.39 176.52 2k3m n ILE 85 N -4.13 1.53 -0.32 -0.08 -6.64 0.85 -4.38 119.36 106.19 2k3m n ILE 85 Ca 0.09 -0.32 0.20 0.00 -1.77 0.00 0.00 62.75 60.96 2k3m n ILE 85 Cb 0.31 -1.90 0.41 0.00 -1.44 0.00 0.00 39.64 37.02 2k3m n ILE 85 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2k3m h ALA 86 N -0.84 1.69 0.00 -1.28 0.00 0.10 0.16 119.26 119.10 2k3m h ALA 86 Ca -0.62 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2k3m h ALA 86 Cb 1.57 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2k3m h ALA 86 CO -0.36 -0.56 0.00 -0.85 0.00 0.00 0.00 179.25 177.48 2k3m n GLU 87 N -5.15 0.03 0.00 0.00 0.28 0.76 -0.18 120.64 116.38 2k3m n GLU 87 Ca 0.28 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.28 2k3m n GLU 87 Cb 0.89 -1.24 0.00 0.00 1.43 0.00 0.00 31.44 32.51 2k3m n GLU 87 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k3m n ALA 88 N 0.73 1.76 -1.48 -1.84 0.00 0.56 -4.65 120.51 115.59 2k3m n ALA 88 Ca 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.19 2k3m n ALA 88 Cb 0.01 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.79 3.01 -0.17 0.00 0.24 0.75 -4.67 118.33 116.70 2k3m n VAL 89 Ca 0.00 -2.90 -0.11 0.00 -2.04 0.00 0.00 64.34 59.30 2k3m n VAL 89 Cb 0.00 -0.74 0.00 0.00 -1.47 0.00 0.00 33.84 31.63 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 1.50 1.08 0.41 7.63 0.00 -1.83 -2.94 103.07 108.92 2k3m h GLY 90 Ca 0.45 -0.90 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2k3m h GLY 90 CO 0.96 0.82 0.53 -1.05 0.00 0.00 0.00 176.54 177.80 2k3m n PRO 91 N -4.17 0.03 0.24 4.80 -0.02 -1.26 0.14 135.00 134.76 2k3m n PRO 91 Ca 0.01 0.36 0.15 0.00 -2.02 0.00 0.00 63.50 62.00 2k3m n PRO 91 Cb 0.41 -2.11 0.80 0.00 -0.02 0.00 0.00 33.50 32.58 2k3m n PRO 91 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 2k3m h HIS 92 N 0.00 0.00 0.48 6.00 2.07 -1.91 -1.74 115.15 120.05 2k3m h HIS 92 Ca 0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 2k3m h HIS 92 Cb 1.05 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.04 2k3m h HIS 92 CO 0.00 0.00 -0.23 1.37 -3.07 0.00 0.00 177.93 176.00 2k3m h LEU 93 N 0.00 -0.55 -0.09 6.12 8.10 -0.58 0.65 115.31 128.96 2k3m h LEU 93 Ca 0.00 -0.02 0.03 0.00 0.11 0.00 0.00 57.88 58.00 2k3m h LEU 93 Cb 0.16 0.14 -0.04 0.00 -0.44 0.00 0.00 40.66 40.48 2k3m h LEU 93 CO 0.00 -0.13 -0.12 0.00 -4.11 0.00 0.00 178.44 174.08 2k3m h ALA 94 N -1.05 -0.05 0.35 0.17 0.00 -1.60 -2.11 119.26 114.97 2k3m h ALA 94 Ca -0.07 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k3m h ALA 94 Cb 0.54 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2k3m h ALA 94 CO 0.11 -0.58 -0.48 0.00 0.00 0.00 0.00 179.25 178.30 2k3m h ARG 95 N -0.15 -0.84 0.00 0.00 2.47 -1.41 0.43 114.38 114.88 2k3m h ARG 95 Ca 0.07 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 2k3m h ARG 95 Cb 0.26 0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 2k3m h ARG 95 CO -0.18 -0.56 0.41 0.00 0.56 0.00 0.00 179.97 180.20 2k3m n ALA 96 N -2.82 0.32 0.00 0.04 0.00 0.23 -4.31 120.51 113.97 2k3m n ALA 96 Ca -0.10 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2k3m n ALA 96 Cb 0.43 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 -1.48 0.00 0.16 0.00 -0.00 0.15 0.40 117.00 116.23 2k3m n LEU 97 Ca -0.00 0.00 0.18 0.00 -0.00 0.00 0.00 56.01 56.19 2k3m n LEU 97 Cb 0.42 0.00 0.68 0.00 -0.00 0.00 0.00 43.42 44.52 2k3m n LEU 97 CO 0.01 0.00 1.16 1.23 -0.00 0.00 0.00 177.39 179.79 2k3m h GLY 98 N 0.00 0.00 2.00 -3.96 0.00 -1.86 3.52 103.07 102.77 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 -0.19 -1.61 0.00 0.00 0.00 176.54 174.74 2k3m h GLN 99 N 0.00 0.00 -0.67 4.80 4.15 0.75 -1.74 115.11 122.39 2k3m h GLN 99 Ca 0.14 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.51 2k3m h GLN 99 Cb 1.21 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.87 2k3m h GLN 99 CO -0.00 0.19 0.22 0.97 -1.93 0.00 0.00 178.83 178.27 2k3m h ILE 100 N 0.00 1.24 0.93 2.39 6.09 0.65 -2.98 117.51 125.83 2k3m h ILE 100 Ca -0.00 -0.84 -0.05 0.00 -1.37 0.00 0.00 64.86 62.61 2k3m h ILE 100 Cb 0.61 0.50 0.01 0.00 0.47 0.00 0.00 36.82 38.40 2k3m h ILE 100 CO 0.02 0.33 -0.45 0.58 -3.07 0.00 0.00 178.15 175.56 2k3m h VAL 101 N 0.99 0.00 -0.08 2.19 2.07 -1.19 -0.34 116.25 119.88 2k3m h VAL 101 Ca 0.22 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.68 2k3m h VAL 101 Cb 0.27 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2k3m h VAL 101 CO -0.01 0.00 0.80 0.00 0.02 0.00 0.00 177.57 178.38 2k3m h ARG 103 N 0.00 0.23 -0.63 0.00 2.43 -1.23 -2.84 114.38 112.34 2k3m h ARG 103 Ca 0.04 -0.39 -0.05 0.00 -0.81 0.00 0.00 59.98 58.77 2k3m h ARG 103 Cb 1.63 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 31.30 2k3m h ARG 103 CO -0.00 1.07 0.06 0.98 -1.51 0.00 0.00 179.97 180.57 2k3m n TYR 104 N -3.40 2.18 0.00 2.20 9.36 0.65 -4.81 117.16 123.34 2k3m n TYR 104 Ca -0.26 -0.83 0.00 0.00 3.32 0.00 0.00 57.90 60.13 2k3m n TYR 104 Cb 1.05 -0.56 0.00 0.00 -0.63 0.00 0.00 39.34 39.20 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 0.45 -1.33 2.60 2.98 0.00 0.79 -4.93 105.19 105.76 2k3m n GLY 105 Ca 0.31 0.57 -0.03 0.00 0.00 0.00 0.00 46.02 46.86 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 -2.75 -2.07 0.02 4.61 0.00 -1.07 -4.92 120.51 114.34 2k3m n ALA 106 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 2k3m n ALA 106 Cb 0.00 -2.06 -0.01 0.00 0.00 0.00 0.00 19.45 17.38 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 -0.04 0.00 -0.36 0.00 2.02 -1.94 -3.33 112.91 109.26 2k3m h THR 107 Ca -0.14 -0.79 -0.06 0.00 0.77 0.00 0.00 66.41 66.19 2k3m h THR 107 Cb 1.07 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 2k3m h THR 107 CO 0.24 0.00 -0.02 -0.37 0.37 0.00 0.00 175.52 175.74 2k3m h VAL 108 N -0.95 1.26 -0.72 3.16 -1.51 -2.00 -3.28 116.25 112.21 2k3m h VAL 108 Ca -0.02 -1.03 0.07 0.00 -1.23 0.00 0.00 66.70 64.49 2k3m h VAL 108 Cb 0.12 1.21 -0.09 0.00 -2.13 0.00 0.00 31.29 30.40 2k3m h VAL 108 CO 0.03 0.34 -0.43 -0.38 -1.23 0.00 0.00 177.57 175.90 2k3m n ILE 109 N -4.47 -0.49 0.30 7.19 2.08 -1.26 0.10 119.36 122.82 2k3m n ILE 109 Ca -0.02 1.90 0.19 0.00 0.56 0.00 0.00 62.75 65.39 2k3m n ILE 109 Cb 0.29 -2.37 0.96 0.00 -0.75 0.00 0.00 39.64 37.77 2k3m n ILE 109 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 2k3m h PRO 110 N 0.00 0.00 0.01 0.38 0.13 -1.67 -1.71 132.00 129.14 2k3m h PRO 110 Ca 0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2k3m h PRO 110 Cb 0.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.43 2k3m h PRO 110 CO -0.68 0.03 -0.00 -0.97 -0.23 0.00 0.00 178.00 176.14 2k3m h ASN 111 N 0.00 -0.01 0.96 1.44 -0.73 0.64 -2.78 115.58 115.10 2k3m h ASN 111 Ca -0.00 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.10 2k3m h ASN 111 Cb 0.21 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.79 2k3m h ASN 111 CO 0.00 -0.01 -0.35 0.16 -0.37 0.00 0.00 177.43 176.87 2k3m h ILE 112 N -0.01 0.78 0.16 2.57 -2.65 -1.62 -3.09 117.51 113.66 2k3m h ILE 112 Ca -0.00 -1.50 0.01 0.00 1.03 0.00 0.00 64.86 64.40 2k3m h ILE 112 Cb 0.01 1.95 -0.04 0.00 -2.05 0.00 0.00 36.82 36.68 2k3m h ILE 112 CO 0.00 0.34 -0.50 -1.13 0.03 0.00 0.00 178.15 176.90 2k3m h ASN 113 N 0.00 -1.47 0.61 2.16 -0.73 -1.36 0.81 115.58 115.61 2k3m h ASN 113 Ca -0.00 0.15 -0.00 0.00 1.87 0.00 0.00 56.30 58.32 2k3m h ASN 113 Cb 0.92 0.54 -0.00 0.00 0.27 0.00 0.00 38.32 40.05 2k3m h ASN 113 CO 0.05 -0.55 -0.01 0.00 -0.37 0.00 0.00 177.43 176.54 2k3m h ALA 114 N -0.46 1.02 0.17 1.57 0.00 -1.52 0.12 119.26 120.16 2k3m h ALA 114 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2k3m h ALA 114 Cb 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2k3m h ALA 114 CO -0.25 0.02 -0.08 0.00 0.00 0.00 0.00 179.25 178.94 2k3m h ALA 115 N 1.99 -0.24 -0.19 0.00 0.00 -0.67 -3.22 119.26 116.93 2k3m h ALA 115 Ca -0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 2k3m h ALA 115 Cb 0.32 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2k3m h ALA 115 CO 0.00 -0.22 -0.57 0.97 0.00 0.00 0.00 179.25 179.43 2k3m h ILE 116 N -0.98 1.31 -0.17 0.00 2.10 0.54 -3.15 117.51 117.15 2k3m h ILE 116 Ca -0.02 -1.79 0.04 0.00 1.08 0.00 0.00 64.86 64.17 2k3m h ILE 116 Cb 0.17 1.91 -0.07 0.00 -1.09 0.00 0.00 36.82 37.74 2k3m h ILE 116 CO 0.04 0.56 -0.49 -0.33 -1.08 0.00 0.00 178.15 176.85 2k3m h GLU 117 N 0.42 -0.50 0.00 2.19 3.07 -0.90 2.23 114.58 121.09 2k3m h GLU 117 Ca -0.02 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2k3m h GLU 117 Cb 1.19 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 2k3m h GLU 117 CO 0.12 -0.33 0.19 0.28 -1.40 0.00 0.00 179.01 177.87 2k3m n VAL 118 N -5.43 0.84 0.06 3.13 0.31 -1.21 -0.83 118.33 115.19 2k3m n VAL 118 Ca -0.05 0.71 -0.04 0.00 -0.01 0.00 0.00 64.34 64.96 2k3m n VAL 118 Cb 0.37 -1.71 -0.02 0.00 -0.91 0.00 0.00 33.84 31.57 2k3m n VAL 118 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2k3m h LEU 119 N 0.00 -0.21 0.00 7.52 7.12 0.37 -3.42 115.31 126.69 2k3m h LEU 119 Ca 0.00 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.02 2k3m h LEU 119 Cb 0.38 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.56 2k3m h LEU 119 CO 0.00 0.25 0.00 0.61 -0.13 0.00 0.00 178.44 179.17 2k3m n GLY 120 N 1.15 -0.91 0.00 3.75 0.00 -0.01 -4.94 105.19 104.22 2k3m n GLY 120 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.35 0.00 0.00 2.61 -1.04 -0.80 -5.03 114.28 109.67 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 2.45 2.35 3.41 0.00 -1.06 -4.84 105.19 107.50 2k3m n GLY 122 Ca 0.00 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.78 2.61 5.66 -1.26 -4.83 114.28 112.68 2k3m n THR 123 Ca 0.00 -0.15 -0.13 0.00 -3.05 0.00 0.00 64.05 60.72 2k3m n THR 123 Cb 0.00 -0.18 -0.09 0.00 -1.55 0.00 0.00 70.33 68.51 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 3.26 -0.18 -0.02 1.09 1.01 -1.26 -5.07 116.67 115.50 2k3m s ASP 124 Ca 0.90 0.15 -0.18 0.00 0.71 0.00 0.00 52.55 54.13 2k3m s ASP 124 Cb -0.72 0.36 0.03 0.00 1.01 0.00 0.00 42.92 43.61 2k3m s ASP 124 CO 0.35 -0.36 0.39 -0.72 0.21 0.00 0.00 175.17 175.04 2k3m s TYR 125 N -1.02 -0.28 -0.01 4.23 1.13 -1.26 -5.17 117.35 114.96 2k3m s TYR 125 Ca -0.11 0.44 -0.15 0.00 -1.41 0.00 0.00 57.07 55.84 2k3m s TYR 125 Cb -0.05 0.17 0.02 0.00 -1.10 0.00 0.00 41.96 41.00 2k3m s TYR 125 CO 0.03 -0.44 0.31 0.50 -2.51 0.00 0.00 175.55 173.44 2k3m s ARG 126 N -1.36 0.69 0.00 -3.49 6.06 -1.26 -5.21 118.95 114.38 2k3m s ARG 126 Ca -0.13 -0.23 0.00 0.00 -2.50 0.00 0.00 55.73 52.88 2k3m s ARG 126 Cb -0.04 0.30 0.00 0.00 0.06 0.00 0.00 34.95 35.27 2k3m s ARG 126 CO 0.05 -0.19 0.00 0.34 -2.50 0.00 0.00 175.30 173.00