#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cey n ASP 3 N 0.00 -3.00 -1.20 0.00 -0.08 -1.26 -4.61 116.55 106.40 1cey n ASP 3 Ca 0.00 1.21 0.00 0.00 -1.51 0.00 0.00 54.79 54.49 1cey n ASP 3 Cb 0.00 -3.97 0.00 0.00 2.34 0.00 0.00 41.12 39.49 1cey n ASP 3 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1cey n LYS 4 N 1.98 0.66 -1.65 -0.67 5.02 -1.26 -2.67 118.16 119.58 1cey n LYS 4 Ca -0.27 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 55.98 1cey n LYS 4 Cb 0.43 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 1cey n LYS 4 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1cey n GLU 5 N 0.97 0.48 -2.24 1.97 1.02 -1.26 -3.34 120.64 118.24 1cey n GLU 5 Ca 0.00 -1.41 -0.42 0.00 -0.02 0.00 0.00 57.16 55.31 1cey n GLU 5 Cb 0.33 0.24 -0.03 0.00 -0.02 0.00 0.00 31.44 31.96 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1cey s LEU 6 N -1.34 4.40 -0.24 -4.62 2.96 -1.09 -4.81 118.68 113.94 1cey s LEU 6 Ca 0.10 2.33 -0.29 0.00 -0.22 0.00 0.00 54.13 56.05 1cey s LEU 6 Cb 0.20 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 43.29 1cey s LEU 6 CO -0.06 -0.54 1.26 -0.54 -1.32 0.00 0.00 176.35 175.14 1cey s LYS 7 N 0.30 4.08 0.12 1.98 1.02 -1.26 -4.61 119.74 121.38 1cey s LYS 7 Ca 0.59 1.42 0.04 0.00 0.02 0.00 0.00 55.97 58.04 1cey s LYS 7 Cb -0.36 -3.81 -0.04 0.00 -0.52 0.00 0.00 37.83 33.11 1cey s LYS 7 CO 0.35 -0.90 0.09 -0.06 -0.92 0.00 0.00 175.35 173.92 1cey s PHE 8 N 3.89 3.14 -0.22 3.18 0.40 -0.89 -1.64 117.98 125.83 1cey s PHE 8 Ca 0.54 0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.89 1cey s PHE 8 Cb -0.18 -1.55 0.06 0.00 0.51 0.00 0.00 43.02 41.85 1cey s PHE 8 CO 0.18 0.52 -0.05 -1.17 0.70 0.00 0.00 175.22 175.40 1cey s LEU 9 N -2.73 2.30 -0.33 -0.37 2.96 -0.71 -1.75 118.68 118.05 1cey s LEU 9 Ca 0.30 -1.05 -0.14 0.00 -0.22 0.00 0.00 54.13 53.01 1cey s LEU 9 Cb -0.11 -1.10 -0.02 0.00 0.50 0.00 0.00 46.19 45.46 1cey s LEU 9 CO 0.22 -0.23 0.33 -0.69 -1.32 0.00 0.00 176.35 174.66 1cey s VAL 10 N 1.47 5.20 -0.26 1.68 1.01 -1.08 -0.03 120.40 128.39 1cey s VAL 10 Ca -0.04 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1cey s VAL 10 Cb -0.18 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.49 1cey s VAL 10 CO -0.07 -0.02 -0.09 -0.69 0.00 0.00 0.00 175.10 174.23 1cey s VAL 11 N 1.95 2.34 -0.30 2.92 1.01 -0.82 -1.97 120.40 125.52 1cey s VAL 11 Ca 0.11 -1.53 -0.17 0.00 0.00 0.00 0.00 61.98 60.38 1cey s VAL 11 Cb -0.17 -2.34 0.19 0.00 0.00 0.00 0.00 36.38 34.07 1cey s VAL 11 CO 0.11 -0.00 1.23 -0.62 0.00 0.00 0.00 175.10 175.81 1cey s ASP 12 N 1.15 -0.15 0.41 3.32 2.15 -1.25 -3.94 116.67 118.36 1cey s ASP 12 Ca -0.07 0.22 -0.24 0.00 0.43 0.00 0.00 52.55 52.89 1cey s ASP 12 Cb -0.19 1.12 -0.11 0.00 -0.30 0.00 0.00 42.92 43.44 1cey s ASP 12 CO -0.05 -0.03 0.85 0.47 -0.17 0.00 0.00 175.17 176.24 1cey n ASP 13 N 3.98 0.49 0.00 -0.34 9.92 -1.26 -4.83 116.55 124.50 1cey n ASP 13 Ca -0.12 1.00 0.00 0.00 -0.53 0.00 0.00 54.79 55.14 1cey n ASP 13 Cb 0.56 -1.26 0.00 0.00 -0.64 0.00 0.00 41.12 39.78 1cey n ASP 13 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 1cey n PHE 14 N -0.58 0.00 0.00 1.24 -1.74 -1.26 -4.95 117.46 110.17 1cey n PHE 14 Ca 0.10 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.99 1cey n PHE 14 Cb 0.38 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.38 1cey n PHE 14 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 1cey n SER 15 N 0.00 0.00 0.00 5.98 3.41 -1.26 -4.97 113.62 116.78 1cey n SER 15 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1cey n SER 15 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1cey n SER 15 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1cey n THR 16 N 0.00 0.00 0.00 6.66 5.66 -1.26 -4.99 114.28 120.35 1cey n THR 16 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1cey n THR 16 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1cey n THR 16 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 1cey n MET 17 N -2.04 0.00 -0.55 1.09 0.00 -1.26 0.80 117.12 115.16 1cey n MET 17 Ca 0.00 0.54 0.46 0.00 0.00 0.00 0.00 57.70 58.70 1cey n MET 17 Cb 0.00 -1.01 0.79 0.00 0.00 0.00 0.00 33.22 33.00 1cey n MET 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1cey h ARG 18 N 0.00 0.01 0.01 2.12 3.08 -1.93 1.52 114.38 119.18 1cey h ARG 18 Ca 0.00 -0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 1cey h ARG 18 Cb 0.00 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1cey h ARG 18 CO 0.00 0.00 -1.01 -0.09 -1.07 0.00 0.00 179.97 177.80 1cey h ARG 19 N 0.01 0.01 -0.00 0.04 1.12 -0.45 -2.46 114.38 112.65 1cey h ARG 19 Ca 0.79 -0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 59.63 1cey h ARG 19 Cb 3.14 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 33.11 1cey h ARG 19 CO -0.02 1.01 -0.00 0.82 -3.11 0.00 0.00 179.97 178.67 1cey h ILE 20 N 0.00 1.39 -0.33 1.20 2.04 0.84 -3.18 117.51 119.48 1cey h ILE 20 Ca -0.02 -1.14 -0.09 0.00 1.00 0.00 0.00 64.86 64.61 1cey h ILE 20 Cb 1.78 2.16 -0.02 0.00 -0.74 0.00 0.00 36.82 40.00 1cey h ILE 20 CO 0.13 0.30 -0.19 -0.37 0.00 0.00 0.00 178.15 178.02 1cey h VAL 21 N -0.48 1.26 -0.51 1.67 -1.51 -1.45 -2.64 116.25 112.60 1cey h VAL 21 Ca 0.00 -1.22 0.09 0.00 -1.23 0.00 0.00 66.70 64.34 1cey h VAL 21 Cb 0.49 1.22 -0.10 0.00 -2.13 0.00 0.00 31.29 30.76 1cey h VAL 21 CO 0.00 0.40 -0.32 0.03 -1.23 0.00 0.00 177.57 176.45 1cey h ARG 22 N 0.54 -0.19 0.65 5.19 3.08 -1.42 -0.06 114.38 122.17 1cey h ARG 22 Ca 0.09 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1cey h ARG 22 Cb 0.63 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.73 1cey h ARG 22 CO 0.04 -0.13 -0.31 -0.97 -1.07 0.00 0.00 179.97 177.54 1cey h ASN 23 N -0.20 -0.74 -0.20 7.04 -1.24 -1.53 -1.26 115.58 117.46 1cey h ASN 23 Ca 0.21 0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.24 1cey h ASN 23 Cb 0.54 0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.76 1cey h ASN 23 CO -0.62 -0.49 -0.12 -0.11 -1.29 0.00 0.00 177.43 174.81 1cey n LEU 24 N -5.44 -0.21 -0.28 0.34 7.94 -0.55 0.12 117.00 118.92 1cey n LEU 24 Ca -0.13 1.00 0.02 0.00 -1.11 0.00 0.00 56.01 55.79 1cey n LEU 24 Cb 0.36 -0.37 0.16 0.00 0.53 0.00 0.00 43.42 44.10 1cey n LEU 24 CO 0.37 -0.61 1.13 -0.07 -1.11 0.00 0.00 177.39 177.09 1cey h LEU 25 N 0.00 0.63 -2.14 -1.96 3.38 -1.07 0.28 115.31 114.44 1cey h LEU 25 Ca 0.03 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1cey h LEU 25 Cb 0.08 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1cey h LEU 25 CO -0.19 0.37 0.06 0.50 0.09 0.00 0.00 178.44 179.26 1cey h LYS 26 N 0.76 0.00 -0.57 1.13 3.64 0.16 -1.82 116.57 119.87 1cey h LYS 26 Ca 0.38 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.86 1cey h LYS 26 Cb 0.34 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.09 1cey h LYS 26 CO -0.24 0.00 0.16 1.49 -2.27 0.00 0.00 179.45 178.58 1cey h GLU 27 N 0.00 0.30 0.40 1.90 4.57 0.47 -2.96 114.58 119.26 1cey h GLU 27 Ca 0.03 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1cey h GLU 27 Cb 0.15 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1cey h GLU 27 CO -0.00 0.20 -0.19 -0.07 -1.18 0.00 0.00 179.01 177.77 1cey h LEU 28 N 0.31 -0.45 0.00 1.64 3.38 -1.38 -3.47 115.31 115.33 1cey h LEU 28 Ca 0.29 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1cey h LEU 28 Cb 0.39 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1cey h LEU 28 CO -0.34 -0.16 0.00 0.61 0.09 0.00 0.00 178.44 178.64 1cey n GLY 29 N 0.02 0.00 3.66 0.83 0.00 -1.12 -5.13 105.19 103.46 1cey n GLY 29 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1cey n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cey s PHE 30 N 0.00 3.38 -0.55 1.61 0.40 -1.18 -4.30 117.98 117.34 1cey s PHE 30 Ca 0.00 0.88 0.07 0.00 -0.60 0.00 0.00 56.93 57.28 1cey s PHE 30 Cb 0.00 -2.76 0.26 0.00 0.51 0.00 0.00 43.02 41.03 1cey s PHE 30 CO 0.00 -0.15 0.68 0.27 0.70 0.00 0.00 175.22 176.72 1cey n ASN 31 N 4.95 2.53 -3.03 1.36 6.94 -1.21 -3.92 115.26 122.89 1cey n ASN 31 Ca -0.02 -3.20 0.04 0.00 -0.02 0.00 0.00 54.58 51.38 1cey n ASN 31 Cb 0.50 -0.65 0.00 0.00 -2.36 0.00 0.00 39.78 37.27 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1cey s ASN 32 N -2.10 -0.42 -0.02 0.53 3.84 -1.26 -4.97 114.94 110.54 1cey s ASN 32 Ca 0.39 -0.04 -0.16 0.00 0.21 0.00 0.00 52.86 53.26 1cey s ASN 32 Cb 0.17 1.01 0.03 0.00 -0.55 0.00 0.00 41.25 41.91 1cey s ASN 32 CO -0.05 -0.07 0.33 0.54 -2.79 0.00 0.00 177.10 175.06 1cey s VAL 33 N 2.61 0.05 0.12 -5.21 0.11 -1.26 -2.10 120.40 114.71 1cey s VAL 33 Ca 0.23 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 1cey s VAL 33 Cb -0.00 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 1cey s VAL 33 CO -0.20 -0.24 0.01 -0.62 -3.33 0.00 0.00 175.10 170.72 1cey n GLU 34 N 1.29 1.68 -3.98 1.54 1.02 -0.72 -4.96 120.64 116.51 1cey n GLU 34 Ca -0.21 -0.83 -0.10 0.00 -0.02 0.00 0.00 57.16 56.00 1cey n GLU 34 Cb 0.56 0.21 -0.07 0.00 -0.02 0.00 0.00 31.44 32.12 1cey n GLU 34 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1cey s GLU 35 N -2.43 1.17 0.02 3.49 8.01 -1.26 -2.64 118.70 125.06 1cey s GLU 35 Ca 0.01 -1.21 -0.00 0.00 0.01 0.00 0.00 54.97 53.78 1cey s GLU 35 Cb -0.00 0.37 0.00 0.00 -4.31 0.00 0.00 34.13 30.19 1cey s GLU 35 CO 0.00 -0.43 0.03 0.00 0.01 0.00 0.00 175.26 174.87 1cey n ALA 36 N -0.22 -0.02 -0.51 5.21 0.00 -0.83 -4.92 120.51 119.21 1cey n ALA 36 Ca -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1cey n ALA 36 Cb 0.63 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.14 1cey n ALA 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cey n GLU 37 N -0.03 -0.43 0.00 0.00 1.02 -1.26 -3.95 120.64 115.98 1cey n GLU 37 Ca -0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 1cey n GLU 37 Cb 0.03 -0.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 1cey n GLU 37 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1cey n ASP 38 N -0.01 0.00 -0.07 1.62 5.68 -1.26 -4.36 116.55 118.15 1cey n ASP 38 Ca 0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.20 1cey n ASP 38 Cb 0.13 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.09 1cey n ASP 38 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1cey h GLY 39 N 0.00 0.38 0.43 6.12 0.00 -1.95 0.16 103.07 108.21 1cey h GLY 39 Ca 0.00 -0.15 0.18 0.00 0.00 0.00 0.00 47.33 47.36 1cey h GLY 39 CO 0.00 0.14 0.57 -2.08 0.00 0.00 0.00 176.54 175.17 1cey h VAL 40 N 0.35 0.73 0.09 4.60 2.07 -1.99 0.37 116.25 122.47 1cey h VAL 40 Ca 0.10 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1cey h VAL 40 Cb -0.02 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1cey h VAL 40 CO -0.02 0.08 -0.04 -0.78 0.02 0.00 0.00 177.57 176.83 1cey h ASP 41 N 0.45 -0.10 0.41 0.57 1.82 -1.55 -2.71 116.42 115.31 1cey h ASP 41 Ca 0.44 -0.50 -0.01 0.00 -0.39 0.00 0.00 57.03 56.58 1cey h ASP 41 Cb 1.03 0.03 -0.02 0.00 0.68 0.00 0.00 39.33 41.04 1cey h ASP 41 CO -0.17 0.53 -0.39 0.00 -1.61 0.00 0.00 179.24 177.60 1cey h ALA 42 N -0.11 -0.86 -0.80 -0.78 0.00 0.31 0.48 119.26 117.51 1cey h ALA 42 Ca -0.01 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 54.95 1cey h ALA 42 Cb 0.59 0.56 -0.13 0.00 0.00 0.00 0.00 17.79 18.81 1cey h ALA 42 CO 0.02 -1.02 0.09 1.25 0.00 0.00 0.00 179.25 179.59 1cey h LEU 43 N -0.82 -0.21 -0.66 0.00 6.46 -0.42 1.98 115.31 121.64 1cey h LEU 43 Ca -0.04 0.19 -0.14 0.00 -0.12 0.00 0.00 57.88 57.77 1cey h LEU 43 Cb 0.72 0.31 -0.01 0.00 -0.73 0.00 0.00 40.66 40.95 1cey h LEU 43 CO -0.05 -0.16 -0.63 0.78 -0.62 0.00 0.00 178.44 177.75 1cey h ASN 44 N 0.15 0.16 0.35 1.25 2.35 -1.05 -2.99 115.58 115.79 1cey h ASN 44 Ca 0.46 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 1cey h ASN 44 Cb 0.85 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.17 1cey h ASN 44 CO -0.65 0.75 -0.36 0.29 -1.65 0.00 0.00 177.43 175.81 1cey n LYS 45 N -3.82 0.49 0.00 0.81 5.02 0.16 -3.72 118.16 117.10 1cey n LYS 45 Ca -0.02 -0.29 0.08 0.00 -2.02 0.00 0.00 58.31 56.06 1cey n LYS 45 Cb 0.63 -1.49 0.39 0.00 -0.02 0.00 0.00 35.03 34.54 1cey n LYS 45 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1cey n LEU 46 N -1.01 0.00 -0.43 -0.35 -0.00 0.63 -1.59 117.00 114.25 1cey n LEU 46 Ca 0.09 0.32 0.13 0.00 -0.00 0.00 0.00 56.01 56.56 1cey n LEU 46 Cb 0.34 -0.32 0.40 0.00 -0.00 0.00 0.00 43.42 43.84 1cey n LEU 46 CO 0.30 -0.15 0.74 0.00 -0.00 0.00 0.00 177.39 178.27 1cey n GLN 47 N -1.32 1.38 -0.02 1.96 1.13 -1.24 -4.43 117.38 114.83 1cey n GLN 47 Ca 0.07 -0.87 -0.03 0.00 -1.94 0.00 0.00 57.00 54.23 1cey n GLN 47 Cb 0.14 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 28.98 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1cey h ALA 48 N 4.10 -0.44 0.00 -1.58 0.00 -1.56 -3.45 119.26 116.33 1cey h ALA 48 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cey h ALA 48 Cb 0.56 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1cey h ALA 48 CO 0.00 -0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.16 1cey n GLY 49 N -1.09 -0.85 0.00 0.00 0.00 -1.26 -5.09 105.19 96.90 1cey n GLY 49 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1cey n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cey n GLY 50 N 0.38 -1.92 3.54 -0.02 0.00 -1.26 -5.08 105.19 100.83 1cey n GLY 50 Ca 0.00 0.89 -0.28 0.00 0.00 0.00 0.00 46.02 46.63 1cey n GLY 50 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cey n TYR 51 N 0.00 1.07 0.00 1.61 4.01 -1.26 -4.68 117.16 117.91 1cey n TYR 51 Ca 0.00 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 1cey n TYR 51 Cb 0.00 -2.38 0.00 0.00 -0.31 0.00 0.00 39.34 36.65 1cey n TYR 51 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cey n GLY 52 N 6.28 -0.26 3.38 2.72 0.00 -1.13 -4.44 105.19 111.74 1cey n GLY 52 Ca 0.48 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.37 1cey n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1cey s PHE 53 N -2.46 -0.54 -0.10 1.61 5.36 -0.65 -3.97 117.98 117.23 1cey s PHE 53 Ca 0.00 1.31 -0.01 0.00 -0.96 0.00 0.00 56.93 57.27 1cey s PHE 53 Cb 0.00 0.19 0.03 0.00 -0.34 0.00 0.00 43.02 42.90 1cey s PHE 53 CO 0.00 -0.26 -0.01 0.08 -1.46 0.00 0.00 175.22 173.56 1cey s VAL 54 N 0.35 0.55 -0.35 3.12 1.01 -1.07 -1.74 120.40 122.26 1cey s VAL 54 Ca -0.01 -0.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 1cey s VAL 54 Cb -0.04 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 1cey s VAL 54 CO -0.00 0.23 0.27 -0.63 0.00 0.00 0.00 175.10 174.96 1cey s ILE 55 N 1.90 5.26 0.23 2.22 1.01 0.96 -1.90 121.20 130.88 1cey s ILE 55 Ca 0.04 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.51 1cey s ILE 55 Cb -0.13 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 1cey s ILE 55 CO -0.06 -0.05 0.02 -0.94 0.00 0.00 0.00 174.94 173.90 1cey s SER 56 N 1.72 1.63 0.00 3.58 1.04 -1.26 -1.95 113.70 118.46 1cey s SER 56 Ca 0.07 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.26 1cey s SER 56 Cb -0.17 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1cey s SER 56 CO 0.11 -0.56 0.00 -0.90 0.98 0.00 0.00 173.24 172.87 1cey n ASP 57 N -0.40 0.00 0.00 7.02 5.75 -1.25 0.47 116.55 128.13 1cey n ASP 57 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.74 1cey n ASP 57 Cb 0.64 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 1cey n ASP 57 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 1cey n TRP 58 N 0.00 0.00 -3.70 2.11 -0.00 -1.26 -4.04 117.44 110.55 1cey n TRP 58 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.50 57.13 1cey n TRP 58 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.21 1cey n TRP 58 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1cey s ASN 59 N 0.00 5.38 0.62 5.87 -0.87 -1.26 -2.65 114.94 122.03 1cey s ASN 59 Ca 0.00 -2.33 -0.11 0.00 -1.57 0.00 0.00 52.86 48.84 1cey s ASN 59 Cb 0.00 -1.88 -0.04 0.00 -0.02 0.00 0.00 41.25 39.31 1cey s ASN 59 CO 0.00 -0.51 1.03 -0.04 -2.57 0.00 0.00 177.10 175.01 1cey s MET 60 N 0.71 3.60 0.25 -0.60 -1.94 -1.19 -4.93 119.30 115.19 1cey s MET 60 Ca 0.11 0.77 -0.04 0.00 -1.71 0.00 0.00 55.69 54.82 1cey s MET 60 Cb -0.22 -2.08 0.40 0.00 2.01 0.00 0.00 34.83 34.94 1cey s MET 60 CO -0.03 -0.57 1.83 -1.35 -0.01 0.00 0.00 175.02 174.88 1cey h PRO 61 N -0.26 0.86 0.00 2.03 0.10 -1.97 -3.41 132.00 129.35 1cey h PRO 61 Ca -0.44 -0.05 0.00 0.00 0.10 0.00 0.00 66.00 65.61 1cey h PRO 61 Cb 1.19 -0.19 0.00 0.00 0.10 0.00 0.00 31.00 32.10 1cey h PRO 61 CO 0.62 0.57 0.00 0.09 0.10 0.00 0.00 178.00 179.37 1cey n ASN 62 N -4.68 0.00 -3.36 -2.05 5.03 -1.26 -5.06 115.26 103.88 1cey n ASN 62 Ca 0.14 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.59 1cey n ASN 62 Cb 0.26 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.02 1cey n ASN 62 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 1cey n MET 63 N 0.00 0.67 -2.73 3.52 2.81 -1.26 -5.04 117.12 115.09 1cey n MET 63 Ca 0.00 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.67 1cey n MET 63 Cb 0.00 0.00 0.08 0.00 -0.71 0.00 0.00 33.22 32.59 1cey n MET 63 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1cey s ASP 64 N -1.52 4.74 -0.08 7.83 -4.77 -1.26 -3.20 116.67 118.41 1cey s ASP 64 Ca 0.00 -0.43 0.09 0.00 -3.30 0.00 0.00 52.55 48.91 1cey s ASP 64 Cb 0.00 -0.10 0.41 0.00 -1.09 0.00 0.00 42.92 42.14 1cey s ASP 64 CO 0.00 -1.57 1.22 0.61 0.70 0.00 0.00 175.17 176.13 1cey n GLY 65 N -2.57 1.72 0.14 2.12 0.00 -1.08 -3.92 105.19 101.60 1cey n GLY 65 Ca 0.14 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 1cey n GLY 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cey h LEU 66 N 2.22 0.55 -1.60 0.99 5.85 -1.94 -2.17 115.31 119.22 1cey h LEU 66 Ca 0.00 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 57.79 1cey h LEU 66 Cb 0.99 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.84 1cey h LEU 66 CO 0.16 1.77 0.00 -0.33 -0.34 0.00 0.00 178.44 179.70 1cey h GLU 67 N 0.03 0.00 0.03 1.25 5.08 -1.98 0.43 114.58 119.42 1cey h GLU 67 Ca -0.35 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1cey h GLU 67 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1cey h GLU 67 CO 0.14 0.00 -0.01 1.25 -1.00 0.00 0.00 179.01 179.39 1cey h LEU 68 N 0.00 -0.03 -1.01 1.33 5.85 -1.73 -2.22 115.31 117.51 1cey h LEU 68 Ca 0.00 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.80 1cey h LEU 68 Cb 0.30 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 1cey h LEU 68 CO 0.00 0.14 0.65 0.25 -0.34 0.00 0.00 178.44 179.14 1cey h LEU 69 N -0.36 1.02 -0.23 2.25 5.85 -1.28 -1.52 115.31 121.03 1cey h LEU 69 Ca -0.00 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1cey h LEU 69 Cb 0.03 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1cey h LEU 69 CO 0.01 0.63 0.14 0.50 -0.34 0.00 0.00 178.44 179.37 1cey h LYS 70 N 1.14 0.32 -0.59 1.25 3.11 -0.26 -2.37 116.57 119.17 1cey h LYS 70 Ca 0.45 -0.03 0.11 0.00 -2.81 0.00 0.00 60.65 58.37 1cey h LYS 70 Cb 0.23 -0.07 -0.09 0.00 -1.00 0.00 0.00 32.23 31.31 1cey h LYS 70 CO -0.19 0.26 0.08 1.15 -2.81 0.00 0.00 179.45 177.94 1cey h THR 71 N 0.29 0.60 -0.68 1.00 2.02 -0.63 0.14 112.91 115.65 1cey h THR 71 Ca 0.08 -0.07 0.14 0.00 0.77 0.00 0.00 66.41 67.33 1cey h THR 71 Cb 0.02 0.38 -0.10 0.00 -1.74 0.00 0.00 68.15 66.72 1cey h THR 71 CO -0.02 0.04 0.17 0.40 0.37 0.00 0.00 175.52 176.48 1cey h ILE 72 N 0.20 0.58 0.00 3.11 2.04 -0.97 0.63 117.51 123.11 1cey h ILE 72 Ca 0.31 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 66.05 1cey h ILE 72 Cb 0.47 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1cey h ILE 72 CO -0.43 0.05 -0.09 -0.09 0.00 0.00 0.00 178.15 177.58 1cey h ARG 73 N 0.28 0.00 -1.35 2.37 2.43 -0.49 -2.34 114.38 115.29 1cey h ARG 73 Ca 0.37 0.00 0.39 0.00 -0.81 0.00 0.00 59.98 59.93 1cey h ARG 73 Cb 0.59 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.08 1cey h ARG 73 CO -0.45 0.09 1.03 0.00 -1.51 0.00 0.00 179.97 179.13 1cey h ALA 74 N 1.91 3.26 -1.49 2.80 0.00 0.13 -3.35 119.26 122.51 1cey h ALA 74 Ca -0.00 -0.05 -0.48 0.00 0.00 0.00 0.00 54.91 54.38 1cey h ALA 74 Cb 0.18 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1cey h ALA 74 CO 0.01 -1.73 1.39 0.34 0.00 0.00 0.00 179.25 179.27 1cey s ASP 75 N -4.61 5.08 -0.99 0.00 -1.08 -0.88 -4.85 116.67 109.33 1cey s ASP 75 Ca -0.05 0.46 -0.23 0.00 -0.52 0.00 0.00 52.55 52.21 1cey s ASP 75 Cb 0.23 -2.52 -0.14 0.00 -1.46 0.00 0.00 42.92 39.02 1cey s ASP 75 CO 0.78 -2.51 1.93 0.61 0.52 0.00 0.00 175.17 176.50 1cey n GLY 76 N 5.80 1.32 1.31 2.66 0.00 -1.26 -3.54 105.19 111.49 1cey n GLY 76 Ca 0.24 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1cey n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey n ALA 77 N 12.53 0.00 -0.10 4.61 0.00 -1.26 -5.04 120.51 131.25 1cey n ALA 77 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1cey n ALA 77 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1cey n ALA 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1cey n MET 78 N -3.24 0.00 -1.99 0.00 2.81 -1.23 -4.89 117.12 108.58 1cey n MET 78 Ca 0.00 0.16 -0.06 0.00 -1.81 0.00 0.00 57.70 55.99 1cey n MET 78 Cb 0.00 -0.63 -0.01 0.00 -0.71 0.00 0.00 33.22 31.87 1cey n MET 78 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1cey n SER 79 N -2.20 -2.04 0.00 7.83 2.88 -1.26 -4.60 113.62 114.23 1cey n SER 79 Ca 0.00 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1cey n SER 79 Cb 0.00 -1.94 0.00 0.00 -0.75 0.00 0.00 64.21 61.52 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cey n ALA 80 N -1.62 1.12 -1.50 -1.46 0.00 -1.26 -4.92 120.51 110.87 1cey n ALA 80 Ca -0.06 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 52.83 1cey n ALA 80 Cb 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 1cey n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1cey n LEU 81 N -0.63 2.01 -4.67 0.00 7.94 -1.26 -4.79 117.00 115.59 1cey n LEU 81 Ca 0.00 0.68 -0.43 0.00 -1.11 0.00 0.00 56.01 55.15 1cey n LEU 81 Cb 0.00 -1.16 -0.03 0.00 0.53 0.00 0.00 43.42 42.75 1cey n LEU 81 CO 0.00 -0.63 1.56 -2.65 -1.11 0.00 0.00 177.39 174.56 1cey n PRO 82 N 7.17 2.80 -3.77 1.96 -0.02 -1.25 -4.92 135.00 136.96 1cey n PRO 82 Ca 0.39 1.03 -0.37 0.00 -2.02 0.00 0.00 63.50 62.52 1cey n PRO 82 Cb 0.15 -2.96 -0.13 0.00 -0.02 0.00 0.00 33.50 30.55 1cey n PRO 82 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1cey s VAL 83 N 3.92 3.93 -1.06 -1.45 1.01 -1.19 -2.61 120.40 122.95 1cey s VAL 83 Ca 0.87 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 1cey s VAL 83 Cb -0.47 -3.00 0.29 0.00 0.00 0.00 0.00 36.38 33.20 1cey s VAL 83 CO 0.41 0.12 1.29 -0.11 0.00 0.00 0.00 175.10 176.82 1cey n LEU 84 N 4.86 5.88 -4.12 3.92 7.94 -0.80 -0.93 117.00 133.76 1cey n LEU 84 Ca -0.15 -5.17 -0.28 0.00 -1.11 0.00 0.00 56.01 49.30 1cey n LEU 84 Cb 0.48 -1.30 0.13 0.00 0.53 0.00 0.00 43.42 43.26 1cey n LEU 84 CO 0.31 1.59 -0.74 0.23 -1.11 0.00 0.00 177.39 177.67 1cey n MET 85 N 1.79 -1.37 -3.66 1.96 2.81 0.03 -4.10 117.12 114.58 1cey n MET 85 Ca 0.25 -0.39 -0.13 0.00 -1.81 0.00 0.00 57.70 55.62 1cey n MET 85 Cb 0.36 -1.44 -0.13 0.00 -0.71 0.00 0.00 33.22 31.29 1cey n MET 85 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1cey s VAL 86 N -2.12 -0.42 0.31 2.03 1.01 0.18 -2.56 120.40 118.82 1cey s VAL 86 Ca 0.43 0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.66 1cey s VAL 86 Cb -0.04 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.90 1cey s VAL 86 CO 0.54 0.11 0.46 1.07 0.00 0.00 0.00 175.10 177.29 1cey n THR 87 N 5.33 0.00 0.00 3.92 5.66 -1.04 -4.33 114.28 123.82 1cey n THR 87 Ca -0.07 -1.48 0.00 0.00 -3.05 0.00 0.00 64.05 59.45 1cey n THR 87 Cb 0.50 0.95 0.00 0.00 -1.55 0.00 0.00 70.33 70.23 1cey n THR 87 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1cey n ALA 88 N -0.96 2.16 -2.06 1.79 0.00 -1.26 0.13 120.51 120.31 1cey n ALA 88 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.94 1cey n ALA 88 Cb 0.52 0.39 -0.00 0.00 0.00 0.00 0.00 19.45 20.36 1cey n ALA 88 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1cey n GLU 89 N -2.38 4.11 -2.17 0.00 2.13 -1.26 -4.90 120.64 116.16 1cey n GLU 89 Ca 0.00 -3.58 -0.43 0.00 0.66 0.00 0.00 57.16 53.81 1cey n GLU 89 Cb 0.39 -2.43 -0.02 0.00 0.27 0.00 0.00 31.44 29.65 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1cey s ALA 90 N -2.60 3.06 0.00 4.31 0.00 -1.26 -4.98 121.76 120.29 1cey s ALA 90 Ca 0.51 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1cey s ALA 90 Cb 0.27 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1cey s ALA 90 CO -0.18 -2.33 0.00 1.63 0.00 0.00 0.00 175.76 174.88 1cey n LYS 91 N 8.05 1.62 0.00 0.00 5.02 -1.26 -5.02 118.16 126.57 1cey n LYS 91 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1cey n LYS 91 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 1cey n LYS 91 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1cey n LYS 92 N 0.00 0.00 0.21 1.97 4.01 -1.26 -4.59 118.16 118.50 1cey n LYS 92 Ca 0.00 0.00 0.04 0.00 -0.51 0.00 0.00 58.31 57.84 1cey n LYS 92 Cb 0.00 0.00 0.23 0.00 -0.51 0.00 0.00 35.03 34.75 1cey n LYS 92 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1cey h GLU 93 N 0.00 0.00 0.00 1.97 4.81 -2.00 -0.12 114.58 119.23 1cey h GLU 93 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1cey h GLU 93 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1cey h GLU 93 CO 0.00 0.00 -0.72 0.09 -0.73 0.00 0.00 179.01 177.65 1cey n ASN 94 N -2.12 1.82 -0.25 1.04 5.03 -1.26 -3.38 115.26 116.14 1cey n ASN 94 Ca -0.01 0.58 0.32 0.00 0.87 0.00 0.00 54.58 56.35 1cey n ASN 94 Cb 0.59 -0.90 0.71 0.00 -1.02 0.00 0.00 39.78 39.16 1cey n ASN 94 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1cey h ILE 95 N -1.00 0.31 0.31 2.41 2.04 -1.29 -0.59 117.51 119.70 1cey h ILE 95 Ca -0.10 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1cey h ILE 95 Cb 0.72 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1cey h ILE 95 CO -0.06 0.00 -0.15 0.40 0.00 0.00 0.00 178.15 178.34 1cey h ILE 96 N 0.00 0.00 -0.51 -0.67 2.04 -1.56 -2.42 117.51 114.40 1cey h ILE 96 Ca 0.50 -0.69 0.10 0.00 1.00 0.00 0.00 64.86 65.77 1cey h ILE 96 Cb 2.22 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 38.19 1cey h ILE 96 CO -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 178.15 177.88 1cey h ALA 97 N -1.12 0.05 -0.55 1.87 0.00 -1.17 0.21 119.26 118.55 1cey h ALA 97 Ca -0.04 0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.14 1cey h ALA 97 Cb 0.32 0.63 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 1cey h ALA 97 CO 0.07 -0.61 -0.00 0.00 0.00 0.00 0.00 179.25 178.70 1cey h ALA 98 N 1.10 0.52 -0.71 0.00 0.00 -1.31 0.52 119.26 119.38 1cey h ALA 98 Ca 0.23 0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.45 1cey h ALA 98 Cb 0.51 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 18.48 1cey h ALA 98 CO -0.59 -0.39 0.17 0.00 0.00 0.00 0.00 179.25 178.44 1cey h ALA 99 N 1.50 0.91 -0.90 0.00 0.00 -0.09 0.81 119.26 121.49 1cey h ALA 99 Ca 0.28 0.16 0.26 0.00 0.00 0.00 0.00 54.91 55.61 1cey h ALA 99 Cb 0.44 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1cey h ALA 99 CO -0.47 -0.33 0.69 0.37 0.00 0.00 0.00 179.25 179.51 1cey h GLN 100 N 0.27 0.00 0.00 0.00 5.75 -0.18 -3.35 115.11 117.60 1cey h GLN 100 Ca 0.40 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.90 1cey h GLN 100 Cb 0.66 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.21 1cey h GLN 100 CO -0.49 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 175.69 1cey n ALA 101 N -2.65 0.00 -0.58 3.38 0.00 0.28 -4.97 120.51 115.96 1cey n ALA 101 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1cey n ALA 101 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.45 1cey n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cey n GLY 102 N 5.00 -0.05 0.05 0.00 0.00 -1.21 -4.78 105.19 104.20 1cey n GLY 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cey n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey n ALA 103 N -0.00 1.20 -0.30 4.61 0.00 -1.20 -3.19 120.51 121.63 1cey n ALA 103 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.67 1cey n ALA 103 Cb 0.15 -0.83 0.36 0.00 0.00 0.00 0.00 19.45 19.13 1cey n ALA 103 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1cey n SER 104 N -0.33 0.04 -4.52 0.00 7.64 -1.26 -3.91 113.62 111.29 1cey n SER 104 Ca 0.00 0.55 -0.34 0.00 1.01 0.00 0.00 58.87 60.09 1cey n SER 104 Cb 0.00 -0.27 -0.12 0.00 -1.01 0.00 0.00 64.21 62.81 1cey n SER 104 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1cey s GLY 105 N -3.48 1.67 -0.25 0.23 0.00 -0.11 -4.98 107.32 100.40 1cey s GLY 105 Ca -0.03 -0.87 -0.03 0.00 0.00 0.00 0.00 44.72 43.79 1cey s GLY 105 CO 0.41 -0.42 0.40 -0.47 0.00 0.00 0.00 173.10 173.02 1cey s TYR 106 N -0.28 -0.89 -0.10 1.90 5.04 -1.25 -0.79 117.35 120.98 1cey s TYR 106 Ca 0.04 0.93 -0.04 0.00 -2.44 0.00 0.00 57.07 55.56 1cey s TYR 106 Cb -0.13 0.07 -0.04 0.00 0.35 0.00 0.00 41.96 42.22 1cey s TYR 106 CO 0.02 -0.73 0.05 0.54 -1.34 0.00 0.00 175.55 174.10 1cey s VAL 107 N 2.57 4.74 -0.55 3.14 0.11 -1.06 -4.96 120.40 124.40 1cey s VAL 107 Ca 0.13 -0.08 -0.23 0.00 -2.93 0.00 0.00 61.98 58.87 1cey s VAL 107 Cb -0.15 -3.02 0.05 0.00 -1.53 0.00 0.00 36.38 31.72 1cey s VAL 107 CO -0.16 0.61 0.88 -0.69 -3.33 0.00 0.00 175.10 172.41 1cey s VAL 108 N -0.90 4.48 0.75 2.04 1.01 -1.26 -2.50 120.40 124.02 1cey s VAL 108 Ca 0.14 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 1cey s VAL 108 Cb -0.12 -4.50 0.05 0.00 0.00 0.00 0.00 36.38 31.81 1cey s VAL 108 CO 0.03 -1.08 1.08 -1.59 0.00 0.00 0.00 175.10 173.54 1cey s LYS 109 N 3.69 2.42 0.83 2.72 -2.85 0.35 -4.50 119.74 122.39 1cey s LYS 109 Ca 0.27 1.10 -0.12 0.00 -1.00 0.00 0.00 55.97 56.22 1cey s LYS 109 Cb -0.14 -1.92 0.09 0.00 -2.06 0.00 0.00 37.83 33.80 1cey s LYS 109 CO 0.17 -1.51 1.11 -1.25 0.10 0.00 0.00 175.35 173.97 1cey s PRO 110 N -4.94 1.82 0.03 1.78 0.05 -1.26 -4.39 135.00 128.08 1cey s PRO 110 Ca 0.60 0.53 0.01 0.00 0.05 0.00 0.00 61.00 62.19 1cey s PRO 110 Cb -0.16 -1.90 -0.00 0.00 0.05 0.00 0.00 34.50 32.49 1cey s PRO 110 CO 0.56 -1.78 0.03 1.97 0.05 0.00 0.00 177.00 177.83 1cey n PHE 111 N -3.52 -0.21 -4.08 0.56 1.16 -1.26 -5.06 117.46 105.05 1cey n PHE 111 Ca 0.07 -0.27 -0.14 0.00 -1.87 0.00 0.00 57.45 55.24 1cey n PHE 111 Cb 0.57 0.04 -0.11 0.00 -1.61 0.00 0.00 39.48 38.36 1cey n PHE 111 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1cey s THR 112 N -2.23 0.63 0.46 1.97 2.01 -1.26 -4.90 115.64 112.32 1cey s THR 112 Ca 0.04 -1.13 0.28 0.00 0.31 0.00 0.00 61.69 61.19 1cey s THR 112 Cb 0.00 -0.69 0.48 0.00 0.01 0.00 0.00 72.50 72.30 1cey s THR 112 CO 0.03 -0.37 1.76 0.00 -0.69 0.00 0.00 174.62 175.35 1cey h ALA 113 N 4.44 2.70 -0.01 7.40 0.00 -1.97 2.24 119.26 134.06 1cey h ALA 113 Ca -0.37 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 1cey h ALA 113 Cb 1.20 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1cey h ALA 113 CO 0.41 -1.11 -0.76 0.00 0.00 0.00 0.00 179.25 177.79 1cey h ALA 114 N 1.52 0.72 0.03 0.00 0.00 -1.97 -0.48 119.26 119.08 1cey h ALA 114 Ca 0.62 -0.67 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1cey h ALA 114 Cb 2.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1cey h ALA 114 CO -0.19 0.90 -0.01 1.79 0.00 0.00 0.00 179.25 181.74 1cey h THR 115 N 0.04 0.00 -1.00 0.00 1.35 0.29 -2.07 112.91 111.53 1cey h THR 115 Ca -0.02 -0.84 0.27 0.00 -0.55 0.00 0.00 66.41 65.28 1cey h THR 115 Cb 1.34 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 67.70 1cey h THR 115 CO 0.11 0.00 0.69 0.25 -0.25 0.00 0.00 175.52 176.32 1cey h LEU 116 N -0.88 0.18 0.56 3.87 6.46 0.28 -0.78 115.31 125.01 1cey h LEU 116 Ca -0.00 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.76 1cey h LEU 116 Cb 0.03 -0.00 0.01 0.00 -0.73 0.00 0.00 40.66 39.96 1cey h LEU 116 CO 0.01 0.05 -0.27 -0.08 -0.62 0.00 0.00 178.44 177.52 1cey h GLU 117 N 0.17 -0.73 -1.21 1.25 4.57 -1.10 -2.60 114.58 114.93 1cey h GLU 117 Ca 0.51 0.05 0.38 0.00 -1.18 0.00 0.00 59.36 59.12 1cey h GLU 117 Cb 1.70 0.17 -0.12 0.00 -0.16 0.00 0.00 28.75 30.33 1cey h GLU 117 CO -0.11 -0.42 0.77 0.93 -1.18 0.00 0.00 179.01 179.00 1cey h GLU 118 N -0.97 0.18 -0.35 1.92 5.08 -0.40 0.85 114.58 120.89 1cey h GLU 118 Ca -0.08 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1cey h GLU 118 Cb 0.64 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1cey h GLU 118 CO 0.13 0.12 -0.08 0.87 -1.00 0.00 0.00 179.01 179.04 1cey h LYS 119 N 0.18 0.67 0.33 2.33 6.56 -1.18 -2.79 116.57 122.67 1cey h LYS 119 Ca 0.75 -0.26 -0.01 0.00 -1.06 0.00 0.00 60.65 60.07 1cey h LYS 119 Cb 2.21 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 33.81 1cey h LYS 119 CO -0.40 0.84 -0.36 -0.07 -2.06 0.00 0.00 179.45 177.39 1cey h LEU 120 N 0.46 -0.99 -0.78 2.94 3.38 0.11 -2.11 115.31 118.33 1cey h LEU 120 Ca 0.09 0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.30 1cey h LEU 120 Cb 0.59 0.33 -0.15 0.00 0.09 0.00 0.00 40.66 41.52 1cey h LEU 120 CO 0.03 -0.46 -0.15 -1.13 0.09 0.00 0.00 178.44 176.82 1cey h ASN 121 N -0.69 -0.65 -0.28 -0.43 -1.24 -1.49 0.71 115.58 111.52 1cey h ASN 121 Ca -0.04 0.23 0.08 0.00 0.71 0.00 0.00 56.30 57.28 1cey h ASN 121 Cb 0.61 0.46 -0.01 0.00 0.73 0.00 0.00 38.32 40.10 1cey h ASN 121 CO -0.06 -0.25 0.20 0.11 -1.29 0.00 0.00 177.43 176.15 1cey h LYS 122 N 0.02 0.00 0.07 6.67 1.57 -1.18 -2.79 116.57 120.93 1cey h LYS 122 Ca 0.39 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.86 1cey h LYS 122 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1cey h LYS 122 CO -0.78 0.00 -1.66 0.82 -0.57 0.00 0.00 179.45 177.27 1cey h ILE 123 N 0.00 0.76 0.00 1.86 2.04 0.93 -3.34 117.51 119.76 1cey h ILE 123 Ca 0.13 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 63.72 1cey h ILE 123 Cb 0.54 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1cey h ILE 123 CO -0.00 0.63 0.02 0.49 0.00 0.00 0.00 178.15 179.29 1cey n PHE 124 N -3.93 0.00 0.27 1.37 3.72 0.58 -0.34 117.46 119.14 1cey n PHE 124 Ca -0.32 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.24 1cey n PHE 124 Cb 0.88 -0.48 0.69 0.00 -0.94 0.00 0.00 39.48 39.64 1cey n PHE 124 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1cey h GLU 125 N 0.00 0.00 0.01 -1.08 4.22 -1.63 0.61 114.58 116.72 1cey h GLU 125 Ca 0.00 0.00 -0.34 0.00 0.08 0.00 0.00 59.36 59.10 1cey h GLU 125 Cb 0.04 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 1cey h GLU 125 CO 0.00 0.04 -2.11 1.63 -2.18 0.00 0.00 179.01 176.39 1cey n LYS 126 N -3.17 0.67 0.18 1.92 5.02 0.54 -4.06 118.16 119.27 1cey n LYS 126 Ca 0.00 0.15 0.08 0.00 -2.02 0.00 0.00 58.31 56.51 1cey n LYS 126 Cb 0.30 -1.64 0.12 0.00 -0.02 0.00 0.00 35.03 33.79 1cey n LYS 126 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1cey h LEU 127 N 0.01 0.00 -2.97 -0.35 7.12 -1.38 -3.48 115.31 114.25 1cey h LEU 127 Ca -0.44 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.53 1cey h LEU 127 Cb 2.11 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.24 1cey h LEU 127 CO 0.04 0.23 -1.00 0.61 -0.13 0.00 0.00 178.44 178.20 1cey n GLY 128 N 1.12 -1.33 0.48 3.75 0.00 0.21 -5.07 105.19 104.35 1cey n GLY 128 Ca 0.03 0.30 0.14 0.00 0.00 0.00 0.00 46.02 46.49 1cey n GLY 128 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47