#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 -2.77 3.04 0.00 -1.26 -2.89 120.51 116.63 1bld n ALA 2 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1bld n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 3.71 0.00 0.00 -0.58 -1.26 -4.94 120.64 117.57 1bld n GLU 3 Ca 0.00 -3.94 0.00 0.00 -0.42 0.00 0.00 57.16 52.80 1bld n GLU 3 Cb 0.00 -2.83 0.00 0.00 -0.57 0.00 0.00 31.44 28.04 1bld n GLU 3 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bld n GLY 4 N 2.86 0.37 0.00 0.62 0.00 -1.14 -4.78 105.19 103.12 1bld n GLY 4 Ca 0.34 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 5.68 0.00 -0.41 1.61 1.02 -1.26 0.47 120.64 127.75 1bld n GLU 5 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1bld n GLU 5 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1bld n GLU 5 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1bld n ILE 6 N 0.00 0.00 -3.14 -3.67 5.41 -1.26 0.21 119.36 116.90 1bld n ILE 6 Ca 0.00 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.61 1bld n ILE 6 Cb 0.00 -1.41 0.07 0.00 -0.71 0.00 0.00 39.64 37.59 1bld n ILE 6 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1bld n THR 7 N -0.98 -4.74 1.65 1.39 -2.24 -1.26 -4.88 114.28 103.23 1bld n THR 7 Ca 0.00 -0.39 0.15 0.00 -2.27 0.00 0.00 64.05 61.54 1bld n THR 7 Cb 0.00 -4.47 0.80 0.00 -2.10 0.00 0.00 70.33 64.56 1bld n THR 7 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1bld n THR 8 N -3.51 0.00 -3.83 4.28 -2.24 -1.26 -4.36 114.28 103.36 1bld n THR 8 Ca -0.23 -0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 61.21 1bld n THR 8 Cb 0.63 -0.40 -0.11 0.00 -2.10 0.00 0.00 70.33 68.35 1bld n THR 8 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1bld s LEU 9 N -2.32 4.83 -0.55 3.22 2.96 -1.26 -4.99 118.68 120.58 1bld s LEU 9 Ca 0.36 -3.14 -0.26 0.00 -0.22 0.00 0.00 54.13 50.88 1bld s LEU 9 Cb 0.21 -1.74 -0.09 0.00 0.50 0.00 0.00 46.19 45.07 1bld s LEU 9 CO 0.42 -0.26 2.44 -2.65 -1.32 0.00 0.00 176.35 174.99 1bld n PRO 10 N 3.02 0.93 -1.73 0.98 -0.02 -1.26 -4.86 135.00 132.06 1bld n PRO 10 Ca 0.09 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1bld n PRO 10 Cb 0.35 -3.31 0.00 0.00 -0.02 0.00 0.00 33.50 30.52 1bld n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bld n ALA 11 N 15.66 0.00 -3.14 3.55 0.00 -1.26 -5.11 120.51 130.21 1bld n ALA 11 Ca 0.40 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.62 1bld n ALA 11 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 1bld n ALA 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1bld n LEU 12 N 0.00 -0.09 -4.56 0.00 7.94 -1.26 -5.06 117.00 113.97 1bld n LEU 12 Ca 0.00 -4.58 -0.22 0.00 -1.11 0.00 0.00 56.01 50.10 1bld n LEU 12 Cb 0.00 0.67 -0.06 0.00 0.53 0.00 0.00 43.42 44.56 1bld n LEU 12 CO 0.00 2.09 1.30 -2.16 -1.11 0.00 0.00 177.39 177.51 1bld s PRO 13 N -1.12 2.18 0.00 1.96 0.04 -1.26 -4.72 135.00 132.08 1bld s PRO 13 Ca 0.35 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.30 1bld s PRO 13 Cb 0.20 -4.98 0.00 0.00 0.04 0.00 0.00 34.50 29.76 1bld s PRO 13 CO -0.12 -3.86 0.00 0.39 0.04 0.00 0.00 177.00 173.45 1bld n GLU 14 N 8.78 0.00 0.30 4.56 1.02 -1.26 -4.92 120.64 129.12 1bld n GLU 14 Ca 0.43 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.75 1bld n GLU 14 Cb 0.46 0.00 0.87 0.00 -0.02 0.00 0.00 31.44 32.74 1bld n GLU 14 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1bld h ASP 15 N 0.00 0.00 0.00 1.62 3.58 -1.99 -3.46 116.42 116.17 1bld h ASP 15 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1bld h ASP 15 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1bld h ASP 15 CO 0.00 0.02 0.00 0.61 -2.88 0.00 0.00 179.24 176.99 1bld n GLY 16 N -0.40 1.07 3.57 -0.78 0.00 -1.26 -4.65 105.19 102.73 1bld n GLY 16 Ca -0.01 0.38 -0.18 0.00 0.00 0.00 0.00 46.02 46.21 1bld n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bld n GLY 17 N 0.00 -0.18 3.08 -0.02 0.00 -1.26 -4.33 105.19 102.48 1bld n GLY 17 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 46.02 45.95 1bld n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bld s SER 18 N 8.15 -0.94 0.00 1.61 0.01 -1.26 -4.90 113.70 116.36 1bld s SER 18 Ca 0.79 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.93 1bld s SER 18 Cb -0.03 1.43 0.00 0.00 0.21 0.00 0.00 66.02 67.63 1bld s SER 18 CO 0.19 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.31 1bld n GLY 19 N 4.76 2.16 2.81 3.44 0.00 -1.26 -4.43 105.19 112.67 1bld n GLY 19 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 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 0.41 -3.12 -3.66 4.61 0.00 -1.26 -4.06 120.51 113.43 1bld n ALA 20 Ca 0.00 0.73 -0.22 0.00 0.00 0.00 0.00 53.44 53.95 1bld n ALA 20 Cb 0.00 -1.56 0.01 0.00 0.00 0.00 0.00 19.45 17.90 1bld n ALA 20 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1bld n PHE 21 N 1.10 -2.17 -1.80 0.00 3.72 -1.26 -4.77 117.46 112.27 1bld n PHE 21 Ca -0.08 0.79 -0.43 0.00 -0.05 0.00 0.00 57.45 57.69 1bld n PHE 21 Cb 0.21 -3.12 -0.03 0.00 -0.94 0.00 0.00 39.48 35.60 1bld n PHE 21 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1bld s PRO 22 N -4.88 3.58 0.09 -1.08 0.02 -1.26 -4.92 135.00 126.55 1bld s PRO 22 Ca 0.10 2.00 -0.31 0.00 0.02 0.00 0.00 61.00 62.81 1bld s PRO 22 Cb -0.04 -4.21 -0.09 0.00 0.02 0.00 0.00 34.50 30.17 1bld s PRO 22 CO 0.87 -1.58 1.74 -1.25 -0.33 0.00 0.00 177.00 176.45 1bld s PRO 23 N 5.36 4.17 0.00 5.54 0.05 -1.26 -3.80 135.00 145.06 1bld s PRO 23 Ca 0.87 2.45 0.00 0.00 0.05 0.00 0.00 61.00 64.38 1bld s PRO 23 Cb -0.32 -3.63 0.00 0.00 0.05 0.00 0.00 34.50 30.60 1bld s PRO 23 CO 0.35 -0.79 0.00 0.41 0.05 0.00 0.00 177.00 177.02 1bld n GLY 24 N 4.12 2.24 0.00 0.56 0.00 -1.26 -4.91 105.19 105.95 1bld n GLY 24 Ca 0.17 -0.27 0.03 0.00 0.00 0.00 0.00 46.02 45.94 1bld n GLY 24 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bld n HIS 25 N 0.00 0.00 0.74 1.61 1.44 -1.25 -2.75 115.22 115.01 1bld n HIS 25 Ca 0.00 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.74 1bld n HIS 25 Cb 0.00 0.00 0.11 0.00 0.12 0.00 0.00 29.99 30.22 1bld n HIS 25 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1bld n PHE 26 N -0.70 0.51 -0.72 -1.40 3.01 -1.26 -4.13 117.46 112.77 1bld n PHE 26 Ca 0.05 -0.19 -0.18 0.00 1.01 0.00 0.00 57.45 58.13 1bld n PHE 26 Cb 0.02 -0.15 0.08 0.00 -0.01 0.00 0.00 39.48 39.42 1bld n PHE 26 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1bld n LYS 27 N 0.17 1.91 -3.78 -1.08 4.76 -1.11 -4.56 118.16 114.47 1bld n LYS 27 Ca 0.08 -1.93 -0.13 0.00 -2.87 0.00 0.00 58.31 53.46 1bld n LYS 27 Cb 0.41 -1.76 -0.09 0.00 -1.84 0.00 0.00 35.03 31.76 1bld n LYS 27 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1bld s ASP 28 N -0.36 -0.18 1.07 4.39 1.11 -1.26 -5.14 116.67 116.30 1bld s ASP 28 Ca 0.37 0.11 -0.12 0.00 0.18 0.00 0.00 52.55 53.10 1bld s ASP 28 Cb 0.30 0.34 0.21 0.00 1.07 0.00 0.00 42.92 44.84 1bld s ASP 28 CO 0.03 -0.39 0.96 -0.81 1.18 0.00 0.00 175.17 176.13 1bld n PRO 29 N 1.50 -1.58 -3.68 8.23 -0.04 -1.26 -4.46 135.00 133.72 1bld n PRO 29 Ca -0.21 -0.42 -0.13 0.00 -0.04 0.00 0.00 63.50 62.71 1bld n PRO 29 Cb 0.56 -2.19 -0.13 0.00 -0.04 0.00 0.00 33.50 31.70 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 -4.37 0.18 -0.20 0.54 1.02 -0.65 -3.46 119.74 112.79 1bld s LYS 30 Ca 0.66 0.73 -0.23 0.00 0.02 0.00 0.00 55.97 57.15 1bld s LYS 30 Cb -0.23 -0.03 -0.02 0.00 -0.52 0.00 0.00 37.83 37.03 1bld s LYS 30 CO 0.63 -0.26 0.76 1.03 -0.92 0.00 0.00 175.35 176.59 1bld s ARG 31 N 2.19 4.24 -0.67 1.68 0.52 -1.19 -3.91 118.95 121.81 1bld s ARG 31 Ca -0.01 0.85 -0.24 0.00 -0.52 0.00 0.00 55.73 55.81 1bld s ARG 31 Cb -0.12 -3.59 0.05 0.00 0.52 0.00 0.00 34.95 31.81 1bld s ARG 31 CO -0.09 -0.35 1.07 -0.51 0.02 0.00 0.00 175.30 175.45 1bld s LEU 32 N 2.24 3.91 -0.20 2.53 1.43 -1.26 -2.66 118.68 124.66 1bld s LEU 32 Ca 0.34 -0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 52.58 1bld s LEU 32 Cb -0.16 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 1bld s LEU 32 CO 0.10 -1.54 0.51 -0.47 0.23 0.00 0.00 176.35 175.18 1bld s TYR 33 N 4.63 3.37 -0.13 0.29 5.04 -1.24 -1.84 117.35 127.47 1bld s TYR 33 Ca 0.28 0.76 -0.20 0.00 -2.44 0.00 0.00 57.07 55.47 1bld s TYR 33 Cb -0.13 -2.65 -0.03 0.00 0.35 0.00 0.00 41.96 39.49 1bld s TYR 33 CO 0.14 -0.09 0.59 0.00 -1.34 0.00 0.00 175.55 174.85 1bld h LYS 35 N 7.02 0.00 -5.96 0.00 3.64 -1.86 -2.59 116.57 116.83 1bld h LYS 35 Ca -0.37 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.41 1bld h LYS 35 Cb 1.17 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.88 1bld h LYS 35 CO 0.76 0.00 0.65 -0.80 -2.27 0.00 0.00 179.45 177.79 1bld s ASN 36 N -5.80 6.34 0.00 4.20 -0.87 -1.26 -3.56 114.94 113.98 1bld s ASN 36 Ca 0.04 -0.33 0.00 0.00 -1.57 0.00 0.00 52.86 51.00 1bld s ASN 36 Cb 0.07 -2.46 0.00 0.00 -0.02 0.00 0.00 41.25 38.85 1bld s ASN 36 CO 0.59 -1.31 0.00 0.61 -2.57 0.00 0.00 177.10 174.42 1bld n GLY 37 N 5.14 0.74 3.16 0.66 0.00 -1.26 -4.38 105.19 109.24 1bld n GLY 37 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.50 -0.93 2.97 -0.02 0.00 -1.15 -5.01 105.19 98.57 1bld n GLY 38 Ca 0.00 0.75 -0.13 0.00 0.00 0.00 0.00 46.02 46.64 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 -1.60 -0.16 -0.17 1.61 0.08 -0.99 -4.72 117.98 112.04 1bld s PHE 39 Ca 0.19 0.41 -0.14 0.00 0.12 0.00 0.00 56.93 57.51 1bld s PHE 39 Cb -0.03 -0.01 -0.05 0.00 -0.57 0.00 0.00 43.02 42.37 1bld s PHE 39 CO 0.60 -0.11 0.28 -0.06 -0.10 0.00 0.00 175.22 175.83 1bld s PHE 40 N 0.55 3.44 0.47 0.36 0.40 -0.91 -0.04 117.98 122.25 1bld s PHE 40 Ca -0.04 0.56 -0.23 0.00 -0.60 0.00 0.00 56.93 56.62 1bld s PHE 40 Cb -0.06 -2.34 -0.08 0.00 0.51 0.00 0.00 43.02 41.05 1bld s PHE 40 CO -0.03 0.21 1.13 -0.11 0.70 0.00 0.00 175.22 177.13 1bld n LEU 41 N 3.68 3.67 -3.52 -0.37 7.94 -0.77 -2.20 117.00 125.44 1bld n LEU 41 Ca -0.12 1.01 -0.12 0.00 -1.11 0.00 0.00 56.01 55.67 1bld n LEU 41 Cb 0.52 -1.44 -0.11 0.00 0.53 0.00 0.00 43.42 42.92 1bld n LEU 41 CO 0.39 -1.15 -0.09 -0.60 -1.11 0.00 0.00 177.39 174.83 1bld s ARG 42 N -2.33 0.26 -0.36 1.96 3.52 -0.08 -4.60 118.95 117.32 1bld s ARG 42 Ca 0.66 0.63 -0.21 0.00 -0.13 0.00 0.00 55.73 56.67 1bld s ARG 42 Cb -0.49 -0.34 0.01 0.00 -1.56 0.00 0.00 34.95 32.56 1bld s ARG 42 CO 0.54 -0.47 0.68 0.42 -0.81 0.00 0.00 175.30 175.66 1bld s ILE 43 N 2.48 4.84 0.58 4.11 1.01 -1.26 -1.79 121.20 131.17 1bld s ILE 43 Ca 0.06 0.64 -0.18 0.00 0.00 0.00 0.00 60.65 61.17 1bld s ILE 43 Cb -0.14 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 1bld s ILE 43 CO -0.13 -0.37 1.13 -1.00 0.00 0.00 0.00 174.94 174.58 1bld s HIS 44 N 2.84 2.63 0.56 3.97 3.76 0.15 -4.73 115.29 124.47 1bld s HIS 44 Ca 0.26 1.54 0.25 0.00 -0.15 0.00 0.00 55.06 56.96 1bld s HIS 44 Cb -0.14 -3.28 1.50 0.00 1.11 0.00 0.00 32.58 31.77 1bld s HIS 44 CO 0.16 -1.66 2.10 -1.00 -0.85 0.00 0.00 174.74 173.48 1bld h PRO 45 N 0.88 0.00 0.00 8.40 0.13 -1.91 0.18 132.00 139.68 1bld h PRO 45 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1bld h PRO 45 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1bld h PRO 45 CO 0.56 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.93 1bld n ASP 46 N -4.15 0.00 0.00 1.44 5.68 -1.26 -4.83 116.55 113.42 1bld n ASP 46 Ca 0.02 -0.37 0.00 0.00 -0.50 0.00 0.00 54.79 53.94 1bld n ASP 46 Cb 0.32 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 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 0.57 1.46 3.69 6.12 0.00 0.62 -4.92 105.19 112.73 1bld n GLY 47 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1bld n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bld s ARG 48 N -0.83 4.25 -0.08 1.61 3.00 -1.25 -3.30 118.95 122.34 1bld s ARG 48 Ca 0.00 2.14 -0.14 0.00 0.00 0.00 0.00 55.73 57.73 1bld s ARG 48 Cb 0.00 -3.51 -0.05 0.00 0.00 0.00 0.00 34.95 31.39 1bld s ARG 48 CO 0.00 -0.62 0.35 0.08 0.00 0.00 0.00 175.30 175.11 1bld s VAL 49 N 2.23 5.19 0.00 3.52 1.01 -1.26 -0.67 120.40 130.41 1bld s VAL 49 Ca 0.68 0.70 0.00 0.00 0.00 0.00 0.00 61.98 63.36 1bld s VAL 49 Cb -0.36 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1bld s VAL 49 CO 0.29 0.49 0.00 -0.90 0.00 0.00 0.00 175.10 174.99 1bld n ASP 50 N 2.61 0.00 -3.83 3.32 5.75 -0.74 -4.42 116.55 119.24 1bld n ASP 50 Ca -0.13 -0.38 -0.12 0.00 -0.01 0.00 0.00 54.79 54.15 1bld n ASP 50 Cb 0.52 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.51 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 -0.38 -0.05 0.03 6.12 0.00 -0.93 -0.90 107.32 111.21 1bld s GLY 51 Ca 0.00 0.17 -0.08 0.00 0.00 0.00 0.00 44.72 44.82 1bld s GLY 51 CO 0.00 0.05 0.16 -1.34 0.00 0.00 0.00 173.10 171.97 1bld s VAL 52 N -0.82 0.11 -2.55 1.40 -7.23 -0.93 -4.32 120.40 106.06 1bld s VAL 52 Ca -0.09 -0.88 0.24 0.00 -1.81 0.00 0.00 61.98 59.44 1bld s VAL 52 Cb -0.05 -0.76 0.41 0.00 0.56 0.00 0.00 36.38 36.54 1bld s VAL 52 CO 0.01 -0.48 1.51 0.54 -0.31 0.00 0.00 175.10 176.37 1bld n ARG 53 N 0.94 2.01 -2.51 4.82 1.74 -1.26 -2.14 116.66 120.27 1bld n ARG 53 Ca -0.20 -1.50 -0.40 0.00 -0.77 0.00 0.00 57.85 54.98 1bld n ARG 53 Cb 0.58 -1.46 -0.02 0.00 -1.02 0.00 0.00 32.46 30.54 1bld n ARG 53 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1bld s GLU 54 N -1.84 3.59 0.00 5.56 0.41 -1.26 -4.76 118.70 120.40 1bld s GLU 54 Ca 0.34 -1.32 0.03 0.00 -0.41 0.00 0.00 54.97 53.60 1bld s GLU 54 Cb 0.20 -5.39 0.13 0.00 -1.78 0.00 0.00 34.13 27.30 1bld s GLU 54 CO 0.30 -2.39 0.87 0.36 -0.49 0.00 0.00 175.26 173.92 1bld n LYS 55 N 8.72 0.04 -0.39 1.61 2.85 -1.26 -1.73 118.16 127.99 1bld n LYS 55 Ca 0.39 0.24 -0.04 0.00 -1.05 0.00 0.00 58.31 57.85 1bld n LYS 55 Cb 0.49 -1.50 0.10 0.00 -0.65 0.00 0.00 35.03 33.47 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 -1.26 3.03 -4.11 -5.58 2.88 -1.26 -4.54 113.62 102.78 1bld n SER 56 Ca 0.01 -2.47 -0.36 0.00 -1.33 0.00 0.00 58.87 54.71 1bld n SER 56 Cb 0.02 -0.60 -0.11 0.00 -0.75 0.00 0.00 64.21 62.77 1bld n SER 56 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1bld s ASP 57 N -0.02 5.26 0.00 -3.46 1.01 -0.71 -4.92 116.67 113.83 1bld s ASP 57 Ca 0.20 -2.38 0.00 0.00 0.71 0.00 0.00 52.55 51.09 1bld s ASP 57 Cb 0.16 -1.84 0.02 0.00 1.01 0.00 0.00 42.92 42.27 1bld s ASP 57 CO 0.05 -0.47 0.49 -2.65 0.21 0.00 0.00 175.17 172.79 1bld n PRO 58 N 4.13 0.01 0.12 8.23 -0.02 -1.26 -1.32 135.00 144.89 1bld n PRO 58 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1bld n PRO 58 Cb 0.40 -1.47 0.04 0.00 -0.02 0.00 0.00 33.50 32.45 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 -1.96 -2.98 115.15 120.07 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 0.63 0.00 0.44 0.86 0.00 0.00 177.93 179.86 1bld n ILE 60 N -3.33 0.17 -2.35 2.45 -5.35 -0.44 -4.47 119.36 106.04 1bld n ILE 60 Ca 0.01 0.04 -0.35 0.00 -0.27 0.00 0.00 62.75 62.18 1bld n ILE 60 Cb 0.75 -0.78 -0.04 0.00 -1.74 0.00 0.00 39.64 37.83 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 -2.18 3.19 -0.01 6.28 1.02 -1.13 -4.61 119.74 122.30 1bld s LYS 61 Ca 0.22 -0.92 -0.19 0.00 0.02 0.00 0.00 55.97 55.10 1bld s LYS 61 Cb 0.11 -5.26 -0.05 0.00 -0.52 0.00 0.00 37.83 32.10 1bld s LYS 61 CO 0.21 -2.75 0.56 -0.51 -0.92 0.00 0.00 175.35 171.93 1bld s LEU 62 N 7.14 4.42 -0.54 3.17 1.43 -1.25 -3.12 118.68 129.92 1bld s LEU 62 Ca 0.57 1.11 -0.22 0.00 -1.03 0.00 0.00 54.13 54.56 1bld s LEU 62 Cb -0.02 -2.85 0.05 0.00 0.03 0.00 0.00 46.19 43.40 1bld s LEU 62 CO -0.03 0.13 0.81 -1.58 0.23 0.00 0.00 176.35 175.91 1bld s GLN 63 N -0.28 3.23 -0.16 1.70 2.00 0.26 -1.64 119.66 124.75 1bld s GLN 63 Ca 0.29 -0.57 -0.16 0.00 -2.00 0.00 0.00 55.36 52.92 1bld s GLN 63 Cb -0.18 -4.08 -0.04 0.00 0.80 0.00 0.00 33.01 29.51 1bld s GLN 63 CO 0.16 -1.39 0.38 -0.51 -0.50 0.00 0.00 175.29 173.43 1bld s LEU 64 N 3.38 4.22 0.06 3.68 1.02 -1.26 -1.09 118.68 128.69 1bld s LEU 64 Ca 0.23 0.59 0.07 0.00 0.02 0.00 0.00 54.13 55.04 1bld s LEU 64 Cb -0.16 -2.51 -0.04 0.00 0.02 0.00 0.00 46.19 43.50 1bld s LEU 64 CO 0.15 0.01 -0.13 -1.58 0.02 0.00 0.00 176.35 174.81 1bld s GLN 65 N 0.83 2.14 0.09 1.70 0.74 0.55 -4.71 119.66 121.00 1bld s GLN 65 Ca 0.20 -0.97 -0.21 0.00 0.05 0.00 0.00 55.36 54.43 1bld s GLN 65 Cb -0.14 -2.27 -0.07 0.00 1.10 0.00 0.00 33.01 31.63 1bld s GLN 65 CO 0.07 0.53 0.61 0.00 -0.55 0.00 0.00 175.29 175.96 1bld s ALA 66 N -1.06 3.56 -0.09 1.58 0.00 -1.26 0.00 121.76 124.48 1bld s ALA 66 Ca 0.18 0.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.19 1bld s ALA 66 Cb -0.11 -2.71 0.04 0.00 0.00 0.00 0.00 23.12 20.35 1bld s ALA 66 CO 0.09 0.36 0.21 -2.00 0.00 0.00 0.00 175.76 174.43 1bld s GLU 67 N -1.07 0.16 0.22 0.00 -6.30 -1.00 -4.80 118.70 105.92 1bld s GLU 67 Ca 0.30 0.49 0.00 0.00 -2.50 0.00 0.00 54.97 53.27 1bld s GLU 67 Cb -0.20 -0.14 0.00 0.00 0.00 0.00 0.00 34.13 33.79 1bld s GLU 67 CO 0.20 -0.17 0.00 -1.91 0.02 0.00 0.00 175.26 173.40 1bld n GLU 68 N 4.30 -1.83 -3.40 4.30 2.13 -1.26 -3.57 120.64 121.31 1bld n GLU 68 Ca -0.24 1.24 -0.39 0.00 0.66 0.00 0.00 57.16 58.42 1bld n GLU 68 Cb 0.52 -2.26 -0.09 0.00 0.27 0.00 0.00 31.44 29.88 1bld n GLU 68 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1bld s ARG 69 N -2.02 3.91 0.00 5.31 0.52 -1.26 -4.03 118.95 121.38 1bld s ARG 69 Ca 0.00 -0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.13 1bld s ARG 69 Cb 0.00 -3.69 0.00 0.00 0.52 0.00 0.00 34.95 31.78 1bld s ARG 69 CO 0.00 -0.33 0.00 0.41 0.02 0.00 0.00 175.30 175.40 1bld n GLY 70 N 4.77 0.86 3.18 -3.53 0.00 -1.26 -5.08 105.19 104.14 1bld n GLY 70 Ca -0.09 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 0.05 -0.03 1.61 1.01 -1.23 -4.14 120.40 115.66 1bld s VAL 71 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1bld s VAL 71 Cb 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 35.89 1bld s VAL 71 CO 0.00 -0.21 0.07 0.68 0.00 0.00 0.00 175.10 175.63 1bld s VAL 72 N -0.89 -0.01 -0.32 2.92 -7.23 -1.26 -2.36 120.40 111.23 1bld s VAL 72 Ca -0.10 0.05 -0.18 0.00 -1.81 0.00 0.00 61.98 59.95 1bld s VAL 72 Cb -0.05 -0.11 -0.01 0.00 0.56 0.00 0.00 36.38 36.77 1bld s VAL 72 CO 0.02 0.02 0.50 -0.44 -0.31 0.00 0.00 175.10 174.89 1bld s SER 73 N 0.32 6.33 0.15 4.85 0.01 0.10 -3.88 113.70 121.58 1bld s SER 73 Ca -0.02 0.10 -0.15 0.00 1.31 0.00 0.00 55.95 57.19 1bld s SER 73 Cb -0.04 -2.26 -0.07 0.00 0.21 0.00 0.00 66.02 63.86 1bld s SER 73 CO -0.01 -0.41 0.57 -0.63 0.41 0.00 0.00 173.24 173.17 1bld s ILE 74 N 2.34 4.81 -0.03 1.44 1.01 -1.25 -0.33 121.20 129.19 1bld s ILE 74 Ca 0.19 0.92 -0.08 0.00 0.00 0.00 0.00 60.65 61.68 1bld s ILE 74 Cb -0.16 -3.77 0.01 0.00 0.01 0.00 0.00 42.46 38.56 1bld s ILE 74 CO 0.12 0.27 0.18 -0.75 0.00 0.00 0.00 174.94 174.77 1bld s LYS 75 N -1.86 0.40 -0.12 2.79 2.20 -0.25 -4.03 119.74 118.86 1bld s LYS 75 Ca 0.37 -0.10 -0.16 0.00 -0.36 0.00 0.00 55.97 55.73 1bld s LYS 75 Cb -0.16 0.18 -0.05 0.00 -1.51 0.00 0.00 37.83 36.29 1bld s LYS 75 CO 0.19 -0.09 0.38 0.20 -0.36 0.00 0.00 175.35 175.68 1bld s GLY 76 N -0.77 2.32 0.00 5.54 0.00 0.19 0.89 107.32 115.49 1bld s GLY 76 Ca -0.09 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.32 1bld s GLY 76 CO 0.01 0.52 0.03 -0.62 0.00 0.00 0.00 173.10 173.05 1bld n VAL 77 N 3.36 0.00 0.18 1.40 0.31 -1.18 0.66 118.33 123.06 1bld n VAL 77 Ca -0.10 0.10 0.17 0.00 -0.01 0.00 0.00 64.34 64.50 1bld n VAL 77 Cb 0.52 -0.24 0.66 0.00 -0.91 0.00 0.00 33.84 33.86 1bld n VAL 77 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1bld h SER 78 N 0.00 0.00 0.60 4.52 0.87 -1.83 0.73 113.55 118.44 1bld h SER 78 Ca 0.00 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.36 1bld h SER 78 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1bld h SER 78 CO 0.00 0.00 -1.55 0.00 -0.53 0.00 0.00 176.83 174.75 1bld n ALA 79 N -2.06 1.85 -3.78 6.23 0.00 -1.25 -4.91 120.51 116.59 1bld n ALA 79 Ca 0.05 -0.63 -0.25 0.00 0.00 0.00 0.00 53.44 52.61 1bld n ALA 79 Cb 0.68 -0.89 0.02 0.00 0.00 0.00 0.00 19.45 19.26 1bld n ALA 79 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1bld n ASN 80 N -2.89 -1.78 -3.75 0.00 4.13 0.25 -4.95 115.26 106.27 1bld n ASN 80 Ca -0.12 -0.93 -0.13 0.00 1.68 0.00 0.00 54.58 55.08 1bld n ASN 80 Cb 0.89 -3.58 -0.09 0.00 -1.54 0.00 0.00 39.78 35.46 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 -6.15 0.62 -0.07 3.52 0.52 -1.16 -4.62 118.95 111.61 1bld s ARG 81 Ca 0.11 -0.03 -0.18 0.00 -0.52 0.00 0.00 55.73 55.11 1bld s ARG 81 Cb -0.03 0.28 -0.05 0.00 0.52 0.00 0.00 34.95 35.67 1bld s ARG 81 CO 0.85 -0.16 0.49 0.71 0.02 0.00 0.00 175.30 177.21 1bld s TYR 82 N -0.98 3.58 0.56 -0.53 2.02 0.16 -0.64 117.35 121.52 1bld s TYR 82 Ca -0.10 0.97 -0.21 0.00 -0.37 0.00 0.00 57.07 57.36 1bld s TYR 82 Cb -0.04 -2.52 -0.04 0.00 -0.40 0.00 0.00 41.96 38.95 1bld s TYR 82 CO 0.04 0.29 1.28 -1.17 -1.57 0.00 0.00 175.55 174.41 1bld s LEU 83 N 0.17 3.80 -0.15 -1.29 2.96 -1.26 -2.35 118.68 120.56 1bld s LEU 83 Ca 0.27 2.57 -0.09 0.00 -0.22 0.00 0.00 54.13 56.65 1bld s LEU 83 Cb -0.16 -4.40 0.05 0.00 0.50 0.00 0.00 46.19 42.18 1bld s LEU 83 CO 0.12 -1.52 0.36 0.00 -1.32 0.00 0.00 176.35 173.99 1bld s ALA 84 N -1.43 -0.90 -0.17 5.97 0.00 -0.29 -3.98 121.76 120.96 1bld s ALA 84 Ca 0.73 1.27 -0.09 0.00 0.00 0.00 0.00 51.96 53.88 1bld s ALA 84 Cb -0.35 -0.77 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 1bld s ALA 84 CO 0.41 -0.22 0.12 1.41 0.00 0.00 0.00 175.76 177.47 1bld s MET 85 N 1.03 3.93 0.58 0.00 1.75 -1.22 -1.71 119.30 123.67 1bld s MET 85 Ca -0.07 -0.23 -0.01 0.00 -1.25 0.00 0.00 55.69 54.14 1bld s MET 85 Cb -0.07 -3.31 0.04 0.00 2.84 0.00 0.00 34.83 34.33 1bld s MET 85 CO -0.08 0.42 0.83 0.15 -0.65 0.00 0.00 175.02 175.69 1bld s LYS 86 N -0.01 2.51 0.41 4.11 -0.14 -0.85 -4.92 119.74 120.84 1bld s LYS 86 Ca 0.09 -0.59 0.22 0.00 -1.36 0.00 0.00 55.97 54.33 1bld s LYS 86 Cb -0.11 -2.40 0.66 0.00 -1.68 0.00 0.00 37.83 34.29 1bld s LYS 86 CO -0.00 -0.81 1.71 1.05 -0.76 0.00 0.00 175.35 176.54 1bld h GLU 87 N -0.08 0.00 0.00 1.68 4.11 -1.99 -2.67 114.58 115.63 1bld h GLU 87 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1bld h GLU 87 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1bld h GLU 87 CO 0.55 0.26 0.00 -0.40 0.07 0.00 0.00 179.01 179.48 1bld n ASP 88 N -3.30 0.00 0.00 3.06 5.68 -1.26 -4.85 116.55 115.88 1bld n ASP 88 Ca 0.01 -0.38 0.00 0.00 -0.50 0.00 0.00 54.79 53.92 1bld n ASP 88 Cb 0.51 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 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 1.10 0.76 3.65 6.12 0.00 -1.01 -4.76 105.19 111.05 1bld n GLY 89 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.64 4.16 -0.04 1.61 0.52 -1.26 -4.40 118.95 118.90 1bld s ARG 90 Ca 0.00 1.23 -0.18 0.00 -0.52 0.00 0.00 55.73 56.27 1bld s ARG 90 Cb 0.00 -3.69 -0.05 0.00 0.52 0.00 0.00 34.95 31.72 1bld s ARG 90 CO 0.00 -0.77 0.49 -0.51 0.02 0.00 0.00 175.30 174.53 1bld s LEU 91 N 3.45 4.39 0.00 2.53 1.02 -1.26 -2.01 118.68 126.79 1bld s LEU 91 Ca 0.45 0.97 0.01 0.00 0.02 0.00 0.00 54.13 55.58 1bld s LEU 91 Cb -0.14 -2.73 -0.00 0.00 0.02 0.00 0.00 46.19 43.34 1bld s LEU 91 CO 0.11 0.14 0.18 0.00 0.02 0.00 0.00 176.35 176.80 1bld n LEU 92 N 2.76 0.00 -4.08 1.79 -0.00 -0.69 -4.50 117.00 112.28 1bld n LEU 92 Ca -0.09 -1.27 -0.10 0.00 -0.00 0.00 0.00 56.01 54.55 1bld n LEU 92 Cb 0.52 0.97 -0.11 0.00 -0.00 0.00 0.00 43.42 44.79 1bld n LEU 92 CO 0.41 -0.26 -0.38 0.00 -0.00 0.00 0.00 177.39 177.16 1bld s ALA 93 N -2.25 0.56 0.23 1.47 0.00 -1.21 -1.14 121.76 119.42 1bld s ALA 93 Ca 0.14 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 51.07 1bld s ALA 93 Cb 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 1bld s ALA 93 CO 0.10 -0.18 0.30 -1.12 0.00 0.00 0.00 175.76 174.87 1bld s SER 94 N -2.20 0.05 0.05 0.00 0.01 -0.99 -4.82 113.70 105.80 1bld s SER 94 Ca -0.02 -1.17 -0.03 0.00 1.31 0.00 0.00 55.95 56.03 1bld s SER 94 Cb -0.02 0.49 -0.28 0.00 0.21 0.00 0.00 66.02 66.41 1bld s SER 94 CO -0.03 -0.99 1.05 0.11 0.41 0.00 0.00 173.24 173.78 1bld h LYS 95 N 2.43 0.25 -5.94 12.44 1.57 -1.89 0.46 116.57 125.89 1bld h LYS 95 Ca -0.31 -0.43 -0.57 0.00 -1.87 0.00 0.00 60.65 57.46 1bld h LYS 95 Cb 1.25 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 33.66 1bld h LYS 95 CO 0.44 1.17 -0.06 -1.12 -0.57 0.00 0.00 179.45 179.31 1bld s SER 96 N -7.07 6.86 0.82 0.86 0.01 -1.26 -4.59 113.70 109.33 1bld s SER 96 Ca -0.05 1.02 -0.11 0.00 1.31 0.00 0.00 55.95 58.12 1bld s SER 96 Cb 0.07 -2.33 0.08 0.00 0.21 0.00 0.00 66.02 64.05 1bld s SER 96 CO 0.87 0.05 1.09 0.54 0.41 0.00 0.00 173.24 176.20 1bld s VAL 97 N 0.18 3.03 0.11 3.43 0.11 -1.26 -4.76 120.40 121.24 1bld s VAL 97 Ca 0.30 0.33 -0.00 0.00 -2.93 0.00 0.00 61.98 59.68 1bld s VAL 97 Cb -0.17 -2.97 0.00 0.00 -1.53 0.00 0.00 36.38 31.71 1bld s VAL 97 CO 0.15 -0.44 0.15 0.35 -3.33 0.00 0.00 175.10 171.98 1bld n THR 98 N -3.56 0.00 0.63 5.04 -2.24 -1.26 -5.02 114.28 107.87 1bld n THR 98 Ca 0.07 -0.61 0.13 0.00 -2.27 0.00 0.00 64.05 61.38 1bld n THR 98 Cb 0.55 0.36 0.43 0.00 -2.10 0.00 0.00 70.33 69.57 1bld n THR 98 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1bld n ASP 99 N -2.07 0.74 -0.72 3.42 8.00 -1.26 -2.83 116.55 121.84 1bld n ASP 99 Ca 0.01 0.58 0.08 0.00 0.71 0.00 0.00 54.79 56.16 1bld n ASP 99 Cb 0.19 -0.77 0.22 0.00 -0.02 0.00 0.00 41.12 40.74 1bld n ASP 99 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1bld n GLU 100 N -2.20 1.91 0.00 -1.24 1.02 -1.26 -3.72 120.64 115.15 1bld n GLU 100 Ca 0.05 -1.41 0.12 0.00 -0.02 0.00 0.00 57.16 55.91 1bld n GLU 100 Cb 0.40 -1.34 0.26 0.00 -0.02 0.00 0.00 31.44 30.75 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 -2.59 3.47 -0.15 0.00 0.08 -1.24 -3.86 117.98 113.69 1bld s PHE 102 Ca 0.21 0.55 -0.06 0.00 0.12 0.00 0.00 56.93 57.74 1bld s PHE 102 Cb 0.19 -2.01 0.07 0.00 -0.57 0.00 0.00 43.02 40.69 1bld s PHE 102 CO 0.57 0.30 0.33 -0.06 -0.10 0.00 0.00 175.22 176.26 1bld s PHE 103 N -1.90 -0.56 -0.19 0.36 0.40 -1.25 -3.92 117.98 110.92 1bld s PHE 103 Ca 0.42 1.18 -0.32 0.00 -0.60 0.00 0.00 56.93 57.60 1bld s PHE 103 Cb -0.11 0.12 -0.10 0.00 0.51 0.00 0.00 43.02 43.44 1bld s PHE 103 CO 0.28 -0.39 2.07 1.19 0.70 0.00 0.00 175.22 179.07 1bld n PHE 104 N 5.18 2.04 -3.03 0.36 3.72 -0.37 -4.17 117.46 121.18 1bld n PHE 104 Ca -0.10 0.01 -0.44 0.00 -0.05 0.00 0.00 57.45 56.87 1bld n PHE 104 Cb 0.50 -2.66 -0.03 0.00 -0.94 0.00 0.00 39.48 36.35 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 5.36 3.33 -0.28 -1.08 2.12 -1.26 -1.85 118.70 125.04 1bld s GLU 105 Ca 1.00 -1.55 -0.17 0.00 0.36 0.00 0.00 54.97 54.61 1bld s GLU 105 Cb -0.62 -4.51 -0.03 0.00 0.26 0.00 0.00 34.13 29.23 1bld s GLU 105 CO 0.46 -1.64 0.45 0.50 -0.54 0.00 0.00 175.26 174.49 1bld s ARG 106 N 2.58 3.95 -0.22 4.30 3.52 -0.71 -4.91 118.95 127.46 1bld s ARG 106 Ca 0.22 0.09 -0.17 0.00 -0.13 0.00 0.00 55.73 55.74 1bld s ARG 106 Cb -0.14 -3.69 -0.03 0.00 -1.56 0.00 0.00 34.95 29.53 1bld s ARG 106 CO -0.01 -0.38 0.45 -1.17 -0.81 0.00 0.00 175.30 173.39 1bld s LEU 107 N 2.21 4.12 0.45 -0.88 0.20 -1.26 -1.59 118.68 121.93 1bld s LEU 107 Ca 0.18 0.54 -0.02 0.00 0.69 0.00 0.00 54.13 55.51 1bld s LEU 107 Cb -0.16 -2.59 -0.02 0.00 -0.43 0.00 0.00 46.19 43.00 1bld s LEU 107 CO 0.10 -0.16 0.70 -1.61 -0.29 0.00 0.00 176.35 175.09 1bld s GLU 108 N 1.67 3.33 0.00 1.98 2.02 -0.98 -4.92 118.70 121.80 1bld s GLU 108 Ca 0.20 -0.16 0.08 0.00 0.02 0.00 0.00 54.97 55.11 1bld s GLU 108 Cb -0.15 -2.50 0.47 0.00 0.10 0.00 0.00 34.13 32.05 1bld s GLU 108 CO 0.09 -0.17 0.88 -1.13 0.02 0.00 0.00 175.26 174.95 1bld n SER 109 N -2.11 0.00 -1.43 -0.19 3.41 -1.26 -2.39 113.62 109.65 1bld n SER 109 Ca -0.00 -0.54 0.04 0.00 -0.26 0.00 0.00 58.87 58.10 1bld n SER 109 Cb 0.56 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.78 1bld n SER 109 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bld n ASN 110 N -0.81 4.10 0.00 4.04 4.05 -1.26 -4.85 115.26 120.53 1bld n ASN 110 Ca 0.06 -2.62 0.00 0.00 0.45 0.00 0.00 54.58 52.47 1bld n ASN 110 Cb 0.03 -0.63 0.00 0.00 1.23 0.00 0.00 39.78 40.41 1bld n ASN 110 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1bld n ASN 111 N 0.38 0.00 -4.87 1.20 4.13 -1.01 -4.91 115.26 110.18 1bld n ASN 111 Ca 0.19 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.08 1bld n ASN 111 Cb 0.89 -2.21 -0.06 0.00 -1.54 0.00 0.00 39.78 36.86 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 -1.14 3.62 0.46 3.10 2.02 -1.26 -4.92 117.35 119.22 1bld s TYR 112 Ca 0.00 0.63 0.02 0.00 -0.37 0.00 0.00 57.07 57.34 1bld s TYR 112 Cb 0.00 -2.02 0.01 0.00 -0.40 0.00 0.00 41.96 39.55 1bld s TYR 112 CO 0.00 0.69 0.66 -0.80 -1.57 0.00 0.00 175.55 174.53 1bld s ASN 113 N -1.23 5.71 -0.18 2.29 0.02 -0.24 -2.32 114.94 118.99 1bld s ASN 113 Ca 0.20 0.12 -0.04 0.00 -1.02 0.00 0.00 52.86 52.12 1bld s ASN 113 Cb -0.13 -1.29 0.08 0.00 0.02 0.00 0.00 41.25 39.92 1bld s ASN 113 CO 0.09 -0.77 0.21 0.42 0.02 0.00 0.00 177.10 177.07 1bld s THR 114 N -2.54 -0.30 -0.01 1.60 -4.23 -0.62 -1.47 115.64 108.06 1bld s THR 114 Ca 0.50 -0.03 -0.19 0.00 -1.18 0.00 0.00 61.69 60.79 1bld s THR 114 Cb -0.10 -0.60 -0.05 0.00 1.34 0.00 0.00 72.50 73.08 1bld s THR 114 CO 0.37 -0.14 0.55 -0.31 -0.54 0.00 0.00 174.62 174.55 1bld s TYR 115 N 2.31 3.68 0.05 3.99 2.02 -1.26 -1.74 117.35 126.40 1bld s TYR 115 Ca 0.06 1.15 0.06 0.00 -0.37 0.00 0.00 57.07 57.96 1bld s TYR 115 Cb -0.15 -2.55 -0.02 0.00 -0.40 0.00 0.00 41.96 38.84 1bld s TYR 115 CO -0.11 0.40 -0.18 0.50 -1.57 0.00 0.00 175.55 174.59 1bld s ARG 116 N -0.32 1.16 0.46 -0.62 3.52 -0.77 -2.56 118.95 119.81 1bld s ARG 116 Ca 0.29 -0.88 -0.23 0.00 -0.13 0.00 0.00 55.73 54.78 1bld s ARG 116 Cb -0.18 -1.24 -0.07 0.00 -1.56 0.00 0.00 34.95 31.90 1bld s ARG 116 CO 0.16 0.31 1.19 0.45 -0.81 0.00 0.00 175.30 176.60 1bld s SER 117 N -1.23 6.13 0.00 -2.12 0.15 -1.07 -1.24 113.70 114.32 1bld s SER 117 Ca 0.05 2.36 0.00 0.00 0.70 0.00 0.00 55.95 59.06 1bld s SER 117 Cb -0.08 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1bld s SER 117 CO 0.02 -0.95 0.00 -1.14 1.20 0.00 0.00 173.24 172.37 1bld n ARG 118 N -0.46 0.00 0.02 5.44 0.63 -1.25 -2.60 116.66 118.44 1bld n ARG 118 Ca 0.07 0.23 0.01 0.00 -0.92 0.00 0.00 57.85 57.24 1bld n ARG 118 Cb 0.47 -0.68 0.05 0.00 0.45 0.00 0.00 32.46 32.75 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 -1.95 0.01 -3.07 -0.14 4.81 -1.26 -2.25 118.16 114.30 1bld n LYS 119 Ca 0.00 0.31 -0.19 0.00 -0.87 0.00 0.00 58.31 57.55 1bld n LYS 119 Cb 0.00 -1.79 -0.03 0.00 0.02 0.00 0.00 35.03 33.23 1bld n LYS 119 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1bld n TYR 120 N -1.37 -1.09 0.44 5.64 4.01 -1.26 -4.93 117.16 118.59 1bld n TYR 120 Ca -0.00 -3.12 0.02 0.00 -0.16 0.00 0.00 57.90 54.64 1bld n TYR 120 Cb 0.25 0.15 0.10 0.00 -0.31 0.00 0.00 39.34 39.54 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 1.34 0.00 0.87 -0.72 -2.24 -0.96 -2.01 114.28 110.56 1bld n THR 121 Ca 0.18 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 62.03 1bld n THR 121 Cb 0.57 -0.64 0.19 0.00 -2.10 0.00 0.00 70.33 68.35 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 -0.75 1.95 -3.75 3.42 7.64 -1.26 -4.85 113.62 116.02 1bld n SER 122 Ca 0.03 -1.96 -0.13 0.00 1.01 0.00 0.00 58.87 57.81 1bld n SER 122 Cb 0.01 -0.23 -0.10 0.00 -1.01 0.00 0.00 64.21 62.88 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 -1.54 -0.38 0.34 1.43 0.51 -0.85 -4.99 118.94 113.46 1bld s TRP 123 Ca 0.26 0.92 0.07 0.00 -2.12 0.00 0.00 56.10 55.23 1bld s TRP 123 Cb 0.13 0.14 -0.02 0.00 -0.81 0.00 0.00 33.47 32.91 1bld s TRP 123 CO 0.18 -0.22 0.37 0.71 -0.51 0.00 0.00 176.95 177.48 1bld s TYR 124 N 0.02 2.95 -0.25 -1.98 1.51 -1.26 -2.60 117.35 115.74 1bld s TYR 124 Ca -0.02 -0.30 -0.16 0.00 -1.01 0.00 0.00 57.07 55.59 1bld s TYR 124 Cb -0.03 -1.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.88 1bld s TYR 124 CO 0.01 0.08 0.41 0.08 -1.11 0.00 0.00 175.55 175.02 1bld s VAL 125 N -2.28 5.15 -0.13 0.71 1.01 -1.06 -4.73 120.40 119.08 1bld s VAL 125 Ca 0.43 0.68 -0.20 0.00 0.00 0.00 0.00 61.98 62.89 1bld s VAL 125 Cb -0.07 -3.74 0.05 0.00 0.00 0.00 0.00 36.38 32.62 1bld s VAL 125 CO 0.28 0.16 0.52 0.00 0.00 0.00 0.00 175.10 176.06 1bld s ALA 126 N 1.94 -1.30 0.39 5.51 0.00 -1.26 -4.51 121.76 122.53 1bld s ALA 126 Ca 0.17 1.20 0.05 0.00 0.00 0.00 0.00 51.96 53.39 1bld s ALA 126 Cb -0.15 -0.47 0.06 0.00 0.00 0.00 0.00 23.12 22.56 1bld s ALA 126 CO 0.09 -0.28 0.51 1.28 0.00 0.00 0.00 175.76 177.36 1bld n LEU 127 N 2.05 0.00 0.00 0.00 4.77 -1.26 -3.44 117.00 119.11 1bld n LEU 127 Ca -0.16 -1.50 0.00 0.00 -0.03 0.00 0.00 56.01 54.32 1bld n LEU 127 Cb 0.56 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1bld n LEU 127 CO 0.15 -0.66 0.00 0.29 -1.33 0.00 0.00 177.39 175.84 1bld n LYS 128 N -1.83 0.00 0.00 3.23 4.76 -1.03 -4.70 118.16 118.59 1bld n LYS 128 Ca 0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1bld n LYS 128 Cb 0.37 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.56 1bld n LYS 128 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1bld n ARG 129 N 0.00 0.00 0.00 1.97 1.85 -1.26 -4.80 116.66 114.42 1bld n ARG 129 Ca 0.00 -0.27 0.00 0.00 -1.00 0.00 0.00 57.85 56.58 1bld n ARG 129 Cb 0.00 -0.34 0.00 0.00 -1.05 0.00 0.00 32.46 31.07 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 0.00 0.47 -0.20 8.89 5.66 -1.26 -4.96 114.28 122.89 1bld n THR 130 Ca 0.00 -0.60 0.00 0.00 -3.05 0.00 0.00 64.05 60.40 1bld n THR 130 Cb 0.45 0.86 0.00 0.00 -1.55 0.00 0.00 70.33 70.09 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 -0.24 0.90 3.92 1.09 0.00 -1.26 -4.91 105.19 104.70 1bld n GLY 131 Ca 0.00 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.69 3.55 -0.25 1.61 -1.52 -1.26 -2.19 119.66 118.91 1bld s GLN 132 Ca 0.00 -0.22 -0.19 0.00 -1.95 0.00 0.00 55.36 53.01 1bld s GLN 132 Cb 0.00 -2.71 -0.02 0.00 -0.22 0.00 0.00 33.01 30.06 1bld s GLN 132 CO 0.00 0.24 0.55 1.52 -0.25 0.00 0.00 175.29 177.36 1bld s TYR 133 N -2.11 3.28 0.36 0.91 1.13 -1.26 -2.46 117.35 117.20 1bld s TYR 133 Ca 0.41 0.71 -0.27 0.00 -1.41 0.00 0.00 57.07 56.51 1bld s TYR 133 Cb -0.10 -2.76 -0.09 0.00 -1.10 0.00 0.00 41.96 37.91 1bld s TYR 133 CO 0.32 -0.29 1.17 0.21 -2.51 0.00 0.00 175.55 174.45 1bld s LYS 134 N 2.34 4.24 0.00 -3.49 2.20 -1.22 -4.90 119.74 118.90 1bld s LYS 134 Ca 0.23 1.88 0.00 0.00 -0.36 0.00 0.00 55.97 57.72 1bld s LYS 134 Cb -0.16 -2.84 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 1bld s LYS 134 CO 0.09 -0.17 0.00 -0.11 -0.36 0.00 0.00 175.35 174.80 1bld n LEU 135 N 0.43 0.00 -0.07 5.43 7.94 -1.26 -4.87 117.00 124.60 1bld n LEU 135 Ca 0.02 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.80 1bld n LEU 135 Cb 0.45 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.34 1bld n LEU 135 CO 0.52 -0.14 -0.98 0.61 -1.11 0.00 0.00 177.39 176.29 1bld n GLY 136 N 0.93 -0.21 0.31 -3.96 0.00 -1.26 -4.18 105.19 96.81 1bld n GLY 136 Ca 0.00 -0.09 0.18 0.00 0.00 0.00 0.00 46.02 46.12 1bld n GLY 136 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bld h SER 137 N -0.20 0.00 0.80 1.61 4.64 -1.94 -0.07 113.55 118.39 1bld h SER 137 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1bld h SER 137 Cb 1.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1bld h SER 137 CO -0.12 0.02 -0.77 0.11 -0.87 0.00 0.00 176.83 175.20 1bld h LYS 138 N 0.00 0.00 -6.61 4.77 1.57 -1.95 -3.46 116.57 110.89 1bld h LYS 138 Ca -0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 1bld h LYS 138 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1bld h LYS 138 CO 0.00 0.00 -0.05 0.95 -0.57 0.00 0.00 179.45 179.78 1bld s THR 139 N -3.20 4.94 0.00 -0.16 -4.23 -0.04 -5.01 115.64 107.94 1bld s THR 139 Ca 0.05 0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.82 1bld s THR 139 Cb 0.13 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.24 1bld s THR 139 CO 0.75 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 1bld n GLY 140 N -1.03 -0.91 3.49 3.99 0.00 -1.26 -4.66 105.19 104.82 1bld n GLY 140 Ca -0.00 -1.26 -0.28 0.00 0.00 0.00 0.00 46.02 44.47 1bld n GLY 140 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bld s PRO 141 N -2.00 -0.96 0.00 1.61 0.01 -1.26 -3.66 135.00 128.74 1bld s PRO 141 Ca 0.00 0.88 0.00 0.00 0.01 0.00 0.00 61.00 61.89 1bld s PRO 141 Cb 0.00 -1.55 0.00 0.00 0.01 0.00 0.00 34.50 32.96 1bld s PRO 141 CO 0.00 -3.76 0.00 0.41 0.01 0.00 0.00 177.00 173.66 1bld n GLY 142 N 0.86 2.13 3.74 0.52 0.00 -1.26 -4.97 105.19 106.21 1bld n GLY 142 Ca 0.03 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 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 4.25 0.00 1.61 -0.21 -1.24 -4.87 119.66 119.20 1bld s GLN 143 Ca 0.00 2.33 0.15 0.00 0.02 0.00 0.00 55.36 57.87 1bld s GLN 143 Cb 0.00 -3.11 0.75 0.00 1.00 0.00 0.00 33.01 31.65 1bld s GLN 143 CO 0.00 -0.46 1.50 1.63 -2.12 0.00 0.00 175.29 175.84 1bld n LYS 144 N 2.51 1.28 0.00 2.91 5.02 -1.26 -3.76 118.16 124.85 1bld n LYS 144 Ca 0.08 -0.43 0.04 0.00 -2.02 0.00 0.00 58.31 55.98 1bld n LYS 144 Cb 0.40 -1.27 0.18 0.00 -0.02 0.00 0.00 35.03 34.32 1bld n LYS 144 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bld n ALA 145 N -0.31 1.47 1.10 7.82 0.00 -1.26 -0.94 120.51 128.40 1bld n ALA 145 Ca 0.12 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1bld n ALA 145 Cb 0.15 -1.12 0.18 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.36 0.00 -2.57 0.00 -5.35 -1.25 -4.34 119.36 104.50 1bld n ILE 146 Ca 0.03 -0.12 -0.42 0.00 -0.27 0.00 0.00 62.75 61.97 1bld n ILE 146 Cb 0.07 0.68 -0.02 0.00 -1.74 0.00 0.00 39.64 38.63 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 -2.67 3.68 0.60 7.28 1.43 -0.11 -4.06 118.68 124.83 1bld s LEU 147 Ca 0.18 -1.94 -0.02 0.00 -1.03 0.00 0.00 54.13 51.31 1bld s LEU 147 Cb 0.18 -2.57 0.04 0.00 0.03 0.00 0.00 46.19 43.87 1bld s LEU 147 CO 0.62 -1.34 0.87 -0.36 0.23 0.00 0.00 176.35 176.37 1bld s PHE 148 N 4.59 2.93 -0.40 0.29 0.40 -0.54 -3.23 117.98 122.01 1bld s PHE 148 Ca 0.50 0.22 0.08 0.00 -0.60 0.00 0.00 56.93 57.12 1bld s PHE 148 Cb 0.02 -2.89 0.25 0.00 0.51 0.00 0.00 43.02 40.91 1bld s PHE 148 CO -0.01 -1.03 0.56 -0.11 0.70 0.00 0.00 175.22 175.32 1bld n LEU 149 N -2.56 -0.19 -4.57 -0.37 7.94 -0.59 -1.08 117.00 115.59 1bld n LEU 149 Ca 0.07 -4.53 -0.39 0.00 -1.11 0.00 0.00 56.01 50.06 1bld n LEU 149 Cb 0.60 0.66 -0.03 0.00 0.53 0.00 0.00 43.42 45.18 1bld n LEU 149 CO 0.48 2.06 1.89 -2.84 -1.11 0.00 0.00 177.39 177.87 1bld s PRO 150 N -0.95 2.53 -0.29 1.96 0.02 -1.26 -3.67 135.00 133.34 1bld s PRO 150 Ca 0.35 1.48 -0.13 0.00 0.02 0.00 0.00 61.00 62.71 1bld s PRO 150 Cb 0.18 -4.47 -0.04 0.00 0.02 0.00 0.00 34.50 30.18 1bld s PRO 150 CO -0.13 -2.79 0.30 -1.64 -0.33 0.00 0.00 177.00 172.41 1bld s MET 151 N 7.40 3.90 -0.12 5.54 -1.94 -1.09 -4.89 119.30 128.11 1bld s MET 151 Ca 0.93 -0.19 -0.29 0.00 -1.71 0.00 0.00 55.69 54.43 1bld s MET 151 Cb -0.21 -3.69 -0.04 0.00 2.01 0.00 0.00 34.83 32.91 1bld s MET 151 CO 0.28 -0.28 1.53 0.45 -0.01 0.00 0.00 175.02 176.99 1bld s SER 152 N 1.70 6.70 -0.88 3.03 0.15 -1.26 -3.17 113.70 119.97 1bld s SER 152 Ca 0.11 1.96 -0.07 0.00 0.70 0.00 0.00 55.95 58.65 1bld s SER 152 Cb -0.16 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.56 1bld s SER 152 CO 0.11 -0.93 2.95 0.00 1.20 0.00 0.00 173.24 176.56 1bld n ALA 153 N 7.20 6.84 -1.00 5.45 0.00 -1.22 -4.77 120.51 133.02 1bld n ALA 153 Ca 0.16 -3.13 0.00 0.00 0.00 0.00 0.00 53.44 50.47 1bld n ALA 153 Cb 0.44 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.20 1bld n ALA 153 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1bld n LYS 154 N 2.26 0.00 0.00 0.00 5.02 -1.26 -4.90 118.16 119.27 1bld n LYS 154 Ca 0.59 0.02 0.04 0.00 -2.02 0.00 0.00 58.31 56.94 1bld n LYS 154 Cb 0.48 -0.61 0.25 0.00 -0.02 0.00 0.00 35.03 35.13 1bld n LYS 154 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31