#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1alu s THR 20 N 0.00 1.79 0.17 -5.08 -4.23 -1.26 -4.76 115.64 102.28 1alu s THR 20 Ca 0.00 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.37 1alu s THR 20 Cb 0.00 -2.69 0.06 0.00 1.34 0.00 0.00 72.50 71.21 1alu s THR 20 CO 0.00 0.00 1.77 -1.28 -0.54 0.00 0.00 174.62 174.57 1alu h SER 21 N -2.12 0.28 -0.52 3.99 0.87 -2.00 0.05 113.55 114.10 1alu h SER 21 Ca -0.46 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.09 1alu h SER 21 Cb 1.28 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.21 1alu h SER 21 CO 0.39 0.20 0.14 0.28 -0.53 0.00 0.00 176.83 177.31 1alu h SER 22 N 0.41 0.79 -0.55 6.23 0.02 -1.99 -1.63 113.55 116.83 1alu h SER 22 Ca 0.20 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1alu h SER 22 Cb 0.14 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 1alu h SER 22 CO -0.17 0.81 0.28 -0.33 -1.14 0.00 0.00 176.83 176.29 1alu h GLU 23 N 0.73 0.78 -0.72 3.45 5.08 -1.84 -0.84 114.58 121.22 1alu h GLU 23 Ca 0.17 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1alu h GLU 23 Cb 0.32 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1alu h GLU 23 CO 0.00 0.62 0.30 -0.09 -1.00 0.00 0.00 179.01 178.84 1alu h ARG 24 N 0.74 1.06 0.01 2.33 2.43 -0.66 -1.24 114.38 119.05 1alu h ARG 24 Ca 0.19 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1alu h ARG 24 Cb 0.08 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1alu h ARG 24 CO -0.03 0.85 -0.00 0.82 -1.51 0.00 0.00 179.97 180.10 1alu h ILE 25 N 1.04 1.18 -0.35 1.20 2.04 -1.12 -1.13 117.51 120.37 1alu h ILE 25 Ca 0.24 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 65.55 1alu h ILE 25 Cb 0.18 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1alu h ILE 25 CO -0.02 0.15 0.16 0.44 0.00 0.00 0.00 178.15 178.88 1alu h ASP 26 N -0.26 0.22 -0.56 1.72 3.32 -0.96 -0.89 116.42 119.01 1alu h ASP 26 Ca -0.00 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.08 1alu h ASP 26 Cb 0.26 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1alu h ASP 26 CO 0.00 0.17 0.37 0.50 -1.72 0.00 0.00 179.24 178.56 1alu h LYS 27 N 0.34 0.72 -0.41 3.56 3.64 -1.19 -1.60 116.57 121.63 1alu h LYS 27 Ca 0.15 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.35 1alu h LYS 27 Cb 0.08 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1alu h LYS 27 CO -0.12 0.47 -0.27 0.37 -2.27 0.00 0.00 179.45 177.63 1alu h GLN 28 N 0.74 0.91 -0.41 1.90 5.75 -0.54 -0.94 115.11 122.53 1alu h GLN 28 Ca 0.21 -0.43 -0.03 0.00 -0.15 0.00 0.00 58.65 58.25 1alu h GLN 28 Cb -0.06 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 1alu h GLN 28 CO -0.05 1.08 0.12 0.82 -2.65 0.00 0.00 178.83 178.16 1alu h ILE 29 N 0.73 1.22 -0.90 2.39 2.04 -0.98 -1.42 117.51 120.58 1alu h ILE 29 Ca 0.08 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.27 1alu h ILE 29 Cb 0.85 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.80 1alu h ILE 29 CO 0.07 0.25 0.58 0.03 0.00 0.00 0.00 178.15 179.09 1alu h ARG 30 N 0.51 1.07 0.20 2.37 3.08 -1.14 0.21 114.38 120.68 1alu h ARG 30 Ca 0.13 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1alu h ARG 30 Cb 0.26 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1alu h ARG 30 CO -0.00 0.71 -0.10 -0.92 -1.07 0.00 0.00 179.97 178.59 1alu h TYR 31 N 1.10 -0.25 -0.94 3.04 3.20 -0.92 -0.62 116.97 121.59 1alu h TYR 31 Ca 0.37 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.23 1alu h TYR 31 Cb 0.05 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.36 1alu h TYR 31 CO -0.02 -0.15 0.58 0.82 -1.64 0.00 0.00 178.16 177.75 1alu h ILE 32 N -0.28 1.25 -0.94 1.81 2.04 -0.85 -1.65 117.51 118.90 1alu h ILE 32 Ca -0.03 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1alu h ILE 32 Cb 0.22 -0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.17 1alu h ILE 32 CO 0.05 0.26 0.55 -0.07 0.00 0.00 0.00 178.15 178.94 1alu h LEU 33 N 1.28 1.13 -1.33 1.44 3.38 -0.21 0.10 115.31 121.11 1alu h LEU 33 Ca 0.34 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 1alu h LEU 33 Cb -0.08 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 1alu h LEU 33 CO -0.07 0.88 0.05 0.44 0.09 0.00 0.00 178.44 179.83 1alu h ASP 34 N 1.29 0.46 -0.32 -0.43 3.32 -0.56 0.15 116.42 120.34 1alu h ASP 34 Ca 0.33 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 1alu h ASP 34 Cb -0.04 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1alu h ASP 34 CO -0.06 0.49 -0.01 1.23 -1.72 0.00 0.00 179.24 179.17 1alu h GLY 35 N 0.76 0.62 1.00 2.75 0.00 -0.52 -1.79 103.07 105.88 1alu h GLY 35 Ca 0.11 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1alu h GLY 35 CO 0.00 0.43 0.41 -2.22 0.00 0.00 0.00 176.54 175.16 1alu h ILE 36 N 0.36 1.20 -0.07 2.60 2.04 -0.61 -1.65 117.51 121.38 1alu h ILE 36 Ca 0.09 -0.46 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 1alu h ILE 36 Cb 0.47 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1alu h ILE 36 CO 0.02 0.21 -0.15 -1.28 0.00 0.00 0.00 178.15 176.96 1alu h SER 37 N 0.95 0.10 0.05 1.72 0.87 -0.63 0.24 113.55 116.85 1alu h SER 37 Ca 0.25 -0.02 -0.20 0.00 -1.23 0.00 0.00 61.79 60.59 1alu h SER 37 Cb -0.01 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1alu h SER 37 CO -0.05 0.27 -0.74 0.00 -0.53 0.00 0.00 176.83 175.78 1alu h ALA 38 N 1.75 0.47 -0.21 6.23 0.00 -0.87 -0.51 119.26 126.12 1alu h ALA 38 Ca 0.02 -0.60 -0.16 0.00 0.00 0.00 0.00 54.91 54.17 1alu h ALA 38 Cb 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1alu h ALA 38 CO 0.02 0.72 -0.54 -0.07 0.00 0.00 0.00 179.25 179.38 1alu h LEU 39 N 0.42 0.68 -0.27 0.00 3.38 -0.75 -2.34 115.31 116.43 1alu h LEU 39 Ca -0.04 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 1alu h LEU 39 Cb 1.34 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1alu h LEU 39 CO 0.14 1.08 0.07 -0.09 0.09 0.00 0.00 178.44 179.73 1alu h ARG 40 N 0.47 0.43 -0.52 1.13 2.43 -0.38 -1.41 114.38 116.54 1alu h ARG 40 Ca 0.01 -0.10 0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1alu h ARG 40 Cb 1.09 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.53 1alu h ARG 40 CO 0.10 0.52 0.21 -0.22 -1.51 0.00 0.00 179.97 179.07 1alu h LYS 41 N 0.26 0.39 0.64 0.20 3.64 -0.92 0.14 116.57 120.93 1alu h LYS 41 Ca 0.08 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1alu h LYS 41 Cb 0.28 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1alu h LYS 41 CO 0.00 0.26 -0.36 1.49 -2.27 0.00 0.00 179.45 178.57 1alu h GLU 42 N 0.41 -0.91 -0.44 1.90 4.81 -1.18 -0.10 114.58 119.07 1alu h GLU 42 Ca 0.24 0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.41 1alu h GLU 42 Cb 0.23 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1alu h GLU 42 CO -0.23 -0.60 -0.23 0.00 -0.73 0.00 0.00 179.01 177.22 1alu h THR 43 N -0.94 1.27 -0.21 0.32 1.03 -1.09 -2.94 112.91 110.36 1alu h THR 43 Ca -0.08 -1.39 -0.05 0.00 -0.01 0.00 0.00 66.41 64.88 1alu h THR 43 Cb 0.75 1.22 -0.01 0.00 -1.07 0.00 0.00 68.15 69.04 1alu h THR 43 CO 0.10 0.47 -0.09 0.00 -0.01 0.00 0.00 175.52 176.00 1alu h ASN 45 N 0.31 0.10 0.10 0.00 2.35 -0.84 -1.36 115.58 116.24 1alu h ASN 45 Ca 0.07 -0.04 -0.23 0.00 -0.55 0.00 0.00 56.30 55.55 1alu h ASN 45 Cb 0.35 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 1alu h ASN 45 CO 0.02 0.50 -1.15 0.11 -1.65 0.00 0.00 177.43 175.26 1alu h LYS 46 N 0.08 0.21 0.00 0.81 1.57 -1.12 -3.41 116.57 114.71 1alu h LYS 46 Ca 0.01 -0.36 -0.12 0.00 -1.87 0.00 0.00 60.65 58.31 1alu h LYS 46 Cb 0.76 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 1alu h LYS 46 CO 0.06 1.17 -1.30 -1.13 -0.57 0.00 0.00 179.45 177.67 1alu n SER 47 N -4.08 0.85 -1.08 0.86 3.41 0.10 -4.98 113.62 108.72 1alu n SER 47 Ca -0.22 0.36 -0.12 0.00 -0.26 0.00 0.00 58.87 58.63 1alu n SER 47 Cb 0.83 0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.98 1alu n SER 47 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1alu n ASN 48 N -2.83 -4.32 -1.09 4.04 4.13 -0.51 -4.87 115.26 109.81 1alu n ASN 48 Ca -0.07 0.21 0.10 0.00 1.68 0.00 0.00 54.58 56.50 1alu n ASN 48 Cb 0.76 -3.08 0.26 0.00 -1.54 0.00 0.00 39.78 36.18 1alu n ASN 48 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1alu n MET 49 N -2.51 2.37 -4.33 3.52 2.81 -1.26 -4.94 117.12 112.77 1alu n MET 49 Ca -0.13 -2.13 -0.28 0.00 -1.81 0.00 0.00 57.70 53.36 1alu n MET 49 Cb 0.46 -1.46 -0.11 0.00 -0.71 0.00 0.00 33.22 31.41 1alu n MET 49 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1alu n GLU 51 N 0.32 0.00 0.00 0.00 -0.58 -1.26 -5.13 120.64 113.99 1alu n GLU 51 Ca -0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 1alu n GLU 51 Cb 0.55 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.42 1alu n GLU 51 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1alu n ASN 61 N 0.00 0.00 -4.76 1.62 2.85 -1.26 -5.27 115.26 108.44 1alu n ASN 61 Ca 0.00 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.08 1alu n ASN 61 Cb 0.00 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.04 1alu n ASN 61 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1alu s LEU 62 N 0.00 4.03 -0.76 1.20 1.43 -1.26 -4.93 118.68 118.39 1alu s LEU 62 Ca 0.00 2.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 1alu s LEU 62 Cb 0.00 -4.09 0.36 0.00 0.03 0.00 0.00 46.19 42.49 1alu s LEU 62 CO 0.00 -1.19 1.68 0.59 0.23 0.00 0.00 176.35 177.66 1alu n ASN 63 N -0.45 6.58 -4.76 2.29 4.13 -1.26 -5.05 115.26 116.74 1alu n ASN 63 Ca 0.07 -3.77 -0.38 0.00 1.68 0.00 0.00 54.58 52.18 1alu n ASN 63 Cb 0.44 -0.90 0.02 0.00 -1.54 0.00 0.00 39.78 37.80 1alu n ASN 63 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1alu s LEU 64 N -3.95 3.96 0.45 3.41 1.43 -1.26 -4.94 118.68 117.77 1alu s LEU 64 Ca 0.48 2.61 -0.23 0.00 -1.03 0.00 0.00 54.13 55.97 1alu s LEU 64 Cb 0.37 -4.20 -0.10 0.00 0.03 0.00 0.00 46.19 42.29 1alu s LEU 64 CO -0.29 -1.26 0.94 -2.65 0.23 0.00 0.00 176.35 173.32 1alu n PRO 65 N -0.68 1.18 -3.67 1.29 -0.02 -1.26 -5.01 135.00 126.84 1alu n PRO 65 Ca 0.08 0.43 -0.14 0.00 -2.02 0.00 0.00 63.50 61.85 1alu n PRO 65 Cb 0.46 -1.98 -0.08 0.00 -0.02 0.00 0.00 33.50 31.87 1alu n PRO 65 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1alu s LYS 66 N -2.05 0.71 0.38 -0.52 2.20 -1.26 -4.87 119.74 114.32 1alu s LYS 66 Ca 0.65 0.69 -0.26 0.00 -0.36 0.00 0.00 55.97 56.70 1alu s LYS 66 Cb -0.54 0.34 -0.09 0.00 -1.51 0.00 0.00 37.83 36.03 1alu s LYS 66 CO 0.56 -0.11 1.14 -1.64 -0.36 0.00 0.00 175.35 174.94 1alu s MET 67 N 0.07 4.17 0.25 4.03 -1.94 -1.26 -5.05 119.30 119.57 1alu s MET 67 Ca -0.02 1.78 0.04 0.00 -1.71 0.00 0.00 55.69 55.78 1alu s MET 67 Cb -0.04 -2.74 -0.05 0.00 2.01 0.00 0.00 34.83 34.01 1alu s MET 67 CO 0.02 -0.20 0.01 0.00 -0.01 0.00 0.00 175.02 174.84 1alu s ALA 68 N -1.41 1.89 0.51 3.03 0.00 -1.26 -5.03 121.76 119.49 1alu s ALA 68 Ca 0.55 -1.81 0.19 0.00 0.00 0.00 0.00 51.96 50.89 1alu s ALA 68 Cb -0.30 0.53 1.27 0.00 0.00 0.00 0.00 23.12 24.63 1alu s ALA 68 CO 0.37 -0.26 2.05 1.49 0.00 0.00 0.00 175.76 179.41 1alu h GLU 69 N 2.42 0.09 0.00 0.00 4.81 -1.96 -0.85 114.58 119.08 1alu h GLU 69 Ca -0.39 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 1alu h GLU 69 Cb 1.23 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 1alu h GLU 69 CO 0.65 0.06 -0.06 1.57 -0.73 0.00 0.00 179.01 180.50 1alu h LYS 70 N 0.09 0.00 0.00 1.92 2.10 -1.95 -2.87 116.57 115.86 1alu h LYS 70 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1alu h LYS 70 Cb 0.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 1alu h LYS 70 CO -0.02 0.06 0.00 -0.25 -2.00 0.00 0.00 179.45 177.24 1alu n ASP 71 N -3.21 0.36 0.00 7.07 8.00 -0.33 -4.92 116.55 123.53 1alu n ASP 71 Ca -0.00 0.57 0.00 0.00 0.71 0.00 0.00 54.79 56.07 1alu n ASP 71 Cb 0.31 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 1alu n ASP 71 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1alu n GLY 72 N 0.34 0.57 0.14 0.44 0.00 -1.09 -2.43 105.19 103.17 1alu n GLY 72 Ca 0.04 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1alu n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1alu s PHE 74 N -2.80 3.48 0.17 0.00 0.08 -1.26 -4.42 117.98 113.24 1alu s PHE 74 Ca 0.14 0.17 -0.15 0.00 0.12 0.00 0.00 56.93 57.22 1alu s PHE 74 Cb 0.18 -1.71 0.14 0.00 -0.57 0.00 0.00 43.02 41.05 1alu s PHE 74 CO 0.69 0.46 1.71 1.96 -0.10 0.00 0.00 175.22 179.94 1alu h GLN 75 N 1.98 0.17 -6.47 0.44 1.08 -1.98 -2.15 115.11 108.17 1alu h GLN 75 Ca -0.49 -0.01 -0.57 0.00 -1.45 0.00 0.00 58.65 56.14 1alu h GLN 75 Cb 1.20 -0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 28.53 1alu h GLN 75 CO 0.68 0.11 0.97 -1.12 -0.95 0.00 0.00 178.83 178.51 1alu s SER 76 N -5.29 6.62 0.00 1.46 0.01 -1.26 -2.95 113.70 112.30 1alu s SER 76 Ca -0.13 0.92 0.00 0.00 1.31 0.00 0.00 55.95 58.04 1alu s SER 76 Cb 0.14 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1alu s SER 76 CO 0.72 -1.18 0.00 0.61 0.41 0.00 0.00 173.24 173.80 1alu n GLY 77 N 4.56 0.79 3.61 3.44 0.00 -1.26 -4.95 105.19 111.38 1alu n GLY 77 Ca 0.14 -0.04 -0.46 0.00 0.00 0.00 0.00 46.02 45.65 1alu n GLY 77 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1alu n PHE 78 N -2.41 1.60 -3.31 1.61 7.35 -0.81 -4.35 117.46 117.14 1alu n PHE 78 Ca 0.00 0.60 -0.08 0.00 -0.76 0.00 0.00 57.45 57.21 1alu n PHE 78 Cb 0.00 -2.34 -0.06 0.00 0.35 0.00 0.00 39.48 37.43 1alu n PHE 78 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1alu s ASN 79 N -0.03 0.26 0.18 -2.13 3.84 0.40 -4.99 114.94 112.46 1alu s ASN 79 Ca 0.68 -0.13 -0.16 0.00 0.21 0.00 0.00 52.86 53.46 1alu s ASN 79 Cb -0.75 1.16 0.15 0.00 -0.55 0.00 0.00 41.25 41.25 1alu s ASN 79 CO 0.53 -0.33 1.65 -0.08 -2.79 0.00 0.00 177.10 176.08 1alu h GLU 80 N 8.16 -0.02 -0.18 0.43 4.81 -1.94 -1.69 114.58 124.16 1alu h GLU 80 Ca -0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1alu h GLU 80 Cb 1.13 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1alu h GLU 80 CO 0.27 -0.01 0.12 0.93 -0.73 0.00 0.00 179.01 179.58 1alu h GLU 81 N -0.02 0.24 -0.30 1.92 5.08 -1.96 -0.00 114.58 119.55 1alu h GLU 81 Ca 0.23 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.46 1alu h GLU 81 Cb 0.37 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1alu h GLU 81 CO -0.51 0.17 -0.32 1.79 -1.00 0.00 0.00 179.01 179.14 1alu h THR 82 N 0.24 1.28 -0.31 1.13 1.35 -1.81 -2.68 112.91 112.12 1alu h THR 82 Ca 0.07 -1.44 -0.03 0.00 -0.55 0.00 0.00 66.41 64.46 1alu h THR 82 Cb -0.02 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 1alu h THR 82 CO -0.01 0.46 0.08 0.00 -0.25 0.00 0.00 175.52 175.79 1alu h LEU 84 N 0.34 0.92 -0.64 0.00 5.85 -0.97 0.13 115.31 120.94 1alu h LEU 84 Ca 0.10 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 1alu h LEU 84 Cb 0.29 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1alu h LEU 84 CO 0.00 0.79 -0.01 0.58 -0.34 0.00 0.00 178.44 179.47 1alu h VAL 85 N 1.01 1.26 -0.51 1.05 2.07 -1.33 -1.97 116.25 117.84 1alu h VAL 85 Ca 0.24 -1.16 -0.10 0.00 0.82 0.00 0.00 66.70 66.51 1alu h VAL 85 Cb 0.12 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1alu h VAL 85 CO -0.03 0.42 -0.06 0.50 0.02 0.00 0.00 177.57 178.42 1alu h LYS 86 N 0.97 0.95 -0.14 1.57 1.63 0.21 -0.04 116.57 121.71 1alu h LYS 86 Ca 0.17 -0.33 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 1alu h LYS 86 Cb 0.56 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.12 1alu h LYS 86 CO 0.03 1.00 0.09 0.82 -3.45 0.00 0.00 179.45 177.94 1alu h ILE 87 N 0.81 1.04 -0.08 2.00 2.04 -0.55 0.12 117.51 122.90 1alu h ILE 87 Ca 0.14 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 1alu h ILE 87 Cb 0.61 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1alu h ILE 87 CO 0.04 0.04 0.03 0.40 0.00 0.00 0.00 178.15 178.66 1alu h ILE 88 N 0.18 1.14 -0.42 -0.67 2.04 -1.20 -0.64 117.51 117.94 1alu h ILE 88 Ca 0.05 -0.43 0.08 0.00 1.00 0.00 0.00 64.86 65.56 1alu h ILE 88 Cb -0.01 1.28 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 1alu h ILE 88 CO -0.01 0.12 -0.04 0.74 0.00 0.00 0.00 178.15 178.96 1alu h THR 89 N -0.03 0.64 -0.16 -0.27 2.02 -0.85 0.54 112.91 114.81 1alu h THR 89 Ca 0.03 -0.02 -0.12 0.00 0.77 0.00 0.00 66.41 67.07 1alu h THR 89 Cb 0.17 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1alu h THR 89 CO -0.00 0.01 -0.42 1.23 0.37 0.00 0.00 175.52 176.71 1alu h GLY 90 N 0.06 0.41 1.02 2.16 0.00 -0.58 -0.48 103.07 105.66 1alu h GLY 90 Ca 0.21 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 1alu h GLY 90 CO -0.38 0.36 -0.16 1.41 0.00 0.00 0.00 176.54 177.77 1alu h LEU 91 N 0.31 0.85 -1.10 3.11 3.38 -0.64 -0.68 115.31 120.53 1alu h LEU 91 Ca 0.03 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 1alu h LEU 91 Cb 0.87 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1alu h LEU 91 CO 0.07 1.05 0.06 -0.07 0.09 0.00 0.00 178.44 179.64 1alu h LEU 92 N 0.64 0.65 -1.89 1.67 3.38 -0.51 -2.05 115.31 117.20 1alu h LEU 92 Ca 0.09 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1alu h LEU 92 Cb 0.71 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1alu h LEU 92 CO 0.05 0.68 -0.13 -0.33 0.09 0.00 0.00 178.44 178.81 1alu h GLU 93 N 0.67 0.00 0.00 1.13 5.08 -0.32 -2.72 114.58 118.42 1alu h GLU 93 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1alu h GLU 93 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1alu h GLU 93 CO 0.01 0.13 0.00 0.74 -1.00 0.00 0.00 179.01 178.88 1alu h PHE 94 N 0.00 0.00 -0.84 4.33 0.04 -0.40 -3.35 116.94 116.72 1alu h PHE 94 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1alu h PHE 94 Cb 0.32 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.43 1alu h PHE 94 CO 0.00 0.00 0.47 0.93 -0.60 0.00 0.00 178.31 179.11 1alu h GLU 95 N 0.00 1.15 -0.50 1.51 5.08 -1.40 -0.41 114.58 120.01 1alu h GLU 95 Ca 0.00 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1alu h GLU 95 Cb 0.69 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1alu h GLU 95 CO 0.00 0.83 0.20 -0.24 -1.00 0.00 0.00 179.01 178.80 1alu h VAL 96 N 1.16 1.19 0.00 3.13 3.04 -1.80 -0.10 116.25 122.88 1alu h VAL 96 Ca 0.30 -0.59 -0.12 0.00 -1.01 0.00 0.00 66.70 65.28 1alu h VAL 96 Cb 0.00 0.59 -0.02 0.00 -2.01 0.00 0.00 31.29 29.86 1alu h VAL 96 CO -0.05 0.23 -0.58 1.88 -1.01 0.00 0.00 177.57 178.04 1alu h TYR 97 N 0.71 0.00 -0.07 3.17 0.05 -1.36 -0.26 116.97 119.21 1alu h TYR 97 Ca 0.17 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.81 1alu h TYR 97 Cb 0.15 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 1alu h TYR 97 CO 0.01 0.58 -0.59 -0.07 -1.05 0.00 0.00 178.16 177.04 1alu h LEU 98 N 0.00 0.24 -0.56 3.88 3.38 -0.26 -1.52 115.31 120.48 1alu h LEU 98 Ca -0.01 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1alu h LEU 98 Cb 1.05 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1alu h LEU 98 CO 0.07 0.77 0.16 -0.08 0.09 0.00 0.00 178.44 179.46 1alu h GLU 99 N 0.16 0.88 -0.47 1.13 4.81 -0.68 -1.81 114.58 118.60 1alu h GLU 99 Ca -0.00 -0.20 0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1alu h GLU 99 Cb 1.08 -0.12 -0.09 0.00 0.63 0.00 0.00 28.75 30.25 1alu h GLU 99 CO 0.09 0.81 -0.09 -0.92 -0.73 0.00 0.00 179.01 178.16 1alu h TYR 100 N 0.79 -0.20 -0.89 0.92 3.20 -0.75 -1.84 116.97 118.19 1alu h TYR 100 Ca 0.18 0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.12 1alu h TYR 100 Cb 0.31 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.69 1alu h TYR 100 CO 0.02 -0.18 0.58 -0.07 -1.64 0.00 0.00 178.16 176.87 1alu h LEU 101 N 0.02 0.98 -1.12 2.82 3.38 -1.05 -0.04 115.31 120.30 1alu h LEU 101 Ca 0.23 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 1alu h LEU 101 Cb 0.35 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1alu h LEU 101 CO -0.47 0.69 -0.12 -0.61 0.09 0.00 0.00 178.44 178.02 1alu h GLN 102 N 1.15 0.48 0.00 1.13 -0.00 -0.68 0.46 115.11 117.65 1alu h GLN 102 Ca 0.35 -0.13 -0.05 0.00 -0.00 0.00 0.00 58.65 58.81 1alu h GLN 102 Cb -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.38 1alu h GLN 102 CO -0.10 0.60 -0.25 -0.91 0.00 0.00 0.00 178.83 178.16 1alu h ASN 103 N 0.45 0.00 0.08 -0.69 -0.26 -0.97 -3.35 115.58 110.84 1alu h ASN 103 Ca 0.08 0.00 -0.30 0.00 -0.56 0.00 0.00 56.30 55.52 1alu h ASN 103 Cb 0.47 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.71 1alu h ASN 103 CO 0.03 0.25 -1.64 -0.09 -1.06 0.00 0.00 177.43 174.91 1alu h ARG 104 N 0.00 0.16 -6.41 0.81 9.65 -0.20 -3.46 114.38 114.93 1alu h ARG 104 Ca -0.00 -0.28 -0.54 0.00 -1.10 0.00 0.00 59.98 58.06 1alu h ARG 104 Cb 1.05 0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.74 1alu h ARG 104 CO 0.03 1.13 0.71 -0.06 2.80 0.00 0.00 179.97 184.58 1alu s PHE 105 N -2.47 3.16 -0.21 2.20 0.08 0.08 -4.93 117.98 115.88 1alu s PHE 105 Ca -0.25 1.07 -0.16 0.00 0.12 0.00 0.00 56.93 57.72 1alu s PHE 105 Cb 0.06 -3.54 -0.08 0.00 -0.57 0.00 0.00 43.02 38.89 1alu s PHE 105 CO 0.70 -1.83 -0.34 0.39 -0.10 0.00 0.00 175.22 174.05 1alu n GLU 106 N 4.72 0.53 0.22 0.44 1.02 -1.26 -3.38 120.64 122.92 1alu n GLU 106 Ca 0.11 0.22 -0.15 0.00 -0.02 0.00 0.00 57.16 57.32 1alu n GLU 106 Cb 0.45 -1.41 -0.07 0.00 -0.02 0.00 0.00 31.44 30.39 1alu n GLU 106 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1alu h SER 107 N -0.95 -0.71 -1.47 1.62 0.87 -2.00 -2.10 113.55 108.80 1alu h SER 107 Ca -0.27 0.06 -0.68 0.00 -1.23 0.00 0.00 61.79 59.66 1alu h SER 107 Cb 1.21 0.23 -0.26 0.00 -0.44 0.00 0.00 62.40 63.14 1alu h SER 107 CO -0.16 -0.41 0.89 -1.20 -0.53 0.00 0.00 176.83 175.42 1alu n SER 108 N -5.40 7.42 0.08 6.23 7.64 -1.26 -4.47 113.62 123.85 1alu n SER 108 Ca -0.10 -3.71 0.01 0.00 1.01 0.00 0.00 58.87 56.08 1alu n SER 108 Cb 0.30 -1.06 0.33 0.00 -1.01 0.00 0.00 64.21 62.78 1alu n SER 108 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1alu h GLU 109 N 2.57 0.32 -0.49 1.43 4.81 -1.39 -1.33 114.58 120.50 1alu h GLU 109 Ca 0.55 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.57 1alu h GLU 109 Cb 0.42 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1alu h GLU 109 CO 1.39 0.47 -0.16 0.93 -0.73 0.00 0.00 179.01 180.91 1alu h GLU 110 N 0.30 0.95 -0.41 1.92 5.08 -1.84 0.20 114.58 120.78 1alu h GLU 110 Ca 0.06 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 1alu h GLU 110 Cb 0.45 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1alu h GLU 110 CO 0.03 1.04 -0.03 1.96 -1.00 0.00 0.00 179.01 181.00 1alu h GLN 111 N 0.83 0.74 -0.55 2.33 4.20 -1.77 0.21 115.11 121.11 1alu h GLN 111 Ca 0.12 -0.25 0.04 0.00 0.06 0.00 0.00 58.65 58.61 1alu h GLN 111 Cb 0.72 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 1alu h GLN 111 CO 0.06 0.84 0.31 0.00 -0.67 0.00 0.00 178.83 179.37 1alu h ALA 112 N 0.88 0.71 -0.68 3.87 0.00 -0.96 -0.17 119.26 122.91 1alu h ALA 112 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1alu h ALA 112 Cb 0.53 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1alu h ALA 112 CO 0.03 0.00 0.34 -0.09 0.00 0.00 0.00 179.25 179.53 1alu h ARG 113 N 0.61 0.97 -0.62 0.00 2.43 -0.47 -1.95 114.38 115.34 1alu h ARG 113 Ca 0.23 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1alu h ARG 113 Cb 0.08 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1alu h ARG 113 CO -0.13 0.76 0.27 0.00 -1.51 0.00 0.00 179.97 179.36 1alu h ALA 114 N 1.16 1.30 -0.51 2.80 0.00 -0.42 0.05 119.26 123.64 1alu h ALA 114 Ca 0.23 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1alu h ALA 114 Cb 0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1alu h ALA 114 CO -0.03 0.53 0.22 0.28 0.00 0.00 0.00 179.25 180.24 1alu h VAL 115 N 0.88 1.21 0.14 0.00 2.07 -0.83 -0.86 116.25 118.86 1alu h VAL 115 Ca 0.21 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 67.13 1alu h VAL 115 Cb 0.14 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1alu h VAL 115 CO -0.02 0.24 -0.24 -0.61 0.02 0.00 0.00 177.57 176.95 1alu h GLN 116 N 0.68 -0.44 -0.20 1.57 4.15 -0.83 -1.49 115.11 118.54 1alu h GLN 116 Ca 0.17 0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.49 1alu h GLN 116 Cb 0.17 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1alu h GLN 116 CO -0.02 -0.29 -0.42 0.52 -1.93 0.00 0.00 178.83 176.69 1alu h MET 117 N -0.46 0.48 -0.04 1.69 2.86 -0.97 -2.67 114.93 115.82 1alu h MET 117 Ca 0.02 -0.25 -0.10 0.00 -2.06 0.00 0.00 59.70 57.31 1alu h MET 117 Cb 0.47 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1alu h MET 117 CO -0.12 0.81 -0.46 0.77 1.06 0.00 0.00 176.91 178.98 1alu h SER 118 N 0.39 0.10 -0.02 1.22 0.02 -1.08 -1.94 113.55 112.24 1alu h SER 118 Ca 0.03 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.81 1alu h SER 118 Cb 0.90 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1alu h SER 118 CO 0.08 0.55 -0.37 0.74 -1.14 0.00 0.00 176.83 176.68 1alu h THR 119 N 0.08 1.30 -0.09 -2.27 2.02 -1.09 -0.55 112.91 112.31 1alu h THR 119 Ca 0.00 -1.51 -0.11 0.00 0.77 0.00 0.00 66.41 65.56 1alu h THR 119 Cb 0.84 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 1alu h THR 119 CO 0.06 0.48 -0.45 0.11 0.37 0.00 0.00 175.52 176.09 1alu h LYS 120 N 0.44 0.20 -0.44 6.66 1.57 -1.06 -0.99 116.57 122.94 1alu h LYS 120 Ca 0.04 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 1alu h LYS 120 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1alu h LYS 120 CO 0.07 0.61 -0.13 0.28 -0.57 0.00 0.00 179.45 179.71 1alu h VAL 121 N 0.17 1.27 -0.42 0.50 2.07 -1.14 -1.33 116.25 117.37 1alu h VAL 121 Ca 0.01 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 1alu h VAL 121 Cb 0.86 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1alu h VAL 121 CO 0.07 0.43 0.26 0.25 0.02 0.00 0.00 177.57 178.60 1alu h LEU 122 N 0.69 0.50 -0.70 2.57 5.85 -0.45 -1.06 115.31 122.71 1alu h LEU 122 Ca 0.11 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1alu h LEU 122 Cb 0.68 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1alu h LEU 122 CO 0.05 0.40 0.45 0.40 -0.34 0.00 0.00 178.44 179.39 1alu h ILE 123 N 0.56 1.13 -0.52 4.05 2.04 -1.04 0.12 117.51 123.85 1alu h ILE 123 Ca 0.15 -0.31 0.07 0.00 1.00 0.00 0.00 64.86 65.77 1alu h ILE 123 Cb -0.02 0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 36.16 1alu h ILE 123 CO -0.03 0.16 0.20 1.56 0.00 0.00 0.00 178.15 180.04 1alu h GLN 124 N 0.90 0.38 -0.77 2.37 4.20 -0.85 -0.24 115.11 121.09 1alu h GLN 124 Ca 0.27 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.91 1alu h GLN 124 Cb -0.03 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1alu h GLN 124 CO -0.09 0.25 0.30 0.74 -0.67 0.00 0.00 178.83 179.37 1alu h PHE 125 N 0.39 1.17 0.00 2.96 0.04 -0.57 -2.74 116.94 118.20 1alu h PHE 125 Ca 0.25 -0.09 -0.10 0.00 2.80 0.00 0.00 57.97 60.83 1alu h PHE 125 Cb 0.25 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 1alu h PHE 125 CO -0.15 0.89 -0.49 -0.07 -0.60 0.00 0.00 178.31 177.89 1alu h LEU 126 N 1.12 0.00 -0.69 1.54 3.38 -0.44 -2.51 115.31 117.72 1alu h LEU 126 Ca 0.26 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 1alu h LEU 126 Cb 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1alu h LEU 126 CO -0.02 0.49 0.31 1.56 0.09 0.00 0.00 178.44 180.87 1alu h GLN 127 N 0.00 1.00 -0.36 1.13 4.20 -0.76 0.07 115.11 120.40 1alu h GLN 127 Ca -0.00 -0.16 0.05 0.00 0.06 0.00 0.00 58.65 58.60 1alu h GLN 127 Cb 0.91 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 28.47 1alu h GLN 127 CO 0.06 0.81 0.06 0.87 -0.67 0.00 0.00 178.83 179.97 1alu h LYS 128 N 0.96 0.17 -0.62 1.46 6.56 -1.36 -2.10 116.57 121.64 1alu h LYS 128 Ca 0.23 -0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.79 1alu h LYS 128 Cb 0.15 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 31.74 1alu h LYS 128 CO -0.03 0.12 0.30 -0.22 -2.06 0.00 0.00 179.45 177.56 1alu h LYS 129 N 0.18 0.88 -1.39 3.15 3.64 -0.80 -2.38 116.57 119.85 1alu h LYS 129 Ca 0.17 -0.11 -0.31 0.00 -1.27 0.00 0.00 60.65 59.13 1alu h LYS 129 Cb 0.20 -0.17 -0.14 0.00 -0.41 0.00 0.00 32.23 31.71 1alu h LYS 129 CO -0.23 0.68 0.40 0.00 -2.27 0.00 0.00 179.45 178.03 1alu n ALA 130 N -2.44 4.87 0.13 5.00 0.00 -0.10 -4.59 120.51 123.38 1alu n ALA 130 Ca 0.06 -1.63 0.03 0.00 0.00 0.00 0.00 53.44 51.90 1alu n ALA 130 Cb 0.13 -1.34 0.41 0.00 0.00 0.00 0.00 19.45 18.65 1alu n ALA 130 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1alu h LYS 131 N 1.24 0.20 0.42 0.00 1.79 -1.26 -1.11 116.57 117.86 1alu h LYS 131 Ca 0.30 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.71 1alu h LYS 131 Cb 1.16 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1alu h LYS 131 CO 0.72 0.34 -0.20 -2.95 -1.08 0.00 0.00 179.45 176.28 1alu h ASN 132 N 0.20 -0.48 -2.20 0.86 -1.07 -1.86 -3.48 115.58 107.54 1alu h ASN 132 Ca 0.04 -0.05 -0.52 0.00 0.07 0.00 0.00 56.30 55.83 1alu h ASN 132 Cb 0.35 0.12 0.24 0.00 -2.07 0.00 0.00 38.32 36.96 1alu h ASN 132 CO 0.02 -0.05 -1.62 0.18 0.07 0.00 0.00 177.43 176.04 1alu n LEU 133 N -5.16 -3.55 -4.71 6.14 4.77 -0.42 -4.97 117.00 109.09 1alu n LEU 133 Ca -0.08 0.15 -0.30 0.00 -0.03 0.00 0.00 56.01 55.74 1alu n LEU 133 Cb 0.26 -0.85 0.23 0.00 -2.33 0.00 0.00 43.42 40.74 1alu n LEU 133 CO 0.21 -4.41 0.72 -0.62 -1.33 0.00 0.00 177.39 171.97 1alu s ASP 134 N -1.36 1.44 0.33 -1.43 -1.08 -1.26 -5.00 116.67 108.31 1alu s ASP 134 Ca 0.45 0.38 -0.22 0.00 -0.52 0.00 0.00 52.55 52.64 1alu s ASP 134 Cb -0.12 -0.46 -0.10 0.00 -1.46 0.00 0.00 42.92 40.78 1alu s ASP 134 CO 0.74 -3.78 0.87 0.00 0.52 0.00 0.00 175.17 173.52 1alu s ALA 135 N -3.37 3.23 -0.18 3.66 0.00 -1.26 -5.03 121.76 118.80 1alu s ALA 135 Ca 0.74 0.36 -0.09 0.00 0.00 0.00 0.00 51.96 52.96 1alu s ALA 135 Cb -0.06 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 1alu s ALA 135 CO 0.55 0.22 0.13 0.42 0.00 0.00 0.00 175.76 177.08 1alu s ILE 136 N -1.78 5.40 0.27 0.00 1.09 -1.26 -5.04 121.20 119.88 1alu s ILE 136 Ca 0.52 0.18 -0.31 0.00 -1.10 0.00 0.00 60.65 59.95 1alu s ILE 136 Cb -0.15 -3.43 -0.12 0.00 -1.06 0.00 0.00 42.46 37.70 1alu s ILE 136 CO 0.20 0.49 1.65 0.35 -0.10 0.00 0.00 174.94 177.52 1alu n THR 137 N 3.09 0.68 -4.43 2.92 -2.24 -1.26 -4.98 114.28 108.06 1alu n THR 137 Ca -0.17 -0.17 -0.32 0.00 -2.27 0.00 0.00 64.05 61.12 1alu n THR 137 Cb 0.53 -1.98 -0.10 0.00 -2.10 0.00 0.00 70.33 66.67 1alu n THR 137 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1alu s THR 138 N 0.39 3.61 0.64 4.28 -4.23 -1.26 -4.88 115.64 114.19 1alu s THR 138 Ca 0.68 -0.85 -0.18 0.00 -1.18 0.00 0.00 61.69 60.16 1alu s THR 138 Cb -0.50 -2.59 -0.02 0.00 1.34 0.00 0.00 72.50 70.73 1alu s THR 138 CO 0.43 0.35 1.05 -2.65 -0.54 0.00 0.00 174.62 173.26 1alu n PRO 139 N 1.42 0.85 -2.37 3.99 -0.02 -1.26 -4.96 135.00 132.65 1alu n PRO 139 Ca -0.15 0.34 -0.43 0.00 -2.02 0.00 0.00 63.50 61.24 1alu n PRO 139 Cb 0.52 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 1alu n PRO 139 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1alu s ASP 140 N -1.38 6.78 0.37 2.55 2.15 -1.26 -4.93 116.67 120.94 1alu s ASP 140 Ca 0.78 1.54 0.09 0.00 0.43 0.00 0.00 52.55 55.39 1alu s ASP 140 Cb -0.39 -2.54 0.84 0.00 -0.30 0.00 0.00 42.92 40.53 1alu s ASP 140 CO 0.45 -0.93 1.89 -0.65 -0.17 0.00 0.00 175.17 175.76 1alu h PRO 141 N 8.91 0.65 -0.03 4.34 0.10 -1.99 -1.12 132.00 142.85 1alu h PRO 141 Ca -0.28 -0.04 -0.23 0.00 0.10 0.00 0.00 66.00 65.56 1alu h PRO 141 Cb 1.11 -0.15 0.01 0.00 0.10 0.00 0.00 31.00 32.07 1alu h PRO 141 CO 1.00 0.43 -0.91 1.15 0.10 0.00 0.00 178.00 179.76 1alu h THR 142 N 0.67 1.35 -0.23 -1.15 2.02 -2.00 -2.28 112.91 111.29 1alu h THR 142 Ca 0.42 -2.28 -0.09 0.00 0.77 0.00 0.00 66.41 65.23 1alu h THR 142 Cb 0.68 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 69.37 1alu h THR 142 CO -0.18 0.69 -0.25 0.74 0.37 0.00 0.00 175.52 176.89 1alu h THR 143 N 0.32 1.26 -0.41 3.16 2.02 -1.76 -2.71 112.91 114.80 1alu h THR 143 Ca -0.08 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 65.85 1alu h THR 143 Cb 1.54 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 1alu h THR 143 CO 0.17 0.39 0.19 0.78 0.37 0.00 0.00 175.52 177.42 1alu h ASN 144 N 0.38 0.54 -0.78 4.18 2.35 -1.17 -2.03 115.58 119.05 1alu h ASN 144 Ca 0.06 -0.13 0.06 0.00 -0.55 0.00 0.00 56.30 55.73 1alu h ASN 144 Cb 0.65 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.83 1alu h ASN 144 CO 0.05 0.52 0.51 0.00 -1.65 0.00 0.00 177.43 176.86 1alu h ALA 145 N 1.04 1.62 -0.19 -0.83 0.00 -1.17 -1.10 119.26 118.64 1alu h ALA 145 Ca 0.14 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1alu h ALA 145 Cb 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1alu h ALA 145 CO -0.02 0.26 -0.51 0.77 0.00 0.00 0.00 179.25 179.76 1alu h SER 146 N 0.86 0.78 0.26 0.00 0.02 -1.18 -2.79 113.55 111.51 1alu h SER 146 Ca 0.33 -0.58 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1alu h SER 146 Cb 0.21 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1alu h SER 146 CO -0.11 1.22 -0.23 0.25 -1.14 0.00 0.00 176.83 176.82 1alu h LEU 147 N 0.38 -0.60 -0.74 5.07 5.85 -0.69 -2.76 115.31 121.82 1alu h LEU 147 Ca -0.01 0.05 0.17 0.00 0.84 0.00 0.00 57.88 58.93 1alu h LEU 147 Cb 1.12 0.20 -0.12 0.00 0.37 0.00 0.00 40.66 42.23 1alu h LEU 147 CO 0.11 -0.34 0.04 0.25 -0.34 0.00 0.00 178.44 178.16 1alu h LEU 148 N -0.51 -0.26 -0.82 2.25 5.85 -1.27 -0.79 115.31 119.76 1alu h LEU 148 Ca -0.01 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1alu h LEU 148 Cb 0.46 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1alu h LEU 148 CO -0.03 -0.15 0.44 0.71 -0.34 0.00 0.00 178.44 179.07 1alu h THR 149 N 0.14 1.25 0.04 1.05 1.35 -1.37 -0.68 112.91 114.69 1alu h THR 149 Ca 0.41 -0.63 -0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1alu h THR 149 Cb 0.71 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.29 1alu h THR 149 CO -0.62 0.28 -0.02 0.50 -0.25 0.00 0.00 175.52 175.41 1alu h LYS 150 N 1.15 -0.06 -0.14 4.72 3.64 -1.14 -1.71 116.57 123.04 1alu h LYS 150 Ca 0.29 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.62 1alu h LYS 150 Cb 0.05 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1alu h LYS 150 CO -0.04 0.06 -0.14 -0.07 -2.27 0.00 0.00 179.45 176.99 1alu h LEU 151 N -0.16 0.20 -0.08 5.20 3.38 -0.98 -3.12 115.31 119.75 1alu h LEU 151 Ca -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1alu h LEU 151 Cb 0.15 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1alu h LEU 151 CO 0.01 0.37 -0.16 0.00 0.09 0.00 0.00 178.44 178.75 1alu n GLN 152 N -4.27 0.27 0.11 1.13 6.02 -0.28 -3.25 117.38 117.12 1alu n GLN 152 Ca -0.01 -0.08 0.12 0.00 -0.01 0.00 0.00 57.00 57.02 1alu n GLN 152 Cb 0.27 -1.50 0.19 0.00 1.02 0.00 0.00 30.24 30.23 1alu n GLN 152 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1alu h ALA 153 N 3.24 0.75 -2.30 -1.58 0.00 -1.25 -3.48 119.26 114.64 1alu h ALA 153 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1alu h ALA 153 Cb 0.44 0.00 0.15 0.00 0.00 0.00 0.00 17.79 18.38 1alu h ALA 153 CO 0.00 0.00 0.28 -0.65 0.00 0.00 0.00 179.25 178.88 1alu s GLN 154 N -3.20 1.80 0.97 0.00 -0.21 -1.20 -5.03 119.66 112.79 1alu s GLN 154 Ca 0.06 1.26 -0.13 0.00 0.02 0.00 0.00 55.36 56.57 1alu s GLN 154 Cb 0.11 -1.84 0.17 0.00 1.00 0.00 0.00 33.01 32.45 1alu s GLN 154 CO 0.69 -1.99 1.13 0.54 -2.12 0.00 0.00 175.29 173.54 1alu s ASN 155 N -3.17 2.95 0.41 5.90 2.20 -1.26 -4.69 114.94 117.28 1alu s ASN 155 Ca 0.63 0.96 0.08 0.00 -0.94 0.00 0.00 52.86 53.58 1alu s ASN 155 Cb -0.19 -1.50 0.85 0.00 -2.00 0.00 0.00 41.25 38.41 1alu s ASN 155 CO 0.57 -2.90 2.02 1.56 -2.94 0.00 0.00 177.10 175.41 1alu h GLN 156 N -1.74 0.45 -0.08 3.55 1.08 -1.99 -1.56 115.11 114.82 1alu h GLN 156 Ca -0.51 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 56.64 1alu h GLN 156 Cb 1.33 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.66 1alu h GLN 156 CO 0.57 0.36 0.02 2.35 -0.95 0.00 0.00 178.83 181.18 1alu h TRP 157 N 0.45 0.13 -0.72 2.96 2.91 -1.99 -0.35 115.95 119.33 1alu h TRP 157 Ca 0.12 -0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.07 1alu h TRP 157 Cb 0.06 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 28.64 1alu h TRP 157 CO 0.00 0.30 0.25 -0.07 -1.03 0.00 0.00 178.44 177.90 1alu h LEU 158 N -0.09 1.02 -0.52 0.65 3.38 -1.82 -0.37 115.31 117.55 1alu h LEU 158 Ca 0.02 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1alu h LEU 158 Cb 0.24 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1alu h LEU 158 CO 0.00 0.92 -0.02 1.56 0.09 0.00 0.00 178.44 180.99 1alu h GLN 159 N 1.06 0.94 -0.95 1.13 4.20 -1.13 0.13 115.11 120.49 1alu h GLN 159 Ca 0.24 -0.31 0.03 0.00 0.06 0.00 0.00 58.65 58.67 1alu h GLN 159 Cb 0.25 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 1alu h GLN 159 CO -0.01 0.96 0.62 -0.44 -0.67 0.00 0.00 178.83 179.29 1alu h ASP 160 N 0.81 1.04 -0.39 1.46 3.32 -0.69 -0.06 116.42 121.90 1alu h ASP 160 Ca 0.15 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 1alu h ASP 160 Cb 0.56 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1alu h ASP 160 CO 0.03 0.72 -0.03 0.24 -1.72 0.00 0.00 179.24 178.48 1alu h MET 161 N 1.21 0.70 -0.57 3.56 2.86 -0.79 -2.03 114.93 119.88 1alu h MET 161 Ca 0.38 -0.24 0.05 0.00 -2.06 0.00 0.00 59.70 57.83 1alu h MET 161 Cb -0.02 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 1alu h MET 161 CO -0.12 0.81 0.31 1.15 1.06 0.00 0.00 176.91 180.12 1alu h THR 162 N 0.52 0.97 -0.23 2.22 2.02 -0.45 -1.35 112.91 116.61 1alu h THR 162 Ca 0.11 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1alu h THR 162 Cb 0.51 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1alu h THR 162 CO 0.02 0.11 0.14 0.74 0.37 0.00 0.00 175.52 176.90 1alu h THR 163 N 0.59 1.09 -0.55 3.16 2.02 -0.92 -0.55 112.91 117.76 1alu h THR 163 Ca 0.25 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 1alu h THR 163 Cb 0.14 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1alu h THR 163 CO -0.16 0.09 0.28 -0.74 0.37 0.00 0.00 175.52 175.36 1alu h HIS 164 N 0.28 0.78 -0.33 3.16 6.17 -1.08 -1.44 115.15 122.69 1alu h HIS 164 Ca 0.08 -0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.11 1alu h HIS 164 Cb 0.03 -0.24 -0.01 0.00 2.52 0.00 0.00 27.41 29.70 1alu h HIS 164 CO -0.05 0.59 0.13 -0.07 0.71 0.00 0.00 177.93 179.24 1alu h LEU 165 N 0.74 0.47 -0.40 0.26 3.38 -0.95 -0.43 115.31 118.38 1alu h LEU 165 Ca 0.19 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1alu h LEU 165 Cb 0.09 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1alu h LEU 165 CO -0.03 0.52 0.22 0.40 0.09 0.00 0.00 178.44 179.64 1alu h ILE 166 N 0.39 1.01 -0.74 1.22 2.04 -0.98 -0.03 117.51 120.42 1alu h ILE 166 Ca 0.11 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 1alu h ILE 166 Cb 0.20 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1alu h ILE 166 CO -0.01 0.08 0.28 -0.07 0.00 0.00 0.00 178.15 178.43 1alu h LEU 167 N 0.44 1.04 -0.29 1.44 3.38 -1.06 0.37 115.31 120.63 1alu h LEU 167 Ca 0.16 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1alu h LEU 167 Cb 0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1alu h LEU 167 CO -0.09 0.94 -0.17 -0.09 0.09 0.00 0.00 178.44 179.12 1alu h ARG 168 N 1.08 0.64 -0.70 1.13 2.43 -0.92 -0.93 114.38 117.10 1alu h ARG 168 Ca 0.25 -0.29 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 1alu h ARG 168 Cb 0.24 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1alu h ARG 168 CO -0.02 0.88 0.23 1.03 -1.51 0.00 0.00 179.97 180.58 1alu h SER 169 N 0.38 1.01 -0.51 -3.80 0.87 -0.77 -0.62 113.55 110.11 1alu h SER 169 Ca 0.06 -0.20 -0.11 0.00 -1.23 0.00 0.00 61.79 60.31 1alu h SER 169 Cb 0.71 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 1alu h SER 169 CO 0.05 0.95 -0.09 0.15 -0.53 0.00 0.00 176.83 177.35 1alu h PHE 170 N 1.03 1.08 -0.04 2.24 3.57 -0.91 0.65 116.94 124.56 1alu h PHE 170 Ca 0.23 -0.22 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1alu h PHE 170 Cb 0.29 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1alu h PHE 170 CO 0.02 1.02 -0.11 -0.22 -2.23 0.00 0.00 178.31 176.79 1alu h LYS 171 N 0.83 -0.17 -0.63 1.11 3.64 -0.94 -1.18 116.57 119.23 1alu h LYS 171 Ca 0.13 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1alu h LYS 171 Cb 0.65 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1alu h LYS 171 CO 0.04 -0.11 0.40 0.93 -2.27 0.00 0.00 179.45 178.44 1alu h GLU 172 N -0.17 0.83 -0.66 1.90 5.08 -0.83 0.28 114.58 121.01 1alu h GLU 172 Ca 0.05 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1alu h GLU 172 Cb 0.25 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1alu h GLU 172 CO -0.14 0.57 0.42 0.35 -1.00 0.00 0.00 179.01 179.21 1alu h PHE 173 N 0.85 0.79 -0.15 4.33 3.57 -0.60 -1.37 116.94 124.36 1alu h PHE 173 Ca 0.23 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.58 1alu h PHE 173 Cb -0.07 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.40 1alu h PHE 173 CO -0.03 0.47 -0.60 -0.07 -2.23 0.00 0.00 178.31 175.85 1alu h LEU 174 N 0.83 0.55 -0.50 0.59 3.38 -0.78 0.24 115.31 119.63 1alu h LEU 174 Ca 0.26 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1alu h LEU 174 Cb -0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1alu h LEU 174 CO -0.09 1.02 0.29 1.56 0.09 0.00 0.00 178.44 181.31 1alu h GLN 175 N 0.36 0.68 -0.45 1.13 4.20 -0.80 0.11 115.11 120.34 1alu h GLN 175 Ca -0.00 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 1alu h GLN 175 Cb 1.14 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 1alu h GLN 175 CO 0.11 0.51 -0.06 0.77 -0.67 0.00 0.00 178.83 179.49 1alu h SER 176 N 0.66 0.75 -0.47 1.46 0.02 -1.12 -2.08 113.55 112.78 1alu h SER 176 Ca 0.18 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1alu h SER 176 Cb 0.02 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1alu h SER 176 CO -0.03 0.85 0.22 0.28 -1.14 0.00 0.00 176.83 177.02 1alu h SER 177 N 0.71 0.61 -0.68 3.07 0.02 -0.62 -1.19 113.55 115.47 1alu h SER 177 Ca 0.13 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1alu h SER 177 Cb 0.52 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 1alu h SER 177 CO 0.03 0.57 0.45 0.25 -1.14 0.00 0.00 176.83 176.98 1alu h LEU 178 N 0.61 0.76 -0.76 5.07 5.85 -0.61 0.62 115.31 126.86 1alu h LEU 178 Ca 0.16 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1alu h LEU 178 Cb 0.12 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1alu h LEU 178 CO -0.02 0.55 0.42 -0.09 -0.34 0.00 0.00 178.44 178.96 1alu h ARG 179 N 0.90 1.05 -0.21 1.25 2.43 -1.16 -2.25 114.38 116.39 1alu h ARG 179 Ca 0.26 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 59.19 1alu h ARG 179 Cb -0.08 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.26 1alu h ARG 179 CO -0.07 0.77 -0.31 0.00 -1.51 0.00 0.00 179.97 178.86 1alu h ALA 180 N 1.22 0.33 0.00 2.80 0.00 -0.81 -3.11 119.26 119.68 1alu h ALA 180 Ca 0.27 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1alu h ALA 180 Cb 0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1alu h ALA 180 CO -0.04 0.36 -0.07 -0.07 0.00 0.00 0.00 179.25 179.42 1alu h LEU 181 N 0.28 0.00 -0.95 0.00 3.38 -0.78 -0.65 115.31 116.59 1alu h LEU 181 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1alu h LEU 181 Cb 0.89 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 1alu h LEU 181 CO 0.07 0.07 0.60 0.03 0.09 0.00 0.00 178.44 179.30 1alu h ARG 182 N 0.00 1.27 -0.35 1.13 3.08 -1.33 -2.53 114.38 115.65 1alu h ARG 182 Ca -0.00 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1alu h ARG 182 Cb 0.17 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1alu h ARG 182 CO 0.01 0.86 0.00 1.04 -1.07 0.00 0.00 179.97 180.81 1alu n GLN 183 N -4.39 1.52 0.00 0.04 6.02 -0.26 -5.13 117.38 115.18 1alu n GLN 183 Ca 0.11 -0.64 0.07 0.00 -0.01 0.00 0.00 57.00 56.52 1alu n GLN 183 Cb 0.04 -1.26 0.06 0.00 1.02 0.00 0.00 30.24 30.09 1alu n GLN 183 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72