#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bro h ASP 4 N 0.00 0.67 0.26 0.55 3.32 -2.05 -2.84 116.42 116.34 3bro h ASP 4 Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3bro h ASP 4 Cb 0.00 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 3bro h ASP 4 CO 0.00 0.43 -0.33 0.25 -1.72 0.00 0.00 179.24 177.87 3bro h LEU 5 N 0.76 -0.93 -0.62 1.55 5.85 -2.05 -1.34 115.31 118.54 3bro h LEU 5 Ca 0.31 0.09 0.10 0.00 0.84 0.00 0.00 57.88 59.23 3bro h LEU 5 Cb 0.26 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 41.54 3bro h LEU 5 CO -0.11 -0.45 0.22 1.23 -0.34 0.00 0.00 178.44 178.99 3bro h GLY 6 N -0.65 0.87 0.97 3.75 0.00 -1.98 0.22 103.07 106.25 3bro h GLY 6 Ca -0.00 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.22 3bro h GLY 6 CO -0.11 -0.04 0.13 -0.09 0.00 0.00 0.00 176.54 176.44 3bro h ARG 7 N 0.39 0.27 -0.44 4.80 2.43 -1.30 -2.38 114.38 118.16 3bro h ARG 7 Ca 0.32 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.36 3bro h ARG 7 Cb 0.42 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 3bro h ARG 7 CO -0.33 0.18 -0.17 -0.07 -1.51 0.00 0.00 179.97 178.06 3bro h LEU 8 N 0.28 0.84 -0.44 3.80 3.38 -0.69 -2.31 115.31 120.17 3bro h LEU 8 Ca 0.08 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.78 3bro h LEU 8 Cb -0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3bro h LEU 8 CO -0.03 1.01 0.28 0.25 0.09 0.00 0.00 178.44 180.03 3bro h LEU 9 N 0.74 0.46 -0.49 1.67 5.85 -0.45 -0.70 115.31 122.39 3bro h LEU 9 Ca 0.11 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3bro h LEU 9 Cb 0.69 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 3bro h LEU 9 CO 0.05 0.33 0.19 0.50 -0.34 0.00 0.00 178.44 179.17 3bro h LYS 10 N 0.56 0.74 -0.06 1.25 3.64 -1.29 -1.62 116.57 119.78 3bro h LYS 10 Ca 0.17 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3bro h LYS 10 Cb -0.02 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3bro h LYS 10 CO -0.06 0.66 0.03 0.82 -2.27 0.00 0.00 179.45 178.63 3bro h ILE 11 N 0.65 1.10 -0.82 2.00 2.04 -1.19 -1.52 117.51 119.77 3bro h ILE 11 Ca 0.16 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 3bro h ILE 11 Cb 0.21 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 3bro h ILE 11 CO -0.01 0.09 0.43 0.00 0.00 0.00 0.00 178.15 178.65 3bro h ALA 12 N 0.91 1.05 -0.60 1.87 0.00 -1.06 0.31 119.26 121.75 3bro h ALA 12 Ca 0.02 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3bro h ALA 12 Cb 0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3bro h ALA 12 CO -0.00 0.59 0.09 1.03 0.00 0.00 0.00 179.25 180.95 3bro h SER 13 N 1.15 0.96 -0.07 0.00 0.87 -1.25 -3.17 113.55 112.04 3bro h SER 13 Ca 0.29 -0.26 -0.18 0.00 -1.23 0.00 0.00 61.79 60.40 3bro h SER 13 Cb 0.07 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.77 3bro h SER 13 CO -0.04 0.98 -0.60 0.78 -0.53 0.00 0.00 176.83 177.42 3bro h ASN 14 N 0.90 0.76 0.00 6.23 2.35 -0.93 -1.70 115.58 123.19 3bro h ASN 14 Ca 0.18 -0.43 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 3bro h ASN 14 Cb 0.43 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3bro h ASN 14 CO 0.01 1.18 0.00 0.00 -1.65 0.00 0.00 177.43 176.98 3bro n GLN 15 N -3.96 0.00 0.00 0.81 6.02 0.07 -1.30 117.38 119.02 3bro n GLN 15 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 3bro n GLN 15 Cb 0.64 -1.02 0.00 0.00 1.02 0.00 0.00 30.24 30.88 3bro n GLN 15 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3bro n SER 17 N 0.54 0.00 0.06 1.08 3.41 -0.64 -1.54 113.62 116.53 3bro n SER 17 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 3bro n SER 17 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 3bro n SER 17 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3bro h THR 18 N 0.00 1.02 -0.77 6.66 2.02 -1.46 -1.69 112.91 118.69 3bro h THR 18 Ca 0.00 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 3bro h THR 18 Cb 0.00 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 3bro h THR 18 CO 0.00 0.06 0.38 0.03 0.37 0.00 0.00 175.52 176.36 3bro h ARG 19 N -0.19 1.10 -0.70 6.66 3.08 -1.55 -2.09 114.38 120.70 3bro h ARG 19 Ca -0.01 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 59.84 3bro h ARG 19 Cb 0.16 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 3bro h ARG 19 CO 0.01 0.85 0.28 0.74 -1.07 0.00 0.00 179.97 180.79 3bro h PHE 20 N 1.08 1.07 -0.57 3.04 -1.00 -1.80 -2.08 116.94 116.67 3bro h PHE 20 Ca 0.26 -0.08 -0.10 0.00 2.81 0.00 0.00 57.97 60.87 3bro h PHE 20 Cb 0.11 -0.32 -0.02 0.00 3.61 0.00 0.00 35.95 39.33 3bro h PHE 20 CO 0.01 0.82 -0.02 -0.44 -1.61 0.00 0.00 178.31 177.07 3bro h ASP 21 N 1.00 0.99 -0.28 2.17 3.32 -1.05 -0.40 116.42 122.17 3bro h ASP 21 Ca 0.23 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3bro h ASP 21 Cb 0.21 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3bro h ASP 21 CO -0.02 1.06 0.13 0.40 -1.72 0.00 0.00 179.24 179.09 3bro h ILE 22 N 0.92 1.16 -0.33 0.35 2.04 -1.06 -1.33 117.51 119.26 3bro h ILE 22 Ca 0.16 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 3bro h ILE 22 Cb 0.56 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3bro h ILE 22 CO 0.03 0.16 0.18 0.15 0.00 0.00 0.00 178.15 178.67 3bro h PHE 23 N 0.32 0.46 -0.20 1.37 3.57 -1.20 -3.26 116.94 118.00 3bro h PHE 23 Ca 0.10 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.44 3bro h PHE 23 Cb 0.14 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3bro h PHE 23 CO -0.02 0.37 -0.48 0.00 -2.23 0.00 0.00 178.31 175.95 3bro h ALA 24 N 1.04 0.78 -0.15 2.41 0.00 -0.96 -2.61 119.26 119.77 3bro h ALA 24 Ca 0.12 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 54.59 3bro h ALA 24 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3bro h ALA 24 CO -0.02 0.67 0.13 -0.22 0.00 0.00 0.00 179.25 179.81 3bro h LYS 25 N 0.43 0.00 0.00 0.00 3.64 -0.82 -0.33 116.57 119.49 3bro h LYS 25 Ca 0.02 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3bro h LYS 25 Cb 1.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3bro h LYS 25 CO 0.09 0.00 -0.08 0.87 -2.27 0.00 0.00 179.45 178.06 3bro h LYS 26 N 0.00 0.00 -0.28 1.90 1.57 -1.57 -2.59 116.57 115.61 3bro h LYS 26 Ca 0.07 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3bro h LYS 26 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3bro h LYS 26 CO -0.00 0.08 0.00 0.66 -0.57 0.00 0.00 179.45 179.62 3bro n TYR 27 N -3.59 0.99 -3.14 -1.35 4.01 -0.24 -4.96 117.16 108.88 3bro n TYR 27 Ca -0.02 -1.02 -0.21 0.00 -0.16 0.00 0.00 57.90 56.50 3bro n TYR 27 Cb 0.19 -0.35 0.05 0.00 -0.31 0.00 0.00 39.34 38.92 3bro n TYR 27 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3bro n ASP 28 N -0.65 -5.80 -4.36 7.72 2.03 -0.97 -5.01 116.55 109.52 3bro n ASP 28 Ca 0.24 -0.34 -0.22 0.00 0.52 0.00 0.00 54.79 54.99 3bro n ASP 28 Cb 0.93 -4.55 -0.11 0.00 -0.72 0.00 0.00 41.12 36.67 3bro n ASP 28 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3bro s LEU 29 N -6.28 2.48 0.49 -2.67 1.43 -0.57 -4.99 118.68 108.57 3bro s LEU 29 Ca 0.37 -0.91 -0.07 0.00 -1.03 0.00 0.00 54.13 52.49 3bro s LEU 29 Cb -0.16 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.15 3bro s LEU 29 CO 0.45 -0.03 0.83 0.42 0.23 0.00 0.00 176.35 178.25 3bro s THR 30 N -2.22 4.85 0.20 5.49 -4.23 -1.26 -2.30 115.64 116.16 3bro s THR 30 Ca 0.19 0.40 -0.11 0.00 -1.18 0.00 0.00 61.69 60.99 3bro s THR 30 Cb -0.05 -3.84 0.12 0.00 1.34 0.00 0.00 72.50 70.07 3bro s THR 30 CO 0.08 -0.85 1.74 1.23 -0.54 0.00 0.00 174.62 176.28 3bro h GLY 31 N 0.30 0.75 0.98 3.99 0.00 -1.84 -2.61 103.07 104.64 3bro h GLY 31 Ca -0.46 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 3bro h GLY 31 CO 0.62 -0.02 0.26 -0.84 0.00 0.00 0.00 176.54 176.56 3bro h THR 32 N 0.36 1.16 0.00 4.70 2.02 -1.93 -1.41 112.91 117.80 3bro h THR 32 Ca 0.28 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3bro h THR 32 Cb 0.34 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3bro h THR 32 CO -0.29 0.17 0.00 0.00 0.37 0.00 0.00 175.52 175.77 3bro n GLN 33 N -4.69 0.00 0.00 6.66 6.02 -0.98 -2.17 117.38 122.21 3bro n GLN 33 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 3bro n GLN 33 Cb 0.08 -1.20 0.00 0.00 1.02 0.00 0.00 30.24 30.14 3bro n GLN 33 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3bro n THR 35 N 0.75 0.00 -0.02 5.09 -2.24 -0.53 -1.66 114.28 115.67 3bro n THR 35 Ca 0.00 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 3bro n THR 35 Cb 0.00 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 3bro n THR 35 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3bro h ILE 36 N 0.00 1.36 -0.40 2.28 1.08 -1.72 -1.47 117.51 118.64 3bro h ILE 36 Ca 0.00 -1.91 0.05 0.00 -0.39 0.00 0.00 64.86 62.61 3bro h ILE 36 Cb 0.00 2.24 -0.04 0.00 -3.07 0.00 0.00 36.82 35.94 3bro h ILE 36 CO 0.00 0.58 0.13 0.40 -0.69 0.00 0.00 178.15 178.57 3bro h ILE 37 N 0.16 0.87 -0.36 -0.67 2.04 -1.61 0.09 117.51 118.03 3bro h ILE 37 Ca -0.05 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 65.76 3bro h ILE 37 Cb 1.24 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 3bro h ILE 37 CO 0.12 0.05 0.09 -0.78 0.00 0.00 0.00 178.15 177.63 3bro h ASP 38 N 0.29 0.06 0.10 1.72 3.58 -1.81 0.14 116.42 120.49 3bro h ASP 38 Ca 0.18 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.68 3bro h ASP 38 Cb 0.17 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.28 3bro h ASP 38 CO -0.19 0.07 -0.05 0.22 -2.88 0.00 0.00 179.24 176.41 3bro h TYR 39 N 0.22 -0.12 -0.74 0.28 3.20 -0.81 -1.96 116.97 117.04 3bro h TYR 39 Ca 0.17 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 3bro h TYR 39 Cb 0.18 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 3bro h TYR 39 CO -0.17 -0.02 0.30 -0.07 -1.64 0.00 0.00 178.16 176.56 3bro h LEU 40 N -0.19 1.00 -1.24 2.82 3.38 -0.74 -2.36 115.31 117.98 3bro h LEU 40 Ca -0.01 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.83 3bro h LEU 40 Cb 0.15 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3bro h LEU 40 CO 0.02 0.88 0.52 -1.28 0.09 0.00 0.00 178.44 178.67 3bro h SER 41 N 1.07 0.89 0.57 -0.43 0.87 -0.61 -2.46 113.55 113.45 3bro h SER 41 Ca 0.25 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3bro h SER 41 Cb 0.19 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 3bro h SER 41 CO -0.02 0.64 -0.05 0.54 -0.53 0.00 0.00 176.83 177.40 3bro n ARG 42 N -4.42 0.41 -1.36 2.24 1.74 -0.75 -4.07 116.66 110.46 3bro n ARG 42 Ca 0.09 -0.06 0.02 0.00 -0.77 0.00 0.00 57.85 57.13 3bro n ARG 42 Cb 0.04 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 30.08 3bro n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3bro n ASN 43 N -1.24 1.62 0.20 0.55 3.02 -0.93 -4.81 115.26 113.67 3bro n ASN 43 Ca 0.13 -2.82 0.15 0.00 -0.03 0.00 0.00 54.58 52.01 3bro n ASN 43 Cb 0.27 -0.40 0.66 0.00 -0.61 0.00 0.00 39.78 39.69 3bro n ASN 43 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3bro h LYS 44 N 1.26 0.00 -0.84 3.52 1.57 -1.67 -2.63 116.57 117.77 3bro h LYS 44 Ca -0.09 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3bro h LYS 44 Cb 1.49 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.78 3bro h LYS 44 CO 0.12 0.00 0.04 0.09 -0.57 0.00 0.00 179.45 179.13 3bro n ASN 45 N -2.58 3.10 -3.96 0.86 3.02 -1.26 -4.79 115.26 109.63 3bro n ASN 45 Ca 0.00 -2.44 -0.08 0.00 -0.03 0.00 0.00 54.58 52.02 3bro n ASN 45 Cb 0.19 -0.59 -0.08 0.00 -0.61 0.00 0.00 39.78 38.69 3bro n ASN 45 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 3bro s LYS 46 N -1.72 0.84 -0.06 3.52 -2.85 -0.99 -5.14 119.74 113.33 3bro s LYS 46 Ca 0.24 -1.11 -0.24 0.00 -1.00 0.00 0.00 55.97 53.86 3bro s LYS 46 Cb 0.18 0.30 -0.04 0.00 -2.06 0.00 0.00 37.83 36.22 3bro s LYS 46 CO 0.07 -0.25 0.72 -1.21 0.10 0.00 0.00 175.35 174.77 3bro s GLU 47 N -3.91 4.44 -0.31 1.78 2.02 -1.26 -5.01 118.70 116.44 3bro s GLU 47 Ca 0.09 0.91 -0.03 0.00 0.02 0.00 0.00 54.97 55.96 3bro s GLU 47 Cb 0.06 -3.45 0.05 0.00 0.10 0.00 0.00 34.13 30.88 3bro s GLU 47 CO -0.08 0.05 0.04 0.08 0.02 0.00 0.00 175.26 175.37 3bro s VAL 48 N 0.83 3.28 0.58 2.63 1.01 -1.26 -5.04 120.40 122.43 3bro s VAL 48 Ca 0.38 -1.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 3bro s VAL 48 Cb -0.18 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.32 3bro s VAL 48 CO 0.19 -0.13 0.90 -0.76 0.00 0.00 0.00 175.10 175.29 3bro s LEU 49 N 1.31 3.29 0.24 3.92 1.43 -1.26 -0.87 118.68 126.73 3bro s LEU 49 Ca -0.04 0.83 -0.05 0.00 -1.03 0.00 0.00 54.13 53.84 3bro s LEU 49 Cb -0.20 -3.69 0.45 0.00 0.03 0.00 0.00 46.19 42.79 3bro s LEU 49 CO 0.00 -0.98 1.72 -0.61 0.23 0.00 0.00 176.35 176.71 3bro h GLN 50 N -0.14 0.37 -0.09 1.70 4.15 -1.97 -1.70 115.11 117.43 3bro h GLN 50 Ca -0.46 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 58.91 3bro h GLN 50 Cb 1.24 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.84 3bro h GLN 50 CO 0.61 0.25 -0.08 0.07 -1.93 0.00 0.00 178.83 177.75 3bro h ARG 51 N 0.38 0.13 -0.21 1.69 0.11 -1.95 0.25 114.38 114.78 3bro h ARG 51 Ca 0.41 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.43 3bro h ARG 51 Cb 0.65 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.70 3bro h ARG 51 CO -0.43 0.22 -0.02 -0.44 0.10 0.00 0.00 179.97 179.40 3bro h ASP 52 N 0.13 0.38 -0.41 0.08 3.32 -1.71 -1.86 116.42 116.34 3bro h ASP 52 Ca 0.03 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 56.77 3bro h ASP 52 Cb 0.23 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3bro h ASP 52 CO 0.01 0.62 0.23 0.25 -1.72 0.00 0.00 179.24 178.64 3bro h LEU 53 N 0.13 0.37 -0.68 1.55 7.12 -0.87 -1.64 115.31 121.29 3bro h LEU 53 Ca 0.06 0.01 0.09 0.00 0.13 0.00 0.00 57.88 58.16 3bro h LEU 53 Cb 0.44 -0.07 -0.07 0.00 -0.53 0.00 0.00 40.66 40.43 3bro h LEU 53 CO 0.01 0.27 0.33 -0.33 -0.13 0.00 0.00 178.44 178.59 3bro h GLU 54 N 0.47 0.55 -0.19 1.25 5.08 -0.90 -1.04 114.58 119.81 3bro h GLU 54 Ca 0.16 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 3bro h GLU 54 Cb 0.02 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3bro h GLU 54 CO -0.08 0.36 -0.43 0.77 -1.00 0.00 0.00 179.01 178.62 3bro h SER 55 N 0.57 0.49 0.15 1.42 0.02 -1.02 0.53 113.55 115.71 3bro h SER 55 Ca 0.33 -0.22 -0.24 0.00 -0.84 0.00 0.00 61.79 60.82 3bro h SER 55 Cb 0.35 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.76 3bro h SER 55 CO -0.26 0.86 -0.97 -0.08 -1.14 0.00 0.00 176.83 175.24 3bro h GLU 56 N 0.37 0.57 -0.03 3.45 4.57 -0.93 -3.22 114.58 119.36 3bro h GLU 56 Ca 0.03 -0.60 0.00 0.00 -1.18 0.00 0.00 59.36 57.61 3bro h GLU 56 Cb 0.92 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 3bro h GLU 56 CO 0.08 1.21 0.00 1.19 -1.18 0.00 0.00 179.01 180.31 3bro n PHE 57 N -3.81 0.01 -3.79 0.92 3.01 -0.43 -4.98 117.46 108.39 3bro n PHE 57 Ca -0.09 -0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.13 3bro n PHE 57 Cb 0.85 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.33 3bro n PHE 57 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3bro n SER 58 N 1.21 -1.29 -4.49 4.37 2.88 0.09 -4.98 113.62 111.41 3bro n SER 58 Ca 0.15 -0.91 -0.30 0.00 -1.33 0.00 0.00 58.87 56.47 3bro n SER 58 Cb 0.57 -3.60 -0.12 0.00 -0.75 0.00 0.00 64.21 60.32 3bro n SER 58 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 3bro s ILE 59 N -3.77 2.91 0.55 2.46 -4.36 -0.63 -5.04 121.20 113.32 3bro s ILE 59 Ca 0.05 -1.29 -0.21 0.00 -0.26 0.00 0.00 60.65 58.94 3bro s ILE 59 Cb -0.02 -2.28 -0.06 0.00 1.25 0.00 0.00 42.46 41.35 3bro s ILE 59 CO 0.85 0.23 1.12 0.29 0.24 0.00 0.00 174.94 177.66 3bro n LYS 60 N 1.18 1.26 -0.20 0.37 5.02 -1.26 -4.70 118.16 119.84 3bro n LYS 60 Ca -0.16 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 3bro n LYS 60 Cb 0.52 -2.29 0.11 0.00 -0.02 0.00 0.00 35.03 33.35 3bro n LYS 60 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3bro h SER 61 N 1.01 0.05 -0.41 4.39 0.02 -1.99 -1.02 113.55 115.61 3bro h SER 61 Ca -0.49 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3bro h SER 61 Cb 1.34 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.99 3bro h SER 61 CO 0.54 0.04 0.25 0.77 -1.14 0.00 0.00 176.83 177.29 3bro h SER 62 N 0.29 0.49 -0.41 3.07 4.64 -2.00 0.43 113.55 120.06 3bro h SER 62 Ca 0.31 -0.05 0.07 0.00 -0.47 0.00 0.00 61.79 61.64 3bro h SER 62 Cb 0.44 -0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 62.35 3bro h SER 62 CO -0.38 0.40 0.06 0.74 -0.87 0.00 0.00 176.83 176.79 3bro h THR 63 N 0.54 0.76 -0.43 2.95 2.02 -1.87 -2.33 112.91 114.55 3bro h THR 63 Ca 0.15 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3bro h THR 63 Cb -0.00 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 3bro h THR 63 CO -0.03 0.03 0.24 0.00 0.37 0.00 0.00 175.52 176.13 3bro h ALA 64 N 1.32 0.55 -0.21 6.16 0.00 -0.84 -1.66 119.26 124.59 3bro h ALA 64 Ca 0.20 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3bro h ALA 64 Cb 0.26 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3bro h ALA 64 CO -0.28 0.07 -0.09 1.15 0.00 0.00 0.00 179.25 180.11 3bro h THR 65 N 0.56 0.71 -0.23 0.00 2.02 -0.73 -0.12 112.91 115.13 3bro h THR 65 Ca 0.15 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 3bro h THR 65 Cb 0.05 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 3bro h THR 65 CO -0.02 0.00 0.10 0.58 0.37 0.00 0.00 175.52 176.54 3bro h VAL 66 N -0.05 1.16 -0.16 3.16 2.07 -1.37 0.19 116.25 121.25 3bro h VAL 66 Ca 0.11 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.21 3bro h VAL 66 Cb 0.22 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 3bro h VAL 66 CO -0.25 0.16 -0.20 -0.07 0.02 0.00 0.00 177.57 177.22 3bro h LEU 67 N 0.23 -0.64 -0.43 2.57 3.38 -1.02 -1.55 115.31 117.85 3bro h LEU 67 Ca 0.08 0.11 -0.16 0.00 0.09 0.00 0.00 57.88 58.00 3bro h LEU 67 Cb 0.16 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3bro h LEU 67 CO -0.01 -0.25 -0.47 -0.07 0.09 0.00 0.00 178.44 177.73 3bro h LEU 68 N -0.24 0.87 -0.46 1.67 3.38 -0.81 -2.93 115.31 116.79 3bro h LEU 68 Ca 0.11 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.70 3bro h LEU 68 Cb 0.41 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3bro h LEU 68 CO -0.31 1.20 0.21 1.56 0.09 0.00 0.00 178.44 181.19 3bro h GLN 69 N 0.63 0.41 -1.01 1.13 4.20 -0.47 -1.17 115.11 118.83 3bro h GLN 69 Ca 0.03 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3bro h GLN 69 Cb 1.05 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.73 3bro h GLN 69 CO 0.10 0.27 0.00 -2.13 -0.67 0.00 0.00 178.83 176.40 3bro n ARG 70 N -4.93 0.00 0.00 1.46 3.00 -0.60 -1.58 116.66 114.01 3bro n ARG 70 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 3bro n ARG 70 Cb 0.14 -1.23 0.00 0.00 0.00 0.00 0.00 32.46 31.36 3bro n ARG 70 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3bro n GLU 72 N 0.74 0.00 -0.11 -0.14 2.13 -0.44 -0.88 120.64 121.93 3bro n GLU 72 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 3bro n GLU 72 Cb 0.00 0.00 0.23 0.00 0.27 0.00 0.00 31.44 31.94 3bro n GLU 72 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3bro h ILE 73 N 0.00 1.21 0.00 6.31 2.04 -1.55 -1.67 117.51 123.84 3bro h ILE 73 Ca 0.00 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3bro h ILE 73 Cb 0.00 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3bro h ILE 73 CO 0.00 0.27 0.00 0.29 0.00 0.00 0.00 178.15 178.71 3bro n LYS 74 N -4.31 0.97 -3.43 2.37 5.02 -0.06 -4.89 118.16 113.83 3bro n LYS 74 Ca 0.04 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.10 3bro n LYS 74 Cb 0.19 -1.27 0.07 0.00 -0.02 0.00 0.00 35.03 33.99 3bro n LYS 74 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3bro n LYS 75 N -0.77 -7.02 -0.02 1.97 5.02 -0.63 -4.90 118.16 111.80 3bro n LYS 75 Ca 0.13 0.81 0.07 0.00 -2.02 0.00 0.00 58.31 57.30 3bro n LYS 75 Cb 0.06 -5.72 -0.16 0.00 -0.02 0.00 0.00 35.03 29.19 3bro n LYS 75 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3bro n LEU 76 N -4.62 0.00 -3.79 -0.35 4.77 -1.26 -4.49 117.00 107.26 3bro n LEU 76 Ca -0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.84 3bro n LEU 76 Cb 0.57 0.08 -0.12 0.00 -2.33 0.00 0.00 43.42 41.62 3bro n LEU 76 CO 0.59 0.08 -0.10 -0.22 -1.33 0.00 0.00 177.39 176.40 3bro s LEU 77 N -4.60 1.08 0.29 2.23 0.20 -1.26 -2.04 118.68 114.58 3bro s LEU 77 Ca -0.08 0.47 0.02 0.00 0.69 0.00 0.00 54.13 55.23 3bro s LEU 77 Cb 0.12 0.84 -0.04 0.00 -0.43 0.00 0.00 46.19 46.67 3bro s LEU 77 CO 0.85 -0.10 0.12 -0.72 -0.29 0.00 0.00 176.35 176.21 3bro s TYR 78 N 0.07 1.59 0.12 5.38 1.13 0.07 -4.42 117.35 121.29 3bro s TYR 78 Ca -0.01 -1.25 0.09 0.00 -1.41 0.00 0.00 57.07 54.49 3bro s TYR 78 Cb -0.02 -0.91 -0.04 0.00 -1.10 0.00 0.00 41.96 39.89 3bro s TYR 78 CO 0.00 -0.39 -0.18 1.03 -2.51 0.00 0.00 175.55 173.51 3bro s ARG 79 N -3.93 1.79 0.06 -3.49 0.52 -1.26 -0.51 118.95 112.13 3bro s ARG 79 Ca 0.36 -1.18 -0.12 0.00 -0.52 0.00 0.00 55.73 54.28 3bro s ARG 79 Cb 0.07 -2.12 0.01 0.00 0.52 0.00 0.00 34.95 33.43 3bro s ARG 79 CO 0.15 0.48 0.25 -1.59 0.02 0.00 0.00 175.30 174.62 3bro s LYS 80 N -2.15 0.80 0.22 3.54 -2.85 -0.67 -4.97 119.74 113.66 3bro s LYS 80 Ca 0.18 -0.66 -0.32 0.00 -1.00 0.00 0.00 55.97 54.17 3bro s LYS 80 Cb -0.11 0.34 -0.13 0.00 -2.06 0.00 0.00 37.83 35.87 3bro s LYS 80 CO 0.10 -0.26 1.53 0.28 0.10 0.00 0.00 175.35 177.11 3bro n VAL 81 N 0.40 0.54 -2.84 1.79 0.31 -1.26 0.13 118.33 117.39 3bro n VAL 81 Ca -0.18 -0.14 -0.30 0.00 -0.01 0.00 0.00 64.34 63.72 3bro n VAL 81 Cb 0.60 -1.64 -0.03 0.00 -0.91 0.00 0.00 33.84 31.87 3bro n VAL 81 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3bro s SER 82 N 0.63 6.51 0.06 4.52 1.04 -0.44 -4.67 113.70 121.34 3bro s SER 82 Ca 0.72 1.12 -0.08 0.00 0.48 0.00 0.00 55.95 58.19 3bro s SER 82 Cb -0.62 -2.32 -0.31 0.00 0.10 0.00 0.00 66.02 62.88 3bro s SER 82 CO 0.44 -0.41 1.08 1.23 0.98 0.00 0.00 173.24 176.56 3bro h GLY 83 N 1.21 0.42 2.00 7.32 0.00 -1.92 -3.29 103.07 108.80 3bro h GLY 83 Ca -0.47 -1.07 -0.08 0.00 0.00 0.00 0.00 47.33 45.72 3bro h GLY 83 CO 0.64 0.93 -0.36 0.07 0.00 0.00 0.00 176.54 177.82 3bro h LYS 84 N 0.10 0.00 -1.70 4.80 2.10 -1.95 -3.40 116.57 116.52 3bro h LYS 84 Ca -0.18 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.22 3bro h LYS 84 Cb 2.04 0.00 -0.28 0.00 -0.90 0.00 0.00 32.23 33.09 3bro h LYS 84 CO 0.23 0.36 -0.59 0.34 -2.00 0.00 0.00 179.45 177.79 3bro s ASP 85 N -6.40 0.43 0.64 7.07 -1.08 -1.26 -5.03 116.67 111.05 3bro s ASP 85 Ca 0.00 -1.00 0.27 0.00 -0.52 0.00 0.00 52.55 51.30 3bro s ASP 85 Cb 0.11 1.00 1.43 0.00 -1.46 0.00 0.00 42.92 43.99 3bro s ASP 85 CO 0.68 -0.28 1.82 0.77 0.52 0.00 0.00 175.17 178.68 3bro h SER 86 N 7.47 0.00 0.66 -0.34 4.64 -1.78 0.11 113.55 124.30 3bro h SER 86 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bro h SER 86 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3bro h SER 86 CO 0.21 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.71 3bro n ARG 87 N -3.10 0.27 -4.26 4.77 1.74 -1.26 -4.76 116.66 110.07 3bro n ARG 87 Ca 0.02 0.03 -0.21 0.00 -0.77 0.00 0.00 57.85 56.92 3bro n ARG 87 Cb 0.54 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.37 3bro n ARG 87 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3bro s GLN 88 N -2.71 1.05 -0.10 5.56 -1.52 0.39 -5.08 119.66 117.26 3bro s GLN 88 Ca 0.22 -1.18 -0.05 0.00 -1.95 0.00 0.00 55.36 52.40 3bro s GLN 88 Cb 0.18 -1.11 -0.04 0.00 -0.22 0.00 0.00 33.01 31.82 3bro s GLN 88 CO 0.45 0.24 0.11 0.15 -0.25 0.00 0.00 175.29 175.99 3bro s LYS 89 N -2.24 3.32 0.38 2.91 1.02 -1.26 -1.33 119.74 122.54 3bro s LYS 89 Ca 0.07 -0.23 -0.02 0.00 0.02 0.00 0.00 55.97 55.81 3bro s LYS 89 Cb -0.08 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 3bro s LYS 89 CO 0.04 0.75 0.62 0.00 -0.92 0.00 0.00 175.35 175.84 3bro s LEU 91 N -4.36 4.26 -0.03 0.00 1.43 -0.05 -1.67 118.68 118.26 3bro s LEU 91 Ca 0.43 0.33 0.04 0.00 -1.03 0.00 0.00 54.13 53.91 3bro s LEU 91 Cb -0.10 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 3bro s LEU 91 CO 0.38 0.23 -0.15 -0.54 0.23 0.00 0.00 176.35 176.49 3bro s LYS 92 N 0.02 1.43 0.24 1.70 -0.14 0.34 -4.66 119.74 118.67 3bro s LYS 92 Ca 0.11 -0.55 -0.30 0.00 -1.36 0.00 0.00 55.97 53.87 3bro s LYS 92 Cb -0.12 -1.32 -0.09 0.00 -1.68 0.00 0.00 37.83 34.63 3bro s LYS 92 CO 0.00 0.28 1.10 -0.51 -0.76 0.00 0.00 175.35 175.46 3bro s LEU 93 N -0.15 4.53 0.88 3.17 1.43 -1.26 -0.75 118.68 126.53 3bro s LEU 93 Ca 0.01 2.20 -0.13 0.00 -1.03 0.00 0.00 54.13 55.18 3bro s LEU 93 Cb -0.08 -3.62 0.12 0.00 0.03 0.00 0.00 46.19 42.64 3bro s LEU 93 CO 0.01 -0.16 1.19 0.42 0.23 0.00 0.00 176.35 178.03 3bro s THR 94 N -0.83 1.99 0.33 5.49 -4.23 -0.87 -4.83 115.64 112.68 3bro s THR 94 Ca 0.46 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.99 3bro s THR 94 Cb -0.31 -2.91 0.20 0.00 1.34 0.00 0.00 72.50 70.82 3bro s THR 94 CO 0.39 0.00 1.91 0.11 -0.54 0.00 0.00 174.62 176.49 3bro h LYS 95 N -1.33 0.72 -0.23 3.99 1.79 -1.91 -0.41 116.57 119.19 3bro h LYS 95 Ca -0.47 -0.11 0.04 0.00 -2.18 0.00 0.00 60.65 57.93 3bro h LYS 95 Cb 1.31 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 31.80 3bro h LYS 95 CO 0.59 0.60 -0.01 -0.22 -1.08 0.00 0.00 179.45 179.33 3bro h LYS 96 N 0.71 0.05 -0.48 3.15 3.64 -1.93 -2.73 116.57 118.99 3bro h LYS 96 Ca 0.17 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.42 3bro h LYS 96 Cb 0.16 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3bro h LYS 96 CO -0.01 0.04 -0.19 0.00 -2.27 0.00 0.00 179.45 177.01 3bro h ALA 97 N 1.20 0.74 -0.78 5.00 0.00 -1.70 -3.08 119.26 120.64 3bro h ALA 97 Ca 0.11 -0.38 0.19 0.00 0.00 0.00 0.00 54.91 54.83 3bro h ALA 97 Cb 0.14 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3bro h ALA 97 CO -0.19 0.67 0.54 -0.91 0.00 0.00 0.00 179.25 179.35 3bro h ASN 98 N 0.84 0.23 0.78 0.00 -0.26 -0.83 0.84 115.58 117.17 3bro h ASN 98 Ca 0.11 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 3bro h ASN 98 Cb 0.76 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.99 3bro h ASN 98 CO 0.06 0.11 0.00 0.29 -1.06 0.00 0.00 177.43 176.83 3bro n LYS 99 N -4.42 0.21 0.00 0.81 5.02 -1.05 -2.65 118.16 116.07 3bro n LYS 99 Ca 0.16 0.43 0.10 0.00 -2.02 0.00 0.00 58.31 56.97 3bro n LYS 99 Cb 0.69 -1.90 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 3bro n LYS 99 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3bro n LEU 100 N -2.29 1.77 -0.09 -0.35 4.77 0.28 -4.68 117.00 116.40 3bro n LEU 100 Ca 0.02 -0.74 -0.10 0.00 -0.03 0.00 0.00 56.01 55.16 3bro n LEU 100 Cb 0.24 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3bro n LEU 100 CO 0.21 0.34 0.83 -0.33 -1.33 0.00 0.00 177.39 177.11 3bro h GLU 101 N 1.96 0.45 -0.66 3.23 5.08 -1.42 -1.86 114.58 121.37 3bro h GLU 101 Ca 0.00 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 3bro h GLU 101 Cb 0.65 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3bro h GLU 101 CO 0.00 0.54 0.19 1.79 -1.00 0.00 0.00 179.01 180.52 3bro h THR 102 N 0.29 1.25 -0.51 1.13 1.35 -1.83 -0.50 112.91 114.08 3bro h THR 102 Ca 0.09 -0.88 -0.08 0.00 -0.55 0.00 0.00 66.41 64.98 3bro h THR 102 Cb 0.29 0.54 -0.02 0.00 -1.73 0.00 0.00 68.15 67.23 3bro h THR 102 CO 0.00 0.34 -0.00 0.40 -0.25 0.00 0.00 175.52 176.01 3bro h ILE 103 N 0.99 1.26 -0.10 6.82 2.04 -1.84 -2.56 117.51 124.13 3bro h ILE 103 Ca 0.21 -1.09 -0.04 0.00 1.00 0.00 0.00 64.86 64.94 3bro h ILE 103 Cb 0.31 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3bro h ILE 103 CO -0.00 0.39 -0.10 0.40 0.00 0.00 0.00 178.15 178.84 3bro h ILE 104 N 0.77 1.36 -0.62 -0.67 2.04 -1.05 -1.18 117.51 118.16 3bro h ILE 104 Ca 0.14 -1.25 0.04 0.00 1.00 0.00 0.00 64.86 64.80 3bro h ILE 104 Cb 0.53 1.97 -0.05 0.00 -0.74 0.00 0.00 36.82 38.53 3bro h ILE 104 CO 0.03 0.35 0.36 -0.07 0.00 0.00 0.00 178.15 178.82 3bro h LEU 105 N -0.17 0.55 -0.20 1.44 3.38 -1.11 -2.77 115.31 116.42 3bro h LEU 105 Ca 0.02 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3bro h LEU 105 Cb 0.61 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3bro h LEU 105 CO 0.02 0.38 0.10 -1.28 0.09 0.00 0.00 178.44 177.75 3bro h SER 106 N 0.68 0.26 0.00 -0.43 0.87 -1.44 -0.38 113.55 113.11 3bro h SER 106 Ca 0.26 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3bro h SER 106 Cb 0.10 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 3bro h SER 106 CO -0.14 0.31 0.00 0.00 -0.53 0.00 0.00 176.83 176.48 3bro n TYR 107 N -4.86 0.00 0.00 2.24 9.36 -0.45 -0.95 117.16 122.50 3bro n TYR 107 Ca -0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.18 3bro n TYR 107 Cb 0.10 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.81 3bro n TYR 107 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3bro n ASP 109 N 0.16 0.00 -0.04 2.98 8.00 -0.15 0.36 116.55 127.85 3bro n ASP 109 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 3bro n ASP 109 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 3bro n ASP 109 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3bro h SER 110 N 0.00 0.77 -0.67 -2.24 0.87 -1.29 -1.92 113.55 109.08 3bro h SER 110 Ca 0.00 -0.60 0.03 0.00 -1.23 0.00 0.00 61.79 59.99 3bro h SER 110 Cb 0.00 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.69 3bro h SER 110 CO 0.00 1.24 0.42 -0.78 -0.53 0.00 0.00 176.83 177.17 3bro h ASP 111 N 0.35 0.69 -0.06 6.23 3.58 -0.33 -1.42 116.42 125.46 3bro h ASP 111 Ca -0.02 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 3bro h ASP 111 Cb 1.17 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.07 3bro h ASP 111 CO 0.12 0.48 0.03 -0.61 -2.88 0.00 0.00 179.24 176.38 3bro h GLN 112 N 0.82 0.08 -0.58 0.28 -0.00 -1.79 -2.98 115.11 110.93 3bro h GLN 112 Ca 0.27 -0.01 0.12 0.00 -0.00 0.00 0.00 58.65 59.02 3bro h GLN 112 Cb 0.01 -0.02 -0.11 0.00 0.00 0.00 0.00 27.48 27.36 3bro h GLN 112 CO -0.10 0.15 -0.20 1.03 0.00 0.00 0.00 178.83 179.71 3bro h SER 113 N -0.01 -0.72 0.00 -0.69 0.87 -1.10 -0.94 113.55 110.95 3bro h SER 113 Ca 0.02 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 3bro h SER 113 Cb 0.09 0.43 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 3bro h SER 113 CO -0.00 -0.24 0.00 1.67 -0.53 0.00 0.00 176.83 177.73 3bro n GLN 114 N -5.43 0.64 0.00 2.24 -0.06 -0.56 -1.80 117.38 112.42 3bro n GLN 114 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.06 3bro n GLN 114 Cb 0.33 -1.18 0.00 0.00 -4.06 0.00 0.00 30.24 25.33 3bro n GLN 114 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 3bro n THR 116 N 1.54 0.00 -1.66 1.69 -2.24 -0.36 -4.95 114.28 108.30 3bro n THR 116 Ca 0.00 0.00 -0.47 0.00 -2.27 0.00 0.00 64.05 61.31 3bro n THR 116 Cb 0.32 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.51 3bro n THR 116 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3bro n SER 117 N 0.00 2.95 0.00 3.42 2.88 -0.75 -1.27 113.62 120.85 3bro n SER 117 Ca 0.00 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 3bro n SER 117 Cb 0.00 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.07 3bro n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3bro n GLY 118 N 3.39 2.43 3.79 0.46 0.00 -1.26 -5.03 105.19 108.98 3bro n GLY 118 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3bro n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bro s LEU 119 N 0.00 4.43 0.56 0.99 1.43 -0.40 -5.06 118.68 120.62 3bro s LEU 119 Ca 0.00 1.61 -0.16 0.00 -1.03 0.00 0.00 54.13 54.55 3bro s LEU 119 Cb 0.00 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.55 3bro s LEU 119 CO 0.00 0.06 1.03 0.20 0.23 0.00 0.00 176.35 177.87 3bro s ASN 120 N -1.48 6.15 0.26 2.29 0.01 -1.26 -4.93 114.94 115.98 3bro s ASN 120 Ca 0.43 1.72 -0.03 0.00 -0.71 0.00 0.00 52.86 54.26 3bro s ASN 120 Cb -0.19 -2.52 0.54 0.00 0.41 0.00 0.00 41.25 39.48 3bro s ASN 120 CO 0.24 -0.92 1.65 0.11 -1.51 0.00 0.00 177.10 176.67 3bro h LYS 121 N 0.67 0.16 -0.08 -0.60 1.57 -1.98 -1.50 116.57 114.82 3bro h LYS 121 Ca -0.47 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.23 3bro h LYS 121 Cb 1.21 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 3bro h LYS 121 CO 0.59 0.11 -0.29 1.05 -0.57 0.00 0.00 179.45 180.34 3bro h GLU 122 N 0.17 0.14 -0.44 3.15 9.09 -1.99 -2.30 114.58 122.39 3bro h GLU 122 Ca 0.46 -0.05 -0.11 0.00 0.05 0.00 0.00 59.36 59.71 3bro h GLU 122 Cb 0.86 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.94 3bro h GLU 122 CO -0.64 0.43 -0.16 0.93 0.05 0.00 0.00 179.01 179.62 3bro h GLU 123 N 0.13 0.90 -0.48 1.06 5.08 -1.66 -1.18 114.58 118.43 3bro h GLU 123 Ca 0.02 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 3bro h GLU 123 Cb 0.59 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3bro h GLU 123 CO 0.04 1.02 0.25 0.28 -1.00 0.00 0.00 179.01 179.60 3bro h VAL 124 N 0.73 1.18 -0.53 3.13 2.07 -1.30 -1.13 116.25 120.39 3bro h VAL 124 Ca 0.11 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3bro h VAL 124 Cb 0.72 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3bro h VAL 124 CO 0.06 0.19 0.28 0.58 0.02 0.00 0.00 177.57 178.69 3bro h VAL 125 N 0.63 1.19 -0.44 2.57 2.07 -1.30 -1.84 116.25 119.13 3bro h VAL 125 Ca 0.17 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.20 3bro h VAL 125 Cb 0.08 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3bro h VAL 125 CO -0.02 0.21 0.28 0.15 0.02 0.00 0.00 177.57 178.20 3bro h PHE 126 N 0.71 0.52 -0.55 1.57 3.57 -0.94 -1.68 116.94 120.14 3bro h PHE 126 Ca 0.18 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.77 3bro h PHE 126 Cb 0.08 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.59 3bro h PHE 126 CO -0.01 0.32 0.24 -0.07 -2.23 0.00 0.00 178.31 176.55 3bro h LEU 127 N 0.56 0.29 -0.54 0.59 3.38 -0.95 -0.67 115.31 117.97 3bro h LEU 127 Ca 0.17 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.20 3bro h LEU 127 Cb -0.03 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3bro h LEU 127 CO -0.05 0.20 0.34 -0.33 0.09 0.00 0.00 178.44 178.68 3bro h GLU 128 N 0.45 0.67 -0.52 1.13 5.08 -0.97 -1.11 114.58 119.31 3bro h GLU 128 Ca 0.26 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.48 3bro h GLU 128 Cb 0.24 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3bro h GLU 128 CO -0.23 0.44 -0.06 0.87 -1.00 0.00 0.00 179.01 179.03 3bro h LYS 129 N 0.69 0.93 -0.32 2.33 1.79 -0.91 -1.43 116.57 119.64 3bro h LYS 129 Ca 0.21 -0.31 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 3bro h LYS 129 Cb -0.03 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.53 3bro h LYS 129 CO -0.07 0.96 0.18 0.82 -1.08 0.00 0.00 179.45 180.25 3bro h ILE 130 N 0.84 1.13 -0.72 1.86 2.04 -0.80 -2.18 117.51 119.68 3bro h ILE 130 Ca 0.14 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 3bro h ILE 130 Cb 0.59 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 3bro h ILE 130 CO 0.04 0.13 0.45 -0.07 0.00 0.00 0.00 178.15 178.70 3bro h LEU 131 N 0.39 0.86 -0.68 1.44 3.38 -0.99 -2.76 115.31 116.95 3bro h LEU 131 Ca 0.11 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3bro h LEU 131 Cb 0.05 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 3bro h LEU 131 CO -0.02 0.66 0.38 0.11 0.09 0.00 0.00 178.44 179.66 3bro h LYS 132 N 0.99 0.68 -1.57 1.13 1.57 -1.12 -1.90 116.57 116.35 3bro h LYS 132 Ca 0.26 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3bro h LYS 132 Cb -0.06 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.10 3bro h LYS 132 CO -0.05 0.45 0.00 -2.13 -0.57 0.00 0.00 179.45 177.15 3bro n ARG 133 N -4.78 0.19 0.00 3.15 0.63 -0.83 -2.62 116.66 112.40 3bro n ARG 133 Ca 0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 3bro n ARG 133 Cb 0.17 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 31.72 3bro n ARG 133 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 3bro n ILE 135 N 0.83 0.00 1.03 5.15 5.41 -0.72 -2.71 119.36 128.35 3bro n ILE 135 Ca 0.00 0.00 0.13 0.00 1.00 0.00 0.00 62.75 63.88 3bro n ILE 135 Cb 0.09 0.00 0.48 0.00 -0.71 0.00 0.00 39.64 39.50 3bro n ILE 135 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3bro n GLU 136 N 0.00 0.05 0.00 0.38 -0.58 -1.08 -5.25 120.64 114.16 3bro n GLU 136 Ca 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 3bro n GLU 136 Cb 0.00 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 3bro n GLU 136 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52