#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 0.77 0.00 3.17 7.64 -1.26 -4.84 113.62 119.10 2k3m n SER 2 Ca 0.00 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.95 2k3m n SER 2 Cb 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 2k3m n SER 2 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k3m n ASP 3 N -0.11 0.00 -3.56 6.43 9.92 -1.26 -5.19 116.55 122.77 2k3m n ASP 3 Ca 0.06 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.17 2k3m n ASP 3 Cb 0.13 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.55 2k3m n ASP 3 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2k3m s PHE 4 N 0.00 -0.50 -0.06 1.24 5.36 -1.26 -5.17 117.98 117.59 2k3m s PHE 4 Ca 0.00 0.71 -0.17 0.00 -0.96 0.00 0.00 56.93 56.50 2k3m s PHE 4 Cb 0.00 0.35 0.03 0.00 -0.34 0.00 0.00 43.02 43.07 2k3m s PHE 4 CO 0.00 -0.61 0.40 0.16 -1.46 0.00 0.00 175.22 173.70 2k3m s ASP 5 N -1.63 -0.33 1.01 6.13 1.47 -1.26 -5.08 116.67 116.99 2k3m s ASP 5 Ca -0.08 0.38 -0.13 0.00 1.18 0.00 0.00 52.55 53.89 2k3m s ASP 5 Cb -0.01 0.48 0.19 0.00 -0.34 0.00 0.00 42.92 43.25 2k3m s ASP 5 CO 0.03 -0.40 1.11 -0.89 0.68 0.00 0.00 175.17 175.71 2k3m s THR 6 N -0.92 1.95 0.00 2.11 2.01 -1.26 -4.43 115.64 115.10 2k3m s THR 6 Ca -0.10 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.89 2k3m s THR 6 Cb -0.04 -2.58 -0.01 0.00 0.01 0.00 0.00 72.50 69.89 2k3m s THR 6 CO 0.04 0.00 1.02 -0.33 -0.69 0.00 0.00 174.62 174.67 2k3m h GLU 7 N -1.90 -0.04 -0.88 4.92 5.08 -2.02 3.35 114.58 123.10 2k3m h GLU 7 Ca -0.52 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.01 2k3m h GLU 7 Cb 1.33 0.01 -0.16 0.00 0.50 0.00 0.00 28.75 30.42 2k3m h GLU 7 CO 0.55 -0.03 -0.26 -0.09 -1.00 0.00 0.00 179.01 178.18 2k3m h ARG 8 N -0.04 -0.02 0.01 2.33 1.12 -1.98 0.88 114.38 116.69 2k3m h ARG 8 Ca -0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2k3m h ARG 8 Cb 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.00 2k3m h ARG 8 CO -0.01 -0.01 -0.00 -0.39 -3.11 0.00 0.00 179.97 176.45 2k3m h VAL 9 N -0.02 1.26 -0.99 0.20 -1.51 -1.88 0.57 116.25 113.89 2k3m h VAL 9 Ca 0.39 -0.80 0.07 0.00 -1.23 0.00 0.00 66.70 65.14 2k3m h VAL 9 Cb 0.63 1.80 -0.07 0.00 -2.13 0.00 0.00 31.29 31.52 2k3m h VAL 9 CO -0.90 0.21 0.63 -1.28 -1.23 0.00 0.00 177.57 175.00 2k3m h SER 10 N -0.35 1.00 0.00 4.19 0.87 1.05 0.23 113.55 120.54 2k3m h SER 10 Ca -0.00 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 2k3m h SER 10 Cb 0.35 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2k3m h SER 10 CO 0.00 0.62 -0.54 0.08 -0.53 0.00 0.00 176.83 176.45 2k3m h ARG 11 N 1.12 0.00 -0.49 2.24 0.11 0.51 -2.56 114.38 115.32 2k3m h ARG 11 Ca 0.44 0.00 0.10 0.00 0.10 0.00 0.00 59.98 60.61 2k3m h ARG 11 Cb 0.22 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.20 2k3m h ARG 11 CO -0.19 0.57 -0.26 0.00 0.10 0.00 0.00 179.97 180.19 2k3m h ALA 12 N -0.59 0.04 0.45 0.08 0.00 0.20 4.81 119.26 124.25 2k3m h ALA 12 Ca -0.12 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2k3m h ALA 12 Cb 0.80 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2k3m h ALA 12 CO -0.07 -0.61 -0.22 0.28 0.00 0.00 0.00 179.25 178.63 2k3m h VAL 13 N -0.15 0.55 0.44 0.00 2.07 -0.67 1.02 116.25 119.51 2k3m h VAL 13 Ca 0.22 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 2k3m h VAL 13 Cb 0.50 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2k3m h VAL 13 CO -0.58 0.03 -0.27 0.00 0.02 0.00 0.00 177.57 176.77 2k3m h ALA 14 N -0.18 -1.11 0.04 1.67 0.00 -0.12 2.34 119.26 121.89 2k3m h ALA 14 Ca -0.06 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.74 2k3m h ALA 14 Cb 0.51 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2k3m h ALA 14 CO 0.10 -1.08 -0.36 0.00 0.00 0.00 0.00 179.25 177.91 2k3m h ALA 15 N -1.52 -0.56 0.51 0.00 0.00 0.93 2.10 119.26 120.73 2k3m h ALA 15 Ca -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2k3m h ALA 15 Cb 0.53 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2k3m h ALA 15 CO 0.06 -0.89 -0.24 0.00 0.00 0.00 0.00 179.25 178.18 2k3m h ALA 16 N 0.11 -0.68 0.09 0.00 0.00 0.11 2.97 119.26 121.86 2k3m h ALA 16 Ca 0.05 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2k3m h ALA 16 Cb 0.60 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2k3m h ALA 16 CO -0.26 -0.78 -0.22 1.25 0.00 0.00 0.00 179.25 179.23 2k3m h LEU 17 N -0.88 -0.63 0.47 0.00 5.85 0.42 1.30 115.31 121.84 2k3m h LEU 17 Ca -0.07 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2k3m h LEU 17 Cb 0.60 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.87 2k3m h LEU 17 CO 0.11 -0.30 -0.22 -0.37 -0.34 0.00 0.00 178.44 177.32 2k3m h VAL 18 N -0.40 0.24 -0.47 1.05 -1.51 0.35 -3.31 116.25 112.19 2k3m h VAL 18 Ca 0.03 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 2k3m h VAL 18 Cb 0.43 0.37 0.00 0.00 -2.13 0.00 0.00 31.29 29.96 2k3m h VAL 18 CO -0.14 0.05 0.00 0.61 -1.23 0.00 0.00 177.57 176.86 2k3m n GLY 19 N -0.11 -3.39 0.08 5.19 0.00 0.99 -4.86 105.19 103.09 2k3m n GLY 19 Ca -0.09 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 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 0.07 0.90 1.61 0.13 -1.73 -3.35 132.00 129.63 2k3m h PRO 20 Ca 0.00 -0.11 -0.04 0.00 -0.87 0.00 0.00 66.00 64.97 2k3m h PRO 20 Cb 0.00 0.04 0.01 0.00 0.13 0.00 0.00 31.00 31.18 2k3m h PRO 20 CO 0.00 0.93 -0.43 0.78 -0.23 0.00 0.00 178.00 179.05 2k3m h GLY 21 N 2.76 -1.27 0.64 1.56 0.00 -1.82 2.99 103.07 107.94 2k3m h GLY 21 Ca -0.12 0.47 0.01 0.00 0.00 0.00 0.00 47.33 47.70 2k3m h GLY 21 CO 0.13 -0.46 -0.21 -1.33 0.00 0.00 0.00 176.54 174.67 2k3m h GLY 22 N -1.29 -0.40 1.94 4.60 0.00 0.14 0.21 103.07 108.27 2k3m h GLY 22 Ca -0.12 0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 2k3m h GLY 22 CO 0.20 -0.20 -0.10 -0.24 0.00 0.00 0.00 176.54 176.21 2k3m h VAL 23 N -0.41 1.11 0.42 4.60 3.04 -1.26 -1.99 116.25 121.77 2k3m h VAL 23 Ca 0.02 -0.47 -0.02 0.00 -1.01 0.00 0.00 66.70 65.23 2k3m h VAL 23 Cb 0.42 1.18 -0.01 0.00 -2.01 0.00 0.00 31.29 30.87 2k3m h VAL 23 CO -0.11 0.14 -0.32 0.00 -1.01 0.00 0.00 177.57 176.27 2k3m h ALA 24 N 1.83 -1.08 -0.54 3.17 0.00 0.86 0.12 119.26 123.62 2k3m h ALA 24 Ca 0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2k3m h ALA 24 Cb 0.23 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2k3m h ALA 24 CO 0.01 -1.07 0.18 -0.07 0.00 0.00 0.00 179.25 178.30 2k3m h LEU 25 N -0.71 0.79 0.86 0.00 3.38 -1.31 0.12 115.31 118.44 2k3m h LEU 25 Ca -0.06 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 2k3m h LEU 25 Cb 0.59 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2k3m h LEU 25 CO 0.02 0.78 -0.50 0.58 0.09 0.00 0.00 178.44 179.41 2k3m h VAL 26 N 0.75 0.00 -0.52 1.22 2.07 -1.32 0.51 116.25 118.97 2k3m h VAL 26 Ca 0.18 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 2k3m h VAL 26 Cb 0.27 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 2k3m h VAL 26 CO -0.01 0.00 0.14 1.62 0.02 0.00 0.00 177.57 179.34 2k3m h VAL 27 N -1.26 1.21 0.50 2.57 3.04 -0.75 0.72 116.25 122.28 2k3m h VAL 27 Ca -0.12 -0.76 -0.02 0.00 -1.01 0.00 0.00 66.70 64.79 2k3m h VAL 27 Cb 1.00 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 2k3m h VAL 27 CO 0.14 0.28 -0.24 0.50 -1.01 0.00 0.00 177.57 177.24 2k3m h LYS 28 N 0.76 -0.65 -0.20 4.17 3.64 -0.57 0.67 116.57 124.38 2k3m h LYS 28 Ca 0.17 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 2k3m h LYS 28 Cb 0.26 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2k3m h LYS 28 CO -0.00 -0.35 0.05 0.28 -2.27 0.00 0.00 179.45 177.16 2k3m h VAL 29 N -0.99 1.20 0.54 2.00 2.07 0.10 0.48 116.25 121.65 2k3m h VAL 29 Ca -0.07 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 2k3m h VAL 29 Cb 0.61 1.26 0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2k3m h VAL 29 CO 0.11 0.20 -0.26 0.00 0.02 0.00 0.00 177.57 177.65 2k3m h ALA 31 N -1.39 0.45 -3.27 0.00 0.00 0.28 -3.48 119.26 111.85 2k3m h ALA 31 Ca -0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2k3m h ALA 31 Cb 0.56 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2k3m h ALA 31 CO 0.12 -0.00 -0.01 0.41 0.00 0.00 0.00 179.25 179.77 2k3m n GLY 32 N -0.91 -0.31 1.15 0.00 0.00 0.17 -4.85 105.19 100.44 2k3m n GLY 32 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2k3m n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k3m n LEU 33 N -1.14 -1.54 0.19 0.99 4.32 -1.24 -4.94 117.00 113.63 2k3m n LEU 33 Ca -0.00 0.00 0.13 0.00 -0.02 0.00 0.00 56.01 56.12 2k3m n LEU 33 Cb 0.50 -0.77 0.65 0.00 -1.62 0.00 0.00 43.42 42.18 2k3m n LEU 33 CO 0.06 0.00 0.90 1.55 -1.22 0.00 0.00 177.39 178.68 2k3m h PRO 34 N 0.00 0.00 0.58 3.23 0.13 -1.89 -3.11 132.00 130.95 2k3m h PRO 34 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2k3m h PRO 34 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2k3m h PRO 34 CO 0.00 0.00 -0.49 0.78 -0.23 0.00 0.00 178.00 178.06 2k3m h GLY 35 N 0.93 -1.26 -2.05 1.56 0.00 -1.93 -3.42 103.07 96.90 2k3m h GLY 35 Ca 0.00 0.57 -0.44 0.00 0.00 0.00 0.00 47.33 47.45 2k3m h GLY 35 CO 0.00 -0.39 -0.14 0.54 0.00 0.00 0.00 176.54 176.55 2k3m s VAL 36 N -5.90 2.63 0.00 4.60 0.11 -1.17 -5.05 120.40 115.62 2k3m s VAL 36 Ca -0.18 -0.89 0.00 0.00 -2.93 0.00 0.00 61.98 57.98 2k3m s VAL 36 Cb 0.04 -2.74 0.00 0.00 -1.53 0.00 0.00 36.38 32.15 2k3m s VAL 36 CO 0.61 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.38 2k3m n ILE 37 N -2.15 0.00 -3.78 7.04 0.13 -1.26 -4.85 119.36 114.49 2k3m n ILE 37 Ca 0.11 0.00 -0.14 0.00 -1.10 0.00 0.00 62.75 61.61 2k3m n ILE 37 Cb 0.60 0.00 -0.15 0.00 -0.84 0.00 0.00 39.64 39.25 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.00 2.80 0.00 0.00 176.55 178.35 2k3m s HIS 38 N 0.00 -0.03 -0.11 9.51 3.76 -1.26 -5.08 115.29 122.07 2k3m s HIS 38 Ca 0.00 0.22 -0.15 0.00 -0.15 0.00 0.00 55.06 54.99 2k3m s HIS 38 Cb 0.00 -0.16 -0.05 0.00 1.11 0.00 0.00 32.58 33.48 2k3m s HIS 38 CO 0.00 -0.10 0.36 0.95 -0.85 0.00 0.00 174.74 175.10 2k3m s THR 39 N 0.96 5.23 0.24 1.30 -4.23 -1.26 -5.00 115.64 112.88 2k3m s THR 39 Ca -0.08 0.70 -0.04 0.00 -1.18 0.00 0.00 61.69 61.09 2k3m s THR 39 Cb -0.11 -3.68 0.21 0.00 1.34 0.00 0.00 72.50 70.26 2k3m s THR 39 CO -0.03 0.43 1.79 -0.65 -0.54 0.00 0.00 174.62 175.61 2k3m h PRO 40 N 6.17 0.68 -5.02 3.99 0.11 -2.08 -3.41 132.00 132.45 2k3m h PRO 40 Ca -0.44 -0.04 -0.56 0.00 0.11 0.00 0.00 66.00 65.07 2k3m h PRO 40 Cb 1.18 -0.15 -0.32 0.00 0.11 0.00 0.00 31.00 31.82 2k3m h PRO 40 CO 0.72 0.45 -0.83 0.00 -0.21 0.00 0.00 178.00 178.12 2k3m s ALA 41 N -6.02 1.49 0.07 -0.75 0.00 -1.26 -5.13 121.76 110.16 2k3m s ALA 41 Ca -0.12 -0.62 -0.27 0.00 0.00 0.00 0.00 51.96 50.95 2k3m s ALA 41 Cb 0.19 -0.56 0.08 0.00 0.00 0.00 0.00 23.12 22.84 2k3m s ALA 41 CO 0.78 0.22 0.89 -0.98 0.00 0.00 0.00 175.76 176.66 2k3m s ARG 42 N 0.30 1.01 0.00 0.00 1.70 -1.26 -4.98 118.95 115.71 2k3m s ARG 42 Ca -0.10 -0.45 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 2k3m s ARG 42 Cb -0.14 0.41 0.00 0.00 -0.57 0.00 0.00 34.95 34.65 2k3m s ARG 42 CO 0.04 -0.45 0.10 -2.13 -1.08 0.00 0.00 175.30 171.78 2k3m n ARG 43 N -0.34 0.14 0.00 3.89 3.00 -1.26 -4.65 116.66 117.44 2k3m n ARG 43 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 2k3m n ARG 43 Cb 0.62 -1.23 0.00 0.00 0.00 0.00 0.00 32.46 31.84 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 0.65 1.33 3.49 5.14 0.00 -1.26 -4.77 105.19 109.77 2k3m n GLY 44 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.07 -0.46 0.00 1.61 5.36 -1.26 -5.10 117.98 118.05 2k3m s PHE 45 Ca 0.00 0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.17 2k3m s PHE 45 Cb 0.00 0.57 0.00 0.00 -0.34 0.00 0.00 43.02 43.25 2k3m s PHE 45 CO 0.00 -0.91 0.00 1.19 -1.46 0.00 0.00 175.22 174.04 2k3m n PHE 46 N -0.39 0.00 0.00 10.12 3.01 -1.26 -5.02 117.46 123.92 2k3m n PHE 46 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.31 2k3m n PHE 46 Cb 0.64 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.11 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 -2.17 -1.08 3.00 -1.26 -5.06 116.66 110.10 2k3m n ARG 47 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 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 -2.20 1.20 0.00 0.00 4.22 -1.26 -5.03 114.94 111.87 2k3m s ASN 49 Ca 0.04 -0.18 0.00 0.00 -2.14 0.00 0.00 52.86 50.57 2k3m s ASN 49 Cb -0.01 -0.57 0.00 0.00 1.28 0.00 0.00 41.25 41.95 2k3m s ASN 49 CO 0.34 -0.02 0.60 -2.65 -2.04 0.00 0.00 177.10 173.33 2k3m n PRO 50 N 3.93 0.00 -0.79 3.55 -0.02 -1.26 -3.71 135.00 136.69 2k3m n PRO 50 Ca -0.24 -0.27 0.00 0.00 -2.02 0.00 0.00 63.50 60.97 2k3m n PRO 50 Cb 0.51 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 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 3.83 -0.44 -2.57 -0.52 4.71 -1.26 -4.97 120.64 119.43 2k3m n GLU 51 Ca 0.00 0.11 -0.32 0.00 -0.01 0.00 0.00 57.16 56.94 2k3m n GLU 51 Cb 0.00 -3.94 -0.05 0.00 -1.01 0.00 0.00 31.44 26.44 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 -0.86 4.04 0.24 3.49 0.52 -1.24 -5.01 118.95 120.13 2k3m s ARG 52 Ca 0.00 0.99 -0.30 0.00 -0.52 0.00 0.00 55.73 55.91 2k3m s ARG 52 Cb 0.00 -2.16 -0.09 0.00 0.52 0.00 0.00 34.95 33.22 2k3m s ARG 52 CO 0.00 -0.18 1.28 -1.50 0.02 0.00 0.00 175.30 174.92 2k3m s ILE 53 N -2.46 3.16 -1.01 1.52 1.10 -1.26 -4.82 121.20 117.43 2k3m s ILE 53 Ca 0.60 1.02 -0.27 0.00 -0.51 0.00 0.00 60.65 61.49 2k3m s ILE 53 Cb -0.10 -3.65 -0.21 0.00 0.15 0.00 0.00 42.46 38.65 2k3m s ILE 53 CO 0.25 0.18 2.20 -1.10 -2.11 0.00 0.00 174.94 174.37 2k3m s GLN 54 N -0.66 1.21 0.10 3.50 1.11 -1.26 -4.80 119.66 118.87 2k3m s GLN 54 Ca 0.53 -0.17 -0.11 0.00 0.01 0.00 0.00 55.36 55.62 2k3m s GLN 54 Cb -0.36 -4.92 0.01 0.00 -1.01 0.00 0.00 33.01 26.73 2k3m s GLN 54 CO 0.42 -5.33 0.27 -1.50 0.01 0.00 0.00 175.29 169.16 2k3m s ILE 55 N 16.79 0.12 0.00 1.08 2.07 -1.26 -4.93 121.20 135.06 2k3m s ILE 55 Ca 0.85 -0.95 0.00 0.00 -1.41 0.00 0.00 60.65 59.14 2k3m s ILE 55 Cb -0.07 -1.27 0.00 0.00 0.13 0.00 0.00 42.46 41.25 2k3m s ILE 55 CO 0.16 -0.52 0.00 0.61 -1.91 0.00 0.00 174.94 173.27 2k3m n GLY 56 N -0.12 0.84 3.55 1.50 0.00 -1.26 -5.06 105.19 104.65 2k3m n GLY 56 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.33 6.23 0.73 1.61 -4.77 -1.26 -4.98 116.67 112.89 2k3m s ASP 57 Ca 0.00 -0.65 -0.07 0.00 -3.30 0.00 0.00 52.55 48.54 2k3m s ASP 57 Cb 0.00 -2.56 0.08 0.00 -1.09 0.00 0.00 42.92 39.35 2k3m s ASP 57 CO 0.00 -1.77 1.03 0.26 0.70 0.00 0.00 175.17 175.39 2k3m s TRP 58 N 5.58 2.62 -0.11 2.11 0.52 -1.26 -5.05 118.94 123.35 2k3m s TRP 58 Ca 0.37 0.32 -0.03 0.00 0.02 0.00 0.00 56.10 56.78 2k3m s TRP 58 Cb -0.07 -3.25 -0.01 0.00 -1.15 0.00 0.00 33.47 28.99 2k3m s TRP 58 CO 0.10 -1.55 -0.07 0.00 0.02 0.00 0.00 176.95 175.45 2k3m h ARG 59 N -0.67 0.00 0.00 4.98 3.08 -1.99 -3.37 114.38 116.41 2k3m h ARG 59 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2k3m h ARG 59 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2k3m h ARG 59 CO 0.55 0.00 -0.84 0.98 -1.07 0.00 0.00 179.97 179.59 2k3m n TYR 60 N -4.47 0.46 0.62 3.04 4.19 -1.26 -3.89 117.16 115.85 2k3m n TYR 60 Ca -0.03 0.13 0.13 0.00 3.31 0.00 0.00 57.90 61.45 2k3m n TYR 60 Cb 0.10 -0.59 0.38 0.00 0.49 0.00 0.00 39.34 39.72 2k3m n TYR 60 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86 2k3m n GLU 61 N -2.10 0.26 -0.16 2.98 2.13 -1.26 -3.99 120.64 118.51 2k3m n GLU 61 Ca 0.02 0.20 -0.07 0.00 0.66 0.00 0.00 57.16 57.98 2k3m n GLU 61 Cb 0.45 -1.79 -0.01 0.00 0.27 0.00 0.00 31.44 30.36 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 0.20 0.18 6.31 -1.51 -1.72 1.95 116.25 121.66 2k3m h VAL 62 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 2k3m h VAL 62 Cb 0.74 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.10 2k3m h VAL 62 CO 0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 177.57 176.25 2k3m h ALA 63 N 0.85 -0.24 0.00 5.19 0.00 -1.87 3.04 119.26 126.24 2k3m h ALA 63 Ca 0.20 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2k3m h ALA 63 Cb 0.54 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2k3m h ALA 63 CO -0.60 -0.47 -0.49 1.25 0.00 0.00 0.00 179.25 178.94 2k3m h HIS 64 N -0.57 -1.41 0.02 0.00 6.17 -1.42 0.33 115.15 118.27 2k3m h HIS 64 Ca -0.02 0.04 -0.00 0.00 0.71 0.00 0.00 60.37 61.10 2k3m h HIS 64 Cb 0.43 0.61 0.00 0.00 2.52 0.00 0.00 27.41 30.97 2k3m h HIS 64 CO 0.03 -0.55 -0.01 0.22 0.71 0.00 0.00 177.93 178.33 2k3m h ASP 65 N -0.64 -0.02 0.00 3.26 1.82 0.30 -2.86 116.42 118.28 2k3m h ASP 65 Ca 0.03 -0.38 0.00 0.00 -0.39 0.00 0.00 57.03 56.29 2k3m h ASP 65 Cb 0.70 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.72 2k3m h ASP 65 CO -0.34 0.37 0.00 0.61 -1.61 0.00 0.00 179.24 178.27 2k3m n GLY 66 N -0.04 0.86 0.00 -0.78 0.00 1.01 -3.58 105.19 102.67 2k3m n GLY 66 Ca -0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 0.88 0.71 -0.46 1.61 5.12 0.06 -4.12 116.66 120.47 2k3m n ARG 67 Ca 0.00 0.00 0.36 0.00 -1.93 0.00 0.00 57.85 56.28 2k3m n ARG 67 Cb 0.21 -1.23 0.55 0.00 -1.16 0.00 0.00 32.46 30.83 2k3m n ARG 67 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2k3m n LEU 68 N -0.73 0.00 0.05 0.55 4.32 -1.23 0.36 117.00 120.32 2k3m n LEU 68 Ca 0.08 0.69 -0.02 0.00 -0.02 0.00 0.00 56.01 56.73 2k3m n LEU 68 Cb 0.04 -0.33 -0.01 0.00 -1.62 0.00 0.00 43.42 41.50 2k3m n LEU 68 CO 0.06 -0.69 0.29 0.17 -1.22 0.00 0.00 177.39 176.01 2k3m h LEU 69 N 0.00 -0.11 0.00 2.23 8.10 -1.92 -2.94 115.31 120.67 2k3m h LEU 69 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.62 2k3m h LEU 69 Cb 2.62 0.03 0.00 0.00 -0.44 0.00 0.00 40.66 42.87 2k3m h LEU 69 CO -0.01 -0.04 0.00 0.00 -4.11 0.00 0.00 178.44 174.28 2k3m n ALA 70 N -2.12 -0.01 0.00 0.17 0.00 0.16 -3.73 120.51 114.98 2k3m n ALA 70 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2k3m n ALA 70 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.94 0.88 -0.02 0.00 0.00 -0.46 -4.36 120.51 115.61 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 -0.59 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.28 -0.02 -0.05 0.00 1.44 -0.96 0.28 115.22 115.63 2k3m n HIS 72 Ca 0.00 0.07 -0.14 0.00 -2.01 0.00 0.00 57.72 55.64 2k3m n HIS 72 Cb 0.00 -0.42 -0.08 0.00 0.12 0.00 0.00 29.99 29.61 2k3m n HIS 72 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k3m h MET 73 N 0.00 0.39 -1.00 -1.40 -0.00 -1.76 -3.21 114.93 107.96 2k3m h MET 73 Ca 0.01 -0.25 0.39 0.00 -0.00 0.00 0.00 59.70 59.85 2k3m h MET 73 Cb 0.02 0.03 -0.17 0.00 -0.00 0.00 0.00 31.60 31.48 2k3m h MET 73 CO -0.05 0.84 0.48 0.28 -0.00 0.00 0.00 176.91 178.46 2k3m h VAL 74 N -0.01 0.05 0.00 -0.10 2.07 0.37 0.38 116.25 119.02 2k3m h VAL 74 Ca 0.01 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2k3m h VAL 74 Cb 0.81 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2k3m h VAL 74 CO 0.05 0.01 0.53 -3.20 0.02 0.00 0.00 177.57 174.98 2k3m n ASN 75 N -5.25 0.00 0.22 0.57 2.85 -0.69 0.20 115.26 113.15 2k3m n ASN 75 Ca 0.35 0.19 0.15 0.00 -0.11 0.00 0.00 54.58 55.16 2k3m n ASN 75 Cb 1.18 0.00 0.63 0.00 1.24 0.00 0.00 39.78 42.82 2k3m n ASN 75 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 2k3m h GLY 76 N 0.00 0.00 0.95 8.20 0.00 -0.50 -0.54 103.07 111.18 2k3m h GLY 76 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2k3m h GLY 76 CO 0.00 0.00 -0.14 -2.22 0.00 0.00 0.00 176.54 174.18 2k3m h ILE 77 N 0.00 0.70 -0.17 2.60 2.04 0.20 0.30 117.51 123.18 2k3m h ILE 77 Ca 0.10 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.01 2k3m h ILE 77 Cb 1.22 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 2k3m h ILE 77 CO -0.00 0.00 0.48 0.58 0.00 0.00 0.00 178.15 179.21 2k3m h VAL 78 N -0.38 0.10 0.06 1.67 2.07 -1.35 1.35 116.25 119.78 2k3m h VAL 78 Ca -0.03 0.00 -0.38 0.00 0.82 0.00 0.00 66.70 67.12 2k3m h VAL 78 Cb 0.31 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 2k3m h VAL 78 CO 0.04 0.00 -2.21 2.30 0.02 0.00 0.00 177.57 177.72 2k3m n ILE 79 N -3.09 1.64 0.29 4.57 -5.35 -0.81 -3.32 119.36 113.29 2k3m n ILE 79 Ca 0.02 -0.59 0.13 0.00 -0.27 0.00 0.00 62.75 62.04 2k3m n ILE 79 Cb 0.58 -1.61 0.33 0.00 -1.74 0.00 0.00 39.64 37.20 2k3m n ILE 79 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k3m h ALA 80 N -0.01 1.00 0.00 -1.28 0.00 0.20 -1.81 119.26 117.36 2k3m h ALA 80 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2k3m h ALA 80 Cb 1.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2k3m h ALA 80 CO -0.01 0.00 -0.09 1.49 0.00 0.00 0.00 179.25 180.64 2k3m h GLU 81 N 0.00 0.00 0.88 0.00 4.81 0.15 -3.42 114.58 117.00 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 0.83 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.22 2k3m h GLU 81 CO 0.00 0.00 -0.42 -0.44 -0.73 0.00 0.00 179.01 177.42 2k3m h ASP 82 N -0.24 -1.00 0.00 1.04 5.19 -1.70 -3.38 116.42 116.33 2k3m h ASP 82 Ca 0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2k3m h ASP 82 Cb 0.09 0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.85 2k3m h ASP 82 CO 0.00 -0.71 0.00 0.00 -3.12 0.00 0.00 179.24 175.41 2k3m n ALA 83 N -2.60 0.00 -0.22 3.45 0.00 -0.68 -2.16 120.51 118.30 2k3m n ALA 83 Ca -0.15 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.47 2k3m n ALA 83 Cb 0.47 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.25 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 0.15 -0.07 0.00 7.99 -1.26 0.14 117.00 123.95 2k3m n LEU 84 Ca 0.00 1.10 -0.21 0.00 -0.01 0.00 0.00 56.01 56.90 2k3m n LEU 84 Cb 0.00 -0.50 -0.13 0.00 -0.11 0.00 0.00 43.42 42.68 2k3m n LEU 84 CO 0.00 -1.20 -1.07 2.30 -1.51 0.00 0.00 177.39 175.90 2k3m n ILE 85 N -4.59 1.62 0.20 -0.08 -5.35 -0.92 -4.07 119.36 106.16 2k3m n ILE 85 Ca 0.23 -0.55 -0.16 0.00 -0.27 0.00 0.00 62.75 62.00 2k3m n ILE 85 Cb 0.76 -1.64 -0.08 0.00 -1.74 0.00 0.00 39.64 36.94 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 -0.09 -0.86 0.00 -1.28 0.00 0.31 -0.19 119.26 117.14 2k3m h ALA 86 Ca -0.51 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2k3m h ALA 86 Cb 1.89 0.65 0.00 0.00 0.00 0.00 0.00 17.79 20.32 2k3m h ALA 86 CO -0.05 -1.03 0.00 -0.85 0.00 0.00 0.00 179.25 177.31 2k3m n GLU 87 N -5.49 0.56 -0.00 0.00 0.28 0.37 -1.72 120.64 114.64 2k3m n GLU 87 Ca -0.09 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.02 2k3m n GLU 87 Cb 0.40 -1.02 -0.16 0.00 1.43 0.00 0.00 31.44 32.09 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 -0.46 2.81 -1.44 -1.84 0.00 -0.10 -4.17 120.51 115.32 2k3m n ALA 88 Ca 0.00 -0.50 -0.29 0.00 0.00 0.00 0.00 53.44 52.65 2k3m n ALA 88 Cb 0.01 -0.78 0.10 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.28 3.30 -0.22 0.00 0.24 -0.70 -4.65 118.33 114.02 2k3m n VAL 89 Ca -0.04 -2.95 -0.08 0.00 -2.04 0.00 0.00 64.34 59.23 2k3m n VAL 89 Cb 0.57 -0.97 0.03 0.00 -1.47 0.00 0.00 33.84 31.99 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 1.77 1.09 0.15 7.63 0.00 -1.72 -2.86 103.07 109.12 2k3m h GLY 90 Ca 0.54 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2k3m h GLY 90 CO 1.28 0.67 0.54 -1.05 0.00 0.00 0.00 176.54 177.98 2k3m n PRO 91 N -4.29 0.01 0.30 4.80 -0.02 -1.26 -0.72 135.00 133.82 2k3m n PRO 91 Ca 0.03 0.19 0.15 0.00 -2.02 0.00 0.00 63.50 61.85 2k3m n PRO 91 Cb 0.28 -2.07 0.81 0.00 -0.02 0.00 0.00 33.50 32.51 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 0.70 6.00 2.07 -1.90 -0.25 115.15 121.77 2k3m h HIS 92 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 2k3m h HIS 92 Cb 1.08 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.07 2k3m h HIS 92 CO 0.00 0.00 -0.34 1.37 -3.07 0.00 0.00 177.93 175.89 2k3m h LEU 93 N 0.00 -0.80 0.64 6.12 8.10 -1.21 2.20 115.31 130.36 2k3m h LEU 93 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.97 2k3m h LEU 93 Cb 0.46 0.21 -0.00 0.00 -0.44 0.00 0.00 40.66 40.88 2k3m h LEU 93 CO 0.00 -0.50 -0.39 0.00 -4.11 0.00 0.00 178.44 173.44 2k3m h ALA 94 N -0.86 -1.00 0.67 0.17 0.00 -1.33 -0.18 119.26 116.74 2k3m h ALA 94 Ca -0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2k3m h ALA 94 Cb 0.75 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2k3m h ALA 94 CO 0.16 -1.08 -0.49 0.00 0.00 0.00 0.00 179.25 177.84 2k3m h ARG 95 N -0.97 -1.08 0.00 0.00 3.08 -1.40 0.33 114.38 114.34 2k3m h ARG 95 Ca -0.08 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2k3m h ARG 95 Cb 0.79 0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2k3m h ARG 95 CO 0.08 -0.72 0.50 0.00 -1.07 0.00 0.00 179.97 178.76 2k3m h ALA 96 N -1.00 1.37 0.00 0.04 0.00 0.38 -3.39 119.26 116.66 2k3m h ALA 96 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k3m h ALA 96 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2k3m h ALA 96 CO 0.04 -0.37 0.00 -0.11 0.00 0.00 0.00 179.25 178.81 2k3m n LEU 97 N -2.07 0.00 0.07 0.00 7.94 0.12 0.28 117.00 123.33 2k3m n LEU 97 Ca -0.01 0.00 0.20 0.00 -1.11 0.00 0.00 56.01 55.10 2k3m n LEU 97 Cb 0.52 0.00 0.65 0.00 0.53 0.00 0.00 43.42 45.12 2k3m n LEU 97 CO 0.04 0.00 1.18 1.23 -1.11 0.00 0.00 177.39 178.73 2k3m h GLY 98 N 0.00 0.00 2.00 -3.96 0.00 -1.85 4.35 103.07 103.60 2k3m h GLY 98 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2k3m h GLY 98 CO 0.00 0.00 -0.04 1.46 0.00 0.00 0.00 176.54 177.96 2k3m h GLN 99 N 0.00 0.00 -0.50 4.80 1.08 0.38 -1.74 115.11 119.13 2k3m h GLN 99 Ca 0.22 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.31 2k3m h GLN 99 Cb 1.49 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.91 2k3m h GLN 99 CO -0.00 0.04 -0.13 0.97 -0.95 0.00 0.00 178.83 178.76 2k3m h ILE 100 N 0.00 1.27 0.61 2.54 2.10 0.83 -2.18 117.51 122.69 2k3m h ILE 100 Ca -0.00 -1.27 -0.02 0.00 1.08 0.00 0.00 64.86 64.64 2k3m h ILE 100 Cb 0.60 1.05 -0.01 0.00 -1.09 0.00 0.00 36.82 37.37 2k3m h ILE 100 CO 0.01 0.44 -0.43 1.62 -1.08 0.00 0.00 178.15 178.71 2k3m h VAL 101 N 0.83 0.14 -0.24 2.19 3.04 -1.05 0.88 116.25 122.04 2k3m h VAL 101 Ca 0.13 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 65.89 2k3m h VAL 101 Cb 0.69 0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 30.10 2k3m h VAL 101 CO 0.05 0.00 0.70 0.00 -1.01 0.00 0.00 177.57 177.31 2k3m h ARG 103 N 0.00 0.21 -0.74 0.00 1.12 0.11 -3.15 114.38 111.94 2k3m h ARG 103 Ca 0.11 -0.36 -0.15 0.00 -1.11 0.00 0.00 59.98 58.48 2k3m h ARG 103 Cb 1.51 0.13 -0.09 0.00 -0.01 0.00 0.00 29.97 31.52 2k3m h ARG 103 CO -0.00 1.17 0.19 0.98 -3.11 0.00 0.00 179.97 179.20 2k3m n TYR 104 N -3.83 2.19 0.00 2.20 9.36 0.27 -4.83 117.16 122.53 2k3m n TYR 104 Ca -0.29 -1.00 0.00 0.00 3.32 0.00 0.00 57.90 59.93 2k3m n TYR 104 Cb 0.92 -0.61 0.00 0.00 -0.63 0.00 0.00 39.34 39.03 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 0.07 -1.37 2.57 2.98 0.00 1.53 -4.89 105.19 106.07 2k3m n GLY 105 Ca 0.35 0.63 -0.06 0.00 0.00 0.00 0.00 46.02 46.93 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 -1.88 -0.03 4.61 0.00 -1.10 -4.87 120.51 114.25 2k3m n ALA 106 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.49 2k3m n ALA 106 Cb 0.00 -2.93 -0.00 0.00 0.00 0.00 0.00 19.45 16.51 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 -0.37 0.00 0.00 0.00 2.02 -1.92 -3.36 112.91 109.28 2k3m h THR 107 Ca -0.26 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.42 2k3m h THR 107 Cb 1.13 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 2k3m h THR 107 CO 0.25 0.00 0.00 1.33 0.37 0.00 0.00 175.52 177.47 2k3m n VAL 108 N -3.39 0.50 -0.04 3.16 0.24 -1.26 -3.06 118.33 114.48 2k3m n VAL 108 Ca -0.01 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.20 2k3m n VAL 108 Cb 0.04 -0.72 -0.03 0.00 -1.47 0.00 0.00 33.84 31.66 2k3m n VAL 108 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k3m n ILE 109 N 0.64 0.81 -0.15 1.34 3.06 -1.26 -4.57 119.36 119.23 2k3m n ILE 109 Ca 0.00 -0.01 0.27 0.00 -2.50 0.00 0.00 62.75 60.51 2k3m n ILE 109 Cb 0.27 -1.71 0.72 0.00 0.54 0.00 0.00 39.64 39.46 2k3m n ILE 109 CO 0.00 0.00 0.00 1.55 -2.50 0.00 0.00 176.55 175.60 2k3m h PRO 110 N -0.38 0.00 0.05 9.51 0.13 -1.69 -1.15 132.00 138.48 2k3m h PRO 110 Ca -0.19 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2k3m h PRO 110 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2k3m h PRO 110 CO -0.11 0.00 -0.03 -0.97 -0.23 0.00 0.00 178.00 176.66 2k3m h ASN 111 N 0.00 -0.06 -0.86 1.44 -0.73 -1.82 -2.34 115.58 111.22 2k3m h ASN 111 Ca 0.40 0.00 0.24 0.00 1.87 0.00 0.00 56.30 58.80 2k3m h ASN 111 Cb 1.61 0.02 -0.04 0.00 0.27 0.00 0.00 38.32 40.17 2k3m h ASN 111 CO -0.00 -0.04 0.60 0.16 -0.37 0.00 0.00 177.43 177.78 2k3m h ILE 112 N -0.08 0.60 -0.19 2.57 3.07 -1.75 0.65 117.51 122.38 2k3m h ILE 112 Ca -0.01 -0.03 0.05 0.00 1.55 0.00 0.00 64.86 66.42 2k3m h ILE 112 Cb 0.05 0.50 -0.06 0.00 -0.27 0.00 0.00 36.82 37.04 2k3m h ILE 112 CO 0.01 0.02 -0.20 -1.13 -1.05 0.00 0.00 178.15 175.80 2k3m h ASN 113 N 0.09 -0.64 -0.26 2.16 -0.73 -1.04 1.62 115.58 116.78 2k3m h ASN 113 Ca 0.42 0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.71 2k3m h ASN 113 Cb 1.52 0.30 -0.01 0.00 0.27 0.00 0.00 38.32 40.39 2k3m h ASN 113 CO -0.05 -0.25 0.17 0.00 -0.37 0.00 0.00 177.43 176.94 2k3m h ALA 114 N 0.83 1.80 0.00 1.57 0.00 -0.31 0.06 119.26 123.21 2k3m h ALA 114 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2k3m h ALA 114 Cb 0.41 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2k3m h ALA 114 CO -0.32 0.18 -0.09 0.00 0.00 0.00 0.00 179.25 179.02 2k3m h ALA 115 N 1.83 0.01 0.06 0.00 0.00 -0.84 -3.18 119.26 117.14 2k3m h ALA 115 Ca 0.10 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2k3m h ALA 115 Cb -0.03 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2k3m h ALA 115 CO -0.02 0.07 -0.44 0.82 0.00 0.00 0.00 179.25 179.68 2k3m h ILE 116 N -1.00 0.13 -0.99 0.00 1.08 0.23 1.01 117.51 117.96 2k3m h ILE 116 Ca -0.01 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.62 2k3m h ILE 116 Cb 0.34 0.13 -0.17 0.00 -3.07 0.00 0.00 36.82 34.05 2k3m h ILE 116 CO -0.01 0.00 -0.36 -0.33 -0.69 0.00 0.00 178.15 176.77 2k3m h GLU 117 N -0.63 -0.00 0.21 2.37 5.08 -1.12 2.67 114.58 123.15 2k3m h GLU 117 Ca 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2k3m h GLU 117 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2k3m h GLU 117 CO -0.29 -0.00 -0.10 0.28 -1.00 0.00 0.00 179.01 177.90 2k3m h VAL 118 N -0.00 0.80 0.00 3.13 2.07 -1.05 0.41 116.25 121.60 2k3m h VAL 118 Ca 0.38 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.87 2k3m h VAL 118 Cb 0.63 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2k3m h VAL 118 CO -0.99 0.01 0.00 -0.11 0.02 0.00 0.00 177.57 176.49 2k3m n LEU 119 N -5.20 0.00 0.00 2.57 7.94 0.61 -4.33 117.00 118.59 2k3m n LEU 119 Ca -0.09 0.98 0.00 0.00 -1.11 0.00 0.00 56.01 55.79 2k3m n LEU 119 Cb 0.14 -0.48 0.00 0.00 0.53 0.00 0.00 43.42 43.60 2k3m n LEU 119 CO 0.35 -0.48 0.09 0.61 -1.11 0.00 0.00 177.39 176.84 2k3m n GLY 120 N -0.99 -1.32 0.00 -3.96 0.00 0.76 -5.02 105.19 94.66 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 -0.25 0.00 0.00 2.61 -1.04 0.14 -4.90 114.28 110.85 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 1.56 3.46 3.41 0.00 -1.26 -4.81 105.19 107.55 2k3m n GLY 122 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2k3m n GLY 122 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k3m n THR 123 N -1.44 0.00 -3.80 2.61 -1.04 -1.26 -4.65 114.28 104.71 2k3m n THR 123 Ca 0.00 -0.22 -0.05 0.00 -2.04 0.00 0.00 64.05 61.75 2k3m n THR 123 Cb 0.00 -1.49 -0.01 0.00 -1.82 0.00 0.00 70.33 67.01 2k3m n THR 123 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2k3m s ASP 124 N 6.81 -0.20 -0.03 8.00 -1.08 -1.26 -4.36 116.67 124.55 2k3m s ASP 124 Ca 0.71 -0.50 -0.17 0.00 -0.52 0.00 0.00 52.55 52.07 2k3m s ASP 124 Cb -0.10 0.58 0.03 0.00 -1.46 0.00 0.00 42.92 41.97 2k3m s ASP 124 CO 0.16 -1.07 0.38 -0.47 0.52 0.00 0.00 175.17 174.68 2k3m s TYR 125 N -3.46 -0.28 -0.01 -5.34 5.04 -1.26 -5.04 117.35 107.00 2k3m s TYR 125 Ca 0.12 0.48 -0.14 0.00 -2.44 0.00 0.00 57.07 55.09 2k3m s TYR 125 Cb -0.03 0.15 0.02 0.00 0.35 0.00 0.00 41.96 42.45 2k3m s TYR 125 CO 0.04 -0.41 0.29 0.50 -1.34 0.00 0.00 175.55 174.64 2k3m s ARG 126 N -1.16 0.65 0.00 4.97 6.06 -1.26 -4.67 118.95 123.54 2k3m s ARG 126 Ca -0.12 -0.22 0.17 0.00 -2.50 0.00 0.00 55.73 53.06 2k3m s ARG 126 Cb -0.04 0.29 0.13 0.00 0.06 0.00 0.00 34.95 35.39 2k3m s ARG 126 CO 0.05 -0.18 1.04 0.34 -2.50 0.00 0.00 175.30 174.05