#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 0.00 -0.50 3.04 0.00 -1.26 -5.12 120.51 116.67 1bld n ALA 2 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1bld n ALA 2 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 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 0.00 -2.23 0.00 0.00 1.02 -1.26 -5.03 120.64 113.14 1bld n GLU 3 Ca 0.00 -0.62 0.00 0.00 -0.02 0.00 0.00 57.16 56.52 1bld n GLU 3 Cb 0.00 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.24 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 0.95 0.07 0.00 0.62 0.00 -1.26 -4.89 105.19 100.69 1bld n GLY 4 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1bld n GLY 4 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bld n GLU 5 N -0.05 0.00 -3.02 1.61 -0.58 -1.26 -4.76 120.64 112.58 1bld n GLU 5 Ca 0.00 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 1bld n GLU 5 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.82 1bld n GLU 5 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1bld s ILE 6 N 0.00 4.66 -0.84 -3.67 -1.09 -1.26 -4.95 121.20 114.05 1bld s ILE 6 Ca 0.00 -0.20 -0.25 0.00 -2.23 0.00 0.00 60.65 57.98 1bld s ILE 6 Cb 0.00 -4.41 -0.19 0.00 -1.58 0.00 0.00 42.46 36.28 1bld s ILE 6 CO 0.00 -0.95 2.48 0.41 -1.23 0.00 0.00 174.94 175.64 1bld n THR 7 N 5.85 -0.02 -2.54 2.92 -1.04 -1.26 -4.78 114.28 113.41 1bld n THR 7 Ca -0.03 -0.38 -0.41 0.00 -2.04 0.00 0.00 64.05 61.19 1bld n THR 7 Cb 0.46 -1.21 -0.02 0.00 -1.82 0.00 0.00 70.33 67.74 1bld n THR 7 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1bld s THR 8 N 8.85 3.95 0.36 12.58 -4.23 -1.26 -4.98 115.64 130.90 1bld s THR 8 Ca 1.19 -1.05 -0.16 0.00 -1.18 0.00 0.00 61.69 60.49 1bld s THR 8 Cb -0.74 -5.05 -0.09 0.00 1.34 0.00 0.00 72.50 67.96 1bld s THR 8 CO 0.39 -1.91 0.79 -0.76 -0.54 0.00 0.00 174.62 172.59 1bld s LEU 9 N 5.09 4.00 -0.85 4.79 1.43 -1.26 -4.90 118.68 126.98 1bld s LEU 9 Ca 0.49 1.36 -0.23 0.00 -1.03 0.00 0.00 54.13 54.72 1bld s LEU 9 Cb 0.01 -4.18 -0.18 0.00 0.03 0.00 0.00 46.19 41.87 1bld s LEU 9 CO -0.04 -0.27 2.27 -0.81 0.23 0.00 0.00 176.35 177.73 1bld n PRO 10 N -0.55 0.37 0.00 1.29 -0.04 -1.26 -4.30 135.00 130.51 1bld n PRO 10 Ca 0.04 -0.89 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 1bld n PRO 10 Cb 0.53 -3.31 0.00 0.00 -0.04 0.00 0.00 33.50 30.68 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 16.85 0.00 -2.65 0.55 0.00 -1.26 -5.17 120.51 128.82 1bld n ALA 11 Ca 0.47 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.70 1bld n ALA 11 Cb 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.84 1bld n ALA 11 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1bld s LEU 12 N 0.00 4.03 -0.49 0.00 0.05 -1.26 -4.99 118.68 116.01 1bld s LEU 12 Ca 0.00 -0.15 -0.27 0.00 0.05 0.00 0.00 54.13 53.76 1bld s LEU 12 Cb 0.00 -2.69 -0.08 0.00 -2.05 0.00 0.00 46.19 41.37 1bld s LEU 12 CO 0.00 -0.28 2.41 -0.81 -0.55 0.00 0.00 176.35 177.12 1bld n PRO 13 N -1.51 1.07 -2.70 1.48 -0.04 -1.26 -4.68 135.00 127.36 1bld n PRO 13 Ca -0.04 0.06 -0.07 0.00 -0.04 0.00 0.00 63.50 63.41 1bld n PRO 13 Cb 0.58 -3.28 0.10 0.00 -0.04 0.00 0.00 33.50 30.86 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 8.93 1.03 -0.07 0.54 2.13 -1.26 -4.97 120.64 126.97 1bld n GLU 14 Ca 0.38 -1.67 -0.11 0.00 0.66 0.00 0.00 57.16 56.42 1bld n GLU 14 Cb 0.49 -0.18 -0.15 0.00 0.27 0.00 0.00 31.44 31.87 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 -0.43 0.59 -4.44 4.31 2.03 -1.26 -4.67 116.55 112.69 1bld n ASP 15 Ca -0.05 0.13 -0.44 0.00 0.52 0.00 0.00 54.79 54.95 1bld n ASP 15 Cb 0.80 0.42 -0.02 0.00 -0.72 0.00 0.00 41.12 41.61 1bld n ASP 15 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1bld s GLY 16 N -5.47 2.18 0.02 0.27 0.00 -1.26 -4.96 107.32 98.09 1bld s GLY 16 Ca -0.11 -3.03 -0.09 0.00 0.00 0.00 0.00 44.72 41.49 1bld s GLY 16 CO 0.80 1.95 0.18 -0.32 0.00 0.00 0.00 173.10 175.71 1bld s GLY 17 N 3.20 0.02 -0.33 0.20 0.00 -1.26 -4.98 107.32 104.17 1bld s GLY 17 Ca 0.35 -0.15 -0.06 0.00 0.00 0.00 0.00 44.72 44.86 1bld s GLY 17 CO -0.06 -0.31 3.16 -1.26 0.00 0.00 0.00 173.10 174.63 1bld n SER 18 N 1.10 5.37 -0.80 1.64 2.88 -1.26 -4.51 113.62 118.05 1bld n SER 18 Ca -0.21 -2.40 -0.10 0.00 -1.33 0.00 0.00 58.87 54.82 1bld n SER 18 Cb 0.57 -1.30 -0.04 0.00 -0.75 0.00 0.00 64.21 62.68 1bld n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bld n GLY 19 N 2.80 1.00 0.00 0.46 0.00 -1.26 -4.73 105.19 103.45 1bld n GLY 19 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 1.19 0.00 -2.72 4.61 0.00 -1.26 -5.11 120.51 117.23 1bld n ALA 20 Ca -0.10 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.27 1bld n ALA 20 Cb 0.59 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.11 1bld n ALA 20 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1bld n PHE 21 N 0.00 -2.34 -0.69 0.00 -1.74 -1.26 -4.98 117.46 106.45 1bld n PHE 21 Ca 0.00 -1.50 -0.29 0.00 -0.56 0.00 0.00 57.45 55.10 1bld n PHE 21 Cb 0.00 1.44 0.23 0.00 1.52 0.00 0.00 39.48 42.67 1bld n PHE 21 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1bld s PRO 22 N 0.41 -0.39 0.25 3.97 0.05 -1.26 -4.90 135.00 133.13 1bld s PRO 22 Ca 0.27 0.88 -0.31 0.00 0.05 0.00 0.00 61.00 61.89 1bld s PRO 22 Cb 0.24 -1.61 -0.12 0.00 0.05 0.00 0.00 34.50 33.06 1bld s PRO 22 CO -0.17 -3.38 1.55 -2.30 0.05 0.00 0.00 177.00 172.75 1bld n PRO 23 N -4.68 2.44 0.00 0.56 -0.01 -1.26 -4.57 135.00 127.47 1bld n PRO 23 Ca 0.05 0.87 0.00 0.00 -0.01 0.00 0.00 63.50 64.41 1bld n PRO 23 Cb 0.54 -2.62 0.00 0.00 -0.01 0.00 0.00 33.50 31.41 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 2.54 0.00 2.66 -1.23 0.00 -1.26 -5.07 105.19 102.84 1bld n GLY 24 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.17 -1.52 1.61 8.25 -1.26 -4.92 115.22 115.21 1bld n HIS 25 Ca 0.00 -2.28 0.00 0.00 -0.26 0.00 0.00 57.72 55.18 1bld n HIS 25 Cb 0.00 1.29 0.00 0.00 1.12 0.00 0.00 29.99 32.40 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 0.01 0.00 0.37 4.41 3.01 -1.26 -4.80 117.46 119.20 1bld n PHE 26 Ca 0.05 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.63 1bld n PHE 26 Cb 0.75 -0.02 0.02 0.00 -0.01 0.00 0.00 39.48 40.23 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 0.00 0.42 -4.29 -1.08 4.81 -1.26 -4.62 118.16 112.14 1bld n LYS 27 Ca 0.00 0.03 -0.28 0.00 -0.87 0.00 0.00 58.31 57.19 1bld n LYS 27 Cb 0.59 -1.67 -0.10 0.00 0.02 0.00 0.00 35.03 33.87 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 -4.47 4.15 1.14 3.14 1.01 -1.26 -5.07 116.67 115.31 1bld s ASP 28 Ca 0.02 -0.56 -0.15 0.00 0.71 0.00 0.00 52.55 52.57 1bld s ASP 28 Cb 0.13 -0.68 0.21 0.00 1.01 0.00 0.00 42.92 43.59 1bld s ASP 28 CO 0.80 0.13 0.62 -2.65 0.21 0.00 0.00 175.17 174.28 1bld n PRO 29 N 0.34 -2.03 -3.73 8.23 -0.01 -1.26 -4.64 135.00 131.89 1bld n PRO 29 Ca -0.12 -0.57 -0.13 0.00 -0.01 0.00 0.00 63.50 62.67 1bld n PRO 29 Cb 0.54 -1.99 -0.14 0.00 -0.01 0.00 0.00 33.50 31.90 1bld n PRO 29 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 175.50 175.64 1bld s LYS 30 N -4.02 0.13 -0.27 -0.52 1.02 -0.78 -3.00 119.74 112.30 1bld s LYS 30 Ca 0.63 0.47 -0.24 0.00 0.02 0.00 0.00 55.97 56.85 1bld s LYS 30 Cb -0.20 -0.16 -0.00 0.00 -0.52 0.00 0.00 37.83 36.95 1bld s LYS 30 CO 0.65 -0.18 0.82 1.03 -0.92 0.00 0.00 175.35 176.76 1bld s ARG 31 N 1.36 4.10 -0.72 1.68 0.52 -0.88 -4.00 118.95 121.00 1bld s ARG 31 Ca -0.08 0.82 -0.24 0.00 -0.52 0.00 0.00 55.73 55.71 1bld s ARG 31 Cb -0.11 -3.68 0.06 0.00 0.52 0.00 0.00 34.95 31.74 1bld s ARG 31 CO -0.07 -0.59 1.11 -0.51 0.02 0.00 0.00 175.30 175.26 1bld s LEU 32 N 2.92 3.94 -0.24 2.53 1.43 -1.26 -2.01 118.68 125.99 1bld s LEU 32 Ca 0.34 -0.89 -0.15 0.00 -1.03 0.00 0.00 54.13 52.40 1bld s LEU 32 Cb -0.15 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 1bld s LEU 32 CO 0.10 -1.56 0.39 -0.47 0.23 0.00 0.00 176.35 175.03 1bld s TYR 33 N 4.63 3.30 -0.07 0.29 5.04 -1.24 -1.84 117.35 127.46 1bld s TYR 33 Ca 0.29 0.50 -0.21 0.00 -2.44 0.00 0.00 57.07 55.22 1bld s TYR 33 Cb -0.12 -2.56 -0.04 0.00 0.35 0.00 0.00 41.96 39.59 1bld s TYR 33 CO 0.10 -0.14 0.58 0.00 -1.34 0.00 0.00 175.55 174.75 1bld h LYS 35 N 6.41 0.00 -6.30 0.00 3.11 -1.85 -2.56 116.57 115.38 1bld h LYS 35 Ca -0.42 0.00 -0.57 0.00 -2.81 0.00 0.00 60.65 56.85 1bld h LYS 35 Cb 1.19 0.00 -0.09 0.00 -1.00 0.00 0.00 32.23 32.33 1bld h LYS 35 CO 0.74 0.00 0.85 -0.80 -2.81 0.00 0.00 179.45 177.43 1bld s ASN 36 N -5.66 6.37 0.00 4.20 -0.87 -1.26 -3.38 114.94 114.34 1bld s ASN 36 Ca 0.06 -0.13 0.00 0.00 -1.57 0.00 0.00 52.86 51.21 1bld s ASN 36 Cb 0.08 -2.52 0.00 0.00 -0.02 0.00 0.00 41.25 38.79 1bld s ASN 36 CO 0.60 -1.45 0.00 0.61 -2.57 0.00 0.00 177.10 174.29 1bld n GLY 37 N 5.13 0.71 3.14 0.66 0.00 -1.26 -4.32 105.19 109.24 1bld n GLY 37 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.38 -0.99 2.95 -0.02 0.00 -1.17 -5.01 105.19 98.57 1bld n GLY 38 Ca 0.00 0.80 -0.13 0.00 0.00 0.00 0.00 46.02 46.69 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 -1.67 -0.13 -0.21 1.61 0.08 -0.97 -4.69 117.98 112.00 1bld s PHE 39 Ca 0.20 0.38 -0.14 0.00 0.12 0.00 0.00 56.93 57.49 1bld s PHE 39 Cb -0.03 -0.03 -0.04 0.00 -0.57 0.00 0.00 43.02 42.34 1bld s PHE 39 CO 0.63 -0.11 0.29 -0.06 -0.10 0.00 0.00 175.22 175.87 1bld s PHE 40 N 0.62 3.37 0.56 0.36 0.40 -1.03 -0.30 117.98 121.96 1bld s PHE 40 Ca -0.05 0.48 -0.19 0.00 -0.60 0.00 0.00 56.93 56.57 1bld s PHE 40 Cb -0.06 -2.40 -0.08 0.00 0.51 0.00 0.00 43.02 40.99 1bld s PHE 40 CO -0.03 0.07 0.70 -0.11 0.70 0.00 0.00 175.22 176.56 1bld n LEU 41 N 4.21 1.84 -3.47 -0.37 7.94 -0.76 -2.31 117.00 124.09 1bld n LEU 41 Ca -0.11 0.79 -0.01 0.00 -1.11 0.00 0.00 56.01 55.56 1bld n LEU 41 Cb 0.52 -1.25 -0.04 0.00 0.53 0.00 0.00 43.42 43.17 1bld n LEU 41 CO 0.38 -2.55 0.17 -0.60 -1.11 0.00 0.00 177.39 173.69 1bld s ARG 42 N -2.29 0.52 -0.13 1.96 3.52 -0.42 -4.71 118.95 117.41 1bld s ARG 42 Ca 0.71 1.19 -0.18 0.00 -0.13 0.00 0.00 55.73 57.31 1bld s ARG 42 Cb -0.45 0.60 -0.04 0.00 -1.56 0.00 0.00 34.95 33.50 1bld s ARG 42 CO 0.52 -0.38 0.48 0.42 -0.81 0.00 0.00 175.30 175.54 1bld s ILE 43 N 2.82 5.17 0.29 4.11 1.01 -1.26 -2.53 121.20 130.81 1bld s ILE 43 Ca 0.05 0.95 -0.10 0.00 0.00 0.00 0.00 60.65 61.55 1bld s ILE 43 Cb -0.13 -3.82 -0.07 0.00 0.01 0.00 0.00 42.46 38.45 1bld s ILE 43 CO -0.19 0.30 0.62 -1.00 0.00 0.00 0.00 174.94 174.67 1bld s HIS 44 N 0.80 3.43 0.61 3.97 3.76 -0.89 -4.71 115.29 122.26 1bld s HIS 44 Ca 0.26 0.92 0.32 0.00 -0.15 0.00 0.00 55.06 56.41 1bld s HIS 44 Cb -0.15 -2.31 1.86 0.00 1.11 0.00 0.00 32.58 33.09 1bld s HIS 44 CO 0.10 0.16 2.19 -1.00 -0.85 0.00 0.00 174.74 175.34 1bld h PRO 45 N 2.12 0.00 0.00 8.40 0.13 -1.90 0.13 132.00 140.88 1bld h PRO 45 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 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 0.67 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.04 1bld n ASP 46 N -3.61 0.00 0.00 1.44 5.68 -1.26 -4.83 116.55 113.97 1bld n ASP 46 Ca -0.01 -0.93 0.00 0.00 -0.50 0.00 0.00 54.79 53.35 1bld n ASP 46 Cb 0.20 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 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 0.43 2.70 3.22 6.12 0.00 0.44 -5.02 105.19 113.09 1bld n GLY 47 Ca 0.13 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.40 -3.73 1.61 1.74 -1.26 -3.33 116.66 111.29 1bld n ARG 48 Ca 0.00 -0.10 -0.14 0.00 -0.77 0.00 0.00 57.85 56.84 1bld n ARG 48 Cb 0.00 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 29.81 1bld n ARG 48 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1bld s VAL 49 N -2.21 -0.09 0.00 1.55 1.01 -1.26 -2.10 120.40 117.30 1bld s VAL 49 Ca 0.49 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1bld s VAL 49 Cb -0.15 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1bld s VAL 49 CO 0.72 0.09 0.00 -0.90 0.00 0.00 0.00 175.10 175.00 1bld n ASP 50 N 4.40 0.00 -3.84 3.32 5.75 -1.05 -4.33 116.55 120.80 1bld n ASP 50 Ca -0.23 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.46 1bld n ASP 50 Cb 0.51 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.53 1bld n ASP 50 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1bld s GLY 51 N 0.00 0.05 -0.00 6.12 0.00 -1.26 -1.30 107.32 110.93 1bld s GLY 51 Ca 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 44.72 44.16 1bld s GLY 51 CO 0.00 -0.66 0.18 -1.34 0.00 0.00 0.00 173.10 171.27 1bld s VAL 52 N -3.45 0.07 -0.66 1.40 -7.23 -0.98 -4.85 120.40 104.71 1bld s VAL 52 Ca 0.02 -0.62 0.25 0.00 -1.81 0.00 0.00 61.98 59.82 1bld s VAL 52 Cb 0.03 -0.46 0.24 0.00 0.56 0.00 0.00 36.38 36.75 1bld s VAL 52 CO -0.09 -0.34 1.64 0.03 -0.31 0.00 0.00 175.10 176.04 1bld h ARG 53 N 4.26 0.00 -6.14 4.82 3.08 -1.89 -2.73 114.38 115.78 1bld h ARG 53 Ca -0.30 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.23 1bld h ARG 53 Cb 1.19 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.19 1bld h ARG 53 CO 0.40 0.00 1.23 -2.00 -1.07 0.00 0.00 179.97 178.53 1bld s GLU 54 N -3.14 2.87 -0.00 0.04 2.56 -1.26 -4.80 118.70 114.97 1bld s GLU 54 Ca 0.09 0.23 0.01 0.00 0.00 0.00 0.00 54.97 55.30 1bld s GLU 54 Cb 0.11 -4.31 0.02 0.00 2.00 0.00 0.00 34.13 31.95 1bld s GLU 54 CO 0.64 -2.49 0.91 0.36 -0.56 0.00 0.00 175.26 174.12 1bld n LYS 55 N 9.27 1.07 0.08 4.30 2.85 -1.26 -3.19 118.16 131.28 1bld n LYS 55 Ca 0.13 -0.09 0.11 0.00 -1.05 0.00 0.00 58.31 57.42 1bld n LYS 55 Cb 0.51 -1.13 -0.04 0.00 -0.65 0.00 0.00 35.03 33.72 1bld n LYS 55 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1bld n SER 56 N -0.33 0.66 -4.63 -5.58 2.88 -1.26 -3.98 113.62 101.38 1bld n SER 56 Ca 0.01 0.26 -0.42 0.00 -1.33 0.00 0.00 58.87 57.38 1bld n SER 56 Cb 0.08 0.79 -0.03 0.00 -0.75 0.00 0.00 64.21 64.29 1bld n SER 56 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1bld s ASP 57 N -5.18 5.94 0.00 -3.46 -1.08 -1.19 -4.78 116.67 106.91 1bld s ASP 57 Ca -0.02 2.29 0.03 0.00 -0.52 0.00 0.00 52.55 54.33 1bld s ASP 57 Cb 0.10 -2.52 0.18 0.00 -1.46 0.00 0.00 42.92 39.23 1bld s ASP 57 CO 0.82 -1.52 0.54 -0.81 0.52 0.00 0.00 175.17 174.72 1bld n PRO 58 N 8.17 0.15 0.04 4.34 -0.04 -1.26 -1.55 135.00 144.84 1bld n PRO 58 Ca 0.25 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.84 1bld n PRO 58 Cb 0.43 -1.33 0.35 0.00 -0.04 0.00 0.00 33.50 32.91 1bld n PRO 58 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1bld n HIS 59 N -0.83 0.34 1.94 0.54 8.25 -1.26 -3.43 115.22 120.77 1bld n HIS 59 Ca 0.02 0.10 0.01 0.00 -0.26 0.00 0.00 57.72 57.59 1bld n HIS 59 Cb 0.01 -0.56 0.07 0.00 1.12 0.00 0.00 29.99 30.62 1bld n HIS 59 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1bld n ILE 60 N -1.82 0.00 -3.05 1.59 -5.35 -0.60 -4.52 119.36 105.61 1bld n ILE 60 Ca 0.05 0.00 -0.44 0.00 -0.27 0.00 0.00 62.75 62.09 1bld n ILE 60 Cb 0.38 -0.05 -0.01 0.00 -1.74 0.00 0.00 39.64 38.22 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 -2.00 3.89 -0.05 6.28 -0.14 -1.22 -4.46 119.74 122.04 1bld s LYS 61 Ca 0.03 -2.41 -0.18 0.00 -1.36 0.00 0.00 55.97 52.06 1bld s LYS 61 Cb 0.02 -4.86 -0.05 0.00 -1.68 0.00 0.00 37.83 31.26 1bld s LYS 61 CO 0.03 -1.63 0.50 -0.51 -0.76 0.00 0.00 175.35 172.97 1bld s LEU 62 N 1.31 4.38 -0.44 3.17 1.43 -1.26 -2.98 118.68 124.29 1bld s LEU 62 Ca 0.35 0.97 -0.21 0.00 -1.03 0.00 0.00 54.13 54.21 1bld s LEU 62 Cb -0.05 -2.74 0.03 0.00 0.03 0.00 0.00 46.19 43.45 1bld s LEU 62 CO -0.05 0.13 0.65 -1.58 0.23 0.00 0.00 176.35 175.73 1bld s GLN 63 N -0.14 3.28 -0.35 1.70 0.74 0.21 -1.86 119.66 123.25 1bld s GLN 63 Ca 0.27 -0.38 -0.18 0.00 0.05 0.00 0.00 55.36 55.12 1bld s GLN 63 Cb -0.17 -3.96 -0.00 0.00 1.10 0.00 0.00 33.01 29.98 1bld s GLN 63 CO 0.13 -1.03 0.52 -0.51 -0.55 0.00 0.00 175.29 173.85 1bld s LEU 64 N 2.86 4.35 -0.05 3.68 1.02 -1.26 -1.45 118.68 127.82 1bld s LEU 64 Ca 0.23 -0.02 -0.06 0.00 0.02 0.00 0.00 54.13 54.29 1bld s LEU 64 Cb -0.14 -2.59 -0.04 0.00 0.02 0.00 0.00 46.19 43.43 1bld s LEU 64 CO 0.19 -0.49 0.20 -1.58 0.02 0.00 0.00 176.35 174.69 1bld s GLN 65 N 2.40 3.50 0.39 1.70 0.74 0.42 -4.69 119.66 124.13 1bld s GLN 65 Ca 0.19 -0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.46 1bld s GLN 65 Cb -0.15 -3.14 -0.02 0.00 1.10 0.00 0.00 33.01 30.79 1bld s GLN 65 CO 0.13 0.71 0.60 0.00 -0.55 0.00 0.00 175.29 176.19 1bld s ALA 66 N -1.18 3.71 0.00 1.58 0.00 -1.26 0.43 121.76 125.03 1bld s ALA 66 Ca 0.22 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1bld s ALA 66 Cb -0.13 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.85 1bld s ALA 66 CO 0.12 -0.16 0.00 -1.91 0.00 0.00 0.00 175.76 173.80 1bld n GLU 67 N -1.91 0.00 0.00 0.00 2.13 -0.82 -4.80 120.64 115.24 1bld n GLU 67 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1bld n GLU 67 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.28 1bld n GLU 67 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1bld n GLU 68 N 0.00 1.99 -3.01 5.31 1.02 -1.26 -4.90 120.64 119.79 1bld n GLU 68 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 1bld n GLU 68 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 1bld n GLU 68 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1bld s ARG 69 N 0.00 3.25 0.00 3.49 0.52 -1.26 -3.73 118.95 121.22 1bld s ARG 69 Ca 0.00 -0.52 0.00 0.00 -0.52 0.00 0.00 55.73 54.69 1bld s ARG 69 Cb 0.00 -4.05 0.00 0.00 0.52 0.00 0.00 34.95 31.42 1bld s ARG 69 CO 0.00 -1.28 0.00 0.41 0.02 0.00 0.00 175.30 174.45 1bld n GLY 70 N 5.12 0.90 3.76 -3.53 0.00 -1.26 -5.02 105.19 105.15 1bld n GLY 70 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.33 5.15 -0.04 1.61 1.01 -1.24 -2.52 120.40 122.03 1bld s VAL 71 Ca 0.00 0.87 -0.01 0.00 0.00 0.00 0.00 61.98 62.84 1bld s VAL 71 Cb 0.00 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.65 1bld s VAL 71 CO 0.00 0.41 0.07 0.68 0.00 0.00 0.00 175.10 176.26 1bld s VAL 72 N 0.06 -0.07 -0.22 2.92 -7.23 -1.26 -1.95 120.40 112.66 1bld s VAL 72 Ca 0.24 0.23 -0.17 0.00 -1.81 0.00 0.00 61.98 60.47 1bld s VAL 72 Cb -0.15 -0.14 -0.04 0.00 0.56 0.00 0.00 36.38 36.61 1bld s VAL 72 CO 0.10 0.09 0.44 -0.44 -0.31 0.00 0.00 175.10 174.99 1bld s SER 73 N 1.22 6.44 0.09 4.85 0.01 0.17 -3.56 113.70 122.92 1bld s SER 73 Ca -0.08 0.53 -0.17 0.00 1.31 0.00 0.00 55.95 57.53 1bld s SER 73 Cb -0.13 -2.25 -0.07 0.00 0.21 0.00 0.00 66.02 63.79 1bld s SER 73 CO -0.04 -0.14 0.55 -0.63 0.41 0.00 0.00 173.24 173.39 1bld s ILE 74 N 1.60 4.80 -0.03 1.44 1.01 -1.26 -0.43 121.20 128.32 1bld s ILE 74 Ca 0.20 1.07 -0.09 0.00 0.00 0.00 0.00 60.65 61.84 1bld s ILE 74 Cb -0.15 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.50 1bld s ILE 74 CO 0.09 0.46 0.20 -0.75 0.00 0.00 0.00 174.94 174.94 1bld s LYS 75 N -1.36 0.45 0.02 2.79 2.20 -0.53 -3.70 119.74 119.61 1bld s LYS 75 Ca 0.31 -0.13 -0.16 0.00 -0.36 0.00 0.00 55.97 55.63 1bld s LYS 75 Cb -0.18 0.19 -0.06 0.00 -1.51 0.00 0.00 37.83 36.28 1bld s LYS 75 CO 0.19 -0.10 0.47 0.20 -0.36 0.00 0.00 175.35 175.74 1bld s GLY 76 N -0.88 2.55 -0.08 5.54 0.00 -0.72 0.68 107.32 114.42 1bld s GLY 76 Ca -0.10 -0.13 -0.24 0.00 0.00 0.00 0.00 44.72 44.26 1bld s GLY 76 CO 0.02 0.28 0.86 -2.08 0.00 0.00 0.00 173.10 172.17 1bld h VAL 77 N 3.67 1.60 0.10 1.40 2.07 -1.87 -2.61 116.25 120.61 1bld h VAL 77 Ca -0.51 -2.47 -0.31 0.00 0.82 0.00 0.00 66.70 64.23 1bld h VAL 77 Cb 1.22 3.26 -0.02 0.00 -1.52 0.00 0.00 31.29 34.23 1bld h VAL 77 CO 0.63 0.68 -1.65 -1.28 0.02 0.00 0.00 177.57 175.97 1bld h SER 78 N -0.57 0.32 0.55 0.57 0.87 -1.86 -3.33 113.55 110.10 1bld h SER 78 Ca -0.10 -0.82 -0.02 0.00 -1.23 0.00 0.00 61.79 59.62 1bld h SER 78 Cb 1.44 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1bld h SER 78 CO 0.10 1.70 -0.11 0.00 -0.53 0.00 0.00 176.83 178.00 1bld h ALA 79 N -0.09 1.15 -6.29 6.23 0.00 -1.84 -3.46 119.26 114.95 1bld h ALA 79 Ca -0.37 -0.10 -0.46 0.00 0.00 0.00 0.00 54.91 53.99 1bld h ALA 79 Cb 1.79 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 1bld h ALA 79 CO 0.02 0.13 -0.85 0.09 0.00 0.00 0.00 179.25 178.64 1bld n ASN 80 N -3.43 -1.05 -3.79 0.00 3.02 -0.98 -4.89 115.26 104.14 1bld n ASN 80 Ca -0.01 -0.90 -0.13 0.00 -0.03 0.00 0.00 54.58 53.51 1bld n ASN 80 Cb 0.27 -3.59 -0.10 0.00 -0.61 0.00 0.00 39.78 35.75 1bld n ASN 80 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1bld s ARG 81 N -6.28 0.54 -0.06 3.52 0.52 -1.25 -4.55 118.95 111.38 1bld s ARG 81 Ca 0.06 -0.10 -0.16 0.00 -0.52 0.00 0.00 55.73 55.02 1bld s ARG 81 Cb -0.03 0.24 -0.05 0.00 0.52 0.00 0.00 34.95 35.63 1bld s ARG 81 CO 0.85 -0.13 0.41 0.71 0.02 0.00 0.00 175.30 177.16 1bld s TYR 82 N -0.98 3.62 0.48 -0.53 1.51 0.14 -1.76 117.35 119.83 1bld s TYR 82 Ca -0.11 0.90 -0.23 0.00 -1.01 0.00 0.00 57.07 56.62 1bld s TYR 82 Cb -0.05 -2.38 -0.07 0.00 -0.11 0.00 0.00 41.96 39.35 1bld s TYR 82 CO 0.03 0.43 1.28 -1.17 -1.11 0.00 0.00 175.55 175.01 1bld s LEU 83 N -0.30 4.01 -0.14 -1.29 2.96 -1.24 -2.38 118.68 120.31 1bld s LEU 83 Ca 0.23 2.60 -0.10 0.00 -0.22 0.00 0.00 54.13 56.63 1bld s LEU 83 Cb -0.16 -4.15 0.04 0.00 0.50 0.00 0.00 46.19 42.43 1bld s LEU 83 CO 0.11 -1.15 0.36 0.00 -1.32 0.00 0.00 176.35 174.35 1bld s ALA 84 N -1.36 -0.88 -0.10 5.97 0.00 -0.22 -4.27 121.76 120.89 1bld s ALA 84 Ca 0.64 1.17 -0.09 0.00 0.00 0.00 0.00 51.96 53.68 1bld s ALA 84 Cb -0.36 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 1bld s ALA 84 CO 0.44 -0.20 0.21 1.41 0.00 0.00 0.00 175.76 177.62 1bld s MET 85 N 0.73 3.64 0.71 0.00 1.75 -1.20 -1.78 119.30 123.15 1bld s MET 85 Ca -0.04 0.01 -0.00 0.00 -1.25 0.00 0.00 55.69 54.40 1bld s MET 85 Cb -0.06 -3.22 0.13 0.00 2.84 0.00 0.00 34.83 34.52 1bld s MET 85 CO -0.05 0.70 0.98 0.15 -0.65 0.00 0.00 175.02 176.16 1bld s LYS 86 N -0.88 1.70 0.25 4.11 -0.14 -0.69 -4.89 119.74 119.21 1bld s LYS 86 Ca 0.17 -1.16 0.14 0.00 -1.36 0.00 0.00 55.97 53.76 1bld s LYS 86 Cb -0.13 -2.35 0.03 0.00 -1.68 0.00 0.00 37.83 33.70 1bld s LYS 86 CO 0.06 -1.42 1.40 1.05 -0.76 0.00 0.00 175.35 175.67 1bld h GLU 87 N -0.49 0.00 -0.00 1.68 9.09 -1.99 -3.09 114.58 119.78 1bld h GLU 87 Ca -0.36 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.05 1bld h GLU 87 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.37 1bld h GLU 87 CO 0.40 0.53 -0.02 -0.40 0.05 0.00 0.00 179.01 179.57 1bld n ASP 88 N -3.22 0.42 0.00 3.06 5.68 -1.26 -4.86 116.55 116.38 1bld n ASP 88 Ca 0.01 -0.94 0.00 0.00 -0.50 0.00 0.00 54.79 53.37 1bld n ASP 88 Cb 0.76 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.70 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 1.12 0.70 3.63 6.12 0.00 -1.17 -4.70 105.19 110.90 1bld n GLY 89 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.68 3.97 -0.07 1.61 0.52 -1.26 -2.97 118.95 120.06 1bld s ARG 90 Ca 0.00 1.09 -0.19 0.00 -0.52 0.00 0.00 55.73 56.11 1bld s ARG 90 Cb 0.00 -3.81 -0.05 0.00 0.52 0.00 0.00 34.95 31.61 1bld s ARG 90 CO 0.00 -1.04 0.53 -0.51 0.02 0.00 0.00 175.30 174.30 1bld s LEU 91 N 4.02 4.34 0.00 2.53 1.02 -1.26 -1.69 118.68 127.63 1bld s LEU 91 Ca 0.50 0.96 0.00 0.00 0.02 0.00 0.00 54.13 55.61 1bld s LEU 91 Cb -0.13 -2.78 -0.00 0.00 0.02 0.00 0.00 46.19 43.29 1bld s LEU 91 CO 0.20 0.05 0.09 0.00 0.02 0.00 0.00 176.35 176.71 1bld n LEU 92 N 3.26 0.00 -4.02 1.79 -0.00 -0.73 -4.59 117.00 112.71 1bld n LEU 92 Ca -0.07 -0.62 -0.09 0.00 -0.00 0.00 0.00 56.01 55.23 1bld n LEU 92 Cb 0.51 0.50 -0.11 0.00 -0.00 0.00 0.00 43.42 44.32 1bld n LEU 92 CO 0.43 -0.13 -0.37 0.00 -0.00 0.00 0.00 177.39 177.32 1bld s ALA 93 N -1.94 0.30 0.22 1.47 0.00 -1.21 -1.06 121.76 119.55 1bld s ALA 93 Ca 0.07 -0.78 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 1bld s ALA 93 Cb -0.00 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 1bld s ALA 93 CO 0.05 -0.19 0.28 -1.12 0.00 0.00 0.00 175.76 174.77 1bld s SER 94 N -1.87 0.05 0.26 0.00 0.01 -1.00 -4.81 113.70 106.34 1bld s SER 94 Ca -0.09 -1.19 0.18 0.00 1.31 0.00 0.00 55.95 56.16 1bld s SER 94 Cb -0.05 0.47 0.07 0.00 0.21 0.00 0.00 66.02 66.71 1bld s SER 94 CO -0.03 -0.97 1.29 0.11 0.41 0.00 0.00 173.24 174.06 1bld h LYS 95 N 2.46 0.00 -6.36 12.44 1.57 -1.89 0.40 116.57 125.20 1bld h LYS 95 Ca -0.32 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.92 1bld h LYS 95 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 1bld h LYS 95 CO 0.45 0.29 -0.20 -1.12 -0.57 0.00 0.00 179.45 178.31 1bld s SER 96 N -6.12 6.51 -0.37 0.86 0.01 -1.26 -4.72 113.70 108.61 1bld s SER 96 Ca 0.03 0.72 -0.18 0.00 1.31 0.00 0.00 55.95 57.82 1bld s SER 96 Cb 0.08 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 64.16 1bld s SER 96 CO 0.75 -0.07 0.53 -0.69 0.41 0.00 0.00 173.24 174.16 1bld s VAL 97 N -1.86 4.99 0.68 3.43 1.01 -1.26 -4.66 120.40 122.74 1bld s VAL 97 Ca 0.44 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.68 1bld s VAL 97 Cb -0.11 -4.01 0.11 0.00 0.00 0.00 0.00 36.38 32.37 1bld s VAL 97 CO 0.26 -0.29 0.94 0.42 0.00 0.00 0.00 175.10 176.43 1bld s THR 98 N 2.43 2.20 -0.29 3.92 -4.23 -1.26 -4.97 115.64 113.44 1bld s THR 98 Ca 0.19 -0.66 0.28 0.00 -1.18 0.00 0.00 61.69 60.32 1bld s THR 98 Cb -0.15 -2.54 0.33 0.00 1.34 0.00 0.00 72.50 71.48 1bld s THR 98 CO 0.14 0.00 1.81 -0.78 -0.54 0.00 0.00 174.62 175.25 1bld h ASP 99 N -0.36 0.00 -0.42 3.99 1.82 -2.00 -2.65 116.42 116.80 1bld h ASP 99 Ca -0.36 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.28 1bld h ASP 99 Cb 1.27 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.28 1bld h ASP 99 CO 0.41 0.00 0.00 -0.62 -1.61 0.00 0.00 179.24 177.42 1bld n GLU 100 N -2.73 3.12 0.00 0.28 4.71 -1.26 -3.91 120.64 120.84 1bld n GLU 100 Ca 0.02 -1.99 0.12 0.00 -0.01 0.00 0.00 57.16 55.31 1bld n GLU 100 Cb 0.35 -1.80 0.21 0.00 -1.01 0.00 0.00 31.44 29.19 1bld n GLU 100 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1bld s PHE 102 N -2.72 3.47 -0.16 0.00 0.40 -1.25 -4.14 117.98 113.58 1bld s PHE 102 Ca 0.17 0.63 -0.04 0.00 -0.60 0.00 0.00 56.93 57.09 1bld s PHE 102 Cb 0.18 -2.08 0.08 0.00 0.51 0.00 0.00 43.02 41.70 1bld s PHE 102 CO 0.63 0.24 0.25 -0.06 0.70 0.00 0.00 175.22 176.99 1bld s PHE 103 N -1.97 -0.39 0.92 0.36 0.40 -1.23 -3.72 117.98 112.34 1bld s PHE 103 Ca 0.43 0.72 -0.12 0.00 -0.60 0.00 0.00 56.93 57.37 1bld s PHE 103 Cb -0.11 -0.14 0.08 0.00 0.51 0.00 0.00 43.02 43.36 1bld s PHE 103 CO 0.28 -0.45 0.78 1.19 0.70 0.00 0.00 175.22 177.72 1bld n PHE 104 N 5.34 -0.25 -4.82 0.36 3.72 0.12 -4.01 117.46 117.92 1bld n PHE 104 Ca -0.06 0.32 -0.26 0.00 -0.05 0.00 0.00 57.45 57.41 1bld n PHE 104 Cb 0.50 -1.91 -0.15 0.00 -0.94 0.00 0.00 39.48 36.98 1bld n PHE 104 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1bld s GLU 105 N -4.05 1.49 -0.31 -1.08 2.12 -1.05 -1.76 118.70 114.07 1bld s GLU 105 Ca 0.63 -0.77 -0.01 0.00 0.36 0.00 0.00 54.97 55.17 1bld s GLU 105 Cb -0.23 -1.49 0.13 0.00 0.26 0.00 0.00 34.13 32.79 1bld s GLU 105 CO 0.62 0.40 0.24 1.03 -0.54 0.00 0.00 175.26 177.01 1bld s ARG 106 N -0.71 0.34 0.11 4.30 1.81 -0.81 -4.97 118.95 119.02 1bld s ARG 106 Ca 0.07 -0.47 -0.31 0.00 -1.72 0.00 0.00 55.73 53.31 1bld s ARG 106 Cb -0.08 -0.88 -0.07 0.00 -0.45 0.00 0.00 34.95 33.47 1bld s ARG 106 CO 0.00 -1.06 1.24 -1.17 -0.68 0.00 0.00 175.30 173.62 1bld s LEU 107 N 2.04 4.39 0.00 2.53 0.20 -1.26 -2.84 118.68 123.74 1bld s LEU 107 Ca 0.11 2.14 0.00 0.00 0.69 0.00 0.00 54.13 57.07 1bld s LEU 107 Cb -0.16 -3.59 0.01 0.00 -0.43 0.00 0.00 46.19 42.03 1bld s LEU 107 CO -0.27 -0.48 0.09 -0.62 -0.29 0.00 0.00 176.35 174.77 1bld n GLU 108 N 3.56 0.61 0.00 1.98 1.02 -0.94 -4.99 120.64 121.87 1bld n GLU 108 Ca 0.08 -0.25 0.12 0.00 -0.02 0.00 0.00 57.16 57.10 1bld n GLU 108 Cb 0.45 -0.05 0.28 0.00 -0.02 0.00 0.00 31.44 32.10 1bld n GLU 108 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1bld n SER 109 N -2.99 1.33 -1.76 1.62 7.64 -1.26 -3.95 113.62 114.25 1bld n SER 109 Ca 0.01 -1.10 -0.09 0.00 1.01 0.00 0.00 58.87 58.71 1bld n SER 109 Cb 0.05 0.22 0.19 0.00 -1.01 0.00 0.00 64.21 63.66 1bld n SER 109 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1bld n ASN 110 N -0.42 3.87 0.00 6.43 4.13 -1.26 -4.84 115.26 123.17 1bld n ASN 110 Ca 0.12 -2.99 0.00 0.00 1.68 0.00 0.00 54.58 53.39 1bld n ASN 110 Cb 0.38 -0.71 0.00 0.00 -1.54 0.00 0.00 39.78 37.92 1bld n ASN 110 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1bld n ASN 111 N -0.28 0.00 -4.81 6.41 4.13 -1.25 -4.91 115.26 114.55 1bld n ASN 111 Ca 0.35 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 56.23 1bld n ASN 111 Cb 1.21 -2.37 -0.06 0.00 -1.54 0.00 0.00 39.78 37.02 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 -1.06 3.66 0.42 3.10 2.02 -1.26 -4.89 117.35 119.33 1bld s TYR 112 Ca 0.00 0.91 0.03 0.00 -0.37 0.00 0.00 57.07 57.64 1bld s TYR 112 Cb 0.00 -2.32 0.00 0.00 -0.40 0.00 0.00 41.96 39.24 1bld s TYR 112 CO 0.00 0.52 0.61 -0.80 -1.57 0.00 0.00 175.55 174.32 1bld s ASN 113 N -0.62 5.79 -0.10 2.29 0.02 0.20 -2.21 114.94 120.32 1bld s ASN 113 Ca 0.23 0.05 -0.04 0.00 -1.02 0.00 0.00 52.86 52.08 1bld s ASN 113 Cb -0.16 -1.29 0.05 0.00 0.02 0.00 0.00 41.25 39.87 1bld s ASN 113 CO 0.11 -0.68 0.18 0.42 0.02 0.00 0.00 177.10 177.15 1bld s THR 114 N -2.45 -0.28 -0.37 1.60 -4.23 -1.13 -1.13 115.64 107.65 1bld s THR 114 Ca 0.49 0.32 -0.16 0.00 -1.18 0.00 0.00 61.69 61.15 1bld s THR 114 Cb -0.10 -0.34 -0.00 0.00 1.34 0.00 0.00 72.50 73.40 1bld s THR 114 CO 0.35 0.12 0.40 -0.31 -0.54 0.00 0.00 174.62 174.65 1bld s TYR 115 N 2.31 3.19 -0.01 3.99 2.02 -1.26 -1.92 117.35 125.67 1bld s TYR 115 Ca 0.03 -0.12 -0.08 0.00 -0.37 0.00 0.00 57.07 56.53 1bld s TYR 115 Cb -0.12 -2.77 -0.05 0.00 -0.40 0.00 0.00 41.96 38.62 1bld s TYR 115 CO -0.06 -0.53 0.27 0.50 -1.57 0.00 0.00 175.55 174.16 1bld s ARG 116 N 2.09 3.61 0.97 -0.62 3.52 -0.72 -2.52 118.95 125.29 1bld s ARG 116 Ca 0.13 -0.01 -0.11 0.00 -0.13 0.00 0.00 55.73 55.61 1bld s ARG 116 Cb -0.17 -3.11 0.18 0.00 -1.56 0.00 0.00 34.95 30.29 1bld s ARG 116 CO 0.12 0.67 1.12 0.45 -0.81 0.00 0.00 175.30 176.85 1bld s SER 117 N -1.51 2.46 -0.11 -2.12 0.15 -1.05 -0.70 113.70 110.82 1bld s SER 117 Ca 0.25 2.03 -0.08 0.00 0.70 0.00 0.00 55.95 58.85 1bld s SER 117 Cb -0.13 -2.51 -0.03 0.00 -1.71 0.00 0.00 66.02 61.64 1bld s SER 117 CO 0.14 -3.36 -0.16 -1.14 1.20 0.00 0.00 173.24 169.91 1bld n ARG 118 N -4.40 0.34 -0.03 5.44 0.63 -1.24 -3.98 116.66 113.41 1bld n ARG 118 Ca 0.10 0.37 -0.13 0.00 -0.92 0.00 0.00 57.85 57.27 1bld n ARG 118 Cb 0.53 -1.36 -0.08 0.00 0.45 0.00 0.00 32.46 32.00 1bld n ARG 118 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1bld h LYS 119 N -0.71 0.19 -2.51 -0.14 3.64 -1.87 -3.25 116.57 111.91 1bld h LYS 119 Ca 0.00 -0.08 -0.77 0.00 -1.27 0.00 0.00 60.65 58.53 1bld h LYS 119 Cb 0.45 -0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.09 1bld h LYS 119 CO 0.00 0.56 1.89 0.66 -2.27 0.00 0.00 179.45 180.28 1bld n TYR 120 N -4.74 2.66 0.00 1.91 4.01 -1.26 -4.73 117.16 115.01 1bld n TYR 120 Ca -0.07 -2.72 0.00 0.00 -0.16 0.00 0.00 57.90 54.95 1bld n TYR 120 Cb 0.27 -1.60 0.00 0.00 -0.31 0.00 0.00 39.34 37.70 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 1.12 0.17 0.76 -0.72 -2.24 -1.23 -0.95 114.28 111.18 1bld n THR 121 Ca 0.56 0.05 0.05 0.00 -2.27 0.00 0.00 64.05 62.44 1bld n THR 121 Cb 0.26 -1.05 0.16 0.00 -2.10 0.00 0.00 70.33 67.60 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 -0.97 2.10 -3.65 3.42 7.64 -1.26 -4.85 113.62 116.04 1bld n SER 122 Ca 0.00 -2.06 -0.15 0.00 1.01 0.00 0.00 58.87 57.67 1bld n SER 122 Cb 0.01 -0.29 -0.08 0.00 -1.01 0.00 0.00 64.21 62.84 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 -1.57 -0.49 0.41 1.43 0.51 -0.13 -5.00 118.94 114.11 1bld s TRP 123 Ca 0.24 0.97 0.08 0.00 -2.12 0.00 0.00 56.10 55.27 1bld s TRP 123 Cb 0.13 0.24 -0.03 0.00 -0.81 0.00 0.00 33.47 33.00 1bld s TRP 123 CO 0.15 -0.43 0.31 0.71 -0.51 0.00 0.00 176.95 177.18 1bld s TYR 124 N -0.71 2.68 -0.05 -1.98 1.51 -1.26 -2.53 117.35 115.00 1bld s TYR 124 Ca -0.08 -0.52 -0.19 0.00 -1.01 0.00 0.00 57.07 55.27 1bld s TYR 124 Cb -0.03 -2.09 -0.05 0.00 -0.11 0.00 0.00 41.96 39.69 1bld s TYR 124 CO 0.05 -0.00 0.52 0.08 -1.11 0.00 0.00 175.55 175.09 1bld s VAL 125 N -2.51 5.04 0.21 0.71 1.01 -1.05 -4.87 120.40 118.94 1bld s VAL 125 Ca 0.45 1.07 -0.02 0.00 0.00 0.00 0.00 61.98 63.49 1bld s VAL 125 Cb -0.01 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.52 1bld s VAL 125 CO 0.26 0.40 0.30 0.00 0.00 0.00 0.00 175.10 176.06 1bld n ALA 126 N 3.01 -0.25 -2.16 5.51 0.00 -1.26 -4.66 120.51 120.69 1bld n ALA 126 Ca -0.08 -0.95 -0.10 0.00 0.00 0.00 0.00 53.44 52.32 1bld n ALA 126 Cb 0.51 0.76 -0.10 0.00 0.00 0.00 0.00 19.45 20.63 1bld n ALA 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bld s LEU 127 N 0.00 1.70 0.67 0.00 1.43 -1.26 -4.02 118.68 117.20 1bld s LEU 127 Ca 0.17 -1.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.07 1bld s LEU 127 Cb -0.01 0.31 0.11 0.00 0.03 0.00 0.00 46.19 46.64 1bld s LEU 127 CO 0.12 -0.74 0.93 -0.54 0.23 0.00 0.00 176.35 176.35 1bld s LYS 128 N -4.06 1.88 0.06 1.70 1.02 0.56 -4.59 119.74 116.31 1bld s LYS 128 Ca 0.26 -1.25 0.23 0.00 0.02 0.00 0.00 55.97 55.22 1bld s LYS 128 Cb 0.07 -2.43 0.13 0.00 -0.52 0.00 0.00 37.83 35.09 1bld s LYS 128 CO 0.03 -1.26 1.11 2.89 -0.92 0.00 0.00 175.35 177.20 1bld n ARG 129 N -2.65 0.26 -0.88 1.68 1.85 -1.26 -4.01 116.66 111.65 1bld n ARG 129 Ca 0.15 0.01 -0.18 0.00 -1.00 0.00 0.00 57.85 56.83 1bld n ARG 129 Cb 0.61 -1.60 0.10 0.00 -1.05 0.00 0.00 32.46 30.52 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 -1.94 2.64 -3.52 8.89 5.66 -1.26 -4.85 114.28 119.90 1bld n THR 130 Ca 0.02 -1.50 -0.19 0.00 -3.05 0.00 0.00 64.05 59.33 1bld n THR 130 Cb 0.43 -0.82 0.07 0.00 -1.55 0.00 0.00 70.33 68.46 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 -0.47 -0.41 3.22 1.09 0.00 -1.26 -5.00 105.19 102.37 1bld n GLY 131 Ca 0.40 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.48 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 -5.52 1.07 -0.25 1.61 -1.52 -1.26 -4.55 119.66 109.23 1bld s GLN 132 Ca 0.04 -1.41 -0.19 0.00 -1.95 0.00 0.00 55.36 51.85 1bld s GLN 132 Cb -0.01 0.29 -0.02 0.00 -0.22 0.00 0.00 33.01 33.05 1bld s GLN 132 CO 0.76 -0.34 0.59 1.52 -0.25 0.00 0.00 175.29 177.57 1bld s TYR 133 N -4.05 3.28 0.16 0.91 1.13 -1.26 -0.32 117.35 117.20 1bld s TYR 133 Ca 0.26 0.76 -0.31 0.00 -1.41 0.00 0.00 57.07 56.37 1bld s TYR 133 Cb 0.06 -2.79 -0.08 0.00 -1.10 0.00 0.00 41.96 38.05 1bld s TYR 133 CO 0.04 -0.30 1.33 0.21 -2.51 0.00 0.00 175.55 174.32 1bld s LYS 134 N 2.39 4.37 0.22 -3.49 2.20 -1.26 -4.79 119.74 119.39 1bld s LYS 134 Ca 0.24 2.03 -0.32 0.00 -0.36 0.00 0.00 55.97 57.57 1bld s LYS 134 Cb -0.16 -3.23 -0.14 0.00 -1.51 0.00 0.00 37.83 32.80 1bld s LYS 134 CO 0.09 -0.31 1.36 -0.11 -0.36 0.00 0.00 175.35 176.01 1bld n LEU 135 N 3.20 2.75 0.00 5.43 7.94 -1.26 -4.75 117.00 130.31 1bld n LEU 135 Ca 0.08 1.14 0.01 0.00 -1.11 0.00 0.00 56.01 56.13 1bld n LEU 135 Cb 0.43 -1.38 0.07 0.00 0.53 0.00 0.00 43.42 43.07 1bld n LEU 135 CO 0.58 -0.66 0.33 0.61 -1.11 0.00 0.00 177.39 177.14 1bld n GLY 136 N 2.18 -0.11 0.09 -3.96 0.00 -1.16 -1.14 105.19 101.09 1bld n GLY 136 Ca 0.13 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.03 0.62 -0.24 1.61 3.41 -1.26 -3.99 113.62 112.74 1bld n SER 137 Ca 0.02 0.29 0.13 0.00 -0.26 0.00 0.00 58.87 59.05 1bld n SER 137 Cb 0.01 0.27 0.40 0.00 -0.26 0.00 0.00 64.21 64.63 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 -2.94 0.84 -2.42 4.33 5.02 -0.29 -4.89 118.16 117.81 1bld n LYS 138 Ca -0.21 -0.48 -0.38 0.00 -2.02 0.00 0.00 58.31 55.22 1bld n LYS 138 Cb 1.06 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.55 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 3.43 -1.46 -0.18 -4.23 -1.16 -4.99 115.64 104.56 1bld s THR 139 Ca 0.25 1.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.96 1bld s THR 139 Cb 0.19 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.36 1bld s THR 139 CO 0.51 0.11 0.00 0.61 -0.54 0.00 0.00 174.62 175.31 1bld n GLY 140 N 0.62 -1.63 3.48 3.99 0.00 -1.26 -4.75 105.19 105.63 1bld n GLY 140 Ca 0.04 -1.10 -0.28 0.00 0.00 0.00 0.00 46.02 44.67 1bld n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bld s PRO 141 N -1.99 -1.10 0.00 1.61 0.04 -1.26 -3.64 135.00 128.65 1bld s PRO 141 Ca 0.00 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.84 1bld s PRO 141 Cb 0.00 -1.53 0.00 0.00 0.04 0.00 0.00 34.50 33.01 1bld s PRO 141 CO 0.00 -3.84 0.00 0.41 0.04 0.00 0.00 177.00 173.61 1bld n GLY 142 N 0.85 2.18 3.74 0.56 0.00 -1.26 -4.97 105.19 106.29 1bld n GLY 142 Ca 0.02 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 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 4.51 0.00 1.61 -0.21 -1.24 -4.89 119.66 119.44 1bld s GLN 143 Ca 0.00 1.83 0.10 0.00 0.02 0.00 0.00 55.36 57.31 1bld s GLN 143 Cb 0.00 -3.26 0.46 0.00 1.00 0.00 0.00 33.01 31.21 1bld s GLN 143 CO 0.00 -0.07 1.32 1.63 -2.12 0.00 0.00 175.29 176.05 1bld n LYS 144 N 2.61 1.28 0.00 2.91 4.01 -1.26 -3.79 118.16 123.92 1bld n LYS 144 Ca 0.04 -0.43 0.03 0.00 -0.51 0.00 0.00 58.31 57.44 1bld n LYS 144 Cb 0.45 -1.19 0.13 0.00 -0.51 0.00 0.00 35.03 33.91 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 -0.23 1.30 1.22 7.82 0.00 -1.26 -0.77 120.51 128.59 1bld n ALA 145 Ca 0.08 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.63 1bld n ALA 145 Cb 0.13 -1.10 0.37 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.47 0.00 -2.83 0.00 -5.35 -1.25 -4.51 119.36 103.95 1bld n ILE 146 Ca 0.02 -0.11 -0.43 0.00 -0.27 0.00 0.00 62.75 61.95 1bld n ILE 146 Cb 0.07 0.37 -0.03 0.00 -1.74 0.00 0.00 39.64 38.31 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 -2.55 4.66 0.42 7.28 1.43 0.05 -4.14 118.68 125.83 1bld s LEU 147 Ca 0.23 -1.89 0.02 0.00 -1.03 0.00 0.00 54.13 51.46 1bld s LEU 147 Cb 0.19 -2.44 -0.00 0.00 0.03 0.00 0.00 46.19 43.96 1bld s LEU 147 CO 0.54 -1.18 0.62 -0.36 0.23 0.00 0.00 176.35 176.20 1bld s PHE 148 N 3.27 3.20 -0.40 0.29 0.40 -0.28 -3.15 117.98 121.30 1bld s PHE 148 Ca 0.36 0.13 0.07 0.00 -0.60 0.00 0.00 56.93 56.90 1bld s PHE 148 Cb -0.04 -2.23 0.24 0.00 0.51 0.00 0.00 43.02 41.50 1bld s PHE 148 CO -0.10 -0.27 0.54 -0.11 0.70 0.00 0.00 175.22 175.98 1bld n LEU 149 N -1.98 -0.17 -4.58 -0.37 7.94 -0.69 -0.62 117.00 116.53 1bld n LEU 149 Ca 0.01 -4.53 -0.41 0.00 -1.11 0.00 0.00 56.01 49.97 1bld n LEU 149 Cb 0.58 0.65 -0.03 0.00 0.53 0.00 0.00 43.42 45.15 1bld n LEU 149 CO 0.46 2.04 1.78 -2.84 -1.11 0.00 0.00 177.39 177.73 1bld s PRO 150 N -0.90 2.87 -0.23 1.96 0.02 -1.26 -3.61 135.00 133.86 1bld s PRO 150 Ca 0.35 1.55 -0.14 0.00 0.02 0.00 0.00 61.00 62.77 1bld s PRO 150 Cb 0.16 -4.38 -0.04 0.00 0.02 0.00 0.00 34.50 30.26 1bld s PRO 150 CO -0.13 -2.41 0.34 -1.64 -0.33 0.00 0.00 177.00 172.84 1bld s MET 151 N 6.72 4.10 0.75 5.54 -1.94 -0.85 -4.87 119.30 128.75 1bld s MET 151 Ca 0.90 0.05 -0.12 0.00 -1.71 0.00 0.00 55.69 54.81 1bld s MET 151 Cb -0.24 -3.58 0.05 0.00 2.01 0.00 0.00 34.83 33.07 1bld s MET 151 CO 0.31 -0.10 1.12 0.45 -0.01 0.00 0.00 175.02 176.79 1bld s SER 152 N 1.25 4.41 -0.41 3.03 0.15 -1.26 -2.08 113.70 118.79 1bld s SER 152 Ca 0.15 2.00 0.04 0.00 0.70 0.00 0.00 55.95 58.85 1bld s SER 152 Cb -0.15 -2.55 0.17 0.00 -1.71 0.00 0.00 66.02 61.78 1bld s SER 152 CO 0.08 -2.10 0.39 0.00 1.20 0.00 0.00 173.24 172.81 1bld s ALA 153 N -2.57 0.52 0.02 5.45 0.00 -1.16 -4.88 121.76 119.13 1bld s ALA 153 Ca 0.66 -1.85 -0.13 0.00 0.00 0.00 0.00 51.96 50.63 1bld s ALA 153 Cb -0.21 -1.84 -0.07 0.00 0.00 0.00 0.00 23.12 21.01 1bld s ALA 153 CO 0.50 -2.06 1.08 0.87 0.00 0.00 0.00 175.76 176.16 1bld h LYS 154 N 5.90 -0.46 -0.01 0.00 1.57 -1.95 -3.41 116.57 118.22 1bld h LYS 154 Ca 0.18 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1bld h LYS 154 Cb 0.97 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1bld h LYS 154 CO 0.27 -0.31 0.00 0.45 -0.57 0.00 0.00 179.45 179.30