#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 0.73 0.20 2.89 7.64 -1.26 -4.80 113.62 119.02 1cye n SER 2 Ca 0.00 -2.07 0.06 0.00 1.01 0.00 0.00 58.87 57.87 1cye n SER 2 Cb 0.00 -1.49 0.53 0.00 -1.01 0.00 0.00 64.21 62.24 1cye n SER 2 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 1cye h ASP 3 N 11.39 0.07 0.00 6.43 3.04 -1.99 -3.47 116.42 131.89 1cye h ASP 3 Ca 0.00 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 1cye h ASP 3 Cb 1.01 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.28 1cye h ASP 3 CO 1.03 0.16 0.00 0.29 -2.04 0.00 0.00 179.24 178.68 1cye n LYS 4 N -4.41 0.00 -1.54 4.15 5.02 -1.26 -4.72 118.16 115.40 1cye n LYS 4 Ca -0.02 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.99 1cye n LYS 4 Cb 0.18 -0.23 -0.05 0.00 -0.02 0.00 0.00 35.03 34.90 1cye n LYS 4 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1cye n GLU 5 N 0.00 2.69 -4.70 1.97 4.07 -1.26 -3.88 120.64 119.52 1cye n GLU 5 Ca 0.00 -2.46 -0.33 0.00 -0.06 0.00 0.00 57.16 54.31 1cye n GLU 5 Cb 0.00 -2.21 -0.14 0.00 -0.06 0.00 0.00 31.44 29.04 1cye n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 1cye s LEU 6 N -2.11 2.84 -0.43 4.31 0.20 -1.26 -5.03 118.68 117.20 1cye s LEU 6 Ca 0.59 -0.27 -0.24 0.00 0.69 0.00 0.00 54.13 54.89 1cye s LEU 6 Cb 0.36 -1.65 0.02 0.00 -0.43 0.00 0.00 46.19 44.49 1cye s LEU 6 CO -0.20 0.18 0.85 -0.75 -0.29 0.00 0.00 176.35 176.15 1cye s LYS 7 N 0.25 3.56 0.00 1.98 2.20 -1.25 -4.03 119.74 122.45 1cye s LYS 7 Ca -0.08 0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 1cye s LYS 7 Cb -0.15 -3.90 -0.04 0.00 -1.51 0.00 0.00 37.83 32.23 1cye s LYS 7 CO 0.05 -1.10 0.05 -0.06 -0.36 0.00 0.00 175.35 173.93 1cye s PHE 8 N 3.46 3.19 -0.29 4.03 0.40 0.12 -0.77 117.98 128.12 1cye s PHE 8 Ca 0.34 0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.85 1cye s PHE 8 Cb -0.11 -1.70 0.08 0.00 0.51 0.00 0.00 43.02 41.79 1cye s PHE 8 CO 0.23 0.51 -0.02 -1.17 0.70 0.00 0.00 175.22 175.47 1cye s LEU 9 N -1.69 3.82 -0.41 -0.37 1.98 -0.63 -0.69 118.68 120.69 1cye s LEU 9 Ca 0.22 -1.71 -0.27 0.00 -2.89 0.00 0.00 54.13 49.48 1cye s LEU 9 Cb -0.12 -1.49 0.02 0.00 0.66 0.00 0.00 46.19 45.26 1cye s LEU 9 CO 0.13 -0.29 0.99 -0.69 -1.89 0.00 0.00 176.35 174.60 1cye s VAL 10 N 1.09 4.46 -0.51 1.68 1.01 0.09 -1.02 120.40 127.18 1cye s VAL 10 Ca 0.01 1.15 -0.04 0.00 0.00 0.00 0.00 61.98 63.10 1cye s VAL 10 Cb -0.19 -4.43 0.13 0.00 0.00 0.00 0.00 36.38 31.89 1cye s VAL 10 CO -0.08 -0.72 0.33 -0.69 0.00 0.00 0.00 175.10 173.95 1cye s VAL 11 N 3.80 3.64 -0.03 2.92 1.01 0.14 0.00 120.40 131.89 1cye s VAL 11 Ca 0.41 -2.39 0.00 0.00 0.00 0.00 0.00 61.98 60.01 1cye s VAL 11 Cb -0.10 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.88 1cye s VAL 11 CO 0.23 -0.79 0.01 -0.62 0.00 0.00 0.00 175.10 173.93 1cye s ASP 12 N 1.50 0.30 0.34 3.32 -1.08 -0.65 -0.74 116.67 119.67 1cye s ASP 12 Ca 0.12 -0.01 0.27 0.00 -0.52 0.00 0.00 52.55 52.40 1cye s ASP 12 Cb -0.22 -0.17 1.02 0.00 -1.46 0.00 0.00 42.92 42.10 1cye s ASP 12 CO -0.04 -0.10 1.79 -2.24 0.52 0.00 0.00 175.17 175.10 1cye h ASP 13 N 7.21 0.00 -3.68 -0.34 2.03 -1.66 -3.41 116.42 116.57 1cye h ASP 13 Ca -0.43 0.00 -0.68 0.00 -0.73 0.00 0.00 57.03 55.19 1cye h ASP 13 Cb 1.13 0.00 -0.20 0.00 -0.83 0.00 0.00 39.33 39.43 1cye h ASP 13 CO 0.48 0.00 -0.49 0.12 -1.03 0.00 0.00 179.24 178.32 1cye s PHE 14 N -3.37 3.22 0.18 4.15 5.36 -1.26 -5.00 117.98 121.26 1cye s PHE 14 Ca 0.04 -0.35 -0.26 0.00 -0.96 0.00 0.00 56.93 55.41 1cye s PHE 14 Cb 0.09 -2.46 0.05 0.00 -0.34 0.00 0.00 43.02 40.36 1cye s PHE 14 CO 0.48 -0.41 1.55 0.66 -1.46 0.00 0.00 175.22 176.03 1cye h SER 15 N 8.47 -1.84 -0.16 6.13 4.64 -2.00 0.11 113.55 128.91 1cye h SER 15 Ca -0.31 0.31 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1cye h SER 15 Cb 1.15 0.85 -0.01 0.00 -0.31 0.00 0.00 62.40 64.09 1cye h SER 15 CO 0.64 -0.27 0.06 0.71 -0.87 0.00 0.00 176.83 177.11 1cye h THR 16 N -0.04 1.15 -0.73 2.95 1.35 -1.95 -2.65 112.91 113.00 1cye h THR 16 Ca 0.22 -0.45 -0.01 0.00 -0.55 0.00 0.00 66.41 65.62 1cye h THR 16 Cb 0.50 1.16 -0.04 0.00 -1.73 0.00 0.00 68.15 68.04 1cye h THR 16 CO -0.92 0.14 0.43 -0.03 -0.25 0.00 0.00 175.52 174.89 1cye h MET 17 N 0.10 0.98 0.02 4.72 -1.53 -1.69 -1.23 114.93 116.31 1cye h MET 17 Ca 0.05 -0.09 0.00 0.00 -3.44 0.00 0.00 59.70 56.23 1cye h MET 17 Cb 0.17 -0.21 -0.01 0.00 -0.55 0.00 0.00 31.60 31.00 1cye h MET 17 CO -0.00 0.69 -0.03 -0.09 0.14 0.00 0.00 176.91 177.62 1cye h ARG 18 N 1.00 -0.07 -0.69 0.39 2.43 -0.62 -1.94 114.38 114.89 1cye h ARG 18 Ca 0.26 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1cye h ARG 18 Cb -0.03 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1cye h ARG 18 CO -0.05 -0.04 0.42 0.00 -1.51 0.00 0.00 179.97 178.79 1cye h ARG 19 N -0.07 0.93 -0.01 0.20 2.47 -1.05 -2.57 114.38 114.28 1cye h ARG 19 Ca 0.01 -0.08 0.03 0.00 -1.26 0.00 0.00 59.98 58.67 1cye h ARG 19 Cb 0.08 -0.20 -0.04 0.00 -1.65 0.00 0.00 29.97 28.17 1cye h ARG 19 CO -0.02 0.66 -0.18 0.82 0.56 0.00 0.00 179.97 181.81 1cye h ILE 20 N 0.94 0.57 -0.33 2.04 2.04 -0.94 0.18 117.51 122.00 1cye h ILE 20 Ca 0.25 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.16 1cye h ILE 20 Cb -0.03 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 1cye h ILE 20 CO -0.05 0.00 0.07 0.58 0.00 0.00 0.00 178.15 178.75 1cye h VAL 21 N -0.28 0.84 -0.19 1.67 2.07 -1.02 0.06 116.25 119.39 1cye h VAL 21 Ca 0.06 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1cye h VAL 21 Cb 0.36 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1cye h VAL 21 CO -0.17 0.03 -0.08 -0.09 0.02 0.00 0.00 177.57 177.28 1cye h ARG 22 N 0.19 -0.05 -0.46 1.57 2.43 -1.04 -1.57 114.38 115.45 1cye h ARG 22 Ca 0.16 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1cye h ARG 22 Cb 0.17 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 1cye h ARG 22 CO -0.20 -0.03 0.28 -0.91 -1.51 0.00 0.00 179.97 177.59 1cye h ASN 23 N -0.05 0.46 -0.22 -3.80 -0.26 -0.28 -2.17 115.58 109.26 1cye h ASN 23 Ca 0.10 0.00 0.05 0.00 -0.56 0.00 0.00 56.30 55.89 1cye h ASN 23 Cb 0.21 -0.10 -0.05 0.00 -1.06 0.00 0.00 38.32 37.32 1cye h ASN 23 CO -0.23 0.33 -0.12 -0.07 -1.06 0.00 0.00 177.43 176.28 1cye h LEU 24 N 0.56 -0.38 -0.48 1.61 3.38 -0.48 -1.13 115.31 118.39 1cye h LEU 24 Ca 0.18 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.30 1cye h LEU 24 Cb -0.00 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1cye h LEU 24 CO -0.08 -0.15 0.19 -0.07 0.09 0.00 0.00 178.44 178.42 1cye h LEU 25 N -0.09 0.22 -0.47 1.67 3.38 -1.01 -1.26 115.31 117.74 1cye h LEU 25 Ca 0.12 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.20 1cye h LEU 25 Cb 0.27 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1cye h LEU 25 CO -0.28 0.16 0.17 0.11 0.09 0.00 0.00 178.44 178.69 1cye h LYS 26 N 0.38 0.34 -0.98 1.13 1.57 -0.88 -0.05 116.57 118.08 1cye h LYS 26 Ca 0.22 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1cye h LYS 26 Cb 0.20 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 1cye h LYS 26 CO -0.21 0.23 0.65 0.93 -0.57 0.00 0.00 179.45 180.47 1cye h GLU 27 N 0.35 1.25 0.00 3.15 5.08 -0.59 -1.27 114.58 122.55 1cye h GLU 27 Ca 0.22 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1cye h GLU 27 Cb 0.22 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1cye h GLU 27 CO -0.22 0.83 0.00 1.28 -1.00 0.00 0.00 179.01 179.90 1cye n LEU 28 N -4.41 0.41 0.00 1.33 4.77 -0.53 -4.90 117.00 113.67 1cye n LEU 28 Ca 0.12 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.68 1cye n LEU 28 Cb 0.05 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1cye n LEU 28 CO 0.36 -0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 1cye n GLY 29 N 0.56 1.42 2.50 -0.72 0.00 -0.48 -4.96 105.19 103.51 1cye n GLY 29 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.09 2.70 0.38 1.61 3.72 -0.12 -4.69 117.46 119.98 1cye n PHE 30 Ca 0.00 -2.95 0.11 0.00 -0.05 0.00 0.00 57.45 54.56 1cye n PHE 30 Cb 0.00 -2.21 0.46 0.00 -0.94 0.00 0.00 39.48 36.79 1cye n PHE 30 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1cye n ASN 31 N 3.33 0.52 -3.87 4.37 3.02 -1.26 -3.60 115.26 117.78 1cye n ASN 31 Ca 0.64 0.64 -0.42 0.00 -0.03 0.00 0.00 54.58 55.41 1cye n ASN 31 Cb 0.27 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 1cye n ASN 31 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1cye n ASN 32 N -2.09 4.73 -4.01 6.41 4.13 -1.26 -4.90 115.26 118.28 1cye n ASN 32 Ca 0.02 -3.02 -0.26 0.00 1.68 0.00 0.00 54.58 53.00 1cye n ASN 32 Cb 0.19 -1.54 -0.17 0.00 -1.54 0.00 0.00 39.78 36.72 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 1.36 1.22 0.28 2.41 0.11 -1.26 0.12 120.40 124.65 1cye s VAL 33 Ca 0.42 -0.49 0.11 0.00 -2.93 0.00 0.00 61.98 59.10 1cye s VAL 33 Cb 0.10 -1.14 -0.05 0.00 -1.53 0.00 0.00 36.38 33.76 1cye s VAL 33 CO -0.02 0.38 -0.18 -1.61 -3.33 0.00 0.00 175.10 170.34 1cye s GLU 34 N 1.00 1.67 -0.00 1.54 2.02 0.13 -4.99 118.70 120.07 1cye s GLU 34 Ca -0.08 -1.78 0.03 0.00 0.02 0.00 0.00 54.97 53.16 1cye s GLU 34 Cb -0.15 -1.72 -0.01 0.00 0.10 0.00 0.00 34.13 32.35 1cye s GLU 34 CO -0.01 0.30 -0.08 -1.83 0.02 0.00 0.00 175.26 173.66 1cye s GLU 35 N -3.53 0.66 0.24 1.61 -1.05 -1.26 -0.73 118.70 114.64 1cye s GLU 35 Ca 0.30 -0.35 0.09 0.00 -0.15 0.00 0.00 54.97 54.86 1cye s GLU 35 Cb -0.04 -0.63 -0.05 0.00 -0.44 0.00 0.00 34.13 32.97 1cye s GLU 35 CO 0.15 0.17 -0.15 0.00 0.95 0.00 0.00 175.26 176.38 1cye s ALA 36 N -0.31 2.29 -0.22 -0.84 0.00 0.10 -4.95 121.76 117.84 1cye s ALA 36 Ca 0.02 -1.76 0.01 0.00 0.00 0.00 0.00 51.96 50.22 1cye s ALA 36 Cb -0.04 -0.10 -0.20 0.00 0.00 0.00 0.00 23.12 22.79 1cye s ALA 36 CO -0.00 0.11 -0.06 0.39 0.00 0.00 0.00 175.76 176.20 1cye n GLU 37 N -0.48 0.68 -4.25 0.00 1.02 -1.26 -1.63 120.64 114.71 1cye n GLU 37 Ca -0.07 0.17 -0.14 0.00 -0.02 0.00 0.00 57.16 57.10 1cye n GLU 37 Cb 0.61 -1.57 -0.10 0.00 -0.02 0.00 0.00 31.44 30.36 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 -6.60 0.65 0.19 1.62 1.47 -1.26 -2.44 116.67 110.30 1cye s ASP 38 Ca -0.30 -1.40 -0.21 0.00 1.18 0.00 0.00 52.55 51.82 1cye s ASP 38 Cb 0.08 0.30 0.12 0.00 -0.34 0.00 0.00 42.92 43.08 1cye s ASP 38 CO 0.65 -0.80 1.59 1.23 0.68 0.00 0.00 175.17 178.52 1cye h GLY 39 N 2.50 -0.11 0.78 2.12 0.00 -1.52 -1.12 103.07 105.73 1cye h GLY 39 Ca -0.37 0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 1cye h GLY 39 CO 0.56 -0.21 -0.24 -2.08 0.00 0.00 0.00 176.54 174.57 1cye h VAL 40 N -0.16 0.49 -0.82 4.60 2.07 -1.88 -0.98 116.25 119.57 1cye h VAL 40 Ca 0.23 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.87 1cye h VAL 40 Cb 0.55 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 1cye h VAL 40 CO -0.68 0.00 0.54 -0.78 0.02 0.00 0.00 177.57 176.66 1cye h ASP 41 N -0.54 0.62 0.05 0.57 3.58 -1.81 -1.20 116.42 117.70 1cye h ASP 41 Ca -0.02 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1cye h ASP 41 Cb 0.48 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1cye h ASP 41 CO -0.02 0.35 -0.03 0.00 -2.88 0.00 0.00 179.24 176.66 1cye h ALA 42 N 1.60 -0.07 -0.57 -0.78 0.00 -0.65 -1.62 119.26 117.17 1cye h ALA 42 Ca 0.39 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.22 1cye h ALA 42 Cb 0.59 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1cye h ALA 42 CO -0.16 -0.37 0.20 -0.07 0.00 0.00 0.00 179.25 178.85 1cye h LEU 43 N -0.41 0.19 0.11 0.00 3.38 -0.21 0.21 115.31 118.59 1cye h LEU 43 Ca -0.01 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1cye h LEU 43 Cb 0.36 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1cye h LEU 43 CO 0.01 0.12 -0.18 0.78 0.09 0.00 0.00 178.44 179.27 1cye h ASN 44 N 0.38 -0.49 -0.52 -0.43 -0.26 -1.22 0.16 115.58 113.21 1cye h ASN 44 Ca 0.28 0.06 0.05 0.00 -0.56 0.00 0.00 56.30 56.13 1cye h ASN 44 Cb 0.34 0.18 -0.05 0.00 -1.06 0.00 0.00 38.32 37.74 1cye h ASN 44 CO -0.29 -0.26 0.25 0.11 -1.06 0.00 0.00 177.43 176.19 1cye h LYS 45 N -0.35 0.48 -0.75 0.81 1.57 -0.69 -2.25 116.57 115.39 1cye h LYS 45 Ca 0.02 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1cye h LYS 45 Cb 0.36 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 1cye h LYS 45 CO -0.09 0.32 0.48 -0.07 -0.57 0.00 0.00 179.45 179.52 1cye h LEU 46 N 0.49 0.81 -1.93 2.94 3.38 0.13 -1.96 115.31 119.18 1cye h LEU 46 Ca 0.23 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1cye h LEU 46 Cb 0.15 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1cye h LEU 46 CO -0.17 0.57 -0.02 1.56 0.09 0.00 0.00 178.44 180.48 1cye h GLN 47 N 0.96 0.02 0.00 1.13 4.20 -0.17 -0.38 115.11 120.88 1cye h GLN 47 Ca 0.29 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1cye h GLN 47 Cb -0.04 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1cye h GLN 47 CO -0.09 0.04 0.00 0.00 -0.67 0.00 0.00 178.83 178.11 1cye h ALA 48 N 1.96 1.00 0.00 3.87 0.00 -0.80 -3.49 119.26 121.81 1cye h ALA 48 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1cye h ALA 48 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1cye h ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1cye n GLY 49 N -0.45 0.94 4.12 0.00 0.00 -0.15 -5.04 105.19 104.59 1cye n GLY 49 Ca -0.01 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 0.82 1.79 3.62 -0.02 0.00 -1.26 -4.79 105.19 105.35 1cye n GLY 50 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1cye n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cye s TYR 51 N 0.00 1.71 -0.78 1.61 2.02 -1.26 -4.60 117.35 116.05 1cye s TYR 51 Ca 0.00 0.42 0.17 0.00 -0.37 0.00 0.00 57.07 57.29 1cye s TYR 51 Cb 0.00 -4.04 0.76 0.00 -0.40 0.00 0.00 41.96 38.28 1cye s TYR 51 CO 0.00 -3.56 1.68 0.41 -1.57 0.00 0.00 175.55 172.51 1cye n GLY 52 N 5.07 2.88 3.64 0.71 0.00 0.05 -4.88 105.19 112.65 1cye n GLY 52 Ca 0.22 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.22 -0.57 -0.10 1.61 2.19 -1.15 -4.03 117.98 113.70 1cye s PHE 53 Ca 0.53 1.35 0.02 0.00 0.33 0.00 0.00 56.93 59.16 1cye s PHE 53 Cb 0.37 0.36 0.01 0.00 -1.31 0.00 0.00 43.02 42.45 1cye s PHE 53 CO 0.21 -0.28 -0.15 0.08 1.83 0.00 0.00 175.22 176.91 1cye s VAL 54 N 0.43 1.49 -0.43 3.12 1.01 0.68 -1.60 120.40 125.10 1cye s VAL 54 Ca 0.01 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 1cye s VAL 54 Cb -0.05 -1.36 0.11 0.00 0.00 0.00 0.00 36.38 35.09 1cye s VAL 54 CO -0.06 0.44 0.24 -0.63 0.00 0.00 0.00 175.10 175.08 1cye s ILE 55 N 0.89 3.45 -0.21 2.22 1.01 -0.19 -0.43 121.20 127.94 1cye s ILE 55 Ca -0.09 -2.05 -0.05 0.00 0.00 0.00 0.00 60.65 58.46 1cye s ILE 55 Cb -0.15 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 1cye s ILE 55 CO 0.00 -0.71 -0.01 -0.55 0.00 0.00 0.00 174.94 173.67 1cye s SER 56 N 1.91 4.74 0.01 3.58 0.15 0.24 0.28 113.70 124.61 1cye s SER 56 Ca 0.08 -0.24 -0.30 0.00 0.70 0.00 0.00 55.95 56.19 1cye s SER 56 Cb -0.23 -1.81 -0.05 0.00 -1.71 0.00 0.00 66.02 62.22 1cye s SER 56 CO -0.04 0.05 1.25 -0.62 1.20 0.00 0.00 173.24 175.08 1cye s ASP 57 N 1.11 7.00 0.17 5.45 2.15 0.08 -0.08 116.67 132.56 1cye s ASP 57 Ca 0.02 1.98 -0.16 0.00 0.43 0.00 0.00 52.55 54.83 1cye s ASP 57 Cb -0.14 -2.57 0.12 0.00 -0.30 0.00 0.00 42.92 40.03 1cye s ASP 57 CO 0.01 -0.58 1.68 -0.25 -0.17 0.00 0.00 175.17 175.87 1cye h TRP 58 N 7.26 -0.08 -2.54 -5.34 2.91 -0.87 -2.91 115.95 114.39 1cye h TRP 58 Ca -0.38 0.03 -0.65 0.00 1.13 0.00 0.00 58.89 59.02 1cye h TRP 58 Cb 1.19 0.10 -0.15 0.00 -0.51 0.00 0.00 29.16 29.78 1cye h TRP 58 CO 0.71 -0.12 0.64 0.54 -1.03 0.00 0.00 178.44 179.19 1cye s ASN 59 N -5.24 6.32 -0.02 2.65 4.22 -1.26 -1.17 114.94 120.43 1cye s ASN 59 Ca -0.14 -1.33 0.00 0.00 -2.14 0.00 0.00 52.86 49.26 1cye s ASN 59 Cb 0.15 -2.41 0.02 0.00 1.28 0.00 0.00 41.25 40.28 1cye s ASN 59 CO 0.71 -1.32 0.00 -0.04 -2.04 0.00 0.00 177.10 174.41 1cye s MET 60 N 3.65 0.21 0.60 3.55 -1.94 -1.25 -4.29 119.30 119.82 1cye s MET 60 Ca 0.26 0.06 -0.19 0.00 -1.71 0.00 0.00 55.69 54.11 1cye s MET 60 Cb -0.13 -0.37 -0.03 0.00 2.01 0.00 0.00 34.83 36.31 1cye s MET 60 CO 0.04 -0.10 1.19 -1.25 -0.01 0.00 0.00 175.02 174.89 1cye s PRO 61 N 0.77 2.98 0.00 2.03 0.04 -1.26 -2.91 135.00 136.65 1cye s PRO 61 Ca -0.07 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1cye s PRO 61 Cb -0.11 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1cye s PRO 61 CO -0.02 -1.19 0.00 0.09 0.04 0.00 0.00 177.00 175.92 1cye n ASN 62 N -1.64 0.00 -3.88 6.66 4.13 -1.26 -4.35 115.26 114.93 1cye n ASN 62 Ca 0.13 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.09 1cye n ASN 62 Cb 0.50 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.59 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 1.16 1.08 3.52 1.75 -1.26 -5.04 119.30 120.51 1cye s MET 63 Ca 0.00 -1.35 -0.13 0.00 -1.25 0.00 0.00 55.69 52.97 1cye s MET 63 Cb 0.00 -2.55 0.24 0.00 2.84 0.00 0.00 34.83 35.36 1cye s MET 63 CO 0.00 -0.89 1.06 0.16 -0.65 0.00 0.00 175.02 174.70 1cye s ASP 64 N 1.32 1.81 0.16 1.11 1.47 -1.15 -1.67 116.67 119.71 1cye s ASP 64 Ca 0.07 1.38 -0.21 0.00 1.18 0.00 0.00 52.55 54.96 1cye s ASP 64 Cb -0.18 -2.10 0.05 0.00 -0.34 0.00 0.00 42.92 40.35 1cye s ASP 64 CO -0.15 -3.67 1.63 1.23 0.68 0.00 0.00 175.17 174.89 1cye h GLY 65 N -2.26 -0.09 1.15 2.12 0.00 -0.93 -0.98 103.07 102.08 1cye h GLY 65 Ca -0.58 0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.05 1cye h GLY 65 CO 0.54 -0.20 0.57 -2.00 0.00 0.00 0.00 176.54 175.45 1cye h LEU 66 N -0.21 1.00 -0.43 3.11 5.85 -1.86 -0.29 115.31 122.48 1cye h LEU 66 Ca 0.16 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 1cye h LEU 66 Cb 0.45 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1cye h LEU 66 CO -0.42 0.72 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.04 1cye h GLU 67 N 1.18 0.78 -0.50 1.25 5.08 -1.69 -2.55 114.58 118.13 1cye h GLU 67 Ca 0.32 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1cye h GLU 67 Cb -0.13 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 1cye h GLU 67 CO -0.07 0.87 0.32 1.25 -1.00 0.00 0.00 179.01 180.38 1cye h LEU 68 N 0.61 0.55 -0.39 1.33 5.85 -0.46 -1.59 115.31 121.21 1cye h LEU 68 Ca 0.12 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.91 1cye h LEU 68 Cb 0.54 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.35 1cye h LEU 68 CO 0.03 0.39 -0.19 0.25 -0.34 0.00 0.00 178.44 178.58 1cye h LEU 69 N 0.65 -0.65 -0.29 2.25 6.46 -0.91 -1.63 115.31 121.18 1cye h LEU 69 Ca 0.19 0.15 0.01 0.00 -0.12 0.00 0.00 57.88 58.10 1cye h LEU 69 Cb -0.05 0.35 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 1cye h LEU 69 CO -0.05 -0.22 0.18 0.11 -0.62 0.00 0.00 178.44 177.84 1cye h LYS 70 N -0.12 0.36 -0.70 1.25 1.57 -1.00 0.62 116.57 118.56 1cye h LYS 70 Ca 0.19 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.04 1cye h LYS 70 Cb 0.42 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 1cye h LYS 70 CO -0.47 0.24 0.46 1.79 -0.57 0.00 0.00 179.45 180.90 1cye h THR 71 N 0.37 0.94 0.08 -0.16 1.35 -0.57 0.98 112.91 115.91 1cye h THR 71 Ca 0.11 -0.21 -0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1cye h THR 71 Cb -0.03 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 66.68 1cye h THR 71 CO -0.04 0.11 -0.04 0.40 -0.25 0.00 0.00 175.52 175.70 1cye h ILE 72 N 0.61 0.92 -0.95 6.82 2.04 -0.57 -3.20 117.51 123.17 1cye h ILE 72 Ca 0.32 -1.43 0.15 0.00 1.00 0.00 0.00 64.86 64.90 1cye h ILE 72 Cb 0.44 1.65 -0.09 0.00 -0.74 0.00 0.00 36.82 38.08 1cye h ILE 72 CO -0.11 0.28 0.57 0.03 0.00 0.00 0.00 178.15 178.92 1cye h ARG 73 N -0.93 0.80 -0.04 2.37 -0.00 -0.48 -1.09 114.38 115.02 1cye h ARG 73 Ca -0.01 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.98 59.28 1cye h ARG 73 Cb 0.54 -0.18 -0.01 0.00 0.00 0.00 0.00 29.97 30.32 1cye h ARG 73 CO 0.02 0.53 -0.63 0.00 0.00 0.00 0.00 179.97 179.89 1cye h ALA 74 N 1.57 0.87 -1.68 0.04 0.00 -0.95 -3.41 119.26 115.70 1cye h ALA 74 Ca 0.51 -0.56 -0.64 0.00 0.00 0.00 0.00 54.91 54.21 1cye h ALA 74 Cb 0.65 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.20 1cye h ALA 74 CO -0.32 0.76 0.80 0.34 0.00 0.00 0.00 179.25 180.82 1cye s ASP 75 N -6.88 6.39 0.00 0.00 2.15 -0.43 -4.96 116.67 112.93 1cye s ASP 75 Ca -0.03 -1.43 0.00 0.00 0.43 0.00 0.00 52.55 51.52 1cye s ASP 75 Cb 0.12 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 1cye s ASP 75 CO 0.79 -1.33 0.00 0.61 -0.17 0.00 0.00 175.17 175.07 1cye n GLY 76 N 5.59 0.00 0.32 2.66 0.00 -1.26 0.18 105.19 112.68 1cye n GLY 76 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 1.25 -0.01 4.61 0.00 -1.93 -2.56 119.26 120.62 1cye h ALA 77 Ca 0.00 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1cye h ALA 77 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1cye h ALA 77 CO 0.00 0.12 -0.74 0.52 0.00 0.00 0.00 179.25 179.15 1cye h MET 78 N 0.83 0.06 -0.57 0.00 2.86 -0.49 -3.05 114.93 114.57 1cye h MET 78 Ca 0.42 -0.06 0.16 0.00 -2.06 0.00 0.00 59.70 58.17 1cye h MET 78 Cb 0.40 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1cye h MET 78 CO -0.25 0.78 0.44 0.77 1.06 0.00 0.00 176.91 179.70 1cye h SER 79 N 0.04 0.00 0.47 1.22 0.02 -0.91 -0.82 113.55 113.57 1cye h SER 79 Ca -0.01 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.71 1cye h SER 79 Cb 1.31 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.85 1cye h SER 79 CO 0.10 0.00 -0.97 0.00 -1.14 0.00 0.00 176.83 174.83 1cye h ALA 80 N 1.66 0.37 -2.28 3.77 0.00 -1.57 -3.45 119.26 117.76 1cye h ALA 80 Ca 0.27 -0.74 -0.59 0.00 0.00 0.00 0.00 54.91 53.85 1cye h ALA 80 Cb 1.14 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 1cye h ALA 80 CO -0.00 0.88 0.49 -0.48 0.00 0.00 0.00 179.25 180.13 1cye s LEU 81 N -7.53 4.10 0.47 0.00 0.05 -0.31 -4.74 118.68 110.71 1cye s LEU 81 Ca -0.04 1.09 -0.21 0.00 0.05 0.00 0.00 54.13 55.01 1cye s LEU 81 Cb 0.09 -3.23 -0.11 0.00 -2.05 0.00 0.00 46.19 40.89 1cye s LEU 81 CO 0.86 -0.51 0.58 -0.81 -0.55 0.00 0.00 176.35 175.91 1cye n PRO 82 N 5.92 0.62 -4.01 1.48 -0.04 -1.26 -4.76 135.00 132.96 1cye n PRO 82 Ca 0.06 0.23 -0.31 0.00 -0.04 0.00 0.00 63.50 63.44 1cye n PRO 82 Cb 0.48 -1.61 -0.15 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.54 1.97 -0.39 0.52 1.01 -1.26 -0.23 120.40 120.48 1cye s VAL 83 Ca 0.65 -1.69 -0.14 0.00 0.00 0.00 0.00 61.98 60.80 1cye s VAL 83 Cb -0.55 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 33.63 1cye s VAL 83 CO 0.57 -0.21 0.27 -0.22 0.00 0.00 0.00 175.10 175.50 1cye s LEU 84 N 1.15 4.91 0.07 3.92 2.96 0.43 -1.10 118.68 131.02 1cye s LEU 84 Ca -0.03 -0.84 -0.28 0.00 -0.22 0.00 0.00 54.13 52.76 1cye s LEU 84 Cb -0.19 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 1cye s LEU 84 CO -0.07 -0.40 0.89 -0.04 -1.32 0.00 0.00 176.35 175.41 1cye s MET 85 N 1.66 4.61 -0.32 1.98 -1.94 0.14 -0.60 119.30 124.83 1cye s MET 85 Ca 0.05 1.30 -0.04 0.00 -1.71 0.00 0.00 55.69 55.29 1cye s MET 85 Cb -0.19 -3.38 0.05 0.00 2.01 0.00 0.00 34.83 33.32 1cye s MET 85 CO 0.09 0.20 0.05 0.08 -0.01 0.00 0.00 175.02 175.43 1cye s VAL 86 N 0.13 3.32 -0.15 -6.03 1.01 0.89 0.23 120.40 119.80 1cye s VAL 86 Ca 0.44 -1.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 1cye s VAL 86 Cb -0.22 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 1cye s VAL 86 CO 0.27 -0.16 0.06 0.42 0.00 0.00 0.00 175.10 175.69 1cye s THR 87 N 1.31 4.80 0.61 3.92 -4.23 -0.51 -0.12 115.64 121.41 1cye s THR 87 Ca -0.03 -0.04 0.31 0.00 -1.18 0.00 0.00 61.69 60.74 1cye s THR 87 Cb -0.20 -3.11 0.36 0.00 1.34 0.00 0.00 72.50 70.89 1cye s THR 87 CO 0.00 0.53 2.12 0.00 -0.54 0.00 0.00 174.62 176.73 1cye h ALA 88 N 5.98 1.64 -1.74 3.99 0.00 -1.88 0.20 119.26 127.45 1cye h ALA 88 Ca -0.44 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.54 1cye h ALA 88 Cb 1.19 0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.74 1cye h ALA 88 CO 0.64 -0.25 0.23 -2.00 0.00 0.00 0.00 179.25 177.87 1cye s GLU 89 N -4.52 0.53 -0.79 0.00 2.56 -1.26 -4.53 118.70 110.69 1cye s GLU 89 Ca -0.05 0.91 -0.26 0.00 0.00 0.00 0.00 54.97 55.57 1cye s GLU 89 Cb 0.14 0.11 0.03 0.00 2.00 0.00 0.00 34.13 36.42 1cye s GLU 89 CO 0.50 -0.11 1.31 0.00 -0.56 0.00 0.00 175.26 176.41 1cye s ALA 90 N 1.42 2.74 0.04 6.30 0.00 -1.26 -4.96 121.76 126.04 1cye s ALA 90 Ca -0.09 -1.52 0.08 0.00 0.00 0.00 0.00 51.96 50.43 1cye s ALA 90 Cb -0.04 -4.31 -0.03 0.00 0.00 0.00 0.00 23.12 18.74 1cye s ALA 90 CO -0.16 -3.35 -0.24 -1.59 0.00 0.00 0.00 175.76 170.41 1cye s LYS 91 N 5.61 1.63 0.21 0.00 -2.85 -1.26 -5.03 119.74 118.05 1cye s LYS 91 Ca 0.37 -1.04 -0.07 0.00 -1.00 0.00 0.00 55.97 54.23 1cye s LYS 91 Cb -0.07 -1.79 0.33 0.00 -2.06 0.00 0.00 37.83 34.25 1cye s LYS 91 CO 0.11 0.46 1.18 1.63 0.10 0.00 0.00 175.35 178.82 1cye n LYS 92 N 1.81 -0.08 0.05 1.78 5.02 -1.26 -1.24 118.16 124.25 1cye n LYS 92 Ca -0.17 1.18 -0.14 0.00 -2.02 0.00 0.00 58.31 57.16 1cye n LYS 92 Cb 0.52 -1.76 -0.08 0.00 -0.02 0.00 0.00 35.03 33.70 1cye n LYS 92 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1cye h GLU 93 N 0.00 -0.58 -0.43 1.97 3.07 -1.99 -0.06 114.58 116.56 1cye h GLU 93 Ca 0.35 0.04 -0.15 0.00 -0.50 0.00 0.00 59.36 59.10 1cye h GLU 93 Cb 0.54 0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.57 1cye h GLU 93 CO -0.77 -0.39 -0.31 -2.95 -1.40 0.00 0.00 179.01 173.19 1cye h ASN 94 N -0.60 1.01 0.33 1.42 7.08 -1.54 -2.44 115.58 120.84 1cye h ASN 94 Ca 0.04 -0.43 -0.00 0.00 -3.08 0.00 0.00 56.30 52.83 1cye h ASN 94 Cb 0.68 -0.28 -0.02 0.00 -2.08 0.00 0.00 38.32 36.62 1cye h ASN 94 CO -0.34 1.23 -0.29 0.40 -2.08 0.00 0.00 177.43 176.35 1cye h ILE 95 N 0.81 0.38 0.07 6.14 2.04 -0.91 -0.85 117.51 125.20 1cye h ILE 95 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1cye h ILE 95 Cb 0.90 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1cye h ILE 95 CO 0.08 0.00 -0.07 0.40 0.00 0.00 0.00 178.15 178.56 1cye h ILE 96 N -0.64 0.83 -0.63 -0.67 2.04 -1.02 -2.44 117.51 114.98 1cye h ILE 96 Ca -0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.93 1cye h ILE 96 Cb 0.57 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.42 1cye h ILE 96 CO -0.04 0.00 0.28 0.00 0.00 0.00 0.00 178.15 178.39 1cye h ALA 97 N 0.75 0.84 0.23 1.87 0.00 -1.29 -1.59 119.26 120.07 1cye h ALA 97 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1cye h ALA 97 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1cye h ALA 97 CO -0.02 -0.13 -0.11 0.00 0.00 0.00 0.00 179.25 178.99 1cye h ALA 98 N 1.41 -0.31 -0.32 0.00 0.00 -0.92 -2.34 119.26 116.78 1cye h ALA 98 Ca 0.31 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1cye h ALA 98 Cb 0.35 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1cye h ALA 98 CO -0.28 -0.65 0.15 0.00 0.00 0.00 0.00 179.25 178.47 1cye h ALA 99 N 0.41 0.38 -0.70 0.00 0.00 -1.03 -2.02 119.26 116.30 1cye h ALA 99 Ca -0.03 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1cye h ALA 99 Cb 0.27 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1cye h ALA 99 CO 0.05 -0.23 0.46 1.96 0.00 0.00 0.00 179.25 181.49 1cye h GLN 100 N 0.31 0.80 0.00 0.00 4.20 -1.20 -2.27 115.11 116.96 1cye h GLN 100 Ca 0.13 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1cye h GLN 100 Cb 0.06 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.66 1cye h GLN 100 CO -0.10 0.53 -0.11 0.00 -0.67 0.00 0.00 178.83 178.48 1cye n ALA 101 N -2.44 2.44 0.00 3.87 0.00 -0.89 -4.95 120.51 118.54 1cye n ALA 101 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1cye n ALA 101 Cb 0.14 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 1.36 1.15 3.68 0.00 0.00 -0.85 -4.71 105.19 105.82 1cye n GLY 102 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 1cye n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cye n ALA 103 N -0.06 1.78 0.12 4.61 0.00 -0.79 -4.85 120.51 121.32 1cye n ALA 103 Ca 0.00 0.34 0.01 0.00 0.00 0.00 0.00 53.44 53.79 1cye n ALA 103 Cb 0.00 -2.53 0.35 0.00 0.00 0.00 0.00 19.45 17.28 1cye n ALA 103 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1cye h SER 104 N 8.13 0.21 -5.99 0.00 0.02 -1.46 -3.43 113.55 111.03 1cye h SER 104 Ca -0.46 -0.05 0.41 0.00 -0.84 0.00 0.00 61.79 60.84 1cye h SER 104 Cb 1.24 -0.06 -0.11 0.00 0.14 0.00 0.00 62.40 63.61 1cye h SER 104 CO 0.94 0.43 1.01 -0.83 -1.14 0.00 0.00 176.83 177.24 1cye s GLY 105 N -4.11 -0.36 -0.08 -3.77 0.00 -1.15 -4.74 107.32 93.11 1cye s GLY 105 Ca -0.05 0.56 -0.07 0.00 0.00 0.00 0.00 44.72 45.16 1cye s GLY 105 CO 0.74 3.62 0.21 -2.52 0.00 0.00 0.00 173.10 175.15 1cye s TYR 106 N -2.01 -0.23 -0.10 1.90 -0.85 -1.26 -0.68 117.35 114.11 1cye s TYR 106 Ca 0.24 0.57 0.04 0.00 -0.52 0.00 0.00 57.07 57.39 1cye s TYR 106 Cb 0.04 0.08 -0.00 0.00 0.38 0.00 0.00 41.96 42.45 1cye s TYR 106 CO -0.05 -0.11 -0.22 0.54 -1.52 0.00 0.00 175.55 174.18 1cye s VAL 107 N 0.14 2.21 0.06 -3.49 0.11 0.13 -4.93 120.40 114.63 1cye s VAL 107 Ca -0.00 -0.97 -0.30 0.00 -2.93 0.00 0.00 61.98 57.77 1cye s VAL 107 Cb -0.02 -1.85 -0.05 0.00 -1.53 0.00 0.00 36.38 32.93 1cye s VAL 107 CO 0.00 0.56 1.14 -0.69 -3.33 0.00 0.00 175.10 172.77 1cye s VAL 108 N 0.29 4.22 -0.22 2.04 1.01 -1.26 -1.43 120.40 125.06 1cye s VAL 108 Ca -0.16 1.62 -0.18 0.00 0.00 0.00 0.00 61.98 63.25 1cye s VAL 108 Cb -0.17 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1cye s VAL 108 CO 0.08 0.14 0.52 -0.75 0.00 0.00 0.00 175.10 175.09 1cye s LYS 109 N 0.92 4.16 0.52 2.72 2.20 0.72 -2.76 119.74 128.21 1cye s LYS 109 Ca 0.56 0.39 -0.14 0.00 -0.36 0.00 0.00 55.97 56.43 1cye s LYS 109 Cb -0.27 -3.59 -0.06 0.00 -1.51 0.00 0.00 37.83 32.39 1cye s LYS 109 CO 0.29 -0.21 0.95 -1.25 -0.36 0.00 0.00 175.35 174.78 1cye s PRO 110 N 1.83 3.81 0.11 4.03 0.04 -1.26 -4.39 135.00 139.17 1cye s PRO 110 Ca 0.23 0.78 -0.02 0.00 0.04 0.00 0.00 61.00 62.04 1cye s PRO 110 Cb -0.15 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 1cye s PRO 110 CO 0.09 -0.30 0.05 -0.59 0.04 0.00 0.00 177.00 176.29 1cye s PHE 111 N -2.73 0.73 0.49 0.56 -0.71 -1.11 -5.16 117.98 110.04 1cye s PHE 111 Ca 0.56 -1.15 0.05 0.00 -1.04 0.00 0.00 56.93 55.36 1cye s PHE 111 Cb -0.10 -0.42 -0.00 0.00 -1.21 0.00 0.00 43.02 41.29 1cye s PHE 111 CO 0.38 -0.50 0.27 0.95 -1.34 0.00 0.00 175.22 174.98 1cye s THR 112 N -4.01 1.83 0.21 -4.49 -4.23 -1.26 -4.96 115.64 98.73 1cye s THR 112 Ca 0.19 -1.63 -0.09 0.00 -1.18 0.00 0.00 61.69 58.98 1cye s THR 112 Cb 0.07 -2.46 0.15 0.00 1.34 0.00 0.00 72.50 71.60 1cye s THR 112 CO -0.02 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 175.87 1cye h ALA 113 N 1.07 0.92 -0.10 3.99 0.00 -1.98 0.45 119.26 123.60 1cye h ALA 113 Ca -0.40 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1cye h ALA 113 Cb 1.29 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1cye h ALA 113 CO 0.64 0.06 0.04 0.00 0.00 0.00 0.00 179.25 179.99 1cye h ALA 114 N 1.35 0.13 -0.50 0.00 0.00 -1.96 -0.09 119.26 118.20 1cye h ALA 114 Ca 0.31 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1cye h ALA 114 Cb 0.19 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1cye h ALA 114 CO -0.18 -0.28 0.24 1.15 0.00 0.00 0.00 179.25 180.18 1cye h THR 115 N 0.01 0.94 0.30 0.00 2.02 -1.83 0.04 112.91 114.39 1cye h THR 115 Ca 0.03 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1cye h THR 115 Cb 0.17 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1cye h THR 115 CO -0.00 0.09 -0.16 0.25 0.37 0.00 0.00 175.52 176.07 1cye h LEU 116 N 0.48 -0.38 -0.84 2.58 6.46 -0.61 -2.90 115.31 120.09 1cye h LEU 116 Ca 0.22 0.02 0.05 0.00 -0.12 0.00 0.00 57.88 58.05 1cye h LEU 116 Cb 0.14 0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.12 1cye h LEU 116 CO -0.16 -0.26 0.53 -0.08 -0.62 0.00 0.00 178.44 177.84 1cye h GLU 117 N -0.43 0.95 -0.48 1.25 4.81 -0.26 -2.06 114.58 118.36 1cye h GLU 117 Ca -0.04 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.23 1cye h GLU 117 Cb 0.34 -0.21 -0.08 0.00 0.63 0.00 0.00 28.75 29.43 1cye h GLU 117 CO 0.05 0.63 0.02 0.93 -0.73 0.00 0.00 179.01 179.91 1cye h GLU 118 N 0.98 0.13 -0.09 1.92 3.07 -0.82 -1.81 114.58 117.96 1cye h GLU 118 Ca 0.36 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.21 1cye h GLU 118 Cb 0.13 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1cye h GLU 118 CO -0.16 0.09 0.03 0.87 -1.40 0.00 0.00 179.01 178.44 1cye h LYS 119 N 0.13 0.13 -0.64 2.33 1.79 -1.27 -3.05 116.57 116.00 1cye h LYS 119 Ca 0.24 -0.03 0.13 0.00 -2.18 0.00 0.00 60.65 58.82 1cye h LYS 119 Cb 0.36 -0.02 -0.10 0.00 -1.58 0.00 0.00 32.23 30.89 1cye h LYS 119 CO -0.39 0.27 0.07 -0.07 -1.08 0.00 0.00 179.45 178.25 1cye h LEU 120 N -0.04 -0.15 -0.06 2.94 3.38 -0.94 -1.79 115.31 118.64 1cye h LEU 120 Ca 0.03 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1cye h LEU 120 Cb 0.20 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1cye h LEU 120 CO -0.00 -0.07 0.02 0.78 0.09 0.00 0.00 178.44 179.26 1cye h ASN 121 N 0.18 0.09 -0.41 -0.43 2.35 -1.24 -1.81 115.58 114.31 1cye h ASN 121 Ca 0.34 -0.19 0.07 0.00 -0.55 0.00 0.00 56.30 55.97 1cye h ASN 121 Cb 0.55 -0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.83 1cye h ASN 121 CO -0.49 0.26 0.04 0.50 -1.65 0.00 0.00 177.43 176.08 1cye h LYS 122 N -0.08 0.15 0.11 0.81 3.64 -1.36 -2.48 116.57 117.35 1cye h LYS 122 Ca 0.02 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1cye h LYS 122 Cb 0.20 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 1cye h LYS 122 CO -0.00 0.10 -0.28 0.82 -2.27 0.00 0.00 179.45 177.82 1cye h ILE 123 N 0.15 0.40 -0.98 2.00 2.04 -1.09 -2.55 117.51 117.47 1cye h ILE 123 Ca 0.20 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.21 1cye h ILE 123 Cb 0.27 0.40 -0.09 0.00 -0.74 0.00 0.00 36.82 36.66 1cye h ILE 123 CO -0.31 0.00 0.62 -0.26 0.00 0.00 0.00 178.15 178.20 1cye h PHE 124 N -0.49 1.05 0.00 1.37 0.04 -0.90 0.32 116.94 118.33 1cye h PHE 124 Ca 0.03 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.76 1cye h PHE 124 Cb 0.52 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1cye h PHE 124 CO -0.25 0.36 -0.36 0.93 -0.60 0.00 0.00 178.31 178.39 1cye h GLU 125 N 0.87 0.00 0.03 1.51 5.08 -1.07 -3.05 114.58 117.95 1cye h GLU 125 Ca 0.51 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.50 1cye h GLU 125 Cb 0.65 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 1cye h GLU 125 CO -0.28 0.36 -2.13 1.63 -1.00 0.00 0.00 179.01 177.59 1cye n LYS 126 N -4.07 0.64 -3.63 2.33 5.02 -0.34 -4.84 118.16 113.27 1cye n LYS 126 Ca -0.02 0.30 -0.29 0.00 -2.02 0.00 0.00 58.31 56.28 1cye n LYS 126 Cb 0.40 -1.60 -0.12 0.00 -0.02 0.00 0.00 35.03 33.69 1cye n LYS 126 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1cye s LEU 127 N -7.22 2.25 -0.85 -0.35 2.96 0.97 -5.07 118.68 111.37 1cye s LEU 127 Ca -0.32 -2.62 -0.21 0.00 -0.22 0.00 0.00 54.13 50.76 1cye s LEU 127 Cb 0.10 -0.85 -0.20 0.00 0.50 0.00 0.00 46.19 45.74 1cye s LEU 127 CO 0.60 -0.26 2.33 0.61 -1.32 0.00 0.00 176.35 178.32 1cye n GLY 128 N 3.52 -0.25 0.00 7.98 0.00 -1.15 -3.80 105.19 111.49 1cye n GLY 128 Ca 0.12 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1cye n GLY 128 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47