#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bld n ALA 2 N 0.00 -2.79 -1.00 3.04 0.00 -1.26 -4.93 120.51 113.57 1bld n ALA 2 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 53.44 54.92 1bld n ALA 2 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.30 1bld n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bld n GLU 3 N 1.84 0.00 -1.18 0.00 1.02 -1.26 -4.67 120.64 116.39 1bld n GLU 3 Ca -0.23 0.01 -0.37 0.00 -0.02 0.00 0.00 57.16 56.55 1bld n GLU 3 Cb 0.35 -0.53 0.05 0.00 -0.02 0.00 0.00 31.44 31.29 1bld n GLU 3 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bld n GLY 4 N -0.03 -2.51 0.00 0.62 0.00 -1.26 -4.79 105.19 97.21 1bld n GLY 4 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1bld n GLY 4 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1bld n GLU 5 N 0.30 0.00 -1.91 1.61 4.07 -1.26 -4.98 120.64 118.46 1bld n GLU 5 Ca 0.07 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.88 1bld n GLU 5 Cb 0.51 -0.17 0.06 0.00 -0.06 0.00 0.00 31.44 31.78 1bld n GLU 5 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 1bld s ILE 6 N 0.00 3.03 1.03 6.31 -0.00 -1.26 -5.01 121.20 125.30 1bld s ILE 6 Ca 0.00 0.31 -0.19 0.00 -0.00 0.00 0.00 60.65 60.77 1bld s ILE 6 Cb 0.00 -3.32 0.05 0.00 -0.00 0.00 0.00 42.46 39.18 1bld s ILE 6 CO 0.00 -0.42 -0.29 0.35 -0.00 0.00 0.00 174.94 174.57 1bld n THR 7 N -3.08 0.00 0.05 8.37 -2.24 -1.26 -4.88 114.28 111.23 1bld n THR 7 Ca 0.07 -0.15 -0.05 0.00 -2.27 0.00 0.00 64.05 61.66 1bld n THR 7 Cb 0.58 -0.40 -0.10 0.00 -2.10 0.00 0.00 70.33 68.32 1bld n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bld h THR 8 N -1.98 1.16 -3.23 4.28 1.03 -2.00 -3.46 112.91 108.70 1bld h THR 8 Ca -0.40 -2.82 -0.55 0.00 -0.01 0.00 0.00 66.41 62.63 1bld h THR 8 Cb 1.15 2.54 -0.03 0.00 -1.07 0.00 0.00 68.15 70.74 1bld h THR 8 CO 0.26 0.66 -0.21 -0.76 -0.01 0.00 0.00 175.52 175.46 1bld s LEU 9 N -6.36 4.18 0.35 0.00 1.43 -1.26 -5.03 118.68 111.98 1bld s LEU 9 Ca -0.01 0.71 -0.28 0.00 -1.03 0.00 0.00 54.13 53.52 1bld s LEU 9 Cb 0.09 -3.47 -0.12 0.00 0.03 0.00 0.00 46.19 42.72 1bld s LEU 9 CO 0.81 -0.06 1.42 -0.81 0.23 0.00 0.00 176.35 177.94 1bld n PRO 10 N -0.30 2.44 -1.58 1.29 -0.04 -1.26 -4.89 135.00 130.67 1bld n PRO 10 Ca -0.01 0.86 -0.33 0.00 -0.04 0.00 0.00 63.50 63.98 1bld n PRO 10 Cb 0.53 -2.54 0.02 0.00 -0.04 0.00 0.00 33.50 31.47 1bld n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bld n ALA 11 N 0.65 6.33 -3.78 0.55 0.00 -1.26 -4.87 120.51 118.13 1bld n ALA 11 Ca 0.04 -3.43 -0.24 0.00 0.00 0.00 0.00 53.44 49.81 1bld n ALA 11 Cb 0.37 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.89 1bld n ALA 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bld n LEU 12 N -0.11 -2.01 -3.85 0.00 4.77 -1.26 -4.64 117.00 109.90 1bld n LEU 12 Ca 0.52 -0.95 -0.38 0.00 -0.03 0.00 0.00 56.01 55.17 1bld n LEU 12 Cb 0.44 -1.67 -0.08 0.00 -2.33 0.00 0.00 43.42 39.77 1bld n LEU 12 CO 0.50 0.35 1.69 -0.81 -1.33 0.00 0.00 177.39 177.79 1bld n PRO 13 N -2.62 0.88 -3.14 3.23 -0.04 -1.26 -4.40 135.00 127.66 1bld n PRO 13 Ca -0.31 -1.66 -0.11 0.00 -0.04 0.00 0.00 63.50 61.38 1bld n PRO 13 Cb 0.69 -3.04 0.01 0.00 -0.04 0.00 0.00 33.50 31.13 1bld n PRO 13 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1bld n GLU 14 N 7.66 -1.57 -0.03 0.54 2.13 -1.26 -4.92 120.64 123.20 1bld n GLU 14 Ca 0.47 1.49 -0.17 0.00 0.66 0.00 0.00 57.16 59.61 1bld n GLU 14 Cb 0.43 -2.65 -0.14 0.00 0.27 0.00 0.00 31.44 29.34 1bld n GLU 14 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1bld n ASP 15 N 0.63 1.70 -4.40 4.31 -0.08 -1.26 -4.59 116.55 112.87 1bld n ASP 15 Ca -0.01 0.19 -0.45 0.00 -1.51 0.00 0.00 54.79 53.01 1bld n ASP 15 Cb 0.44 -0.51 -0.01 0.00 2.34 0.00 0.00 41.12 43.38 1bld n ASP 15 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1bld s GLY 16 N -5.62 2.62 0.00 0.27 0.00 -1.26 -4.93 107.32 98.40 1bld s GLY 16 Ca -0.20 -3.39 0.00 0.00 0.00 0.00 0.00 44.72 41.13 1bld s GLY 16 CO 0.76 1.67 0.00 0.61 0.00 0.00 0.00 173.10 176.14 1bld n GLY 17 N 3.92 4.21 2.59 0.20 0.00 -1.26 -5.12 105.19 109.73 1bld n GLY 17 Ca 0.26 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 1bld n GLY 17 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bld n SER 18 N 0.00 -2.12 -2.73 1.61 7.64 -1.26 -5.00 113.62 111.76 1bld n SER 18 Ca 0.00 -2.77 -0.09 0.00 1.01 0.00 0.00 58.87 57.03 1bld n SER 18 Cb 0.00 0.81 0.09 0.00 -1.01 0.00 0.00 64.21 64.10 1bld n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bld n GLY 19 N 2.62 0.54 0.00 0.23 0.00 -1.26 -5.02 105.19 102.30 1bld n GLY 19 Ca 0.21 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1bld n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bld n ALA 20 N 0.34 0.00 -0.07 4.61 0.00 -1.26 -4.58 120.51 119.56 1bld n ALA 20 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 1bld n ALA 20 Cb 0.71 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.13 1bld n ALA 20 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1bld h PHE 21 N 0.00 0.29 -3.75 0.00 0.04 -2.03 -3.43 116.94 108.06 1bld h PHE 21 Ca 0.00 0.01 -0.46 0.00 2.80 0.00 0.00 57.97 60.32 1bld h PHE 21 Cb 0.00 -0.10 0.17 0.00 2.20 0.00 0.00 35.95 38.23 1bld h PHE 21 CO 0.00 0.18 0.15 -1.25 -0.60 0.00 0.00 178.31 176.79 1bld s PRO 22 N -6.17 0.20 0.82 1.51 0.05 -1.26 -4.94 135.00 125.20 1bld s PRO 22 Ca -0.13 0.73 -0.14 0.00 0.05 0.00 0.00 61.00 61.51 1bld s PRO 22 Cb 0.09 -1.69 0.05 0.00 0.05 0.00 0.00 34.50 33.00 1bld s PRO 22 CO 0.70 -2.94 0.94 -2.30 0.05 0.00 0.00 177.00 173.45 1bld n PRO 23 N -4.35 0.12 0.00 0.56 -0.01 -1.26 -4.73 135.00 125.32 1bld n PRO 23 Ca 0.05 0.11 0.00 0.00 -0.01 0.00 0.00 63.50 63.65 1bld n PRO 23 Cb 0.56 -2.22 0.00 0.00 -0.01 0.00 0.00 33.50 31.82 1bld n PRO 23 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1bld n GLY 24 N 0.91 0.24 2.43 -1.23 0.00 -1.26 -4.78 105.19 101.49 1bld n GLY 24 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1bld n GLY 24 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bld n HIS 25 N 0.00 -0.52 -2.69 1.61 8.25 -1.26 -4.93 115.22 115.69 1bld n HIS 25 Ca 0.00 -3.14 -0.06 0.00 -0.26 0.00 0.00 57.72 54.26 1bld n HIS 25 Cb 0.00 0.19 0.04 0.00 1.12 0.00 0.00 29.99 31.34 1bld n HIS 25 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1bld n PHE 26 N 0.18 1.51 -2.08 4.41 3.01 -1.26 -4.80 117.46 118.42 1bld n PHE 26 Ca 0.16 -2.33 0.01 0.00 1.01 0.00 0.00 57.45 56.30 1bld n PHE 26 Cb 0.71 -0.27 0.01 0.00 -0.01 0.00 0.00 39.48 39.92 1bld n PHE 26 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1bld n LYS 27 N -0.49 0.03 -3.75 -1.08 4.81 -1.26 -4.65 118.16 111.77 1bld n LYS 27 Ca 0.13 -1.23 -0.13 0.00 -0.87 0.00 0.00 58.31 56.21 1bld n LYS 27 Cb 0.82 -0.42 -0.09 0.00 0.02 0.00 0.00 35.03 35.36 1bld n LYS 27 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1bld s ASP 28 N -1.23 -0.22 0.65 3.14 1.11 -1.26 -5.14 116.67 113.72 1bld s ASP 28 Ca 0.07 0.15 -0.18 0.00 0.18 0.00 0.00 52.55 52.78 1bld s ASP 28 Cb 0.08 0.35 -0.01 0.00 1.07 0.00 0.00 42.92 44.41 1bld s ASP 28 CO -0.03 -0.43 1.21 -0.81 1.18 0.00 0.00 175.17 176.29 1bld n PRO 29 N 1.39 1.01 -4.00 8.23 -0.04 -1.26 -4.55 135.00 135.77 1bld n PRO 29 Ca -0.21 0.40 -0.13 0.00 -0.04 0.00 0.00 63.50 63.52 1bld n PRO 29 Cb 0.56 -2.44 -0.14 0.00 -0.04 0.00 0.00 33.50 31.44 1bld n PRO 29 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1bld s LYS 30 N -3.27 0.21 -0.17 0.54 1.02 -1.07 -3.15 119.74 113.85 1bld s LYS 30 Ca 0.81 -0.15 -0.15 0.00 0.02 0.00 0.00 55.97 56.49 1bld s LYS 30 Cb -0.38 -0.16 -0.04 0.00 -0.52 0.00 0.00 37.83 36.72 1bld s LYS 30 CO 0.42 0.04 0.36 1.03 -0.92 0.00 0.00 175.35 176.28 1bld s ARG 31 N -0.23 4.24 -0.15 1.68 0.52 -1.08 -3.60 118.95 120.32 1bld s ARG 31 Ca -0.01 0.18 -0.25 0.00 -0.52 0.00 0.00 55.73 55.13 1bld s ARG 31 Cb -0.02 -3.47 -0.02 0.00 0.52 0.00 0.00 34.95 31.96 1bld s ARG 31 CO -0.00 0.12 0.80 -0.51 0.02 0.00 0.00 175.30 175.73 1bld s LEU 32 N 0.82 4.20 -0.25 2.53 1.43 -1.26 -2.43 118.68 123.71 1bld s LEU 32 Ca 0.19 1.16 -0.02 0.00 -1.03 0.00 0.00 54.13 54.44 1bld s LEU 32 Cb -0.14 -3.20 0.03 0.00 0.03 0.00 0.00 46.19 42.91 1bld s LEU 32 CO 0.06 -0.35 -0.05 -0.47 0.23 0.00 0.00 176.35 175.77 1bld s TYR 33 N 1.92 3.09 -0.54 0.29 5.04 -1.25 -3.13 117.35 122.77 1bld s TYR 33 Ca 0.38 -1.61 -0.24 0.00 -2.44 0.00 0.00 57.07 53.16 1bld s TYR 33 Cb -0.17 -2.06 0.04 0.00 0.35 0.00 0.00 41.96 40.12 1bld s TYR 33 CO 0.13 -0.74 0.92 0.00 -1.34 0.00 0.00 175.55 174.52 1bld h LYS 35 N 9.27 0.27 -6.13 0.00 3.64 -1.85 -0.87 116.57 120.90 1bld h LYS 35 Ca -0.26 -0.02 -0.54 0.00 -1.27 0.00 0.00 60.65 58.57 1bld h LYS 35 Cb 1.08 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 1bld h LYS 35 CO 1.08 0.18 1.31 -0.80 -2.27 0.00 0.00 179.45 178.94 1bld s ASN 36 N -5.10 5.59 0.00 4.20 -0.87 -1.26 -2.19 114.94 115.31 1bld s ASN 36 Ca -0.08 0.82 0.00 0.00 -1.57 0.00 0.00 52.86 52.03 1bld s ASN 36 Cb 0.26 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.96 1bld s ASN 36 CO 0.80 -2.03 0.00 0.61 -2.57 0.00 0.00 177.10 173.91 1bld n GLY 37 N 5.54 0.55 3.91 0.66 0.00 -1.26 -3.76 105.19 110.84 1bld n GLY 37 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1bld n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bld n GLY 38 N -2.02 -0.51 3.74 -0.02 0.00 -0.40 -4.93 105.19 101.05 1bld n GLY 38 Ca 0.00 0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 1bld n GLY 38 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bld s PHE 39 N -3.80 3.39 -0.31 1.61 0.08 -0.82 -4.58 117.98 113.55 1bld s PHE 39 Ca 0.20 0.29 -0.17 0.00 0.12 0.00 0.00 56.93 57.36 1bld s PHE 39 Cb -0.08 -2.03 -0.02 0.00 -0.57 0.00 0.00 43.02 40.33 1bld s PHE 39 CO 0.90 0.40 0.49 -0.06 -0.10 0.00 0.00 175.22 176.84 1bld s PHE 40 N -0.18 3.21 0.24 0.36 0.40 -0.82 -0.58 117.98 120.62 1bld s PHE 40 Ca 0.09 0.33 -0.30 0.00 -0.60 0.00 0.00 56.93 56.44 1bld s PHE 40 Cb -0.12 -2.81 -0.14 0.00 0.51 0.00 0.00 43.02 40.46 1bld s PHE 40 CO 0.01 -0.42 1.18 -0.11 0.70 0.00 0.00 175.22 176.58 1bld n LEU 41 N 5.61 2.18 -3.69 -0.37 7.94 -1.18 -1.56 117.00 125.93 1bld n LEU 41 Ca -0.05 1.16 -0.12 0.00 -1.11 0.00 0.00 56.01 55.88 1bld n LEU 41 Cb 0.49 -1.32 -0.13 0.00 0.53 0.00 0.00 43.42 43.00 1bld n LEU 41 CO 0.42 -1.07 -0.10 -0.60 -1.11 0.00 0.00 177.39 174.94 1bld s ARG 42 N -0.93 0.20 -0.24 1.96 3.52 -0.54 -4.60 118.95 118.33 1bld s ARG 42 Ca 0.65 0.69 -0.16 0.00 -0.13 0.00 0.00 55.73 56.79 1bld s ARG 42 Cb -0.72 -0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 32.59 1bld s ARG 42 CO 0.55 -0.23 0.40 0.42 -0.81 0.00 0.00 175.30 175.64 1bld s ILE 43 N 1.92 5.17 0.46 4.11 1.01 -1.26 -2.06 121.20 130.56 1bld s ILE 43 Ca -0.04 0.67 -0.20 0.00 0.00 0.00 0.00 60.65 61.09 1bld s ILE 43 Cb -0.11 -3.73 -0.10 0.00 0.01 0.00 0.00 42.46 38.53 1bld s ILE 43 CO -0.09 0.19 0.96 -1.00 0.00 0.00 0.00 174.94 175.00 1bld s HIS 44 N 1.75 3.34 0.62 3.97 3.76 -0.89 -4.72 115.29 123.12 1bld s HIS 44 Ca 0.18 1.57 0.34 0.00 -0.15 0.00 0.00 55.06 56.99 1bld s HIS 44 Cb -0.15 -2.84 1.98 0.00 1.11 0.00 0.00 32.58 32.68 1bld s HIS 44 CO 0.09 -0.22 2.25 -1.00 -0.85 0.00 0.00 174.74 175.01 1bld h PRO 45 N 1.59 0.00 0.00 8.40 0.13 -1.94 0.56 132.00 140.73 1bld h PRO 45 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1bld h PRO 45 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1bld h PRO 45 CO 0.61 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.98 1bld n ASP 46 N -3.55 0.00 0.00 1.44 5.68 -1.26 -4.84 116.55 114.02 1bld n ASP 46 Ca -0.02 -0.99 0.00 0.00 -0.50 0.00 0.00 54.79 53.27 1bld n ASP 46 Cb 0.13 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 1bld n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bld n GLY 47 N 0.42 2.59 3.19 6.12 0.00 0.19 -5.01 105.19 112.69 1bld n GLY 47 Ca 0.12 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1bld n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bld n ARG 48 N 0.00 -0.59 -3.80 1.61 5.12 -1.26 -3.06 116.66 114.68 1bld n ARG 48 Ca 0.00 -0.16 -0.14 0.00 -1.93 0.00 0.00 57.85 55.63 1bld n ARG 48 Cb 0.00 -1.44 -0.15 0.00 -1.16 0.00 0.00 32.46 29.72 1bld n ARG 48 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1bld s VAL 49 N -2.17 -0.03 -0.11 1.55 1.01 -1.26 -2.10 120.40 117.28 1bld s VAL 49 Ca 0.48 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 1bld s VAL 49 Cb -0.10 -0.12 0.11 0.00 0.00 0.00 0.00 36.38 36.28 1bld s VAL 49 CO 0.70 0.05 0.92 1.51 0.00 0.00 0.00 175.10 178.27 1bld s ASP 50 N 0.68 -0.42 0.25 3.32 1.47 -0.87 -4.28 116.67 116.81 1bld s ASP 50 Ca -0.05 0.37 -0.05 0.00 1.18 0.00 0.00 52.55 54.00 1bld s ASP 50 Cb -0.08 0.36 -0.05 0.00 -0.34 0.00 0.00 42.92 42.81 1bld s ASP 50 CO -0.02 -0.45 0.50 -0.83 0.68 0.00 0.00 175.17 175.05 1bld s GLY 51 N -1.42 1.95 -0.04 2.12 0.00 0.12 -1.47 107.32 108.59 1bld s GLY 51 Ca -0.02 -0.57 -0.08 0.00 0.00 0.00 0.00 44.72 44.05 1bld s GLY 51 CO 0.01 -0.47 0.19 -1.34 0.00 0.00 0.00 173.10 171.48 1bld s VAL 52 N -1.95 0.04 0.27 1.40 -7.23 -0.60 -4.54 120.40 107.79 1bld s VAL 52 Ca 0.43 -0.32 -0.01 0.00 -1.81 0.00 0.00 61.98 60.28 1bld s VAL 52 Cb -0.11 -0.38 0.12 0.00 0.56 0.00 0.00 36.38 36.57 1bld s VAL 52 CO 0.28 -0.17 1.78 0.03 -0.31 0.00 0.00 175.10 176.71 1bld h ARG 53 N 5.02 0.75 -5.16 4.82 2.47 -1.88 -2.17 114.38 118.24 1bld h ARG 53 Ca -0.28 -0.19 -0.35 0.00 -1.26 0.00 0.00 59.98 57.90 1bld h ARG 53 Cb 1.19 -0.09 -0.07 0.00 -1.65 0.00 0.00 29.97 29.35 1bld h ARG 53 CO 0.39 0.76 1.50 0.39 0.56 0.00 0.00 179.97 183.57 1bld n GLU 54 N -4.23 0.27 0.00 0.04 4.71 -1.26 -4.66 120.64 115.51 1bld n GLU 54 Ca 0.02 -0.17 0.15 0.00 -0.01 0.00 0.00 57.16 57.15 1bld n GLU 54 Cb 0.29 -2.05 0.68 0.00 -1.01 0.00 0.00 31.44 29.35 1bld n GLU 54 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1bld n LYS 55 N 7.54 1.18 -0.46 3.49 -0.00 -1.26 -3.44 118.16 125.21 1bld n LYS 55 Ca 0.59 -0.45 0.07 0.00 -0.00 0.00 0.00 58.31 58.51 1bld n LYS 55 Cb 0.23 -1.49 0.26 0.00 -0.00 0.00 0.00 35.03 34.03 1bld n LYS 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1bld n SER 56 N -0.51 3.61 -4.56 -5.58 3.41 -1.26 -4.78 113.62 103.95 1bld n SER 56 Ca 0.19 -2.34 -0.42 0.00 -0.26 0.00 0.00 58.87 56.04 1bld n SER 56 Cb 0.26 -0.50 -0.07 0.00 -0.26 0.00 0.00 64.21 63.64 1bld n SER 56 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bld s ASP 57 N -0.76 6.38 0.00 4.04 1.01 -1.22 -4.90 116.67 121.21 1bld s ASP 57 Ca 0.37 0.06 0.01 0.00 0.71 0.00 0.00 52.55 53.70 1bld s ASP 57 Cb 0.24 -2.30 0.08 0.00 1.01 0.00 0.00 42.92 41.95 1bld s ASP 57 CO 0.17 -0.56 0.68 -2.65 0.21 0.00 0.00 175.17 173.02 1bld n PRO 58 N 5.93 0.04 0.08 8.23 -0.02 -1.26 -1.24 135.00 146.76 1bld n PRO 58 Ca -0.03 0.10 -0.04 0.00 -2.02 0.00 0.00 63.50 61.51 1bld n PRO 58 Cb 0.49 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.40 1bld n PRO 58 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1bld h HIS 59 N 0.00 0.00 0.00 6.00 3.86 -1.95 -3.05 115.15 120.01 1bld h HIS 59 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1bld h HIS 59 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1bld h HIS 59 CO 0.00 0.86 0.00 0.44 0.86 0.00 0.00 177.93 180.09 1bld n ILE 60 N -3.35 0.47 -2.31 2.45 -5.35 -0.37 -4.44 119.36 106.46 1bld n ILE 60 Ca 0.00 0.12 -0.34 0.00 -0.27 0.00 0.00 62.75 62.26 1bld n ILE 60 Cb 0.87 -0.80 -0.04 0.00 -1.74 0.00 0.00 39.64 37.93 1bld n ILE 60 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1bld s LYS 61 N -2.63 3.12 -0.02 6.28 1.02 -1.15 -4.48 119.74 121.88 1bld s LYS 61 Ca 0.17 -0.99 -0.19 0.00 0.02 0.00 0.00 55.97 54.98 1bld s LYS 61 Cb 0.13 -5.27 -0.05 0.00 -0.52 0.00 0.00 37.83 32.11 1bld s LYS 61 CO 0.30 -2.91 0.54 -0.51 -0.92 0.00 0.00 175.35 171.85 1bld s LEU 62 N 7.59 4.41 -0.46 3.17 1.43 -1.24 -3.76 118.68 129.82 1bld s LEU 62 Ca 0.59 1.07 -0.22 0.00 -1.03 0.00 0.00 54.13 54.54 1bld s LEU 62 Cb -0.02 -2.82 0.03 0.00 0.03 0.00 0.00 46.19 43.41 1bld s LEU 62 CO -0.00 0.13 0.74 -1.58 0.23 0.00 0.00 176.35 175.88 1bld s GLN 63 N -0.26 3.34 0.41 1.70 0.74 0.17 -2.61 119.66 123.15 1bld s GLN 63 Ca 0.29 -0.26 -0.08 0.00 0.05 0.00 0.00 55.36 55.36 1bld s GLN 63 Cb -0.17 -3.96 -0.05 0.00 1.10 0.00 0.00 33.01 29.92 1bld s GLN 63 CO 0.15 -1.13 0.74 -0.51 -0.55 0.00 0.00 175.29 173.99 1bld s LEU 64 N 3.16 3.80 0.00 3.68 1.02 -1.26 -1.27 118.68 127.81 1bld s LEU 64 Ca 0.27 0.99 0.04 0.00 0.02 0.00 0.00 54.13 55.44 1bld s LEU 64 Cb -0.13 -3.88 -0.01 0.00 0.02 0.00 0.00 46.19 42.18 1bld s LEU 64 CO 0.20 -0.42 0.16 0.00 0.02 0.00 0.00 176.35 176.31 1bld n GLN 65 N -1.57 0.23 -4.46 1.70 6.02 0.25 -4.72 117.38 114.83 1bld n GLN 65 Ca 0.01 -1.77 -0.21 0.00 -0.01 0.00 0.00 57.00 55.02 1bld n GLN 65 Cb 0.54 1.47 -0.14 0.00 1.02 0.00 0.00 30.24 33.14 1bld n GLN 65 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bld s ALA 66 N -2.69 1.25 -0.04 -1.58 0.00 -1.26 -2.25 121.76 115.19 1bld s ALA 66 Ca 0.21 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 51.29 1bld s ALA 66 Cb 0.01 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1bld s ALA 66 CO 0.15 0.26 0.18 -1.21 0.00 0.00 0.00 175.76 175.14 1bld s GLU 67 N -0.95 0.35 0.85 0.00 0.41 0.37 -4.80 118.70 114.93 1bld s GLU 67 Ca 0.03 -0.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.58 1bld s GLU 67 Cb -0.07 0.16 0.00 0.00 -1.78 0.00 0.00 34.13 32.43 1bld s GLU 67 CO 0.01 -0.07 0.00 0.39 -0.49 0.00 0.00 175.26 175.10 1bld n GLU 68 N 2.29 0.00 -2.67 1.61 1.02 -1.26 -1.51 120.64 120.12 1bld n GLU 68 Ca -0.17 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.56 1bld n GLU 68 Cb 0.57 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 32.01 1bld n GLU 68 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1bld n ARG 69 N -0.75 5.09 0.00 3.49 1.74 -1.26 -4.28 116.66 120.70 1bld n ARG 69 Ca 0.00 -4.51 0.00 0.00 -0.77 0.00 0.00 57.85 52.57 1bld n ARG 69 Cb 0.00 -2.51 0.00 0.00 -1.02 0.00 0.00 32.46 28.93 1bld n ARG 69 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bld n GLY 70 N 0.52 0.56 3.61 -0.13 0.00 -1.23 -5.11 105.19 103.40 1bld n GLY 70 Ca 0.43 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 1bld n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bld s VAL 71 N 0.00 5.06 0.70 1.61 1.01 -0.57 -4.04 120.40 124.17 1bld s VAL 71 Ca 0.00 0.80 0.02 0.00 0.00 0.00 0.00 61.98 62.80 1bld s VAL 71 Cb 0.00 -3.85 0.13 0.00 0.00 0.00 0.00 36.38 32.66 1bld s VAL 71 CO 0.00 0.04 0.97 0.68 0.00 0.00 0.00 175.10 176.79 1bld s VAL 72 N 2.33 2.06 -0.15 2.92 -7.23 -1.22 0.14 120.40 119.25 1bld s VAL 72 Ca 0.21 -0.71 -0.04 0.00 -1.81 0.00 0.00 61.98 59.63 1bld s VAL 72 Cb -0.16 -2.35 0.07 0.00 0.56 0.00 0.00 36.38 34.50 1bld s VAL 72 CO 0.10 0.00 0.24 -0.44 -0.31 0.00 0.00 175.10 174.68 1bld s SER 73 N -4.76 0.71 0.04 4.85 0.01 -0.95 -4.29 113.70 109.31 1bld s SER 73 Ca 0.66 0.30 -0.07 0.00 1.31 0.00 0.00 55.95 58.16 1bld s SER 73 Cb -0.05 0.54 -0.05 0.00 0.21 0.00 0.00 66.02 66.68 1bld s SER 73 CO 0.44 -0.27 0.31 -0.63 0.41 0.00 0.00 173.24 173.50 1bld s ILE 74 N 2.37 5.24 -0.15 1.44 1.01 -1.26 0.84 121.20 130.70 1bld s ILE 74 Ca 0.04 0.20 -0.08 0.00 0.00 0.00 0.00 60.65 60.80 1bld s ILE 74 Cb -0.13 -3.59 0.06 0.00 0.01 0.00 0.00 42.46 38.80 1bld s ILE 74 CO -0.09 0.30 0.36 -0.75 0.00 0.00 0.00 174.94 174.76 1bld s LYS 75 N -1.92 0.33 0.07 2.79 2.36 -0.40 -4.28 119.74 118.69 1bld s LYS 75 Ca 0.31 0.72 -0.29 0.00 -2.55 0.00 0.00 55.97 54.16 1bld s LYS 75 Cb -0.13 -0.04 -0.05 0.00 -1.05 0.00 0.00 37.83 36.56 1bld s LYS 75 CO 0.18 -0.17 0.91 0.20 1.55 0.00 0.00 175.35 178.02 1bld s GLY 76 N 1.45 2.93 0.00 5.54 0.00 0.01 0.43 107.32 117.67 1bld s GLY 76 Ca -0.09 0.48 0.00 0.00 0.00 0.00 0.00 44.72 45.12 1bld s GLY 76 CO -0.11 1.39 0.00 -0.62 0.00 0.00 0.00 173.10 173.76 1bld n VAL 77 N 2.97 0.00 -0.18 1.40 0.31 -1.25 -1.02 118.33 120.56 1bld n VAL 77 Ca 0.01 0.29 -0.04 0.00 -0.01 0.00 0.00 64.34 64.59 1bld n VAL 77 Cb 0.50 -0.85 0.02 0.00 -0.91 0.00 0.00 33.84 32.60 1bld n VAL 77 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1bld h SER 78 N 0.00 -0.91 0.70 4.52 0.02 -1.83 0.82 113.55 116.87 1bld h SER 78 Ca 0.00 0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1bld h SER 78 Cb 0.00 0.48 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 1bld h SER 78 CO 0.00 -0.27 -0.09 0.00 -1.14 0.00 0.00 176.83 175.32 1bld h ALA 79 N 1.18 1.08 -6.09 3.77 0.00 -1.85 -3.46 119.26 113.90 1bld h ALA 79 Ca 0.24 -0.09 -0.46 0.00 0.00 0.00 0.00 54.91 54.60 1bld h ALA 79 Cb 0.51 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 1bld h ALA 79 CO -0.63 0.12 -0.72 0.09 0.00 0.00 0.00 179.25 178.11 1bld n ASN 80 N -3.32 -4.45 -4.09 0.00 4.13 0.28 -4.95 115.26 102.87 1bld n ASN 80 Ca -0.01 -0.70 -0.11 0.00 1.68 0.00 0.00 54.58 55.44 1bld n ASN 80 Cb 0.29 -3.59 -0.11 0.00 -1.54 0.00 0.00 39.78 34.84 1bld n ASN 80 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1bld s ARG 81 N -6.49 0.61 -0.08 3.52 0.52 -1.14 -4.77 118.95 111.12 1bld s ARG 81 Ca 0.61 -1.00 -0.15 0.00 -0.52 0.00 0.00 55.73 54.67 1bld s ARG 81 Cb -0.31 -0.14 -0.05 0.00 0.52 0.00 0.00 34.95 34.97 1bld s ARG 81 CO 0.75 -0.01 0.37 0.71 0.02 0.00 0.00 175.30 177.14 1bld s TYR 82 N -2.50 3.59 0.47 -0.53 1.51 0.11 -0.81 117.35 119.18 1bld s TYR 82 Ca -0.01 0.82 -0.24 0.00 -1.01 0.00 0.00 57.07 56.63 1bld s TYR 82 Cb -0.02 -2.34 -0.07 0.00 -0.11 0.00 0.00 41.96 39.41 1bld s TYR 82 CO -0.03 0.42 1.28 -1.17 -1.11 0.00 0.00 175.55 174.94 1bld s LEU 83 N -0.22 4.04 -0.15 -1.29 2.96 -1.26 -2.47 118.68 120.29 1bld s LEU 83 Ca 0.21 2.59 -0.09 0.00 -0.22 0.00 0.00 54.13 56.62 1bld s LEU 83 Cb -0.15 -4.12 0.05 0.00 0.50 0.00 0.00 46.19 42.47 1bld s LEU 83 CO 0.09 -1.10 0.37 0.00 -1.32 0.00 0.00 176.35 174.39 1bld s ALA 84 N -1.36 -0.92 -0.05 5.97 0.00 -0.25 -4.23 121.76 120.92 1bld s ALA 84 Ca 0.63 1.30 -0.07 0.00 0.00 0.00 0.00 51.96 53.83 1bld s ALA 84 Cb -0.36 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 1bld s ALA 84 CO 0.44 -0.23 0.21 1.41 0.00 0.00 0.00 175.76 177.59 1bld s MET 85 N 1.08 3.52 0.66 0.00 1.75 -1.13 -1.79 119.30 123.39 1bld s MET 85 Ca -0.07 -0.10 0.03 0.00 -1.25 0.00 0.00 55.69 54.30 1bld s MET 85 Cb -0.07 -3.15 0.11 0.00 2.84 0.00 0.00 34.83 34.56 1bld s MET 85 CO -0.09 0.72 0.91 0.15 -0.65 0.00 0.00 175.02 176.06 1bld s LYS 86 N -1.40 1.92 0.07 4.11 -0.14 -0.83 -4.83 119.74 118.64 1bld s LYS 86 Ca 0.21 -1.31 0.25 0.00 -1.36 0.00 0.00 55.97 53.77 1bld s LYS 86 Cb -0.13 -2.45 0.59 0.00 -1.68 0.00 0.00 37.83 34.16 1bld s LYS 86 CO 0.11 -1.22 1.50 -0.85 -0.76 0.00 0.00 175.35 174.13 1bld n GLU 87 N -2.61 0.15 0.00 1.68 0.28 -1.26 -3.40 120.64 115.49 1bld n GLU 87 Ca 0.15 0.06 0.14 0.00 -0.16 0.00 0.00 57.16 57.35 1bld n GLU 87 Cb 0.61 -1.61 0.53 0.00 1.43 0.00 0.00 31.44 32.39 1bld n GLU 87 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1bld n ASP 88 N -1.84 1.03 0.00 -1.84 5.68 -1.26 -4.88 116.55 113.43 1bld n ASP 88 Ca 0.05 -1.09 0.00 0.00 -0.50 0.00 0.00 54.79 53.25 1bld n ASP 88 Cb 0.39 0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1bld n ASP 88 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bld n GLY 89 N 1.24 0.73 3.62 6.12 0.00 -1.22 -4.76 105.19 110.91 1bld n GLY 89 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1bld n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bld s ARG 90 N -0.67 4.02 -0.09 1.61 0.52 -1.26 -2.48 118.95 120.60 1bld s ARG 90 Ca 0.00 0.51 -0.17 0.00 -0.52 0.00 0.00 55.73 55.55 1bld s ARG 90 Cb 0.00 -3.69 -0.05 0.00 0.52 0.00 0.00 34.95 31.73 1bld s ARG 90 CO 0.00 -0.53 0.45 -0.51 0.02 0.00 0.00 175.30 174.73 1bld s LEU 91 N 2.66 4.32 0.00 2.53 1.02 -1.26 -1.97 118.68 125.98 1bld s LEU 91 Ca 0.28 0.83 0.00 0.00 0.02 0.00 0.00 54.13 55.26 1bld s LEU 91 Cb -0.15 -2.66 -0.00 0.00 0.02 0.00 0.00 46.19 43.40 1bld s LEU 91 CO 0.10 0.08 0.02 0.00 0.02 0.00 0.00 176.35 176.57 1bld n LEU 92 N 3.26 0.00 -3.97 1.79 -0.00 -0.74 -4.38 117.00 112.96 1bld n LEU 92 Ca -0.09 -0.14 -0.09 0.00 -0.00 0.00 0.00 56.01 55.69 1bld n LEU 92 Cb 0.52 0.11 -0.11 0.00 -0.00 0.00 0.00 43.42 43.94 1bld n LEU 92 CO 0.42 -0.03 -0.32 0.00 -0.00 0.00 0.00 177.39 177.46 1bld s ALA 93 N -1.75 0.09 0.22 1.47 0.00 -1.17 -1.09 121.76 119.52 1bld s ALA 93 Ca 0.02 -0.61 -0.06 0.00 0.00 0.00 0.00 51.96 51.31 1bld s ALA 93 Cb -0.00 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 1bld s ALA 93 CO 0.01 -0.21 0.29 -1.12 0.00 0.00 0.00 175.76 174.73 1bld s SER 94 N -1.70 0.05 0.25 0.00 0.01 -1.03 -4.81 113.70 106.47 1bld s SER 94 Ca -0.12 -1.18 0.18 0.00 1.31 0.00 0.00 55.95 56.14 1bld s SER 94 Cb -0.07 0.48 0.06 0.00 0.21 0.00 0.00 66.02 66.70 1bld s SER 94 CO -0.02 -0.98 1.27 0.11 0.41 0.00 0.00 173.24 174.03 1bld h LYS 95 N 2.45 0.00 -5.94 12.44 1.57 -1.88 0.35 116.57 125.55 1bld h LYS 95 Ca -0.31 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.87 1bld h LYS 95 Cb 1.25 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.50 1bld h LYS 95 CO 0.45 0.27 -0.17 0.45 -0.57 0.00 0.00 179.45 179.89 1bld s SER 96 N -6.08 6.79 -0.86 0.86 0.15 -1.26 -4.73 113.70 108.56 1bld s SER 96 Ca 0.02 0.94 -0.24 0.00 0.70 0.00 0.00 55.95 57.38 1bld s SER 96 Cb 0.08 -2.27 0.06 0.00 -1.71 0.00 0.00 66.02 62.17 1bld s SER 96 CO 0.75 0.22 1.28 -0.69 1.20 0.00 0.00 173.24 176.00 1bld s VAL 97 N -0.53 4.02 0.62 4.45 1.01 -1.26 -4.81 120.40 123.90 1bld s VAL 97 Ca 0.25 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.70 1bld s VAL 97 Cb -0.16 -4.92 0.15 0.00 0.00 0.00 0.00 36.38 31.44 1bld s VAL 97 CO 0.13 -1.79 0.73 0.35 0.00 0.00 0.00 175.10 174.52 1bld n THR 98 N 6.39 0.00 0.90 3.92 -2.24 -1.26 -4.93 114.28 117.07 1bld n THR 98 Ca 0.16 -0.47 0.14 0.00 -2.27 0.00 0.00 64.05 61.61 1bld n THR 98 Cb 0.49 -1.51 0.56 0.00 -2.10 0.00 0.00 70.33 67.77 1bld n THR 98 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bld n ASP 99 N -3.71 0.21 -0.91 3.42 5.75 -1.26 -2.95 116.55 117.11 1bld n ASP 99 Ca 0.09 0.52 0.09 0.00 -0.01 0.00 0.00 54.79 55.48 1bld n ASP 99 Cb 0.34 -0.57 0.24 0.00 -1.03 0.00 0.00 41.12 40.09 1bld n ASP 99 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1bld n GLU 100 N -1.70 2.14 0.00 0.11 1.02 -1.26 -3.85 120.64 117.10 1bld n GLU 100 Ca 0.07 -1.77 0.13 0.00 -0.02 0.00 0.00 57.16 55.57 1bld n GLU 100 Cb 0.36 -1.40 0.33 0.00 -0.02 0.00 0.00 31.44 30.72 1bld n GLU 100 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bld s PHE 102 N -2.03 3.47 -0.11 0.00 0.40 -1.25 -4.53 117.98 113.93 1bld s PHE 102 Ca 0.33 0.56 -0.08 0.00 -0.60 0.00 0.00 56.93 57.14 1bld s PHE 102 Cb 0.20 -2.02 0.04 0.00 0.51 0.00 0.00 43.02 41.76 1bld s PHE 102 CO 0.34 0.38 0.28 -0.06 0.70 0.00 0.00 175.22 176.85 1bld s PHE 103 N -1.75 -0.34 0.60 0.36 0.40 -1.26 -3.38 117.98 112.61 1bld s PHE 103 Ca 0.42 0.81 -0.12 0.00 -0.60 0.00 0.00 56.93 57.44 1bld s PHE 103 Cb -0.12 0.10 -0.04 0.00 0.51 0.00 0.00 43.02 43.47 1bld s PHE 103 CO 0.25 -0.20 1.02 -0.06 0.70 0.00 0.00 175.22 176.93 1bld s PHE 104 N 0.74 3.61 -0.02 0.36 0.08 -0.80 -3.44 117.98 118.50 1bld s PHE 104 Ca -0.05 1.30 0.06 0.00 0.12 0.00 0.00 56.93 58.37 1bld s PHE 104 Cb -0.06 -2.72 -0.02 0.00 -0.57 0.00 0.00 43.02 39.65 1bld s PHE 104 CO -0.05 -0.64 -0.21 -2.00 -0.10 0.00 0.00 175.22 172.22 1bld s GLU 105 N -5.04 1.73 -0.42 0.44 2.12 -1.26 -2.33 118.70 113.94 1bld s GLU 105 Ca 0.55 -0.76 0.05 0.00 0.36 0.00 0.00 54.97 55.18 1bld s GLU 105 Cb -0.11 -1.67 0.19 0.00 0.26 0.00 0.00 34.13 32.80 1bld s GLU 105 CO 0.51 0.45 0.39 -2.13 -0.54 0.00 0.00 175.26 173.94 1bld n ARG 106 N 2.58 0.37 -1.45 4.30 0.63 -0.88 -5.01 116.66 117.20 1bld n ARG 106 Ca -0.15 -3.24 -0.36 0.00 -0.92 0.00 0.00 57.85 53.18 1bld n ARG 106 Cb 0.53 -1.60 0.07 0.00 0.45 0.00 0.00 32.46 31.91 1bld n ARG 106 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1bld n LEU 107 N 2.50 3.53 -4.41 6.15 7.94 -1.26 -3.89 117.00 127.56 1bld n LEU 107 Ca 0.28 0.71 -0.20 0.00 -1.11 0.00 0.00 56.01 55.69 1bld n LEU 107 Cb 0.49 -1.40 -0.10 0.00 0.53 0.00 0.00 43.42 42.94 1bld n LEU 107 CO 0.11 -2.01 -0.29 -1.61 -1.11 0.00 0.00 177.39 172.48 1bld s GLU 108 N -3.12 1.55 -1.13 1.96 2.02 -1.22 -4.97 118.70 113.79 1bld s GLU 108 Ca 0.74 -1.84 -0.08 0.00 0.02 0.00 0.00 54.97 53.82 1bld s GLU 108 Cb -0.37 -0.75 -0.11 0.00 0.10 0.00 0.00 34.13 33.00 1bld s GLU 108 CO 0.49 -0.17 2.79 -1.13 0.02 0.00 0.00 175.26 177.26 1bld n SER 109 N -0.59 6.96 -0.39 -0.19 3.41 -1.26 -3.42 113.62 118.14 1bld n SER 109 Ca -0.03 -2.46 0.00 0.00 -0.26 0.00 0.00 58.87 56.12 1bld n SER 109 Cb 0.66 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1bld n SER 109 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1bld n ASN 110 N 3.54 0.00 0.00 4.04 0.23 -1.26 -4.97 115.26 116.84 1bld n ASN 110 Ca 0.62 -1.18 0.00 0.00 -0.53 0.00 0.00 54.58 53.49 1bld n ASN 110 Cb 0.31 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 1bld n ASN 110 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1bld n ASN 111 N 0.00 0.00 -4.71 0.53 4.13 -1.22 -4.91 115.26 109.08 1bld n ASN 111 Ca 0.00 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.89 1bld n ASN 111 Cb 0.54 -1.42 -0.07 0.00 -1.54 0.00 0.00 39.78 37.28 1bld n ASN 111 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1bld s TYR 112 N -1.39 3.44 0.58 3.10 2.02 -1.26 -4.80 117.35 119.04 1bld s TYR 112 Ca 0.00 0.62 -0.00 0.00 -0.37 0.00 0.00 57.07 57.32 1bld s TYR 112 Cb 0.00 -2.41 0.04 0.00 -0.40 0.00 0.00 41.96 39.19 1bld s TYR 112 CO 0.00 0.16 0.82 -0.80 -1.57 0.00 0.00 175.55 174.16 1bld s ASN 113 N 0.66 5.17 -0.18 2.29 -0.87 -0.14 -3.43 114.94 118.44 1bld s ASN 113 Ca 0.18 0.06 -0.04 0.00 -1.57 0.00 0.00 52.86 51.49 1bld s ASN 113 Cb -0.14 -0.89 0.08 0.00 -0.02 0.00 0.00 41.25 40.28 1bld s ASN 113 CO 0.06 -1.24 0.20 0.42 -2.57 0.00 0.00 177.10 173.96 1bld s THR 114 N -2.86 -0.29 -0.22 1.60 -4.23 -1.25 -2.31 115.64 106.09 1bld s THR 114 Ca 0.58 -0.04 -0.09 0.00 -1.18 0.00 0.00 61.69 60.96 1bld s THR 114 Cb -0.10 -0.60 -0.04 0.00 1.34 0.00 0.00 72.50 73.09 1bld s THR 114 CO 0.40 -0.15 0.11 -0.31 -0.54 0.00 0.00 174.62 174.12 1bld s TYR 115 N 2.30 3.27 0.23 3.99 2.02 -1.26 -2.07 117.35 125.83 1bld s TYR 115 Ca 0.05 0.10 0.10 0.00 -0.37 0.00 0.00 57.07 56.95 1bld s TYR 115 Cb -0.15 -2.18 -0.04 0.00 -0.40 0.00 0.00 41.96 39.18 1bld s TYR 115 CO -0.11 0.07 -0.12 -0.98 -1.57 0.00 0.00 175.55 172.84 1bld s ARG 116 N 0.81 1.95 0.86 -0.62 1.70 -0.99 -2.63 118.95 120.03 1bld s ARG 116 Ca 0.06 -1.46 -0.10 0.00 -0.47 0.00 0.00 55.73 53.75 1bld s ARG 116 Cb -0.13 -2.02 0.11 0.00 -0.57 0.00 0.00 34.95 32.34 1bld s ARG 116 CO 0.02 0.39 1.12 0.45 -1.08 0.00 0.00 175.30 176.19 1bld s SER 117 N -3.19 3.58 0.00 -2.89 0.15 -1.09 -1.91 113.70 108.36 1bld s SER 117 Ca 0.27 1.97 0.00 0.00 0.70 0.00 0.00 55.95 58.89 1bld s SER 117 Cb -0.07 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1bld s SER 117 CO 0.16 -2.65 0.00 -1.14 1.20 0.00 0.00 173.24 170.81 1bld n ARG 118 N -3.92 0.00 0.00 5.44 0.63 -1.22 -2.97 116.66 114.62 1bld n ARG 118 Ca 0.10 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 1bld n ARG 118 Cb 0.53 -0.53 0.00 0.00 0.45 0.00 0.00 32.46 32.90 1bld n ARG 118 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1bld n LYS 119 N -1.78 0.00 -3.03 -0.14 3.00 -1.26 -2.31 118.16 112.64 1bld n LYS 119 Ca 0.00 0.44 -0.18 0.00 -0.00 0.00 0.00 58.31 58.57 1bld n LYS 119 Cb 0.00 -1.55 -0.02 0.00 0.00 0.00 0.00 35.03 33.46 1bld n LYS 119 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1bld n TYR 120 N -1.44 1.03 0.13 5.64 4.01 -1.26 -4.90 117.16 120.37 1bld n TYR 120 Ca 0.00 -3.63 0.01 0.00 -0.16 0.00 0.00 57.90 54.12 1bld n TYR 120 Cb 0.05 -0.41 0.05 0.00 -0.31 0.00 0.00 39.34 38.72 1bld n TYR 120 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1bld n THR 121 N 0.11 0.00 0.70 -0.72 -2.24 -0.98 -1.49 114.28 109.66 1bld n THR 121 Ca 0.23 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.07 1bld n THR 121 Cb 0.65 -0.90 0.17 0.00 -2.10 0.00 0.00 70.33 68.16 1bld n THR 121 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1bld n SER 122 N -0.93 2.20 -3.74 3.42 7.64 -1.26 -4.80 113.62 116.15 1bld n SER 122 Ca 0.01 -2.07 -0.12 0.00 1.01 0.00 0.00 58.87 57.70 1bld n SER 122 Cb 0.01 -0.30 -0.13 0.00 -1.01 0.00 0.00 64.21 62.78 1bld n SER 122 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1bld s TRP 123 N -1.56 -0.33 0.14 1.43 0.51 -0.56 -5.01 118.94 113.56 1bld s TRP 123 Ca 0.25 0.78 0.00 0.00 -2.12 0.00 0.00 56.10 55.02 1bld s TRP 123 Cb 0.14 0.07 -0.04 0.00 -0.81 0.00 0.00 33.47 32.83 1bld s TRP 123 CO 0.16 -0.21 0.30 0.71 -0.51 0.00 0.00 176.95 177.40 1bld s TYR 124 N 0.96 3.49 0.15 -1.98 1.51 -1.26 -2.66 117.35 117.56 1bld s TYR 124 Ca -0.07 0.26 -0.30 0.00 -1.01 0.00 0.00 57.07 55.95 1bld s TYR 124 Cb -0.08 -1.78 -0.07 0.00 -0.11 0.00 0.00 41.96 39.92 1bld s TYR 124 CO -0.06 0.49 1.14 0.08 -1.11 0.00 0.00 175.55 176.08 1bld s VAL 125 N -1.71 3.87 0.28 0.71 1.01 -1.08 -4.74 120.40 118.74 1bld s VAL 125 Ca 0.36 1.53 -0.14 0.00 0.00 0.00 0.00 61.98 63.73 1bld s VAL 125 Cb -0.12 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.29 1bld s VAL 125 CO 0.28 0.22 0.57 0.00 0.00 0.00 0.00 175.10 176.17 1bld s ALA 126 N 0.13 -0.47 0.31 5.51 0.00 -1.26 -4.36 121.76 121.63 1bld s ALA 126 Ca 0.52 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.74 1bld s ALA 126 Cb -0.30 0.99 -0.05 0.00 0.00 0.00 0.00 23.12 23.76 1bld s ALA 126 CO 0.34 -0.91 0.10 -0.51 0.00 0.00 0.00 175.76 174.78 1bld s LEU 127 N -3.01 1.84 0.00 0.00 1.43 -1.26 -3.40 118.68 114.27 1bld s LEU 127 Ca 0.19 -1.46 0.00 0.00 -1.03 0.00 0.00 54.13 51.84 1bld s LEU 127 Cb -0.02 -0.07 0.00 0.00 0.03 0.00 0.00 46.19 46.12 1bld s LEU 127 CO 0.10 -0.76 0.00 0.29 0.23 0.00 0.00 176.35 176.21 1bld n LYS 128 N -0.61 1.85 0.01 1.70 5.02 -0.75 -4.57 118.16 120.80 1bld n LYS 128 Ca -0.01 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.29 1bld n LYS 128 Cb 0.66 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.56 1bld n LYS 128 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1bld n ARG 129 N -0.35 0.64 0.00 1.97 1.85 -1.26 -3.88 116.66 115.63 1bld n ARG 129 Ca 0.00 0.09 0.14 0.00 -1.00 0.00 0.00 57.85 57.08 1bld n ARG 129 Cb 0.00 -1.70 0.78 0.00 -1.05 0.00 0.00 32.46 30.49 1bld n ARG 129 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 1bld n THR 130 N -2.73 0.04 -0.40 8.89 5.66 -1.26 -4.82 114.28 119.66 1bld n THR 130 Ca -0.12 0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 1bld n THR 130 Cb 0.82 -0.58 0.00 0.00 -1.55 0.00 0.00 70.33 69.02 1bld n THR 130 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bld n GLY 131 N 0.77 0.72 3.96 1.09 0.00 -1.25 -5.01 105.19 105.47 1bld n GLY 131 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1bld n GLY 131 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bld s GLN 132 N -0.60 0.92 -0.26 1.61 1.11 -1.26 0.13 119.66 121.31 1bld s GLN 132 Ca 0.00 -0.78 -0.16 0.00 0.01 0.00 0.00 55.36 54.42 1bld s GLN 132 Cb 0.00 -2.04 -0.03 0.00 -1.01 0.00 0.00 33.01 29.93 1bld s GLN 132 CO 0.00 -2.11 0.44 1.52 0.01 0.00 0.00 175.29 175.14 1bld s TYR 133 N -3.62 3.27 0.28 0.91 1.13 -1.26 -1.82 117.35 116.25 1bld s TYR 133 Ca 0.72 0.53 -0.29 0.00 -1.41 0.00 0.00 57.07 56.62 1bld s TYR 133 Cb -0.03 -2.63 -0.10 0.00 -1.10 0.00 0.00 41.96 38.10 1bld s TYR 133 CO 0.50 -0.22 1.25 0.21 -2.51 0.00 0.00 175.55 174.78 1bld s LYS 134 N 2.06 4.45 0.34 -3.49 2.20 -1.22 -4.78 119.74 119.30 1bld s LYS 134 Ca 0.18 2.06 -0.25 0.00 -0.36 0.00 0.00 55.97 57.59 1bld s LYS 134 Cb -0.16 -3.13 -0.13 0.00 -1.51 0.00 0.00 37.83 32.90 1bld s LYS 134 CO 0.09 -0.09 0.77 -0.11 -0.36 0.00 0.00 175.35 175.66 1bld n LEU 135 N 1.35 0.83 -0.47 5.43 7.94 -1.26 -4.73 117.00 126.08 1bld n LEU 135 Ca 0.01 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.97 1bld n LEU 135 Cb 0.43 -1.19 0.00 0.00 0.53 0.00 0.00 43.42 43.19 1bld n LEU 135 CO 0.57 -2.17 0.17 0.61 -1.11 0.00 0.00 177.39 175.47 1bld n GLY 136 N 1.53 0.86 0.02 -3.96 0.00 -1.03 -2.54 105.19 100.07 1bld n GLY 136 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 1bld n GLY 136 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bld n SER 137 N 0.13 3.80 -0.24 1.61 3.41 -1.26 -4.55 113.62 116.50 1bld n SER 137 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 1bld n SER 137 Cb 0.15 0.81 0.39 0.00 -0.26 0.00 0.00 64.21 65.29 1bld n SER 137 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bld n LYS 138 N -2.03 0.85 -2.29 4.33 5.02 -1.05 -4.88 118.16 118.10 1bld n LYS 138 Ca -0.06 -0.49 -0.41 0.00 -2.02 0.00 0.00 58.31 55.33 1bld n LYS 138 Cb 0.50 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.99 1bld n LYS 138 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1bld s THR 139 N -2.49 3.30 -0.01 -0.18 -4.23 -1.24 -4.97 115.64 105.82 1bld s THR 139 Ca 0.25 1.13 -0.28 0.00 -1.18 0.00 0.00 61.69 61.61 1bld s THR 139 Cb 0.19 -3.72 0.09 0.00 1.34 0.00 0.00 72.50 70.40 1bld s THR 139 CO 0.52 0.20 1.28 -0.83 -0.54 0.00 0.00 174.62 175.24 1bld s GLY 140 N 0.03 -0.11 1.44 3.99 0.00 -1.26 -4.51 107.32 106.89 1bld s GLY 140 Ca 0.53 0.01 -0.23 0.00 0.00 0.00 0.00 44.72 45.03 1bld s GLY 140 CO 0.40 5.67 0.92 2.56 0.00 0.00 0.00 173.10 182.65 1bld s PRO 141 N -2.03 -3.10 0.00 2.90 0.04 -1.26 -3.35 135.00 128.21 1bld s PRO 141 Ca 0.30 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.45 1bld s PRO 141 Cb -0.01 -1.36 0.00 0.00 0.04 0.00 0.00 34.50 33.17 1bld s PRO 141 CO -0.00 -4.98 0.00 0.41 0.04 0.00 0.00 177.00 172.47 1bld n GLY 142 N 1.48 1.89 3.77 0.56 0.00 -1.26 -4.92 105.19 106.70 1bld n GLY 142 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1bld n GLY 142 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bld s GLN 143 N 0.00 4.18 0.00 1.61 -0.21 -1.21 -4.94 119.66 119.09 1bld s GLN 143 Ca 0.00 0.43 0.26 0.00 0.02 0.00 0.00 55.36 56.07 1bld s GLN 143 Cb 0.00 -3.35 1.23 0.00 1.00 0.00 0.00 33.01 31.89 1bld s GLN 143 CO 0.00 0.38 1.83 1.63 -2.12 0.00 0.00 175.29 177.01 1bld n LYS 144 N 2.90 1.36 0.05 2.91 4.01 -1.26 -3.77 118.16 124.36 1bld n LYS 144 Ca -0.10 -0.52 0.05 0.00 -0.51 0.00 0.00 58.31 57.22 1bld n LYS 144 Cb 0.52 -1.43 0.24 0.00 -0.51 0.00 0.00 35.03 33.85 1bld n LYS 144 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bld n ALA 145 N -0.32 1.17 1.27 7.82 0.00 -1.26 -0.32 120.51 128.86 1bld n ALA 145 Ca 0.19 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.81 1bld n ALA 145 Cb 0.22 -1.15 0.34 0.00 0.00 0.00 0.00 19.45 18.86 1bld n ALA 145 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1bld n ILE 146 N -1.75 0.00 -2.90 0.00 -5.35 -1.25 -4.40 119.36 103.72 1bld n ILE 146 Ca 0.00 -0.23 -0.44 0.00 -0.27 0.00 0.00 62.75 61.82 1bld n ILE 146 Cb 0.05 0.67 -0.02 0.00 -1.74 0.00 0.00 39.64 38.61 1bld n ILE 146 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1bld s LEU 147 N -2.28 4.91 0.49 7.28 1.43 0.56 -4.37 118.68 126.70 1bld s LEU 147 Ca 0.28 -2.30 -0.01 0.00 -1.03 0.00 0.00 54.13 51.07 1bld s LEU 147 Cb 0.20 -2.42 -0.00 0.00 0.03 0.00 0.00 46.19 44.00 1bld s LEU 147 CO 0.44 -1.00 0.73 -0.36 0.23 0.00 0.00 176.35 176.39 1bld s PHE 148 N 2.56 3.24 -0.41 0.29 0.40 -0.98 -3.13 117.98 119.95 1bld s PHE 148 Ca 0.37 0.35 0.07 0.00 -0.60 0.00 0.00 56.93 57.13 1bld s PHE 148 Cb -0.04 -2.42 0.24 0.00 0.51 0.00 0.00 43.02 41.31 1bld s PHE 148 CO -0.06 -0.48 0.58 -0.11 0.70 0.00 0.00 175.22 175.85 1bld n LEU 149 N -2.21 -0.41 -4.60 -0.37 7.94 -0.70 -0.97 117.00 115.68 1bld n LEU 149 Ca 0.02 -4.43 -0.43 0.00 -1.11 0.00 0.00 56.01 50.06 1bld n LEU 149 Cb 0.58 0.67 -0.03 0.00 0.53 0.00 0.00 43.42 45.17 1bld n LEU 149 CO 0.49 2.05 1.72 -2.84 -1.11 0.00 0.00 177.39 177.70 1bld s PRO 150 N -0.80 3.21 -0.20 1.96 0.02 -1.26 -3.82 135.00 134.12 1bld s PRO 150 Ca 0.34 1.78 -0.12 0.00 0.02 0.00 0.00 61.00 63.02 1bld s PRO 150 Cb 0.17 -4.30 -0.05 0.00 0.02 0.00 0.00 34.50 30.34 1bld s PRO 150 CO -0.14 -2.01 0.22 -1.64 -0.33 0.00 0.00 177.00 173.11 1bld s MET 151 N 6.07 4.19 0.81 5.54 -1.94 -1.02 -4.90 119.30 128.05 1bld s MET 151 Ca 0.92 -0.07 -0.11 0.00 -1.71 0.00 0.00 55.69 54.72 1bld s MET 151 Cb -0.29 -3.46 0.08 0.00 2.01 0.00 0.00 34.83 33.17 1bld s MET 151 CO 0.34 0.19 1.10 0.45 -0.01 0.00 0.00 175.02 177.09 1bld s SER 152 N 0.63 4.18 -0.54 3.03 0.15 -1.26 -2.64 113.70 117.25 1bld s SER 152 Ca 0.12 1.83 0.06 0.00 0.70 0.00 0.00 55.95 58.67 1bld s SER 152 Cb -0.13 -2.49 0.23 0.00 -1.71 0.00 0.00 66.02 61.92 1bld s SER 152 CO 0.03 -2.25 0.58 0.00 1.20 0.00 0.00 173.24 172.80 1bld n ALA 153 N -3.66 3.29 0.01 5.45 0.00 -1.19 -4.90 120.51 119.51 1bld n ALA 153 Ca 0.09 -4.08 -0.00 0.00 0.00 0.00 0.00 53.44 49.44 1bld n ALA 153 Cb 0.53 -0.87 -0.00 0.00 0.00 0.00 0.00 19.45 19.11 1bld n ALA 153 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1bld h LYS 154 N 4.50 -0.03 0.00 0.00 1.57 -1.95 -3.45 116.57 117.21 1bld h LYS 154 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1bld h LYS 154 Cb 0.78 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1bld h LYS 154 CO 0.64 -0.02 0.00 -1.13 -0.57 0.00 0.00 179.45 178.37