#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mcf s LYS 17 N 0.00 4.17 -0.02 0.03 2.36 -1.26 -4.98 119.74 120.04 3mcf s LYS 17 Ca 0.00 1.01 -0.13 0.00 -2.55 0.00 0.00 55.97 54.29 3mcf s LYS 17 Cb 0.00 -3.66 -0.05 0.00 -1.05 0.00 0.00 37.83 33.07 3mcf s LYS 17 CO 0.00 -0.58 0.36 0.15 1.55 0.00 0.00 175.35 176.83 3mcf s LYS 18 N 2.97 3.83 0.08 4.03 1.02 -1.26 -2.13 119.74 128.29 3mcf s LYS 18 Ca 0.37 0.31 0.03 0.00 0.02 0.00 0.00 55.97 56.70 3mcf s LYS 18 Cb -0.15 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 33.91 3mcf s LYS 18 CO 0.08 0.71 -0.09 1.03 -0.92 0.00 0.00 175.35 176.16 3mcf s ARG 19 N -1.06 0.77 0.17 1.68 0.52 0.36 -1.49 118.95 119.90 3mcf s ARG 19 Ca 0.22 -1.11 0.09 0.00 -0.52 0.00 0.00 55.73 54.41 3mcf s ARG 19 Cb -0.16 -0.39 -0.04 0.00 0.52 0.00 0.00 34.95 34.88 3mcf s ARG 19 CO 0.12 0.05 -0.15 0.00 0.02 0.00 0.00 175.30 175.34 3mcf s ALA 20 N -2.51 2.79 0.06 2.13 0.00 -0.43 -0.64 121.76 123.16 3mcf s ALA 20 Ca 0.04 -1.48 -0.05 0.00 0.00 0.00 0.00 51.96 50.47 3mcf s ALA 20 Cb -0.02 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 3mcf s ALA 20 CO -0.01 0.49 0.07 0.00 0.00 0.00 0.00 175.76 176.32 3mcf s ALA 21 N -1.55 0.14 -0.09 0.00 0.00 -0.43 -1.13 121.76 118.70 3mcf s ALA 21 Ca 0.22 -0.89 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 3mcf s ALA 21 Cb -0.09 0.36 0.05 0.00 0.00 0.00 0.00 23.12 23.43 3mcf s ALA 21 CO 0.13 -0.42 0.18 0.00 0.00 0.00 0.00 175.76 175.64 3mcf s LEU 23 N 2.10 4.00 -0.28 0.00 1.43 0.18 -4.30 118.68 121.80 3mcf s LEU 23 Ca 0.00 -0.03 -0.14 0.00 -1.03 0.00 0.00 54.13 52.93 3mcf s LEU 23 Cb -0.12 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 3mcf s LEU 23 CO -0.06 -1.13 0.32 0.00 0.23 0.00 0.00 176.35 175.70 3mcf s PHE 25 N 1.98 3.18 0.05 0.00 0.08 0.72 -1.09 117.98 122.89 3mcf s PHE 25 Ca 0.12 0.09 0.23 0.00 0.12 0.00 0.00 56.93 57.49 3mcf s PHE 25 Cb -0.16 -1.64 0.75 0.00 -0.57 0.00 0.00 43.02 41.40 3mcf s PHE 25 CO 0.10 0.52 1.75 -0.09 -0.10 0.00 0.00 175.22 177.40 3mcf h ARG 26 N 3.55 0.00 0.00 0.44 2.43 -1.76 -0.65 114.38 118.39 3mcf h ARG 26 Ca -0.47 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.64 3mcf h ARG 26 Cb 1.17 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3mcf h ARG 26 CO 0.64 0.25 0.16 -1.13 -1.51 0.00 0.00 179.97 178.38 3mcf n SER 27 N -3.34 -1.62 0.03 -3.80 3.41 -1.26 -4.71 113.62 102.34 3mcf n SER 27 Ca 0.01 -2.23 0.08 0.00 -0.26 0.00 0.00 58.87 56.47 3mcf n SER 27 Cb 0.49 2.72 0.36 0.00 -0.26 0.00 0.00 64.21 67.52 3mcf n SER 27 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mcf n GLU 28 N -0.41 0.05 0.26 4.33 4.71 -1.26 -2.41 120.64 125.91 3mcf n GLU 28 Ca -0.06 0.29 0.12 0.00 -0.01 0.00 0.00 57.16 57.50 3mcf n GLU 28 Cb 0.44 -1.60 0.68 0.00 -1.01 0.00 0.00 31.44 29.96 3mcf n GLU 28 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3mcf h ARG 29 N 0.00 0.00 -6.10 3.49 3.08 -1.99 -3.46 114.38 109.39 3mcf h ARG 29 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 3mcf h ARG 29 Cb 0.29 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.29 3mcf h ARG 29 CO 0.00 0.14 -0.72 0.39 -1.07 0.00 0.00 179.97 178.70 3mcf n GLU 30 N -3.66 -5.00 -0.00 0.04 1.02 -1.01 -4.88 120.64 107.15 3mcf n GLU 30 Ca -0.02 0.58 0.07 0.00 -0.02 0.00 0.00 57.16 57.77 3mcf n GLU 30 Cb 0.26 -5.44 -0.08 0.00 -0.02 0.00 0.00 31.44 26.16 3mcf n GLU 30 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3mcf n ASP 31 N -2.72 0.69 -4.00 1.62 5.68 -1.26 -4.89 116.55 111.68 3mcf n ASP 31 Ca 0.03 -0.82 -0.26 0.00 -0.50 0.00 0.00 54.79 53.24 3mcf n ASP 31 Cb 0.53 1.01 -0.17 0.00 -1.14 0.00 0.00 41.12 41.36 3mcf n ASP 31 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3mcf s GLU 32 N -2.36 1.76 0.05 0.11 2.02 -1.26 -1.66 118.70 117.36 3mcf s GLU 32 Ca 0.05 -0.40 0.09 0.00 0.02 0.00 0.00 54.97 54.73 3mcf s GLU 32 Cb 0.11 -1.55 -0.03 0.00 0.10 0.00 0.00 34.13 32.75 3mcf s GLU 32 CO 0.58 -0.07 -0.26 0.54 0.02 0.00 0.00 175.26 176.07 3mcf s VAL 33 N 1.01 2.19 -0.30 2.63 0.11 0.82 -2.21 120.40 124.66 3mcf s VAL 33 Ca -0.08 -1.39 -0.18 0.00 -2.93 0.00 0.00 61.98 57.40 3mcf s VAL 33 Cb -0.15 -1.86 -0.02 0.00 -1.53 0.00 0.00 36.38 32.82 3mcf s VAL 33 CO -0.01 0.35 0.54 -0.22 -3.33 0.00 0.00 175.10 172.44 3mcf s LEU 34 N -1.28 4.15 0.26 2.54 2.96 -0.25 -0.64 118.68 126.41 3mcf s LEU 34 Ca 0.12 0.36 0.06 0.00 -0.22 0.00 0.00 54.13 54.45 3mcf s LEU 34 Cb -0.10 -2.68 -0.03 0.00 0.50 0.00 0.00 46.19 43.88 3mcf s LEU 34 CO 0.02 -0.38 0.31 -0.76 -1.32 0.00 0.00 176.35 174.22 3mcf s LEU 35 N 2.41 4.04 0.21 -0.68 1.43 -0.30 -4.58 118.68 121.21 3mcf s LEU 35 Ca 0.21 -0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.26 3mcf s LEU 35 Cb -0.15 -2.62 -0.05 0.00 0.03 0.00 0.00 46.19 43.40 3mcf s LEU 35 CO 0.11 -0.13 -0.12 0.68 0.23 0.00 0.00 176.35 177.12 3mcf s VAL 36 N -2.08 1.60 0.47 -1.59 -7.23 -0.51 -1.23 120.40 109.82 3mcf s VAL 36 Ca 0.36 -2.17 -0.21 0.00 -1.81 0.00 0.00 61.98 58.15 3mcf s VAL 36 Cb -0.08 -2.10 -0.09 0.00 0.56 0.00 0.00 36.38 34.67 3mcf s VAL 36 CO 0.28 -0.55 1.02 -0.94 -0.31 0.00 0.00 175.10 174.60 3mcf s SER 37 N -3.32 6.49 0.40 4.85 1.04 -0.07 -0.43 113.70 122.66 3mcf s SER 37 Ca 0.23 1.90 -0.25 0.00 0.48 0.00 0.00 55.95 58.31 3mcf s SER 37 Cb 0.01 -2.56 -0.09 0.00 0.10 0.00 0.00 66.02 63.48 3mcf s SER 37 CO 0.07 -0.68 1.15 -0.55 0.98 0.00 0.00 173.24 174.21 3mcf s SER 38 N -1.96 6.58 0.17 7.02 0.15 -0.51 -4.74 113.70 120.41 3mcf s SER 38 Ca 0.65 2.29 0.07 0.00 0.70 0.00 0.00 55.95 59.67 3mcf s SER 38 Cb -0.16 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.51 3mcf s SER 38 CO 0.20 -0.63 1.38 0.77 1.20 0.00 0.00 173.24 176.15 3mcf h SER 39 N 2.65 0.05 0.47 5.45 4.64 -1.95 -3.16 113.55 121.70 3mcf h SER 39 Ca -0.49 -0.05 -0.30 0.00 -0.47 0.00 0.00 61.79 60.48 3mcf h SER 39 Cb 1.23 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3mcf h SER 39 CO 0.63 0.91 -1.52 0.03 -0.87 0.00 0.00 176.83 176.01 3mcf h ARG 40 N 0.02 0.23 -3.09 4.77 3.08 -1.99 -3.41 114.38 113.99 3mcf h ARG 40 Ca -0.02 -0.40 -0.62 0.00 0.07 0.00 0.00 59.98 59.01 3mcf h ARG 40 Cb 1.56 0.15 -0.41 0.00 0.08 0.00 0.00 29.97 31.35 3mcf h ARG 40 CO 0.12 1.09 -0.67 0.71 -1.07 0.00 0.00 179.97 180.15 3mcf s TYR 41 N -2.62 2.82 -1.08 3.04 2.02 -1.24 -5.00 117.35 115.30 3mcf s TYR 41 Ca -0.09 -2.96 0.07 0.00 -0.37 0.00 0.00 57.07 53.72 3mcf s TYR 41 Cb 0.07 -2.37 0.32 0.00 -0.40 0.00 0.00 41.96 39.58 3mcf s TYR 41 CO 0.85 -0.69 1.21 -2.30 -1.57 0.00 0.00 175.55 173.05 3mcf n PRO 42 N 2.81 0.02 -0.14 -1.71 -0.02 -1.20 -0.73 135.00 134.03 3mcf n PRO 42 Ca 0.13 0.35 0.08 0.00 -2.02 0.00 0.00 63.50 62.04 3mcf n PRO 42 Cb 0.35 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.48 3mcf n PRO 42 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3mcf n ASP 43 N -1.46 2.90 -4.87 2.55 2.03 -1.26 -4.69 116.55 111.74 3mcf n ASP 43 Ca 0.02 -1.86 -0.25 0.00 0.52 0.00 0.00 54.79 53.23 3mcf n ASP 43 Cb 0.08 -0.19 -0.04 0.00 -0.72 0.00 0.00 41.12 40.25 3mcf n ASP 43 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3mcf s ARG 44 N -1.13 3.16 0.02 -0.67 0.52 0.09 -5.02 118.95 115.91 3mcf s ARG 44 Ca 0.27 -0.79 0.02 0.00 -0.52 0.00 0.00 55.73 54.71 3mcf s ARG 44 Cb 0.15 -2.78 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 3mcf s ARG 44 CO 0.21 0.48 0.03 -1.58 0.02 0.00 0.00 175.30 174.46 3mcf s TRP 45 N -1.83 3.13 0.15 -0.53 0.52 -1.26 -1.42 118.94 117.69 3mcf s TRP 45 Ca 0.33 0.10 -0.04 0.00 0.02 0.00 0.00 56.10 56.50 3mcf s TRP 45 Cb -0.10 -1.66 -0.03 0.00 -1.15 0.00 0.00 33.47 30.53 3mcf s TRP 45 CO 0.26 0.49 0.15 0.96 0.02 0.00 0.00 176.95 178.83 3mcf s ILE 46 N -1.17 0.09 0.04 2.03 -4.36 0.43 -4.78 121.20 113.46 3mcf s ILE 46 Ca 0.22 -1.70 -0.29 0.00 -0.26 0.00 0.00 60.65 58.62 3mcf s ILE 46 Cb -0.12 -1.97 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 3mcf s ILE 46 CO 0.13 -0.39 0.95 -0.69 0.24 0.00 0.00 174.94 175.18 3mcf s VAL 47 N -4.02 4.75 0.59 8.37 1.01 -1.26 -1.43 120.40 128.41 3mcf s VAL 47 Ca 0.21 2.01 -0.19 0.00 0.00 0.00 0.00 61.98 64.01 3mcf s VAL 47 Cb 0.06 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 3mcf s VAL 47 CO 0.01 0.23 1.19 -2.16 0.00 0.00 0.00 175.10 174.37 3mcf s PRO 48 N 0.61 3.04 0.00 2.72 0.04 -1.26 -4.85 135.00 135.29 3mcf s PRO 48 Ca 0.49 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.30 3mcf s PRO 48 Cb -0.22 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.38 3mcf s PRO 48 CO 0.28 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.59 3mcf n GLY 49 N 0.41 -1.27 0.00 0.56 0.00 -1.26 -1.58 105.19 102.06 3mcf n GLY 49 Ca 0.13 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3mcf n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mcf n GLY 50 N 0.00 -1.38 3.78 -0.02 0.00 -0.28 -4.98 105.19 102.32 3mcf n GLY 50 Ca 0.00 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 3mcf n GLY 50 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mcf s GLY 51 N 0.00 2.78 -0.03 -0.02 0.00 -1.26 -1.32 107.32 107.47 3mcf s GLY 51 Ca 0.00 0.58 -0.12 0.00 0.00 0.00 0.00 44.72 45.18 3mcf s GLY 51 CO 0.00 1.02 0.32 1.06 0.00 0.00 0.00 173.10 175.50 3mcf s MET 52 N -2.19 3.75 1.10 2.90 -1.94 -0.56 -4.86 119.30 117.51 3mcf s MET 52 Ca 0.52 0.22 -0.14 0.00 -1.71 0.00 0.00 55.69 54.58 3mcf s MET 52 Cb -0.20 -3.19 0.24 0.00 2.01 0.00 0.00 34.83 33.69 3mcf s MET 52 CO 0.25 0.71 1.07 -1.21 -0.01 0.00 0.00 175.02 175.83 3mcf s GLU 53 N -1.13 -0.43 0.18 2.03 2.02 -1.26 -4.82 118.70 115.30 3mcf s GLU 53 Ca 0.22 0.49 -0.32 0.00 0.02 0.00 0.00 54.97 55.38 3mcf s GLU 53 Cb -0.15 -1.64 -0.12 0.00 0.10 0.00 0.00 34.13 32.32 3mcf s GLU 53 CO 0.11 -3.30 1.75 -2.30 0.02 0.00 0.00 175.26 171.54 3mcf n PRO 54 N -4.57 2.76 -1.44 0.39 -0.02 -1.26 -2.38 135.00 128.48 3mcf n PRO 54 Ca 0.05 1.00 -0.16 0.00 -2.02 0.00 0.00 63.50 62.38 3mcf n PRO 54 Cb 0.57 -2.86 -0.07 0.00 -0.02 0.00 0.00 33.50 31.13 3mcf n PRO 54 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3mcf n GLU 55 N 4.43 -1.55 -2.35 -0.52 -0.58 -1.26 -4.94 120.64 113.87 3mcf n GLU 55 Ca 0.17 1.02 -0.40 0.00 -0.42 0.00 0.00 57.16 57.52 3mcf n GLU 55 Cb 0.35 -5.38 -0.03 0.00 -0.57 0.00 0.00 31.44 25.80 3mcf n GLU 55 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3mcf s GLU 56 N -3.30 4.49 0.11 3.49 2.12 -1.00 -5.00 118.70 119.62 3mcf s GLU 56 Ca 0.00 1.92 -0.31 0.00 0.36 0.00 0.00 54.97 56.95 3mcf s GLU 56 Cb 0.00 -3.09 -0.07 0.00 0.26 0.00 0.00 34.13 31.23 3mcf s GLU 56 CO 0.00 0.04 1.26 -1.21 -0.54 0.00 0.00 175.26 174.81 3mcf s GLU 57 N -1.65 4.41 0.42 4.30 2.02 -1.26 -4.92 118.70 122.02 3mcf s GLU 57 Ca 0.47 1.90 0.09 0.00 0.02 0.00 0.00 54.97 57.45 3mcf s GLU 57 Cb -0.34 -3.28 0.91 0.00 0.10 0.00 0.00 34.13 31.52 3mcf s GLU 57 CO 0.44 -0.27 2.06 -1.35 0.02 0.00 0.00 175.26 176.16 3mcf h PRO 58 N 6.35 0.42 -0.13 0.39 0.11 -1.97 -2.05 132.00 135.13 3mcf h PRO 58 Ca -0.43 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3mcf h PRO 58 Cb 1.21 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3mcf h PRO 58 CO 0.81 0.31 0.04 0.78 -0.21 0.00 0.00 178.00 179.72 3mcf h GLY 59 N 0.48 0.21 1.00 -0.55 0.00 -1.95 -0.41 103.07 101.86 3mcf h GLY 59 Ca 0.11 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.34 3mcf h GLY 59 CO -0.02 0.12 0.65 -1.33 0.00 0.00 0.00 176.54 175.96 3mcf h GLY 60 N 0.02 1.39 1.02 4.60 0.00 -1.85 -2.35 103.07 105.90 3mcf h GLY 60 Ca 0.04 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 3mcf h GLY 60 CO -0.00 0.48 0.16 0.00 0.00 0.00 0.00 176.54 177.18 3mcf h ALA 61 N 1.40 0.79 -0.37 3.60 0.00 -1.08 -1.83 119.26 121.76 3mcf h ALA 61 Ca 0.37 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3mcf h ALA 61 Cb -0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3mcf h ALA 61 CO -0.09 0.49 0.20 0.00 0.00 0.00 0.00 179.25 179.85 3mcf h ALA 62 N 1.05 0.47 -0.56 0.00 0.00 -0.73 -0.11 119.26 119.38 3mcf h ALA 62 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3mcf h ALA 62 Cb 0.33 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3mcf h ALA 62 CO -0.00 -0.15 0.31 0.28 0.00 0.00 0.00 179.25 179.68 3mcf h VAL 63 N 0.41 1.18 -0.28 0.00 2.07 -1.24 -2.06 116.25 116.33 3mcf h VAL 63 Ca 0.15 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 3mcf h VAL 63 Cb 0.04 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3mcf h VAL 63 CO -0.09 0.20 0.13 -0.09 0.02 0.00 0.00 177.57 177.73 3mcf h ARG 64 N 0.75 0.41 -0.50 1.57 2.43 -1.06 -2.70 114.38 115.28 3mcf h ARG 64 Ca 0.20 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3mcf h ARG 64 Cb 0.05 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3mcf h ARG 64 CO -0.03 0.42 0.28 0.93 -1.51 0.00 0.00 179.97 180.05 3mcf h GLU 65 N 0.32 0.69 0.00 0.20 5.08 -0.76 -0.47 114.58 119.63 3mcf h GLU 65 Ca 0.10 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 3mcf h GLU 65 Cb 0.15 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3mcf h GLU 65 CO -0.01 0.54 -0.47 -0.39 -1.00 0.00 0.00 179.01 177.68 3mcf h VAL 66 N 0.66 1.22 -0.17 3.13 -1.51 -1.40 0.21 116.25 118.39 3mcf h VAL 66 Ca 0.18 -1.66 -0.02 0.00 -1.23 0.00 0.00 66.70 63.97 3mcf h VAL 66 Cb 0.04 1.92 -0.01 0.00 -2.13 0.00 0.00 31.29 31.12 3mcf h VAL 66 CO -0.03 0.46 0.03 0.22 -1.23 0.00 0.00 177.57 177.02 3mcf h TYR 67 N 0.00 0.29 -0.10 5.19 3.20 -1.09 -0.72 116.97 123.74 3mcf h TYR 67 Ca -0.00 -0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.73 3mcf h TYR 67 Cb 0.89 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.08 3mcf h TYR 67 CO 0.00 0.43 -0.33 0.93 -1.64 0.00 0.00 178.16 177.56 3mcf h GLU 68 N 0.07 0.40 0.12 1.82 5.08 -0.73 -2.06 114.58 119.28 3mcf h GLU 68 Ca 0.05 -0.30 -0.28 0.00 -1.00 0.00 0.00 59.36 57.83 3mcf h GLU 68 Cb 0.30 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 3mcf h GLU 68 CO 0.00 0.92 -1.36 0.93 -1.00 0.00 0.00 179.01 178.50 3mcf h GLU 69 N -0.05 0.25 0.00 2.33 5.08 -0.69 -2.09 114.58 119.40 3mcf h GLU 69 Ca -0.01 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3mcf h GLU 69 Cb 0.96 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3mcf h GLU 69 CO 0.07 1.15 0.00 0.00 -1.00 0.00 0.00 179.01 179.23 3mcf n ALA 70 N -2.58 2.14 -2.81 3.43 0.00 -0.37 -4.71 120.51 115.60 3mcf n ALA 70 Ca -0.11 -0.28 -0.16 0.00 0.00 0.00 0.00 53.44 52.89 3mcf n ALA 70 Cb 1.03 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.51 3mcf n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mcf n GLY 71 N 0.38 -0.17 3.75 0.00 0.00 -0.75 -4.76 105.19 103.64 3mcf n GLY 71 Ca 0.00 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 3mcf n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mcf s VAL 72 N -3.00 5.32 0.03 1.61 1.01 -0.64 -0.53 120.40 124.20 3mcf s VAL 72 Ca 0.22 0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.43 3mcf s VAL 72 Cb -0.10 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 3mcf s VAL 72 CO 0.27 0.49 -0.22 -0.54 0.00 0.00 0.00 175.10 175.10 3mcf s LYS 73 N 0.02 1.99 0.00 2.72 1.02 -0.38 -3.42 119.74 121.69 3mcf s LYS 73 Ca 0.09 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 55.07 3mcf s LYS 73 Cb -0.11 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 3mcf s LYS 73 CO -0.00 0.54 0.00 0.41 -0.92 0.00 0.00 175.35 175.37 3mcf n GLY 74 N 1.82 0.80 3.37 -3.33 0.00 -1.26 -0.89 105.19 105.70 3mcf n GLY 74 Ca -0.17 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 3mcf n GLY 74 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mcf s LYS 75 N -1.22 2.88 0.22 1.61 2.20 -0.02 -4.88 119.74 120.53 3mcf s LYS 75 Ca 0.00 -1.03 -0.31 0.00 -0.36 0.00 0.00 55.97 54.27 3mcf s LYS 75 Cb 0.00 -3.66 -0.10 0.00 -1.51 0.00 0.00 37.83 32.56 3mcf s LYS 75 CO 0.00 -0.64 1.50 -1.17 -0.36 0.00 0.00 175.35 174.68 3mcf s LEU 76 N 1.54 4.38 0.00 5.43 2.96 -1.26 -1.49 118.68 130.23 3mcf s LEU 76 Ca 0.02 2.67 0.00 0.00 -0.22 0.00 0.00 54.13 56.60 3mcf s LEU 76 Cb -0.19 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.89 3mcf s LEU 76 CO 0.06 -0.77 0.00 0.61 -1.32 0.00 0.00 176.35 174.93 3mcf n GLY 77 N 2.81 3.41 3.78 7.98 0.00 0.12 -4.93 105.19 118.36 3mcf n GLY 77 Ca 0.10 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 3mcf n GLY 77 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3mcf s ARG 78 N 3.53 2.89 -0.33 1.61 1.70 -1.26 -4.57 118.95 122.51 3mcf s ARG 78 Ca 0.00 1.33 -0.29 0.00 -0.47 0.00 0.00 55.73 56.30 3mcf s ARG 78 Cb 0.00 -1.97 -0.00 0.00 -0.57 0.00 0.00 34.95 32.41 3mcf s ARG 78 CO 0.00 -1.17 1.42 -1.17 -1.08 0.00 0.00 175.30 173.30 3mcf s LEU 79 N -4.86 3.74 0.15 -1.89 2.96 -1.26 -1.42 118.68 116.10 3mcf s LEU 79 Ca 0.66 1.12 -0.10 0.00 -0.22 0.00 0.00 54.13 55.58 3mcf s LEU 79 Cb -0.19 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 3mcf s LEU 79 CO 0.42 -1.28 1.52 0.25 -1.32 0.00 0.00 176.35 175.93 3mcf h LEU 80 N 11.68 1.02 0.00 -0.68 5.85 -0.68 -3.49 115.31 129.01 3mcf h LEU 80 Ca -0.28 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.02 3mcf h LEU 80 Cb 1.11 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3mcf h LEU 80 CO 1.05 1.22 0.00 0.61 -0.34 0.00 0.00 178.44 180.98 3mcf n GLY 81 N -0.01 0.91 3.30 3.75 0.00 -1.15 -5.03 105.19 106.97 3mcf n GLY 81 Ca -0.01 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 3mcf n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mcf s VAL 82 N -2.00 3.31 -0.10 1.61 1.01 -1.26 -1.41 120.40 121.56 3mcf s VAL 82 Ca 0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 3mcf s VAL 82 Cb 0.00 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 3mcf s VAL 82 CO 0.00 0.42 -0.03 -0.36 0.00 0.00 0.00 175.10 175.13 3mcf s PHE 83 N 1.47 3.05 -0.13 5.22 0.08 0.08 -4.93 117.98 122.82 3mcf s PHE 83 Ca 0.06 0.00 -0.08 0.00 0.12 0.00 0.00 56.93 57.03 3mcf s PHE 83 Cb -0.14 -1.82 0.05 0.00 -0.57 0.00 0.00 43.02 40.54 3mcf s PHE 83 CO -0.04 0.28 0.33 -2.00 -0.10 0.00 0.00 175.22 173.69 3mcf s GLU 84 N -0.49 0.31 0.13 0.44 2.12 -1.26 -0.98 118.70 118.98 3mcf s GLU 84 Ca 0.08 0.62 -0.21 0.00 0.36 0.00 0.00 54.97 55.81 3mcf s GLU 84 Cb -0.12 -0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.24 3mcf s GLU 84 CO 0.02 -0.14 1.68 0.45 -0.54 0.00 0.00 175.26 176.73 3mcf h HIS 91 N 6.85 -0.31 -3.24 5.30 -0.00 -1.96 -3.50 115.15 118.28 3mcf h HIS 91 Ca -0.36 0.02 -0.40 0.00 -0.00 0.00 0.00 60.37 59.63 3mcf h HIS 91 Cb 1.17 0.16 -0.39 0.00 -0.00 0.00 0.00 27.41 28.35 3mcf h HIS 91 CO 0.32 -0.19 -0.74 0.50 -0.00 0.00 0.00 177.93 177.82 3mcf s ARG 92 N -6.16 0.02 -0.16 2.45 3.52 -0.90 -4.95 118.95 112.77 3mcf s ARG 92 Ca -0.14 0.23 0.01 0.00 -0.13 0.00 0.00 55.73 55.70 3mcf s ARG 92 Cb 0.11 -0.90 0.01 0.00 -1.56 0.00 0.00 34.95 32.60 3mcf s ARG 92 CO 0.68 -0.42 -0.19 0.99 -0.81 0.00 0.00 175.30 175.55 3mcf s THR 93 N 2.14 2.21 -0.37 4.11 2.01 -0.15 -0.49 115.64 125.10 3mcf s THR 93 Ca 0.04 -0.91 -0.21 0.00 0.31 0.00 0.00 61.69 60.92 3mcf s THR 93 Cb -0.13 -1.91 0.01 0.00 0.01 0.00 0.00 72.50 70.47 3mcf s THR 93 CO -0.05 0.54 0.68 -0.31 -0.69 0.00 0.00 174.62 174.78 3mcf s TYR 94 N 1.02 3.13 -0.30 4.92 2.02 0.19 -0.74 117.35 127.58 3mcf s TYR 94 Ca -0.02 0.35 -0.09 0.00 -0.37 0.00 0.00 57.07 56.94 3mcf s TYR 94 Cb -0.15 -3.24 -0.01 0.00 -0.40 0.00 0.00 41.96 38.17 3mcf s TYR 94 CO -0.06 -0.69 0.13 0.08 -1.57 0.00 0.00 175.55 173.45 3mcf s VAL 95 N 2.83 4.50 0.27 0.71 1.01 -0.50 -1.32 120.40 127.91 3mcf s VAL 95 Ca 0.26 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.91 3mcf s VAL 95 Cb -0.14 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 3mcf s VAL 95 CO 0.16 0.12 0.30 -0.31 0.00 0.00 0.00 175.10 175.37 3mcf s TYR 96 N 1.60 3.18 0.22 5.22 2.02 -0.38 0.07 117.35 129.28 3mcf s TYR 96 Ca 0.05 -0.13 0.07 0.00 -0.37 0.00 0.00 57.07 56.68 3mcf s TYR 96 Cb -0.17 -1.60 -0.04 0.00 -0.40 0.00 0.00 41.96 39.75 3mcf s TYR 96 CO 0.05 0.36 0.14 0.14 -1.57 0.00 0.00 175.55 174.68 3mcf s VAL 97 N -2.12 4.30 -0.15 0.71 -7.23 -0.51 -0.65 120.40 114.75 3mcf s VAL 97 Ca 0.36 -1.34 -0.14 0.00 -1.81 0.00 0.00 61.98 59.05 3mcf s VAL 97 Cb -0.08 -3.27 0.04 0.00 0.56 0.00 0.00 36.38 33.63 3mcf s VAL 97 CO 0.27 -0.25 0.41 -0.22 -0.31 0.00 0.00 175.10 175.01 3mcf s LEU 98 N -3.49 0.41 -0.31 1.32 0.20 -0.12 0.16 118.68 116.85 3mcf s LEU 98 Ca 0.32 0.83 -0.14 0.00 0.69 0.00 0.00 54.13 55.83 3mcf s LEU 98 Cb -0.09 1.40 -0.03 0.00 -0.43 0.00 0.00 46.19 47.05 3mcf s LEU 98 CO 0.23 -0.14 0.30 -0.89 -0.29 0.00 0.00 176.35 175.55 3mcf s THR 99 N 0.26 5.23 0.12 3.68 2.01 -0.56 -0.20 115.64 126.18 3mcf s THR 99 Ca -0.00 0.16 -0.31 0.00 0.31 0.00 0.00 61.69 61.85 3mcf s THR 99 Cb -0.03 -3.69 -0.08 0.00 0.01 0.00 0.00 72.50 68.71 3mcf s THR 99 CO 0.00 0.08 1.37 -0.69 -0.69 0.00 0.00 174.62 174.69 3mcf s VAL 100 N 1.91 3.34 -0.03 3.82 1.01 -0.25 -0.84 120.40 129.36 3mcf s VAL 100 Ca 0.10 0.97 0.10 0.00 0.00 0.00 0.00 61.98 63.15 3mcf s VAL 100 Cb -0.16 -3.62 -0.14 0.00 0.00 0.00 0.00 36.38 32.45 3mcf s VAL 100 CO 0.11 0.08 0.18 0.35 0.00 0.00 0.00 175.10 175.82 3mcf n THR 101 N 3.86 0.12 -3.71 3.92 -2.24 -0.07 -4.85 114.28 111.31 3mcf n THR 101 Ca 0.11 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 3mcf n THR 101 Cb 0.43 0.08 -0.10 0.00 -2.10 0.00 0.00 70.33 68.63 3mcf n THR 101 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3mcf s GLU 102 N -2.59 0.51 -0.25 -0.78 2.12 -0.70 -5.00 118.70 112.00 3mcf s GLU 102 Ca -0.04 0.68 -0.03 0.00 0.36 0.00 0.00 54.97 55.94 3mcf s GLU 102 Cb 0.06 0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.66 3mcf s GLU 102 CO 0.40 -0.08 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.51 3mcf s LEU 103 N 0.50 3.30 0.45 2.70 1.43 -1.26 -1.25 118.68 124.54 3mcf s LEU 103 Ca -0.02 -0.73 -0.23 0.00 -1.03 0.00 0.00 54.13 52.11 3mcf s LEU 103 Cb -0.04 -1.73 -0.08 0.00 0.03 0.00 0.00 46.19 44.37 3mcf s LEU 103 CO -0.03 -0.12 1.17 -0.76 0.23 0.00 0.00 176.35 176.84 3mcf s LEU 104 N 1.40 4.05 0.05 1.79 1.43 0.31 -4.97 118.68 122.74 3mcf s LEU 104 Ca 0.02 2.33 -0.17 0.00 -1.03 0.00 0.00 54.13 55.28 3mcf s LEU 104 Cb -0.16 -4.19 -0.20 0.00 0.03 0.00 0.00 46.19 41.67 3mcf s LEU 104 CO -0.02 -0.87 1.20 -0.33 0.23 0.00 0.00 176.35 176.55 3mcf h GLU 105 N 2.18 0.58 -5.91 1.70 4.39 -1.98 -3.43 114.58 112.11 3mcf h GLU 105 Ca -0.49 -0.54 -0.64 0.00 0.34 0.00 0.00 59.36 58.03 3mcf h GLU 105 Cb 1.25 0.13 -0.31 0.00 -0.10 0.00 0.00 28.75 29.72 3mcf h GLU 105 CO 0.61 1.16 -0.87 -0.51 -1.16 0.00 0.00 179.01 178.24 3mcf s ASP 106 N -6.90 2.72 0.19 1.42 1.01 -1.26 -5.09 116.67 108.76 3mcf s ASP 106 Ca -0.12 -0.44 -0.01 0.00 0.71 0.00 0.00 52.55 52.69 3mcf s ASP 106 Cb 0.06 -0.62 -0.04 0.00 1.01 0.00 0.00 42.92 43.33 3mcf s ASP 106 CO 0.86 0.23 0.11 -1.66 0.21 0.00 0.00 175.17 174.92 3mcf s TRP 107 N -0.22 1.12 0.15 4.23 -2.14 -1.26 -5.02 118.94 115.79 3mcf s TRP 107 Ca 0.00 -1.34 -0.28 0.00 2.66 0.00 0.00 56.10 57.15 3mcf s TRP 107 Cb -0.12 -0.56 -0.02 0.00 -3.10 0.00 0.00 33.47 29.67 3mcf s TRP 107 CO 0.02 -0.59 1.57 1.49 -2.66 0.00 0.00 176.95 176.78 3mcf h GLU 108 N 2.66 -0.34 0.00 3.25 4.81 -1.82 -0.92 114.58 122.22 3mcf h GLU 108 Ca -0.36 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 58.81 3mcf h GLU 108 Cb 1.24 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 3mcf h GLU 108 CO 0.55 -0.23 -0.41 -0.44 -0.73 0.00 0.00 179.01 177.75 3mcf h ASP 109 N -0.36 0.00 -0.41 1.04 5.19 -1.66 0.41 116.42 120.62 3mcf h ASP 109 Ca 0.12 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.47 3mcf h ASP 109 Cb 0.59 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.09 3mcf h ASP 109 CO -0.55 0.41 0.02 0.77 -3.12 0.00 0.00 179.24 176.78 3mcf h SER 110 N 0.00 0.69 -0.18 6.45 4.64 -1.50 -0.99 113.55 122.66 3mcf h SER 110 Ca -0.00 -0.29 -0.07 0.00 -0.47 0.00 0.00 61.79 60.95 3mcf h SER 110 Cb 1.04 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3mcf h SER 110 CO 0.05 0.81 -0.18 0.58 -0.87 0.00 0.00 176.83 177.23 3mcf h VAL 111 N 0.55 1.33 0.03 0.95 2.07 -0.93 -2.03 116.25 118.22 3mcf h VAL 111 Ca 0.12 -1.33 -0.21 0.00 0.82 0.00 0.00 66.70 66.10 3mcf h VAL 111 Cb 0.44 1.79 0.02 0.00 -1.52 0.00 0.00 31.29 32.02 3mcf h VAL 111 CO 0.02 0.40 -0.84 0.77 0.02 0.00 0.00 177.57 177.94 3mcf h SER 112 N 0.11 0.68 0.00 0.57 4.64 -0.92 -3.40 113.55 115.23 3mcf h SER 112 Ca 0.03 -0.79 0.00 0.00 -0.47 0.00 0.00 61.79 60.56 3mcf h SER 112 Cb 0.71 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3mcf h SER 112 CO 0.04 1.39 0.00 2.30 -0.87 0.00 0.00 176.83 179.69 3mcf n ILE 113 N -4.05 0.31 -2.62 0.95 -5.35 -0.44 -5.01 119.36 103.16 3mcf n ILE 113 Ca -0.11 -0.32 -0.16 0.00 -0.27 0.00 0.00 62.75 61.88 3mcf n ILE 113 Cb 0.79 0.88 0.01 0.00 -1.74 0.00 0.00 39.64 39.59 3mcf n ILE 113 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mcf n GLY 114 N -0.16 -0.24 3.75 3.28 0.00 -0.76 -4.96 105.19 106.10 3mcf n GLY 114 Ca 0.00 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 3mcf n GLY 114 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mcf s ARG 115 N -5.16 4.33 0.23 1.61 3.52 -0.80 -4.92 118.95 117.77 3mcf s ARG 115 Ca 0.14 2.19 0.06 0.00 -0.13 0.00 0.00 55.73 57.98 3mcf s ARG 115 Cb -0.06 -3.14 -0.03 0.00 -1.56 0.00 0.00 34.95 30.16 3mcf s ARG 115 CO 0.17 -0.31 0.27 0.15 -0.81 0.00 0.00 175.30 174.77 3mcf s LYS 116 N -0.49 3.20 0.09 5.12 1.02 -1.26 -4.18 119.74 123.24 3mcf s LYS 116 Ca 0.57 -0.87 0.05 0.00 0.02 0.00 0.00 55.97 55.74 3mcf s LYS 116 Cb -0.39 -2.75 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 3mcf s LYS 116 CO 0.43 0.43 -0.12 -0.98 -0.92 0.00 0.00 175.35 174.18 3mcf s ARG 117 N -3.78 0.86 -0.26 1.68 1.70 -1.26 -0.89 118.95 117.00 3mcf s ARG 117 Ca 0.33 -1.08 -0.25 0.00 -0.47 0.00 0.00 55.73 54.26 3mcf s ARG 117 Cb -0.09 -0.71 0.07 0.00 -0.57 0.00 0.00 34.95 33.65 3mcf s ARG 117 CO 0.27 0.14 0.74 -2.00 -1.08 0.00 0.00 175.30 173.37 3mcf s GLU 118 N -2.30 0.83 0.04 3.89 2.12 -0.37 -4.99 118.70 117.92 3mcf s GLU 118 Ca 0.03 0.94 -0.30 0.00 0.36 0.00 0.00 54.97 55.99 3mcf s GLU 118 Cb -0.06 0.40 -0.04 0.00 0.26 0.00 0.00 34.13 34.69 3mcf s GLU 118 CO 0.02 -0.11 1.01 -1.58 -0.54 0.00 0.00 175.26 174.06 3mcf s TRP 119 N 0.29 3.66 -0.02 5.30 0.52 -1.26 -1.15 118.94 126.27 3mcf s TRP 119 Ca -0.00 1.66 0.05 0.00 0.02 0.00 0.00 56.10 57.83 3mcf s TRP 119 Cb -0.05 -3.16 -0.01 0.00 -1.15 0.00 0.00 33.47 29.10 3mcf s TRP 119 CO 0.01 -0.18 -0.17 -0.06 0.02 0.00 0.00 176.95 176.57 3mcf s PHE 120 N 0.74 1.59 0.44 -1.98 0.08 0.19 -4.95 117.98 114.09 3mcf s PHE 120 Ca 0.52 -0.35 -0.25 0.00 0.12 0.00 0.00 56.93 56.97 3mcf s PHE 120 Cb -0.23 -1.04 -0.09 0.00 -0.57 0.00 0.00 43.02 41.09 3mcf s PHE 120 CO 0.29 -0.07 1.25 1.63 -0.10 0.00 0.00 175.22 178.22 3mcf n LYS 121 N 2.80 1.83 -0.27 0.44 5.02 -1.26 -0.12 118.16 126.59 3mcf n LYS 121 Ca -0.16 0.65 0.08 0.00 -2.02 0.00 0.00 58.31 56.87 3mcf n LYS 121 Cb 0.54 -2.37 0.22 0.00 -0.02 0.00 0.00 35.03 33.40 3mcf n LYS 121 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3mcf h VAL 122 N 1.92 0.45 -0.38 -0.18 2.07 -1.66 0.10 116.25 118.58 3mcf h VAL 122 Ca -0.48 -0.09 -0.12 0.00 0.82 0.00 0.00 66.70 66.83 3mcf h VAL 122 Cb 1.30 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3mcf h VAL 122 CO 0.59 0.05 -0.25 -0.33 0.02 0.00 0.00 177.57 177.65 3mcf h GLU 123 N 0.26 0.77 -0.49 1.57 4.39 -1.90 -0.68 114.58 118.50 3mcf h GLU 123 Ca 0.47 -0.32 -0.05 0.00 0.34 0.00 0.00 59.36 59.80 3mcf h GLU 123 Cb 0.85 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 3mcf h GLU 123 CO -0.56 0.94 0.11 -0.44 -1.16 0.00 0.00 179.01 177.90 3mcf h ASP 124 N 0.67 0.76 -0.43 1.42 3.32 -1.58 -1.94 116.42 118.63 3mcf h ASP 124 Ca 0.09 -0.24 0.06 0.00 0.02 0.00 0.00 57.03 56.96 3mcf h ASP 124 Cb 0.76 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.06 3mcf h ASP 124 CO 0.06 0.80 0.15 0.00 -1.72 0.00 0.00 179.24 178.53 3mcf h ALA 125 N 0.99 0.51 -0.75 3.45 0.00 -0.45 -1.09 119.26 121.93 3mcf h ALA 125 Ca 0.15 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.17 3mcf h ALA 125 Cb 0.34 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3mcf h ALA 125 CO 0.00 -0.24 0.45 0.82 0.00 0.00 0.00 179.25 180.28 3mcf h ILE 126 N 0.31 1.04 -0.30 0.00 2.04 -0.92 -1.50 117.51 118.18 3mcf h ILE 126 Ca 0.20 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.78 3mcf h ILE 126 Cb 0.20 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 3mcf h ILE 126 CO -0.21 0.15 0.19 0.11 0.00 0.00 0.00 178.15 178.39 3mcf h LYS 127 N 0.84 0.38 0.00 2.37 1.57 -0.44 -0.23 116.57 121.06 3mcf h LYS 127 Ca 0.32 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3mcf h LYS 127 Cb 0.13 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3mcf h LYS 127 CO -0.15 0.25 0.00 -0.39 -0.57 0.00 0.00 179.45 178.59 3mcf h VAL 128 N 0.39 0.00 0.00 0.50 -1.51 -0.94 -3.18 116.25 111.50 3mcf h VAL 128 Ca 0.11 -0.72 -0.23 0.00 -1.23 0.00 0.00 66.70 64.63 3mcf h VAL 128 Cb -0.03 1.71 -0.04 0.00 -2.13 0.00 0.00 31.29 30.80 3mcf h VAL 128 CO -0.03 0.00 -1.44 -0.07 -1.23 0.00 0.00 177.57 174.79 3mcf h LEU 129 N 0.00 0.00 -0.48 4.19 3.38 -0.94 -3.40 115.31 118.06 3mcf h LEU 129 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3mcf h LEU 129 Cb 0.72 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.39 3mcf h LEU 129 CO 0.00 0.85 -0.03 1.56 0.09 0.00 0.00 178.44 180.91 3mcf h GLN 130 N 0.00 0.08 0.46 1.13 4.20 -1.02 0.66 115.11 120.61 3mcf h GLN 130 Ca -0.19 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 3mcf h GLN 130 Cb 1.82 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.58 3mcf h GLN 130 CO 0.08 0.05 -0.27 0.00 -0.67 0.00 0.00 178.83 178.02 3mcf n HIS 132 N -5.40 0.00 -2.79 0.00 8.25 -1.20 -4.68 115.22 109.40 3mcf n HIS 132 Ca -0.11 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.11 3mcf n HIS 132 Cb 0.30 -0.14 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 3mcf n HIS 132 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3mcf n LYS 133 N -1.65 2.74 0.02 -0.41 4.76 0.21 -4.92 118.16 118.91 3mcf n LYS 133 Ca -0.01 -4.35 0.16 0.00 -2.87 0.00 0.00 58.31 51.25 3mcf n LYS 133 Cb 0.19 -2.05 0.63 0.00 -1.84 0.00 0.00 35.03 31.96 3mcf n LYS 133 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3mcf h PRO 134 N 2.85 0.10 -0.54 1.97 0.13 -1.58 0.46 132.00 135.40 3mcf h PRO 134 Ca 0.16 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.19 3mcf h PRO 134 Cb 0.79 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.87 3mcf h PRO 134 CO 0.75 0.07 -0.02 0.28 -0.23 0.00 0.00 178.00 178.84 3mcf h VAL 135 N 0.11 1.26 -0.59 1.56 2.07 -1.91 -1.18 116.25 117.56 3mcf h VAL 135 Ca 0.22 -1.12 -0.10 0.00 0.82 0.00 0.00 66.70 66.52 3mcf h VAL 135 Cb 0.72 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3mcf h VAL 135 CO -0.02 0.40 -0.01 0.45 0.02 0.00 0.00 177.57 178.40 3mcf h HIS 136 N 0.86 1.14 -0.65 1.57 3.86 -1.26 -2.30 115.15 118.37 3mcf h HIS 136 Ca 0.15 -0.20 0.04 0.00 -1.16 0.00 0.00 60.37 59.20 3mcf h HIS 136 Cb 0.54 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.67 3mcf h HIS 136 CO 0.03 1.01 0.43 0.00 0.86 0.00 0.00 177.93 180.26 3mcf h ALA 137 N 1.02 1.66 -0.45 2.45 0.00 -1.09 -1.39 119.26 121.45 3mcf h ALA 137 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3mcf h ALA 137 Cb 0.57 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3mcf h ALA 137 CO 0.03 0.27 0.29 1.49 0.00 0.00 0.00 179.25 181.33 3mcf h GLU 138 N 0.76 0.60 -0.64 0.00 4.81 -0.65 -0.53 114.58 118.93 3mcf h GLU 138 Ca 0.26 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3mcf h GLU 138 Cb 0.09 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 3mcf h GLU 138 CO -0.07 0.40 0.40 1.88 -0.73 0.00 0.00 179.01 180.89 3mcf h TYR 139 N 0.61 0.83 0.00 0.92 0.05 -1.02 -1.47 116.97 116.89 3mcf h TYR 139 Ca 0.16 0.01 -0.18 0.00 0.05 0.00 0.00 58.73 58.77 3mcf h TYR 139 Cb -0.06 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.39 3mcf h TYR 139 CO 0.00 0.55 -0.83 -0.07 -1.05 0.00 0.00 178.16 176.76 3mcf h LEU 140 N 0.87 0.11 -0.70 3.88 3.38 -1.32 -0.99 115.31 120.55 3mcf h LEU 140 Ca 0.23 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3mcf h LEU 140 Cb -0.06 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3mcf h LEU 140 CO -0.05 0.89 0.40 -0.33 0.09 0.00 0.00 178.44 179.44 3mcf h GLU 141 N 0.05 0.97 -0.45 1.13 4.39 -0.94 -0.40 114.58 119.32 3mcf h GLU 141 Ca -0.02 -0.10 -0.11 0.00 0.34 0.00 0.00 59.36 59.46 3mcf h GLU 141 Cb 1.45 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 3mcf h GLU 141 CO 0.12 0.71 -0.15 -0.22 -1.16 0.00 0.00 179.01 178.31 3mcf h LYS 142 N 0.96 0.85 -0.60 2.33 3.64 -1.03 -1.42 116.57 121.29 3mcf h LYS 142 Ca 0.25 -0.31 0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3mcf h LYS 142 Cb 0.02 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.73 3mcf h LYS 142 CO -0.04 0.95 0.33 1.25 -2.27 0.00 0.00 179.45 179.66 3mcf h LEU 143 N 0.76 0.49 -0.53 5.20 5.85 -0.84 -0.75 115.31 125.48 3mcf h LEU 143 Ca 0.12 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 3mcf h LEU 143 Cb 0.67 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 3mcf h LEU 143 CO 0.05 0.33 0.13 0.11 -0.34 0.00 0.00 178.44 178.72 3mcf h LYS 144 N 0.62 0.85 -0.68 1.25 1.57 -0.70 0.15 116.57 119.62 3mcf h LYS 144 Ca 0.26 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3mcf h LYS 144 Cb 0.14 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3mcf h LYS 144 CO -0.16 0.80 0.31 0.00 -0.57 0.00 0.00 179.45 179.83 3mcf h ALA 145 N 1.01 0.88 -0.32 3.86 0.00 -0.97 -1.82 119.26 121.91 3mcf h ALA 145 Ca 0.17 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3mcf h ALA 145 Cb 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3mcf h ALA 145 CO 0.00 0.47 -0.34 0.45 0.00 0.00 0.00 179.25 179.82 3mcf h HIS 146 N 0.96 0.84 -0.56 0.00 3.86 -0.80 -2.98 115.15 116.47 3mcf h HIS 146 Ca 0.23 -0.23 0.06 0.00 -1.16 0.00 0.00 60.37 59.27 3mcf h HIS 146 Cb 0.15 -0.19 -0.05 0.00 1.06 0.00 0.00 27.41 28.38 3mcf h HIS 146 CO 0.01 0.96 0.27 0.45 0.86 0.00 0.00 177.93 180.48 3mcf h HIS 147 N 0.60 0.49 -0.64 2.45 -0.00 -0.39 -1.48 115.15 116.18 3mcf h HIS 147 Ca 0.06 0.02 0.15 0.00 -0.00 0.00 0.00 60.37 60.60 3mcf h HIS 147 Cb 0.87 -0.14 -0.04 0.00 -0.00 0.00 0.00 27.41 28.11 3mcf h HIS 147 CO 0.04 0.22 0.44 1.25 -0.00 0.00 0.00 177.93 179.88 3mcf h HIS 148 N 0.51 0.26 -0.58 2.45 6.17 -1.18 0.26 115.15 123.05 3mcf h HIS 148 Ca 0.26 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.35 3mcf h HIS 148 Cb 0.20 -0.08 0.00 0.00 2.52 0.00 0.00 27.41 30.05 3mcf h HIS 148 CO -0.11 0.10 0.00 0.72 0.71 0.00 0.00 177.93 179.35 3mcf n HIS 149 N -4.43 1.44 -3.78 5.26 8.25 -0.82 -4.97 115.22 116.17 3mcf n HIS 149 Ca 0.12 -0.65 -0.26 0.00 -0.26 0.00 0.00 57.72 56.67 3mcf n HIS 149 Cb 0.55 -0.27 0.04 0.00 1.12 0.00 0.00 29.99 31.43 3mcf n HIS 149 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3mcf n HIS 150 N 0.84 -2.32 -1.80 4.41 -0.00 0.92 -5.08 115.22 112.19 3mcf n HIS 150 Ca 0.25 0.91 0.00 0.00 -0.00 0.00 0.00 57.72 58.88 3mcf n HIS 150 Cb 0.90 -4.34 0.00 0.00 -0.00 0.00 0.00 29.99 26.55 3mcf n HIS 150 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95