#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cye n SER 2 N 0.00 6.17 -4.65 2.89 7.64 -1.26 -4.93 113.62 119.47 1cye n SER 2 Ca 0.00 -2.77 -0.41 0.00 1.01 0.00 0.00 58.87 56.70 1cye n SER 2 Cb 0.00 -1.59 -0.05 0.00 -1.01 0.00 0.00 64.21 61.56 1cye n SER 2 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1cye s ASP 3 N 2.45 6.81 0.32 6.43 2.15 -1.26 -4.97 116.67 128.61 1cye s ASP 3 Ca 0.56 1.00 0.08 0.00 0.43 0.00 0.00 52.55 54.62 1cye s ASP 3 Cb 0.16 -2.41 0.79 0.00 -0.30 0.00 0.00 42.92 41.15 1cye s ASP 3 CO -0.07 -0.42 1.79 0.11 -0.17 0.00 0.00 175.17 176.41 1cye h LYS 4 N 7.56 0.70 -3.86 4.34 1.57 -1.92 -3.07 116.57 121.89 1cye h LYS 4 Ca -0.27 -0.04 -0.74 0.00 -1.87 0.00 0.00 60.65 57.73 1cye h LYS 4 Cb 1.12 -0.16 -0.11 0.00 0.08 0.00 0.00 32.23 33.16 1cye h LYS 4 CO 0.83 0.46 2.37 -1.91 -0.57 0.00 0.00 179.45 180.63 1cye n GLU 5 N -4.71 3.33 -5.15 3.15 0.00 -1.26 -3.55 120.64 112.44 1cye n GLU 5 Ca 0.23 -3.22 -0.31 0.00 0.00 0.00 0.00 57.16 53.86 1cye n GLU 5 Cb 0.59 -3.08 -0.17 0.00 0.00 0.00 0.00 31.44 28.78 1cye n GLU 5 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1cye s LEU 6 N 0.95 2.03 -0.56 4.31 0.20 -1.16 -5.01 118.68 119.44 1cye s LEU 6 Ca 0.43 -0.50 -0.28 0.00 0.69 0.00 0.00 54.13 54.47 1cye s LEU 6 Cb 0.10 -1.31 0.02 0.00 -0.43 0.00 0.00 46.19 44.57 1cye s LEU 6 CO -0.02 0.19 1.37 -0.54 -0.29 0.00 0.00 176.35 177.05 1cye s LYS 7 N 0.12 3.36 0.01 1.98 -0.14 -1.25 -3.73 119.74 120.09 1cye s LYS 7 Ca -0.11 0.43 0.03 0.00 -1.36 0.00 0.00 55.97 54.96 1cye s LYS 7 Cb -0.15 -4.10 -0.04 0.00 -1.68 0.00 0.00 37.83 31.86 1cye s LYS 7 CO 0.06 -1.87 -0.03 -0.06 -0.76 0.00 0.00 175.35 172.69 1cye s PHE 8 N 5.79 2.98 -0.24 3.18 0.40 0.11 -1.09 117.98 129.11 1cye s PHE 8 Ca 0.51 0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.87 1cye s PHE 8 Cb -0.10 -1.63 0.06 0.00 0.51 0.00 0.00 43.02 41.86 1cye s PHE 8 CO 0.25 0.42 -0.10 -1.17 0.70 0.00 0.00 175.22 175.32 1cye s LEU 9 N -1.55 3.07 -0.52 -0.37 0.20 -0.18 -0.25 118.68 119.08 1cye s LEU 9 Ca 0.19 -1.26 -0.22 0.00 0.69 0.00 0.00 54.13 53.52 1cye s LEU 9 Cb -0.11 -1.43 0.05 0.00 -0.43 0.00 0.00 46.19 44.26 1cye s LEU 9 CO 0.09 -0.19 0.79 -0.69 -0.29 0.00 0.00 176.35 176.07 1cye s VAL 10 N 1.20 4.62 -0.73 1.68 1.01 0.13 -1.05 120.40 127.26 1cye s VAL 10 Ca -0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 1cye s VAL 10 Cb -0.19 -4.42 0.19 0.00 0.00 0.00 0.00 36.38 31.96 1cye s VAL 10 CO -0.06 -0.95 0.61 -0.69 0.00 0.00 0.00 175.10 174.01 1cye s VAL 11 N 3.34 4.67 -0.04 2.92 1.01 0.75 -0.96 120.40 132.08 1cye s VAL 11 Ca 0.24 -2.74 -0.01 0.00 0.00 0.00 0.00 61.98 59.47 1cye s VAL 11 Cb -0.15 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.31 1cye s VAL 11 CO 0.16 -0.96 0.02 -0.62 0.00 0.00 0.00 175.10 173.71 1cye s ASP 12 N 1.40 0.95 0.58 3.32 -1.08 -0.53 -0.54 116.67 120.77 1cye s ASP 12 Ca 0.18 -0.01 0.28 0.00 -0.52 0.00 0.00 52.55 52.48 1cye s ASP 12 Cb -0.15 -0.25 1.75 0.00 -1.46 0.00 0.00 42.92 42.81 1cye s ASP 12 CO -0.06 -0.17 2.24 -2.24 0.52 0.00 0.00 175.17 175.46 1cye h ASP 13 N 7.91 0.00 -3.80 -0.34 2.03 -1.61 -3.41 116.42 117.20 1cye h ASP 13 Ca -0.27 0.00 -0.64 0.00 -0.73 0.00 0.00 57.03 55.39 1cye h ASP 13 Cb 1.13 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 39.47 1cye h ASP 13 CO 0.32 0.00 -0.37 0.12 -1.03 0.00 0.00 179.24 178.27 1cye s PHE 14 N -4.69 3.23 0.24 4.15 5.36 -1.26 -4.99 117.98 120.02 1cye s PHE 14 Ca -0.05 0.22 -0.08 0.00 -0.96 0.00 0.00 56.93 56.06 1cye s PHE 14 Cb 0.15 -2.49 0.40 0.00 -0.34 0.00 0.00 43.02 40.74 1cye s PHE 14 CO 0.56 -0.22 1.63 0.66 -1.46 0.00 0.00 175.22 176.39 1cye h SER 15 N 8.30 -0.45 0.49 6.13 4.64 -2.00 0.23 113.55 130.89 1cye h SER 15 Ca -0.33 0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 1cye h SER 15 Cb 1.17 0.38 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 1cye h SER 15 CO 0.61 -0.20 -0.24 0.74 -0.87 0.00 0.00 176.83 176.87 1cye h THR 16 N 0.07 0.51 -0.90 2.95 2.02 -1.94 -2.33 112.91 113.28 1cye h THR 16 Ca 0.39 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.51 1cye h THR 16 Cb 0.67 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 1cye h THR 16 CO -0.69 0.01 0.60 0.24 0.37 0.00 0.00 175.52 176.05 1cye h MET 17 N -0.71 1.19 0.12 6.66 2.86 -1.73 -1.40 114.93 121.93 1cye h MET 17 Ca -0.07 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1cye h MET 17 Cb 0.53 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1cye h MET 17 CO 0.11 0.79 -0.18 -0.09 1.06 0.00 0.00 176.91 178.60 1cye h ARG 18 N 1.22 -0.35 -0.85 1.72 2.43 -0.88 -2.24 114.38 115.44 1cye h ARG 18 Ca 0.33 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.56 1cye h ARG 18 Cb -0.14 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.44 1cye h ARG 18 CO -0.07 -0.23 0.54 0.00 -1.51 0.00 0.00 179.97 178.70 1cye h ARG 19 N -0.36 1.03 0.61 0.20 -0.00 -0.93 -2.45 114.38 112.47 1cye h ARG 19 Ca 0.02 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.98 59.42 1cye h ARG 19 Cb 0.37 -0.23 -0.01 0.00 0.00 0.00 0.00 29.97 30.10 1cye h ARG 19 CO -0.08 0.68 -0.44 0.82 0.00 0.00 0.00 179.97 180.94 1cye h ILE 20 N 1.06 0.12 -0.64 2.04 1.08 -0.91 -2.23 117.51 118.02 1cye h ILE 20 Ca 0.34 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.88 1cye h ILE 20 Cb 0.01 0.12 -0.06 0.00 -3.07 0.00 0.00 36.82 33.82 1cye h ILE 20 CO -0.12 0.00 0.33 0.58 -0.69 0.00 0.00 178.15 178.25 1cye h VAL 21 N -1.01 0.91 0.11 1.67 2.07 -1.18 -1.35 116.25 117.48 1cye h VAL 21 Ca -0.07 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1cye h VAL 21 Cb 0.84 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1cye h VAL 21 CO 0.03 0.11 -0.32 0.03 0.02 0.00 0.00 177.57 177.44 1cye h ARG 22 N 0.60 -0.51 -0.99 1.57 3.08 -1.37 -1.65 114.38 115.10 1cye h ARG 22 Ca 0.30 0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.39 1cye h ARG 22 Cb 0.24 0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 1cye h ARG 22 CO -0.21 -0.34 0.66 -0.91 -1.07 0.00 0.00 179.97 178.09 1cye h ASN 23 N -0.53 1.14 -0.04 7.04 2.35 -0.80 -2.18 115.58 122.55 1cye h ASN 23 Ca 0.03 -0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1cye h ASN 23 Cb 0.57 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 1cye h ASN 23 CO -0.19 0.82 -0.17 -0.07 -1.65 0.00 0.00 177.43 176.17 1cye h LEU 24 N 1.34 -0.49 -0.34 1.61 3.38 -0.79 -0.68 115.31 119.33 1cye h LEU 24 Ca 0.37 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.47 1cye h LEU 24 Cb -0.15 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1cye h LEU 24 CO -0.08 -0.22 0.01 -0.07 0.09 0.00 0.00 178.44 178.16 1cye h LEU 25 N -0.25 -0.13 -0.60 1.67 3.38 -0.96 -1.80 115.31 116.62 1cye h LEU 25 Ca 0.07 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.17 1cye h LEU 25 Cb 0.34 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1cye h LEU 25 CO -0.19 -0.03 0.31 0.11 0.09 0.00 0.00 178.44 178.73 1cye h LYS 26 N 0.10 0.56 -0.97 1.13 1.57 -0.97 0.72 116.57 118.72 1cye h LYS 26 Ca 0.17 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.96 1cye h LYS 26 Cb 0.22 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 1cye h LYS 26 CO -0.27 0.37 0.62 0.93 -0.57 0.00 0.00 179.45 180.53 1cye h GLU 27 N 0.58 1.14 0.00 3.15 5.08 -0.57 -0.46 114.58 123.50 1cye h GLU 27 Ca 0.27 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1cye h GLU 27 Cb 0.20 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1cye h GLU 27 CO -0.19 0.76 0.00 1.28 -1.00 0.00 0.00 179.01 179.85 1cye n LEU 28 N -4.50 0.61 0.00 1.33 4.77 -0.58 -4.89 117.00 113.74 1cye n LEU 28 Ca 0.14 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 1cye n LEU 28 Cb 0.13 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1cye n LEU 28 CO 0.33 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 1cye n GLY 29 N 0.47 1.23 3.27 -0.72 0.00 -0.18 -5.00 105.19 104.25 1cye n GLY 29 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1cye n GLY 29 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1cye n PHE 30 N -0.67 4.26 0.21 1.61 3.72 0.14 -4.51 117.46 122.22 1cye n PHE 30 Ca 0.00 -3.05 0.08 0.00 -0.05 0.00 0.00 57.45 54.43 1cye n PHE 30 Cb 0.00 -2.31 0.39 0.00 -0.94 0.00 0.00 39.48 36.62 1cye n PHE 30 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1cye h ASN 31 N 6.79 0.00 -1.18 4.37 2.35 -1.77 -2.78 115.58 123.36 1cye h ASN 31 Ca 0.41 0.00 -0.74 0.00 -0.55 0.00 0.00 56.30 55.41 1cye h ASN 31 Cb 0.79 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.03 1cye h ASN 31 CO 1.47 0.29 2.17 0.59 -1.65 0.00 0.00 177.43 180.31 1cye n ASN 32 N -3.43 4.86 -4.21 5.81 4.13 -1.24 -4.91 115.26 116.27 1cye n ASN 32 Ca 0.00 -3.03 -0.32 0.00 1.68 0.00 0.00 54.58 52.91 1cye n ASN 32 Cb 0.48 -1.54 -0.17 0.00 -1.54 0.00 0.00 39.78 37.01 1cye n ASN 32 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1cye s VAL 33 N 1.23 2.06 0.37 2.41 0.11 -1.26 0.06 120.40 125.38 1cye s VAL 33 Ca 0.42 -1.01 0.08 0.00 -2.93 0.00 0.00 61.98 58.54 1cye s VAL 33 Cb 0.09 -1.79 -0.04 0.00 -1.53 0.00 0.00 36.38 33.11 1cye s VAL 33 CO -0.01 0.56 0.21 -1.61 -3.33 0.00 0.00 175.10 170.91 1cye s GLU 34 N 0.47 2.40 -0.10 1.54 0.41 0.66 -4.97 118.70 119.11 1cye s GLU 34 Ca -0.16 -1.60 0.02 0.00 -0.41 0.00 0.00 54.97 52.82 1cye s GLU 34 Cb -0.17 -2.19 0.02 0.00 -1.78 0.00 0.00 34.13 30.00 1cye s GLU 34 CO 0.06 -0.00 -0.13 -1.83 -0.49 0.00 0.00 175.26 172.86 1cye s GLU 35 N -3.93 1.99 0.13 1.61 4.04 -1.26 -0.69 118.70 120.58 1cye s GLU 35 Ca 0.41 -0.48 0.10 0.00 0.04 0.00 0.00 54.97 55.03 1cye s GLU 35 Cb -0.01 -1.71 -0.04 0.00 0.02 0.00 0.00 34.13 32.39 1cye s GLU 35 CO 0.24 -0.06 -0.24 0.00 -1.84 0.00 0.00 175.26 173.36 1cye s ALA 36 N 0.97 2.16 -0.17 -0.84 0.00 -0.14 -4.97 121.76 118.77 1cye s ALA 36 Ca -0.08 -1.41 -0.11 0.00 0.00 0.00 0.00 51.96 50.37 1cye s ALA 36 Cb -0.15 -0.31 -0.22 0.00 0.00 0.00 0.00 23.12 22.44 1cye s ALA 36 CO -0.01 0.44 0.20 0.39 0.00 0.00 0.00 175.76 176.78 1cye n GLU 37 N 0.84 0.68 -4.20 0.00 1.02 -1.26 -1.45 120.64 116.27 1cye n GLU 37 Ca -0.17 0.34 -0.14 0.00 -0.02 0.00 0.00 57.16 57.16 1cye n GLU 37 Cb 0.54 -1.68 -0.09 0.00 -0.02 0.00 0.00 31.44 30.19 1cye n GLU 37 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1cye s ASP 38 N -6.97 0.64 0.18 1.62 1.47 -1.26 -1.82 116.67 110.53 1cye s ASP 38 Ca -0.27 -1.47 -0.25 0.00 1.18 0.00 0.00 52.55 51.74 1cye s ASP 38 Cb 0.07 0.47 0.06 0.00 -0.34 0.00 0.00 42.92 43.18 1cye s ASP 38 CO 0.68 -0.96 1.56 1.23 0.68 0.00 0.00 175.17 178.35 1cye h GLY 39 N 2.41 -0.41 0.62 2.12 0.00 -1.43 -0.19 103.07 106.20 1cye h GLY 39 Ca -0.31 0.59 0.01 0.00 0.00 0.00 0.00 47.33 47.62 1cye h GLY 39 CO 0.46 -0.14 -0.26 -2.08 0.00 0.00 0.00 176.54 174.52 1cye h VAL 40 N -0.14 0.44 -0.61 4.60 2.07 -1.89 -1.80 116.25 118.91 1cye h VAL 40 Ca 0.21 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.81 1cye h VAL 40 Cb 0.55 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1cye h VAL 40 CO -0.79 0.00 0.40 -0.78 0.02 0.00 0.00 177.57 176.42 1cye h ASP 41 N -0.51 0.44 -0.07 0.57 3.58 -1.76 -1.48 116.42 117.19 1cye h ASP 41 Ca 0.01 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1cye h ASP 41 Cb 0.50 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.46 1cye h ASP 41 CO -0.10 0.28 0.01 0.00 -2.88 0.00 0.00 179.24 176.54 1cye h ALA 42 N 1.68 0.10 -0.53 -0.78 0.00 -0.29 -0.58 119.26 118.86 1cye h ALA 42 Ca 0.27 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1cye h ALA 42 Cb 0.42 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1cye h ALA 42 CO -0.08 -0.25 0.28 -0.07 0.00 0.00 0.00 179.25 179.13 1cye h LEU 43 N -0.13 0.41 0.15 0.00 3.38 -0.50 0.33 115.31 118.96 1cye h LEU 43 Ca 0.02 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1cye h LEU 43 Cb 0.29 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1cye h LEU 43 CO 0.00 0.28 -0.28 0.78 0.09 0.00 0.00 178.44 179.32 1cye h ASN 44 N 0.54 -0.78 -0.51 -0.43 -0.26 -1.31 -1.52 115.58 111.32 1cye h ASN 44 Ca 0.23 0.09 0.01 0.00 -0.56 0.00 0.00 56.30 56.07 1cye h ASN 44 Cb 0.12 0.29 -0.03 0.00 -1.06 0.00 0.00 38.32 37.64 1cye h ASN 44 CO -0.15 -0.37 0.33 0.11 -1.06 0.00 0.00 177.43 176.29 1cye h LYS 45 N -0.51 0.65 -0.79 0.81 1.79 -0.61 -2.83 116.57 115.08 1cye h LYS 45 Ca 0.02 -0.04 0.09 0.00 -2.18 0.00 0.00 60.65 58.54 1cye h LYS 45 Cb 0.52 -0.15 -0.07 0.00 -1.58 0.00 0.00 32.23 30.95 1cye h LYS 45 CO -0.14 0.43 0.44 -0.07 -1.08 0.00 0.00 179.45 179.03 1cye h LEU 46 N 0.67 0.63 -1.45 2.94 3.38 0.21 -1.20 115.31 120.49 1cye h LEU 46 Ca 0.19 0.05 0.18 0.00 0.09 0.00 0.00 57.88 58.39 1cye h LEU 46 Cb -0.05 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 1cye h LEU 46 CO -0.05 0.37 0.57 1.56 0.09 0.00 0.00 178.44 180.98 1cye h GLN 47 N 0.76 0.48 -2.89 1.13 4.20 -1.03 0.41 115.11 118.16 1cye h GLN 47 Ca 0.38 -0.03 -0.64 0.00 0.06 0.00 0.00 58.65 58.42 1cye h GLN 47 Cb 0.33 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.01 1cye h GLN 47 CO -0.24 0.32 3.43 0.00 -0.67 0.00 0.00 178.83 181.66 1cye n ALA 48 N -2.49 7.44 0.00 3.87 0.00 -0.45 -3.98 120.51 124.90 1cye n ALA 48 Ca 0.18 -3.43 0.00 0.00 0.00 0.00 0.00 53.44 50.19 1cye n ALA 48 Cb 0.60 -3.25 0.00 0.00 0.00 0.00 0.00 19.45 16.80 1cye n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cye n GLY 49 N 3.36 1.46 3.03 0.00 0.00 -1.21 -4.88 105.19 106.95 1cye n GLY 49 Ca 0.75 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.63 1cye n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cye n GLY 50 N 0.00 -0.64 3.61 -0.02 0.00 0.13 -4.93 105.19 103.34 1cye n GLY 50 Ca 0.00 0.30 -0.47 0.00 0.00 0.00 0.00 46.02 45.86 1cye n GLY 50 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cye n TYR 51 N -3.24 1.57 0.56 1.61 4.02 -1.26 -4.91 117.16 115.51 1cye n TYR 51 Ca -0.13 0.61 0.00 0.00 -0.01 0.00 0.00 57.90 58.37 1cye n TYR 51 Cb 0.62 -2.33 0.08 0.00 -0.02 0.00 0.00 39.34 37.69 1cye n TYR 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1cye n GLY 52 N 1.89 1.99 3.62 2.72 0.00 -0.25 -4.69 105.19 110.47 1cye n GLY 52 Ca 0.13 -0.22 0.02 0.00 0.00 0.00 0.00 46.02 45.95 1cye n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1cye s PHE 53 N -1.25 -0.10 -0.25 1.61 2.19 -1.19 -4.39 117.98 114.60 1cye s PHE 53 Ca 0.12 0.20 0.01 0.00 0.33 0.00 0.00 56.93 57.59 1cye s PHE 53 Cb 0.10 0.06 0.04 0.00 -1.31 0.00 0.00 43.02 41.91 1cye s PHE 53 CO 0.03 -0.05 -0.10 0.08 1.83 0.00 0.00 175.22 177.01 1cye s VAL 54 N 1.14 2.47 -0.52 3.12 1.01 0.25 -1.01 120.40 126.85 1cye s VAL 54 Ca -0.08 -1.28 -0.08 0.00 0.00 0.00 0.00 61.98 60.55 1cye s VAL 54 Cb -0.02 -2.31 0.13 0.00 0.00 0.00 0.00 36.38 34.18 1cye s VAL 54 CO -0.10 0.14 0.38 -0.63 0.00 0.00 0.00 175.10 174.89 1cye s ILE 55 N 1.23 4.14 -0.05 2.22 1.01 -0.21 -0.08 121.20 129.45 1cye s ILE 55 Ca -0.03 -2.08 0.06 0.00 0.00 0.00 0.00 60.65 58.60 1cye s ILE 55 Cb -0.18 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 1cye s ILE 55 CO -0.06 -0.81 -0.23 -0.55 0.00 0.00 0.00 174.94 173.29 1cye s SER 56 N 2.19 3.22 0.10 3.58 0.15 0.44 -0.18 113.70 123.20 1cye s SER 56 Ca 0.09 -0.46 -0.31 0.00 0.70 0.00 0.00 55.95 55.97 1cye s SER 56 Cb -0.23 -0.77 -0.07 0.00 -1.71 0.00 0.00 66.02 63.24 1cye s SER 56 CO -0.02 0.27 1.31 -0.62 1.20 0.00 0.00 173.24 175.38 1cye s ASP 57 N -0.30 6.93 0.19 5.45 -1.08 0.30 -0.07 116.67 128.08 1cye s ASP 57 Ca 0.01 2.21 -0.12 0.00 -0.52 0.00 0.00 52.55 54.12 1cye s ASP 57 Cb -0.13 -2.58 0.14 0.00 -1.46 0.00 0.00 42.92 38.89 1cye s ASP 57 CO 0.02 -0.57 1.82 -0.25 0.52 0.00 0.00 175.17 176.71 1cye h TRP 58 N 6.74 0.63 -2.97 -5.34 2.91 -1.01 -2.88 115.95 114.04 1cye h TRP 58 Ca -0.42 0.02 -0.71 0.00 1.13 0.00 0.00 58.89 58.91 1cye h TRP 58 Cb 1.21 -0.20 -0.20 0.00 -0.51 0.00 0.00 29.16 29.46 1cye h TRP 58 CO 0.66 0.35 0.27 0.54 -1.03 0.00 0.00 178.44 179.22 1cye s ASN 59 N -5.61 6.38 -0.03 2.65 4.22 -1.26 -0.53 114.94 120.75 1cye s ASN 59 Ca -0.13 -1.78 0.01 0.00 -2.14 0.00 0.00 52.86 48.82 1cye s ASN 59 Cb 0.14 -2.31 0.01 0.00 1.28 0.00 0.00 41.25 40.38 1cye s ASN 59 CO 0.75 -1.01 -0.05 -0.04 -2.04 0.00 0.00 177.10 174.71 1cye s MET 60 N 2.25 0.72 0.48 3.55 -1.94 -1.26 -4.60 119.30 118.50 1cye s MET 60 Ca 0.17 -0.14 -0.24 0.00 -1.71 0.00 0.00 55.69 53.78 1cye s MET 60 Cb -0.18 -0.72 -0.07 0.00 2.01 0.00 0.00 34.83 35.87 1cye s MET 60 CO 0.00 -0.02 1.38 -0.35 -0.01 0.00 0.00 175.02 176.03 1cye n PRO 61 N 3.71 2.00 0.00 2.03 -0.04 -1.26 -2.61 135.00 138.83 1cye n PRO 61 Ca -0.22 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 1cye n PRO 61 Cb 0.53 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 1cye n PRO 61 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1cye n ASN 62 N -0.43 0.00 -3.92 3.54 4.13 -1.26 -4.48 115.26 112.84 1cye n ASN 62 Ca 0.07 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.03 1cye n ASN 62 Cb 0.42 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.52 1cye n ASN 62 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1cye s MET 63 N 0.00 1.42 0.97 3.52 1.75 -1.25 -5.05 119.30 120.66 1cye s MET 63 Ca 0.00 -1.90 -0.12 0.00 -1.25 0.00 0.00 55.69 52.42 1cye s MET 63 Cb 0.00 -2.91 0.17 0.00 2.84 0.00 0.00 34.83 34.93 1cye s MET 63 CO 0.00 -1.01 1.09 -0.51 -0.65 0.00 0.00 175.02 173.94 1cye s ASP 64 N 0.72 2.79 0.17 1.11 1.11 -1.07 -1.33 116.67 120.17 1cye s ASP 64 Ca 0.13 1.40 -0.23 0.00 0.18 0.00 0.00 52.55 54.02 1cye s ASP 64 Cb -0.21 -2.08 0.06 0.00 1.07 0.00 0.00 42.92 41.77 1cye s ASP 64 CO -0.09 -3.05 1.59 1.23 1.18 0.00 0.00 175.17 176.03 1cye h GLY 65 N -1.84 -0.30 0.67 0.21 0.00 -0.58 -1.45 103.07 99.79 1cye h GLY 65 Ca -0.53 0.46 0.04 0.00 0.00 0.00 0.00 47.33 47.30 1cye h GLY 65 CO 0.55 -0.20 0.04 -2.00 0.00 0.00 0.00 176.54 174.92 1cye h LEU 66 N -0.24 -0.02 -0.94 3.11 5.85 -1.86 -0.63 115.31 120.57 1cye h LEU 66 Ca 0.18 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.85 1cye h LEU 66 Cb 0.55 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1cye h LEU 66 CO -0.60 0.02 -0.32 1.05 -0.34 0.00 0.00 178.44 178.25 1cye h GLU 67 N 0.13 0.38 -0.61 1.25 9.09 -1.85 -2.68 114.58 120.29 1cye h GLU 67 Ca 0.12 -0.16 0.00 0.00 0.05 0.00 0.00 59.36 59.38 1cye h GLU 67 Cb 0.13 -0.02 -0.03 0.00 -1.65 0.00 0.00 28.75 27.19 1cye h GLU 67 CO -0.17 0.67 0.40 1.25 0.05 0.00 0.00 179.01 181.20 1cye h LEU 68 N 0.33 0.70 -0.69 3.06 5.85 -0.62 -1.26 115.31 122.68 1cye h LEU 68 Ca 0.04 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.84 1cye h LEU 68 Cb 0.73 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 1cye h LEU 68 CO 0.06 0.51 0.32 0.25 -0.34 0.00 0.00 178.44 179.24 1cye h LEU 69 N 0.82 0.39 -0.47 2.25 5.85 -0.82 -1.67 115.31 121.65 1cye h LEU 69 Ca 0.22 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.97 1cye h LEU 69 Cb -0.09 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1cye h LEU 69 CO -0.05 0.22 0.14 0.11 -0.34 0.00 0.00 178.44 178.52 1cye h LYS 70 N 0.54 0.74 -0.14 1.25 1.57 -1.09 0.33 116.57 119.78 1cye h LYS 70 Ca 0.35 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1cye h LYS 70 Cb 0.40 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1cye h LYS 70 CO -0.29 0.71 0.10 1.79 -0.57 0.00 0.00 179.45 181.19 1cye h THR 71 N 0.63 0.92 0.00 -0.16 1.35 -0.36 0.14 112.91 115.42 1cye h THR 71 Ca 0.15 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.01 1cye h THR 71 Cb 0.28 0.93 -0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1cye h THR 71 CO -0.00 0.00 -0.00 0.40 -0.25 0.00 0.00 175.52 175.67 1cye h ILE 72 N 0.00 0.61 -0.48 6.82 2.04 -0.65 -3.32 117.51 122.53 1cye h ILE 72 Ca 0.07 -1.46 0.08 0.00 1.00 0.00 0.00 64.86 64.55 1cye h ILE 72 Cb 0.27 1.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 1cye h ILE 72 CO -0.00 0.21 0.10 0.03 0.00 0.00 0.00 178.15 178.49 1cye h ARG 73 N -1.00 0.23 0.00 2.37 2.47 -0.59 -1.60 114.38 116.26 1cye h ARG 73 Ca -0.00 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1cye h ARG 73 Cb 0.34 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1cye h ARG 73 CO -0.00 0.15 -0.04 0.00 0.56 0.00 0.00 179.97 180.64 1cye h ALA 74 N 1.37 1.56 -1.85 0.04 0.00 -0.91 -3.38 119.26 116.08 1cye h ALA 74 Ca 0.24 -0.04 -0.60 0.00 0.00 0.00 0.00 54.91 54.51 1cye h ALA 74 Cb 0.31 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.98 1cye h ALA 74 CO -0.31 0.05 0.61 0.34 0.00 0.00 0.00 179.25 179.95 1cye s ASP 75 N -6.37 6.44 0.06 0.00 -1.08 -0.61 -4.96 116.67 110.14 1cye s ASP 75 Ca -0.04 -0.05 -0.12 0.00 -0.52 0.00 0.00 52.55 51.82 1cye s ASP 75 Cb 0.15 -2.45 -0.03 0.00 -1.46 0.00 0.00 42.92 39.13 1cye s ASP 75 CO 0.59 -1.15 0.66 0.61 0.52 0.00 0.00 175.17 176.40 1cye n GLY 76 N 5.01 -1.23 0.11 2.66 0.00 -1.26 -1.00 105.19 109.47 1cye n GLY 76 Ca 0.05 0.50 -0.11 0.00 0.00 0.00 0.00 46.02 46.45 1cye n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cye h ALA 77 N 0.11 0.22 0.00 4.61 0.00 -1.93 -3.15 119.26 119.12 1cye h ALA 77 Ca 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1cye h ALA 77 Cb 0.15 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1cye h ALA 77 CO -0.35 -0.19 -0.09 0.52 0.00 0.00 0.00 179.25 179.14 1cye h MET 78 N 0.11 0.00 -1.15 0.00 2.86 -1.39 -3.26 114.93 112.10 1cye h MET 78 Ca 0.06 0.00 0.33 0.00 -2.06 0.00 0.00 59.70 58.03 1cye h MET 78 Cb 0.18 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.74 1cye h MET 78 CO -0.00 0.09 0.75 0.66 1.06 0.00 0.00 176.91 179.47 1cye h SER 79 N 0.00 0.34 1.29 1.22 4.64 -1.02 -0.05 113.55 119.97 1cye h SER 79 Ca -0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1cye h SER 79 Cb 0.49 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1cye h SER 79 CO 0.01 -0.02 -0.02 0.00 -0.87 0.00 0.00 176.83 175.94 1cye n ALA 80 N -2.51 2.33 -2.58 5.18 0.00 -1.23 -4.83 120.51 116.86 1cye n ALA 80 Ca 0.30 -0.06 -0.43 0.00 0.00 0.00 0.00 53.44 53.25 1cye n ALA 80 Cb 1.10 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 19.08 1cye n ALA 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1cye s LEU 81 N -3.99 3.71 0.24 0.00 1.43 -0.03 -4.98 118.68 115.05 1cye s LEU 81 Ca 0.12 0.68 -0.31 0.00 -1.03 0.00 0.00 54.13 53.59 1cye s LEU 81 Cb 0.15 -3.55 -0.14 0.00 0.03 0.00 0.00 46.19 42.68 1cye s LEU 81 CO 0.58 -1.17 1.21 -0.81 0.23 0.00 0.00 176.35 176.38 1cye n PRO 82 N 7.61 1.55 -4.48 1.29 -0.04 -1.26 -4.77 135.00 134.89 1cye n PRO 82 Ca 0.13 0.55 -0.33 0.00 -0.04 0.00 0.00 63.50 63.81 1cye n PRO 82 Cb 0.48 -2.07 -0.16 0.00 -0.04 0.00 0.00 33.50 31.71 1cye n PRO 82 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1cye s VAL 83 N -0.45 2.05 -0.32 0.52 1.01 -1.26 -0.59 120.40 121.37 1cye s VAL 83 Ca 0.66 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 1cye s VAL 83 Cb -0.73 -1.83 0.04 0.00 0.00 0.00 0.00 36.38 33.87 1cye s VAL 83 CO 0.54 0.55 0.04 -0.22 0.00 0.00 0.00 175.10 176.01 1cye s LEU 84 N 0.98 4.06 -0.57 3.92 1.98 0.89 -1.25 118.68 128.68 1cye s LEU 84 Ca -0.03 -1.20 -0.25 0.00 -2.89 0.00 0.00 54.13 49.76 1cye s LEU 84 Cb -0.15 -1.78 0.04 0.00 0.66 0.00 0.00 46.19 44.96 1cye s LEU 84 CO -0.06 -0.28 0.99 -0.04 -1.89 0.00 0.00 176.35 175.07 1cye s MET 85 N 1.32 3.34 -0.58 1.98 -1.94 0.03 -0.42 119.30 123.04 1cye s MET 85 Ca -0.04 -0.22 -0.22 0.00 -1.71 0.00 0.00 55.69 53.51 1cye s MET 85 Cb -0.20 -4.06 0.06 0.00 2.01 0.00 0.00 34.83 32.64 1cye s MET 85 CO 0.01 -1.56 0.85 0.08 -0.01 0.00 0.00 175.02 174.39 1cye s VAL 86 N 4.17 4.53 -0.10 -6.03 1.01 0.90 -0.81 120.40 124.06 1cye s VAL 86 Ca 0.32 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 1cye s VAL 86 Cb -0.12 -4.52 -0.03 0.00 0.00 0.00 0.00 36.38 31.71 1cye s VAL 86 CO 0.19 -1.14 0.01 0.28 0.00 0.00 0.00 175.10 174.45 1cye s THR 87 N 3.55 4.40 0.44 3.92 -1.32 0.06 -0.30 115.64 126.39 1cye s THR 87 Ca 0.23 -0.21 0.20 0.00 -1.21 0.00 0.00 61.69 60.69 1cye s THR 87 Cb -0.16 -2.87 0.22 0.00 -1.51 0.00 0.00 72.50 68.18 1cye s THR 87 CO 0.14 0.59 2.02 0.00 -2.21 0.00 0.00 174.62 175.15 1cye h ALA 88 N 5.39 1.52 -1.89 11.08 0.00 -1.91 -2.11 119.26 131.34 1cye h ALA 88 Ca -0.48 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.15 1cye h ALA 88 Cb 1.19 -0.03 -0.29 0.00 0.00 0.00 0.00 17.79 18.67 1cye h ALA 88 CO 0.57 0.21 -0.45 -2.00 0.00 0.00 0.00 179.25 177.57 1cye s GLU 89 N -4.45 0.36 -1.10 0.00 2.12 -1.26 -4.76 118.70 109.61 1cye s GLU 89 Ca -0.03 0.62 -0.22 0.00 0.36 0.00 0.00 54.97 55.70 1cye s GLU 89 Cb 0.15 -0.33 0.04 0.00 0.26 0.00 0.00 34.13 34.25 1cye s GLU 89 CO 0.65 -0.60 1.61 0.00 -0.54 0.00 0.00 175.26 176.38 1cye s ALA 90 N 2.57 2.74 0.08 6.30 0.00 -1.26 -4.89 121.76 127.31 1cye s ALA 90 Ca 0.12 -2.38 0.09 0.00 0.00 0.00 0.00 51.96 49.79 1cye s ALA 90 Cb -0.15 -4.58 -0.03 0.00 0.00 0.00 0.00 23.12 18.36 1cye s ALA 90 CO -0.16 -3.73 -0.24 0.21 0.00 0.00 0.00 175.76 171.84 1cye s LYS 91 N 5.03 1.70 0.14 0.00 2.20 -1.26 -5.02 119.74 122.54 1cye s LYS 91 Ca 0.52 -1.18 -0.14 0.00 -0.36 0.00 0.00 55.97 54.81 1cye s LYS 91 Cb 0.01 -2.00 0.11 0.00 -1.51 0.00 0.00 37.83 34.43 1cye s LYS 91 CO -0.02 0.49 1.05 1.63 -0.36 0.00 0.00 175.35 178.14 1cye n LYS 92 N 1.30 -0.19 -0.11 4.03 4.76 -1.26 -0.84 118.16 125.85 1cye n LYS 92 Ca -0.17 1.04 -0.05 0.00 -2.87 0.00 0.00 58.31 56.26 1cye n LYS 92 Cb 0.52 -1.53 0.01 0.00 -1.84 0.00 0.00 35.03 32.19 1cye n LYS 92 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1cye h GLU 93 N 0.00 0.04 -0.09 1.97 4.57 -1.98 0.85 114.58 119.95 1cye h GLU 93 Ca 0.20 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1cye h GLU 93 Cb 0.37 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1cye h GLU 93 CO -0.66 0.03 0.06 -0.97 -1.18 0.00 0.00 179.01 176.28 1cye h ASN 94 N 0.05 0.11 0.24 1.04 -0.00 -1.33 -1.14 115.58 114.54 1cye h ASN 94 Ca 0.18 -0.04 -0.00 0.00 -0.00 0.00 0.00 56.30 56.44 1cye h ASN 94 Cb 0.27 -0.03 -0.01 0.00 -0.00 0.00 0.00 38.32 38.55 1cye h ASN 94 CO -0.35 0.11 -0.17 0.40 -0.00 0.00 0.00 177.43 177.43 1cye h ILE 95 N 0.09 0.64 0.12 2.57 2.04 -0.42 -0.31 117.51 122.24 1cye h ILE 95 Ca 0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.91 1cye h ILE 95 Cb 0.02 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 1cye h ILE 95 CO -0.01 0.00 -0.26 0.40 0.00 0.00 0.00 178.15 178.28 1cye h ILE 96 N -0.41 0.42 -0.48 -0.67 2.04 -0.77 -1.62 117.51 116.02 1cye h ILE 96 Ca -0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.91 1cye h ILE 96 Cb 0.36 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 1cye h ILE 96 CO 0.01 0.00 0.13 0.00 0.00 0.00 0.00 178.15 178.28 1cye h ALA 97 N 0.26 0.55 0.77 1.87 0.00 -1.09 -1.06 119.26 120.56 1cye h ALA 97 Ca 0.03 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1cye h ALA 97 Cb 0.50 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1cye h ALA 97 CO -0.15 -0.27 -0.40 0.00 0.00 0.00 0.00 179.25 178.43 1cye h ALA 98 N 1.35 -1.08 -0.18 0.00 0.00 -0.68 -1.55 119.26 117.11 1cye h ALA 98 Ca 0.23 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1cye h ALA 98 Cb 0.28 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1cye h ALA 98 CO -0.28 -1.11 0.04 0.00 0.00 0.00 0.00 179.25 177.91 1cye h ALA 99 N -0.86 0.19 0.00 0.00 0.00 -1.08 -0.91 119.26 116.60 1cye h ALA 99 Ca -0.10 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1cye h ALA 99 Cb 0.83 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1cye h ALA 99 CO 0.16 -0.39 -0.16 1.96 0.00 0.00 0.00 179.25 180.82 1cye h GLN 100 N 0.12 0.00 -0.06 0.00 4.20 -1.17 -1.30 115.11 116.90 1cye h GLN 100 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1cye h GLN 100 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1cye h GLN 100 CO -0.10 0.16 0.00 0.00 -0.67 0.00 0.00 178.83 178.22 1cye n ALA 101 N -2.30 2.57 0.00 3.87 0.00 -0.59 -4.92 120.51 119.14 1cye n ALA 101 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1cye n ALA 101 Cb 0.28 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1cye n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cye n GLY 102 N 1.13 0.93 3.66 0.00 0.00 -0.49 -4.45 105.19 105.97 1cye n GLY 102 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1cye n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cye s ALA 103 N -2.00 3.58 0.44 4.61 0.00 -0.39 -4.77 121.76 123.23 1cye s ALA 103 Ca 0.00 1.18 0.13 0.00 0.00 0.00 0.00 51.96 53.27 1cye s ALA 103 Cb 0.00 -3.82 0.97 0.00 0.00 0.00 0.00 23.12 20.28 1cye s ALA 103 CO 0.00 -1.53 1.99 0.77 0.00 0.00 0.00 175.76 176.98 1cye h SER 104 N 10.30 0.05 -5.30 0.00 0.02 -1.50 -3.38 113.55 113.73 1cye h SER 104 Ca -0.46 -0.01 0.29 0.00 -0.84 0.00 0.00 61.79 60.77 1cye h SER 104 Cb 1.22 -0.01 -0.14 0.00 0.14 0.00 0.00 62.40 63.61 1cye h SER 104 CO 0.95 0.21 0.79 -0.83 -1.14 0.00 0.00 176.83 176.81 1cye s GLY 105 N -4.15 -0.37 -0.04 -3.77 0.00 -0.93 -4.88 107.32 93.18 1cye s GLY 105 Ca -0.04 0.90 -0.03 0.00 0.00 0.00 0.00 44.72 45.55 1cye s GLY 105 CO 0.70 0.23 0.09 -2.52 0.00 0.00 0.00 173.10 171.60 1cye s TYR 106 N -2.51 -0.10 -0.05 1.90 1.13 -1.26 -0.79 117.35 115.67 1cye s TYR 106 Ca 0.12 0.26 0.02 0.00 -1.41 0.00 0.00 57.07 56.07 1cye s TYR 106 Cb 0.03 0.01 0.01 0.00 -1.10 0.00 0.00 41.96 40.91 1cye s TYR 106 CO -0.04 -0.06 -0.11 0.54 -2.51 0.00 0.00 175.55 173.37 1cye s VAL 107 N 0.22 1.01 0.12 -3.49 0.11 0.01 -4.92 120.40 113.45 1cye s VAL 107 Ca -0.01 -0.42 -0.30 0.00 -2.93 0.00 0.00 61.98 58.32 1cye s VAL 107 Cb -0.02 -0.92 -0.06 0.00 -1.53 0.00 0.00 36.38 33.84 1cye s VAL 107 CO -0.01 0.32 0.99 0.54 -3.33 0.00 0.00 175.10 173.61 1cye s VAL 108 N 0.59 4.39 0.08 2.04 0.11 -1.26 -0.76 120.40 125.60 1cye s VAL 108 Ca -0.12 2.00 -0.24 0.00 -2.93 0.00 0.00 61.98 60.69 1cye s VAL 108 Cb -0.14 -4.28 -0.06 0.00 -1.53 0.00 0.00 36.38 30.37 1cye s VAL 108 CO 0.03 0.31 0.74 -1.59 -3.33 0.00 0.00 175.10 171.26 1cye s LYS 109 N -0.05 4.49 0.36 1.54 -2.85 -0.79 -3.69 119.74 118.74 1cye s LYS 109 Ca 0.47 1.05 -0.11 0.00 -1.00 0.00 0.00 55.97 56.39 1cye s LYS 109 Cb -0.24 -3.32 -0.07 0.00 -2.06 0.00 0.00 37.83 32.14 1cye s LYS 109 CO 0.31 0.41 0.72 -1.25 0.10 0.00 0.00 175.35 175.63 1cye s PRO 110 N -0.49 3.81 0.07 1.78 0.04 -1.26 -4.92 135.00 134.03 1cye s PRO 110 Ca 0.36 0.44 0.05 0.00 0.04 0.00 0.00 61.00 61.89 1cye s PRO 110 Cb -0.21 -2.45 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 1cye s PRO 110 CO 0.23 0.06 -0.13 -0.59 0.04 0.00 0.00 177.00 176.62 1cye s PHE 111 N -2.21 1.15 0.41 0.56 -0.71 -1.24 -5.17 117.98 110.77 1cye s PHE 111 Ca 0.51 -0.48 0.08 0.00 -1.04 0.00 0.00 56.93 55.99 1cye s PHE 111 Cb -0.10 -0.65 0.00 0.00 -1.21 0.00 0.00 43.02 41.06 1cye s PHE 111 CO 0.27 0.04 0.51 -0.08 -1.34 0.00 0.00 175.22 174.62 1cye s THR 112 N -1.41 2.96 0.29 -4.49 -1.32 -1.26 -4.93 115.64 105.48 1cye s THR 112 Ca -0.02 -1.10 0.03 0.00 -1.21 0.00 0.00 61.69 59.40 1cye s THR 112 Cb -0.09 -3.02 0.28 0.00 -1.51 0.00 0.00 72.50 68.16 1cye s THR 112 CO 0.02 -0.01 1.71 0.00 -2.21 0.00 0.00 174.62 174.13 1cye h ALA 113 N 0.76 1.44 0.19 11.08 0.00 -1.99 -0.72 119.26 130.03 1cye h ALA 113 Ca -0.41 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1cye h ALA 113 Cb 1.27 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1cye h ALA 113 CO 0.49 -0.28 -0.09 0.00 0.00 0.00 0.00 179.25 179.37 1cye h ALA 114 N 1.68 -0.26 -0.23 0.00 0.00 -1.97 0.52 119.26 119.00 1cye h ALA 114 Ca 0.55 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.41 1cye h ALA 114 Cb 0.99 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1cye h ALA 114 CO -0.49 -0.62 0.03 1.15 0.00 0.00 0.00 179.25 179.33 1cye h THR 115 N -0.32 0.88 0.06 0.00 2.02 -1.72 -0.89 112.91 112.94 1cye h THR 115 Ca -0.03 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.13 1cye h THR 115 Cb 0.25 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 1cye h THR 115 CO 0.04 0.02 -0.17 0.25 0.37 0.00 0.00 175.52 176.03 1cye h LEU 116 N 0.12 -0.49 -0.32 2.58 5.85 -1.00 -2.74 115.31 119.31 1cye h LEU 116 Ca 0.11 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.95 1cye h LEU 116 Cb 0.11 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 1cye h LEU 116 CO -0.15 -0.25 0.01 -0.08 -0.34 0.00 0.00 178.44 177.63 1cye h GLU 117 N -0.32 0.10 -0.64 1.25 4.22 -0.43 -0.92 114.58 117.85 1cye h GLU 117 Ca 0.04 -0.01 0.13 0.00 0.08 0.00 0.00 59.36 59.60 1cye h GLU 117 Cb 0.36 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.49 1cye h GLU 117 CO -0.12 0.07 0.13 0.93 -2.18 0.00 0.00 179.01 177.83 1cye h GLU 118 N 0.11 0.24 0.15 1.92 5.08 -0.91 -0.67 114.58 120.49 1cye h GLU 118 Ca 0.15 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1cye h GLU 118 Cb 0.20 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1cye h GLU 118 CO -0.25 0.16 -0.07 0.87 -1.00 0.00 0.00 179.01 178.72 1cye h LYS 119 N 0.25 -0.19 -0.54 2.33 1.57 -1.09 -3.00 116.57 115.90 1cye h LYS 119 Ca 0.34 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.24 1cye h LYS 119 Cb 0.53 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 32.78 1cye h LYS 119 CO -0.44 0.17 -0.20 -0.07 -0.57 0.00 0.00 179.45 178.33 1cye h LEU 120 N -0.59 -0.72 -0.02 2.94 3.38 -0.55 -0.18 115.31 119.57 1cye h LEU 120 Ca -0.02 0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.17 1cye h LEU 120 Cb 0.45 0.41 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 1cye h LEU 120 CO 0.03 -0.23 -0.35 0.78 0.09 0.00 0.00 178.44 178.76 1cye h ASN 121 N -0.08 -1.07 -0.88 -0.43 4.21 -1.18 -2.19 115.58 113.97 1cye h ASN 121 Ca 0.25 0.14 -0.02 0.00 1.21 0.00 0.00 56.30 57.88 1cye h ASN 121 Cb 0.47 0.43 -0.04 0.00 -1.12 0.00 0.00 38.32 38.05 1cye h ASN 121 CO -0.60 -0.41 0.48 0.50 -1.29 0.00 0.00 177.43 176.12 1cye h LYS 122 N -0.50 1.23 -0.19 0.81 3.64 -1.12 -2.95 116.57 117.49 1cye h LYS 122 Ca 0.06 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1cye h LYS 122 Cb 0.59 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1cye h LYS 122 CO -0.29 0.90 0.03 0.82 -2.27 0.00 0.00 179.45 178.63 1cye h ILE 123 N 1.24 0.90 -0.67 2.00 1.08 -0.46 -1.96 117.51 119.63 1cye h ILE 123 Ca 0.31 -0.03 0.12 0.00 -0.39 0.00 0.00 64.86 64.87 1cye h ILE 123 Cb 0.03 0.79 -0.09 0.00 -3.07 0.00 0.00 36.82 34.48 1cye h ILE 123 CO -0.05 0.02 0.23 -0.26 -0.69 0.00 0.00 178.15 177.40 1cye h PHE 124 N 0.10 0.39 0.32 1.37 0.04 -1.28 0.32 116.94 118.20 1cye h PHE 124 Ca 0.09 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 1cye h PHE 124 Cb 0.09 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.17 1cye h PHE 124 CO -0.15 0.04 -0.18 1.49 -0.60 0.00 0.00 178.31 178.91 1cye h GLU 125 N 0.38 -0.45 -0.73 1.51 4.81 -1.49 -0.72 114.58 117.89 1cye h GLU 125 Ca 0.36 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.64 1cye h GLU 125 Cb 0.52 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 1cye h GLU 125 CO -0.38 -0.30 0.47 0.87 -0.73 0.00 0.00 179.01 178.94 1cye h LYS 126 N -0.47 0.91 0.00 1.92 1.57 -0.59 -1.93 116.57 117.97 1cye h LYS 126 Ca -0.04 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1cye h LYS 126 Cb 0.38 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1cye h LYS 126 CO 0.05 0.60 0.00 1.28 -0.57 0.00 0.00 179.45 180.81 1cye n LEU 127 N -4.61 0.00 0.00 2.94 7.99 0.03 -4.88 117.00 118.47 1cye n LEU 127 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.07 1cye n LEU 127 Cb 0.05 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.36 1cye n LEU 127 CO 0.34 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.83 1cye n GLY 128 N 0.52 2.35 0.00 -0.72 0.00 -0.73 -5.05 105.19 101.56 1cye n GLY 128 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.12 1cye n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35