#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 -0.25 -0.89 0.00 2.03 -1.26 -4.82 116.55 111.37 1cey n ASP 3 Ca 0.00 1.10 0.05 0.00 0.52 0.00 0.00 54.79 56.46 1cey n ASP 3 Cb 0.00 -1.11 0.18 0.00 -0.72 0.00 0.00 41.12 39.47 1cey n ASP 3 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1cey n LYS 4 N 0.83 2.29 -2.74 -0.67 4.76 -1.26 -4.14 118.16 117.22 1cey n LYS 4 Ca 0.13 -1.46 -0.03 0.00 -2.87 0.00 0.00 58.31 54.08 1cey n LYS 4 Cb 0.31 -1.51 0.08 0.00 -1.84 0.00 0.00 35.03 32.06 1cey n LYS 4 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1cey n GLU 5 N 0.51 1.45 -2.46 1.97 2.13 -1.26 -3.71 120.64 119.27 1cey n GLU 5 Ca 0.13 -2.60 -0.41 0.00 0.66 0.00 0.00 57.16 54.94 1cey n GLU 5 Cb 0.47 -0.77 -0.04 0.00 0.27 0.00 0.00 31.44 31.37 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1cey s LEU 6 N -3.70 4.49 -0.20 4.31 2.96 -1.26 -4.87 118.68 120.41 1cey s LEU 6 Ca 0.21 2.17 -0.27 0.00 -0.22 0.00 0.00 54.13 56.02 1cey s LEU 6 Cb 0.39 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 43.47 1cey s LEU 6 CO -0.06 -0.26 0.94 -0.54 -1.32 0.00 0.00 176.35 175.12 1cey s LYS 7 N -0.53 4.27 0.21 1.98 1.02 -1.26 -4.61 119.74 120.83 1cey s LYS 7 Ca 0.49 1.19 0.06 0.00 0.02 0.00 0.00 55.97 57.74 1cey s LYS 7 Cb -0.31 -3.61 -0.04 0.00 -0.52 0.00 0.00 37.83 33.35 1cey s LYS 7 CO 0.37 -0.49 0.14 -0.06 -0.92 0.00 0.00 175.35 174.39 1cey s PHE 8 N 2.70 3.07 -0.29 3.18 0.40 -0.99 -1.05 117.98 125.00 1cey s PHE 8 Ca 0.41 -0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.66 1cey s PHE 8 Cb -0.16 -1.43 0.09 0.00 0.51 0.00 0.00 43.02 42.04 1cey s PHE 8 CO 0.10 0.53 0.06 -1.17 0.70 0.00 0.00 175.22 175.44 1cey s LEU 9 N -3.47 2.60 -0.55 -0.37 2.96 -0.72 -1.34 118.68 117.79 1cey s LEU 9 Ca 0.32 -1.59 -0.21 0.00 -0.22 0.00 0.00 54.13 52.43 1cey s LEU 9 Cb -0.09 -1.01 0.06 0.00 0.50 0.00 0.00 46.19 45.66 1cey s LEU 9 CO 0.23 -0.38 0.75 -0.69 -1.32 0.00 0.00 176.35 174.95 1cey s VAL 10 N 1.49 4.69 -0.37 1.68 1.01 -0.90 -0.60 120.40 127.41 1cey s VAL 10 Ca 0.07 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 1cey s VAL 10 Cb -0.18 -4.43 -0.00 0.00 0.00 0.00 0.00 36.38 31.77 1cey s VAL 10 CO -0.18 -1.01 0.42 -0.69 0.00 0.00 0.00 175.10 173.64 1cey s VAL 11 N 3.10 5.10 -0.04 2.92 1.01 -0.63 -2.36 120.40 129.50 1cey s VAL 11 Ca 0.18 0.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.88 1cey s VAL 11 Cb -0.18 -3.92 0.11 0.00 0.00 0.00 0.00 36.38 32.39 1cey s VAL 11 CO 0.12 -0.22 1.10 -0.62 0.00 0.00 0.00 175.10 175.48 1cey s ASP 12 N 1.76 -0.19 -0.19 3.32 2.15 -0.97 -4.05 116.67 118.52 1cey s ASP 12 Ca 0.14 -0.10 -0.16 0.00 0.43 0.00 0.00 52.55 52.86 1cey s ASP 12 Cb -0.16 0.27 -0.07 0.00 -0.30 0.00 0.00 42.92 42.66 1cey s ASP 12 CO 0.13 -0.46 -0.30 0.47 -0.17 0.00 0.00 175.17 174.83 1cey n ASP 13 N -0.29 1.92 0.00 -0.34 9.92 -1.26 -4.52 116.55 121.98 1cey n ASP 13 Ca -0.05 0.39 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 1cey n ASP 13 Cb 0.61 -0.78 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 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 -4.46 0.00 0.00 1.24 -1.74 -1.26 -4.84 117.46 106.40 1cey n PHE 14 Ca -0.19 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.70 1cey n PHE 14 Cb 0.53 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.53 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 -0.47 0.00 0.00 5.98 3.41 -1.26 -4.94 113.62 116.35 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 -4.90 114.28 120.44 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 -0.35 0.00 0.00 -1.55 0.00 0.00 70.33 68.43 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 -1.49 0.00 -0.52 1.09 0.00 -1.26 0.69 117.12 115.63 1cey n MET 17 Ca 0.00 0.46 0.40 0.00 0.00 0.00 0.00 57.70 58.56 1cey n MET 17 Cb 0.22 -0.89 0.62 0.00 0.00 0.00 0.00 33.22 33.17 1cey n MET 17 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 1cey n ARG 18 N -1.04 -0.01 0.03 2.12 1.85 -1.26 0.94 116.66 119.29 1cey n ARG 18 Ca 0.00 0.88 -0.12 0.00 -1.00 0.00 0.00 57.85 57.61 1cey n ARG 18 Cb 0.00 -1.96 -0.06 0.00 -1.05 0.00 0.00 32.46 29.39 1cey n ARG 18 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1cey h ARG 19 N 0.00 0.05 0.41 2.89 2.43 -0.08 0.79 114.38 120.85 1cey h ARG 19 Ca 0.73 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.88 1cey h ARG 19 Cb 2.82 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 32.36 1cey h ARG 19 CO -0.08 0.03 -0.19 0.82 -1.51 0.00 0.00 179.97 179.04 1cey h ILE 20 N 0.04 0.60 0.00 1.20 5.03 0.68 -2.66 117.51 122.41 1cey h ILE 20 Ca 0.01 -0.21 0.00 0.00 -0.12 0.00 0.00 64.86 64.55 1cey h ILE 20 Cb -0.00 0.71 0.00 0.00 -3.03 0.00 0.00 36.82 34.49 1cey h ILE 20 CO -0.00 0.04 0.00 0.58 -0.68 0.00 0.00 178.15 178.09 1cey h VAL 21 N -0.66 0.00 0.45 1.67 2.07 -1.45 -2.49 116.25 115.84 1cey h VAL 21 Ca -0.06 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1cey h VAL 21 Cb 0.48 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1cey h VAL 21 CO 0.09 0.00 -0.22 0.03 0.02 0.00 0.00 177.57 177.49 1cey h ARG 22 N 0.00 -0.59 0.21 1.57 2.47 0.98 -1.75 114.38 117.27 1cey h ARG 22 Ca 0.00 0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1cey h ARG 22 Cb 0.36 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 1cey h ARG 22 CO 0.00 -0.33 -0.10 -0.97 0.56 0.00 0.00 179.97 179.13 1cey h ASN 23 N -0.74 -0.24 -0.82 7.04 -1.24 -1.51 -2.24 115.58 115.83 1cey h ASN 23 Ca -0.06 -0.25 0.11 0.00 0.71 0.00 0.00 56.30 56.81 1cey h ASN 23 Cb 0.53 0.06 -0.13 0.00 0.73 0.00 0.00 38.32 39.51 1cey h ASN 23 CO 0.10 0.16 -0.44 0.25 -1.29 0.00 0.00 177.43 176.20 1cey h LEU 24 N -0.68 -1.60 0.22 0.34 5.85 -1.49 0.71 115.31 118.67 1cey h LEU 24 Ca -0.03 0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 1cey h LEU 24 Cb 0.48 0.76 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1cey h LEU 24 CO 0.05 -0.29 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.63 1cey h LEU 25 N -0.09 -0.38 -1.73 2.25 3.38 -1.34 -0.17 115.31 117.22 1cey h LEU 25 Ca 0.24 0.03 0.27 0.00 0.09 0.00 0.00 57.88 58.51 1cey h LEU 25 Cb 0.54 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 1cey h LEU 25 CO -0.85 -0.24 0.69 0.07 0.09 0.00 0.00 178.44 178.19 1cey h LYS 26 N -0.37 0.18 -0.28 1.13 2.10 -0.15 0.81 116.57 119.99 1cey h LYS 26 Ca -0.02 -0.01 -0.15 0.00 -2.00 0.00 0.00 60.65 58.47 1cey h LYS 26 Cb 0.32 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 1cey h LYS 26 CO 0.01 0.12 -0.43 1.49 -2.00 0.00 0.00 179.45 178.64 1cey h GLU 27 N 0.19 0.69 0.00 0.07 4.57 0.20 -2.28 114.58 118.01 1cey h GLU 27 Ca 0.51 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1cey h GLU 27 Cb 1.66 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.27 1cey h GLU 27 CO -0.12 0.99 0.00 1.28 -1.18 0.00 0.00 179.01 179.98 1cey n LEU 28 N -4.02 0.17 -0.34 1.64 4.32 0.27 -4.91 117.00 114.13 1cey n LEU 28 Ca -0.02 0.53 0.00 0.00 -0.02 0.00 0.00 56.01 56.49 1cey n LEU 28 Cb 0.55 -0.48 0.00 0.00 -1.62 0.00 0.00 43.42 41.86 1cey n LEU 28 CO 0.47 -0.16 0.00 0.61 -1.22 0.00 0.00 177.39 177.08 1cey n GLY 29 N 0.82 0.53 3.25 -0.72 0.00 -0.18 -4.93 105.19 103.97 1cey n GLY 29 Ca 0.05 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.83 -0.27 -0.42 1.61 0.08 -1.19 -4.20 117.98 111.75 1cey s PHE 30 Ca 0.00 0.55 0.09 0.00 0.12 0.00 0.00 56.93 57.69 1cey s PHE 30 Cb 0.00 0.12 0.31 0.00 -0.57 0.00 0.00 43.02 42.88 1cey s PHE 30 CO 0.00 -0.32 0.87 -1.71 -0.10 0.00 0.00 175.22 173.96 1cey n ASN 31 N 1.88 -0.91 -3.15 1.36 2.85 -1.24 -4.23 115.26 111.80 1cey n ASN 31 Ca -0.18 -3.28 0.06 0.00 -0.11 0.00 0.00 54.58 51.07 1cey n ASN 31 Cb 0.57 0.65 -0.00 0.00 1.24 0.00 0.00 39.78 42.24 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1cey s ASN 32 N -1.75 -0.36 0.02 1.20 3.04 -1.26 -5.02 114.94 110.81 1cey s ASN 32 Ca 0.32 0.05 -0.15 0.00 0.04 0.00 0.00 52.86 53.12 1cey s ASN 32 Cb 0.29 1.23 0.02 0.00 -1.54 0.00 0.00 41.25 41.26 1cey s ASN 32 CO -0.09 -0.07 0.32 0.54 -3.04 0.00 0.00 177.10 174.76 1cey s VAL 33 N 2.96 0.07 0.15 -5.21 0.11 -1.26 -2.34 120.40 114.88 1cey s VAL 33 Ca 0.26 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.74 1cey s VAL 33 Cb -0.02 -0.82 -0.00 0.00 -1.53 0.00 0.00 36.38 34.01 1cey s VAL 33 CO -0.22 -0.32 0.00 -0.62 -3.33 0.00 0.00 175.10 170.62 1cey n GLU 34 N 0.83 1.60 -3.87 1.54 -0.58 -0.45 -4.95 120.64 114.77 1cey n GLU 34 Ca -0.20 -1.09 -0.09 0.00 -0.42 0.00 0.00 57.16 55.36 1cey n GLU 34 Cb 0.58 0.30 -0.07 0.00 -0.57 0.00 0.00 31.44 31.68 1cey n GLU 34 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1cey s GLU 35 N -2.54 0.84 0.00 3.49 2.02 -1.26 -2.12 118.70 119.13 1cey s GLU 35 Ca 0.00 -0.98 0.00 0.00 0.02 0.00 0.00 54.97 54.02 1cey s GLU 35 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.57 1cey s GLU 35 CO 0.00 -0.26 0.00 0.00 0.02 0.00 0.00 175.26 175.02 1cey n ALA 36 N -0.06 0.00 -0.59 5.21 0.00 -1.00 -4.93 120.51 119.15 1cey n ALA 36 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1cey n ALA 36 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 0.00 0.00 -1.99 0.00 1.02 -1.26 -2.28 120.64 116.13 1cey n GLU 37 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1cey n GLU 37 Cb 0.00 -0.22 0.00 0.00 -0.02 0.00 0.00 31.44 31.20 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 0.00 -0.14 -0.06 1.62 5.68 -1.26 -4.67 116.55 117.72 1cey n ASP 38 Ca 0.00 -1.04 -0.13 0.00 -0.50 0.00 0.00 54.79 53.11 1cey n ASP 38 Cb 0.12 0.22 -0.07 0.00 -1.14 0.00 0.00 41.12 40.26 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 0.21 0.50 0.90 6.12 0.00 -1.95 0.17 103.07 109.02 1cey h GLY 39 Ca -0.02 -0.54 0.14 0.00 0.00 0.00 0.00 47.33 46.91 1cey h GLY 39 CO 0.03 0.49 0.41 -0.24 0.00 0.00 0.00 176.54 177.23 1cey h VAL 40 N 0.11 0.77 0.00 4.60 3.04 -1.97 0.33 116.25 123.13 1cey h VAL 40 Ca 0.02 -0.05 -0.08 0.00 -1.01 0.00 0.00 66.70 65.58 1cey h VAL 40 Cb 0.78 0.60 -0.01 0.00 -2.01 0.00 0.00 31.29 30.65 1cey h VAL 40 CO 0.05 0.03 -0.48 -0.78 -1.01 0.00 0.00 177.57 175.38 1cey h ASP 41 N 0.16 0.00 -0.79 3.17 1.82 -1.89 -2.80 116.42 116.08 1cey h ASP 41 Ca 0.28 -0.64 0.14 0.00 -0.39 0.00 0.00 57.03 56.42 1cey h ASP 41 Cb 0.90 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.86 1cey h ASP 41 CO -0.04 1.10 0.52 0.00 -1.61 0.00 0.00 179.24 179.21 1cey h ALA 42 N -0.36 1.98 0.42 -0.78 0.00 -0.17 0.24 119.26 120.61 1cey h ALA 42 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1cey h ALA 42 Cb 0.96 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1cey h ALA 42 CO -0.07 -0.19 -0.20 1.25 0.00 0.00 0.00 179.25 180.03 1cey h LEU 43 N 0.54 -0.48 -2.14 0.00 5.85 -0.47 0.82 115.31 119.42 1cey h LEU 43 Ca 0.39 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 59.04 1cey h LEU 43 Cb 0.75 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1cey h LEU 43 CO -0.15 -0.08 0.12 0.78 -0.34 0.00 0.00 178.44 178.77 1cey h ASN 44 N -0.97 0.00 0.77 1.25 2.35 -1.11 -1.11 115.58 116.76 1cey h ASN 44 Ca -0.06 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.56 1cey h ASN 44 Cb 0.56 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 1cey h ASN 44 CO 0.09 0.00 -1.31 0.29 -1.65 0.00 0.00 177.43 174.85 1cey n LYS 45 N -4.21 0.62 0.33 0.81 4.76 0.80 -3.77 118.16 117.50 1cey n LYS 45 Ca 0.00 0.20 0.22 0.00 -2.87 0.00 0.00 58.31 55.87 1cey n LYS 45 Cb 0.24 -1.81 1.18 0.00 -1.84 0.00 0.00 35.03 32.79 1cey n LYS 45 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1cey h LEU 46 N 0.00 0.00 -0.07 -0.35 -0.00 0.20 0.35 115.31 115.44 1cey h LEU 46 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 1cey h LEU 46 Cb 1.45 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.11 1cey h LEU 46 CO 0.04 0.00 -0.33 0.00 -0.00 0.00 0.00 178.44 178.15 1cey n GLN 47 N -3.09 0.15 0.00 1.13 6.02 -1.20 -3.45 117.38 116.93 1cey n GLN 47 Ca -0.03 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 1cey n GLN 47 Cb 0.09 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.85 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cey n ALA 48 N -1.36 -0.11 -1.29 -1.58 0.00 0.12 -4.47 120.51 111.82 1cey n ALA 48 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1cey n ALA 48 Cb 0.33 0.32 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1cey n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cey n GLY 49 N -0.97 -1.84 1.27 0.00 0.00 -1.26 -5.07 105.19 97.32 1cey n GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -1.94 3.60 -0.02 0.00 -1.22 -4.90 105.19 100.70 1cey n GLY 50 Ca 0.00 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1cey n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cey s TYR 51 N -0.21 1.63 -1.90 1.61 2.02 -1.26 -4.78 117.35 114.46 1cey s TYR 51 Ca 0.00 0.64 0.03 0.00 -0.37 0.00 0.00 57.07 57.37 1cey s TYR 51 Cb 0.00 -4.06 0.15 0.00 -0.40 0.00 0.00 41.96 37.65 1cey s TYR 51 CO 0.00 -3.18 0.69 0.41 -1.57 0.00 0.00 175.55 171.90 1cey n GLY 52 N 5.53 -0.13 3.57 0.71 0.00 -1.07 -4.60 105.19 109.20 1cey n GLY 52 Ca 0.25 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.10 -0.49 -0.00 1.61 2.19 -0.22 -4.31 117.98 114.65 1cey s PHE 53 Ca 0.04 0.93 -0.02 0.00 0.33 0.00 0.00 56.93 58.20 1cey s PHE 53 Cb 0.02 0.42 -0.00 0.00 -1.31 0.00 0.00 43.02 42.14 1cey s PHE 53 CO 0.03 -0.41 0.04 0.08 1.83 0.00 0.00 175.22 176.80 1cey s VAL 54 N -0.86 0.05 -0.10 3.12 1.01 -0.75 -1.76 120.40 121.11 1cey s VAL 54 Ca -0.04 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1cey s VAL 54 Cb -0.01 -0.21 0.02 0.00 0.00 0.00 0.00 36.38 36.18 1cey s VAL 54 CO 0.03 -0.23 -0.09 -0.63 0.00 0.00 0.00 175.10 174.18 1cey s ILE 55 N -0.72 1.06 -0.05 2.22 1.01 0.23 -0.46 121.20 124.50 1cey s ILE 55 Ca -0.08 -0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.17 1cey s ILE 55 Cb -0.05 -1.05 0.01 0.00 0.01 0.00 0.00 42.46 41.38 1cey s ILE 55 CO -0.00 0.37 0.17 -0.94 0.00 0.00 0.00 174.94 174.53 1cey s SER 56 N 1.46 -0.15 0.95 3.58 1.04 -1.26 -1.60 113.70 117.72 1cey s SER 56 Ca 0.00 0.26 -0.12 0.00 0.48 0.00 0.00 55.95 56.58 1cey s SER 56 Cb -0.13 0.33 0.16 0.00 0.10 0.00 0.00 66.02 66.47 1cey s SER 56 CO -0.06 -0.10 1.09 -0.62 0.98 0.00 0.00 173.24 174.53 1cey s ASP 57 N -0.13 3.00 0.00 7.02 -1.08 -1.26 -2.12 116.67 122.10 1cey s ASP 57 Ca -0.02 1.36 0.00 0.00 -0.52 0.00 0.00 52.55 53.37 1cey s ASP 57 Cb -0.02 -2.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.40 1cey s ASP 57 CO 0.00 -2.92 0.10 1.87 0.52 0.00 0.00 175.17 174.74 1cey n TRP 58 N -4.06 0.00 -2.08 -5.34 -0.00 -1.23 -4.62 117.44 100.12 1cey n TRP 58 Ca 0.06 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.14 1cey n TRP 58 Cb 0.56 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.84 1cey n TRP 58 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1cey s ASN 59 N -1.50 6.73 0.10 5.87 3.84 -1.26 -0.14 114.94 128.59 1cey s ASN 59 Ca 0.00 2.49 0.00 0.00 0.21 0.00 0.00 52.86 55.56 1cey s ASN 59 Cb 0.00 -2.60 0.00 0.00 -0.55 0.00 0.00 41.25 38.10 1cey s ASN 59 CO 0.00 -0.69 0.00 0.23 -2.79 0.00 0.00 177.10 173.85 1cey n MET 60 N 3.45 0.00 0.00 0.43 2.81 -1.26 -4.83 117.12 117.73 1cey n MET 60 Ca 0.10 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 1cey n MET 60 Cb 0.41 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.92 1cey n MET 60 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1cey n PRO 61 N -2.69 0.50 0.01 0.03 -0.05 -1.26 -4.76 135.00 126.78 1cey n PRO 61 Ca 0.00 0.00 0.06 0.00 -0.05 0.00 0.00 63.50 63.51 1cey n PRO 61 Cb 0.00 0.00 0.25 0.00 -0.05 0.00 0.00 33.50 33.70 1cey n PRO 61 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 175.50 175.72 1cey n ASN 62 N -0.54 0.04 0.00 3.54 2.04 -1.26 -4.65 115.26 114.43 1cey n ASN 62 Ca 0.00 0.51 0.00 0.00 -0.44 0.00 0.00 54.58 54.65 1cey n ASN 62 Cb 0.00 -0.52 0.00 0.00 -2.53 0.00 0.00 39.78 36.73 1cey n ASN 62 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 1cey n MET 63 N -1.55 0.00 -4.50 -3.83 2.81 -1.26 -5.15 117.12 103.64 1cey n MET 63 Ca 0.02 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.67 1cey n MET 63 Cb 0.13 0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 32.50 1cey n MET 63 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1cey s ASP 64 N 1.04 2.44 0.00 7.83 1.01 -1.26 -4.03 116.67 123.70 1cey s ASP 64 Ca 0.00 -0.58 0.00 0.00 0.71 0.00 0.00 52.55 52.68 1cey s ASP 64 Cb 0.00 -0.17 0.00 0.00 1.01 0.00 0.00 42.92 43.76 1cey s ASP 64 CO 0.00 0.11 0.63 0.61 0.21 0.00 0.00 175.17 176.73 1cey n GLY 65 N 1.58 -0.20 0.00 0.21 0.00 0.80 -3.09 105.19 104.50 1cey n GLY 65 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1cey n GLY 65 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1cey n LEU 66 N -1.13 0.00 -0.30 0.99 -0.00 -1.26 -0.87 117.00 114.43 1cey n LEU 66 Ca 0.00 0.93 0.14 0.00 -0.00 0.00 0.00 56.01 57.08 1cey n LEU 66 Cb 0.12 -0.43 0.30 0.00 -0.00 0.00 0.00 43.42 43.42 1cey n LEU 66 CO 0.00 -0.43 0.94 -0.08 -0.00 0.00 0.00 177.39 177.82 1cey h GLU 67 N 0.00 0.19 -0.59 1.96 4.81 -1.96 1.18 114.58 120.17 1cey h GLU 67 Ca 0.00 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.32 1cey h GLU 67 Cb 0.00 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 1cey h GLU 67 CO 0.00 0.13 0.40 1.25 -0.73 0.00 0.00 179.01 180.06 1cey h LEU 68 N 0.20 0.35 0.10 1.64 5.85 -1.55 0.13 115.31 122.03 1cey h LEU 68 Ca 0.56 0.01 -0.34 0.00 0.84 0.00 0.00 57.88 58.96 1cey h LEU 68 Cb 1.15 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1cey h LEU 68 CO -0.67 0.21 -1.84 0.25 -0.34 0.00 0.00 178.44 176.05 1cey h LEU 69 N 0.39 0.32 -0.23 2.25 5.85 0.31 -3.36 115.31 120.84 1cey h LEU 69 Ca 0.28 -0.65 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 1cey h LEU 69 Cb 0.56 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1cey h LEU 69 CO -0.07 1.57 0.13 0.50 -0.34 0.00 0.00 178.44 180.23 1cey h LYS 70 N 0.06 0.32 -1.02 1.25 3.64 0.88 -1.96 116.57 119.73 1cey h LYS 70 Ca -0.36 -0.04 0.27 0.00 -1.27 0.00 0.00 60.65 59.26 1cey h LYS 70 Cb 2.03 -0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 33.67 1cey h LYS 70 CO 0.10 0.28 0.61 1.79 -2.27 0.00 0.00 179.45 179.97 1cey h THR 71 N 0.26 0.48 -0.41 1.00 1.35 -0.93 0.56 112.91 115.23 1cey h THR 71 Ca 0.08 -0.17 -0.04 0.00 -0.55 0.00 0.00 66.41 65.73 1cey h THR 71 Cb 0.06 -0.05 -0.02 0.00 -1.73 0.00 0.00 68.15 66.41 1cey h THR 71 CO -0.01 0.09 0.10 0.40 -0.25 0.00 0.00 175.52 175.85 1cey h ILE 72 N 0.49 1.23 0.00 6.82 2.04 -1.50 -2.35 117.51 124.24 1cey h ILE 72 Ca 0.66 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 1cey h ILE 72 Cb 1.40 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1cey h ILE 72 CO -0.46 0.27 -0.23 -0.09 0.00 0.00 0.00 178.15 177.64 1cey h ARG 73 N 0.52 0.00 -1.31 2.37 1.12 0.29 -2.68 114.38 114.69 1cey h ARG 73 Ca 0.13 0.00 0.38 0.00 -1.11 0.00 0.00 59.98 59.38 1cey h ARG 73 Cb 0.31 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.22 1cey h ARG 73 CO 0.00 0.23 0.98 0.00 -3.11 0.00 0.00 179.97 178.08 1cey h ALA 74 N 1.77 3.23 -3.00 2.80 0.00 -0.17 -3.40 119.26 120.48 1cey h ALA 74 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1cey h ALA 74 Cb 0.46 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1cey h ALA 74 CO 0.03 -1.66 0.00 -0.25 0.00 0.00 0.00 179.25 177.37 1cey n ASP 75 N -4.04 -1.35 0.00 0.00 9.92 -1.01 -5.01 116.55 115.06 1cey n ASP 75 Ca 0.29 -0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.39 1cey n ASP 75 Cb 1.40 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.88 1cey n ASP 75 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cey n GLY 76 N 0.92 0.01 0.09 0.44 0.00 -1.26 -4.69 105.19 100.69 1cey n GLY 76 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.70 0.69 0.01 4.61 0.00 -1.26 -4.32 120.51 119.54 1cey n ALA 77 Ca 0.00 -0.57 0.06 0.00 0.00 0.00 0.00 53.44 52.93 1cey n ALA 77 Cb 0.00 -0.14 0.25 0.00 0.00 0.00 0.00 19.45 19.56 1cey n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cey n MET 78 N -4.50 3.05 -0.89 0.00 -0.00 -1.26 -4.56 117.12 108.96 1cey n MET 78 Ca -0.20 -1.95 -0.11 0.00 -0.00 0.00 0.00 57.70 55.43 1cey n MET 78 Cb 0.49 -1.78 -0.15 0.00 -0.00 0.00 0.00 33.22 31.78 1cey n MET 78 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1cey n SER 79 N 0.59 4.69 -0.29 3.17 3.41 -1.26 -3.29 113.62 120.64 1cey n SER 79 Ca 0.17 -2.37 0.00 0.00 -0.26 0.00 0.00 58.87 56.42 1cey n SER 79 Cb 0.71 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cey n ALA 80 N 2.59 1.58 -1.96 7.33 0.00 -1.26 -4.86 120.51 123.92 1cey n ALA 80 Ca 0.39 -0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1cey n ALA 80 Cb 0.79 -0.14 -0.03 0.00 0.00 0.00 0.00 19.45 20.07 1cey n ALA 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1cey s LEU 81 N 0.00 4.37 0.41 0.00 1.43 -1.21 -4.93 118.68 118.75 1cey s LEU 81 Ca 0.00 2.52 -0.27 0.00 -1.03 0.00 0.00 54.13 55.35 1cey s LEU 81 Cb 0.00 -3.58 -0.10 0.00 0.03 0.00 0.00 46.19 42.54 1cey s LEU 81 CO 0.00 -0.83 1.47 -2.16 0.23 0.00 0.00 176.35 175.05 1cey s PRO 82 N 1.82 3.92 -0.13 1.29 0.04 -1.26 -4.89 135.00 135.79 1cey s PRO 82 Ca 0.71 2.52 -0.00 0.00 0.04 0.00 0.00 61.00 64.27 1cey s PRO 82 Cb -0.41 -2.83 0.02 0.00 0.04 0.00 0.00 34.50 31.32 1cey s PRO 82 CO 0.31 -0.66 -0.10 0.08 0.04 0.00 0.00 177.00 176.67 1cey s VAL 83 N -1.15 1.27 -1.05 -0.36 1.01 -1.22 -1.82 120.40 117.08 1cey s VAL 83 Ca 0.56 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 1cey s VAL 83 Cb -0.46 -1.24 0.30 0.00 0.00 0.00 0.00 36.38 34.98 1cey s VAL 83 CO 0.61 0.39 1.34 -0.11 0.00 0.00 0.00 175.10 177.33 1cey n LEU 84 N 4.87 6.01 -4.20 3.92 7.94 0.39 -0.07 117.00 135.86 1cey n LEU 84 Ca -0.14 -5.20 -0.35 0.00 -1.11 0.00 0.00 56.01 49.21 1cey n LEU 84 Cb 0.50 -1.26 0.11 0.00 0.53 0.00 0.00 43.42 43.30 1cey n LEU 84 CO 0.19 1.66 -0.93 0.23 -1.11 0.00 0.00 177.39 177.43 1cey n MET 85 N 1.55 -0.65 -3.68 1.96 2.81 0.14 -4.17 117.12 115.08 1cey n MET 85 Ca 0.26 -0.17 -0.14 0.00 -1.81 0.00 0.00 57.70 55.83 1cey n MET 85 Cb 0.35 -1.46 -0.14 0.00 -0.71 0.00 0.00 33.22 31.26 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 -2.18 -0.30 0.30 2.03 1.01 -0.90 -2.55 120.40 117.80 1cey s VAL 86 Ca 0.49 0.28 -0.08 0.00 0.00 0.00 0.00 61.98 62.67 1cey s VAL 86 Cb -0.10 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.90 1cey s VAL 86 CO 0.69 0.11 0.48 0.28 0.00 0.00 0.00 175.10 176.67 1cey s THR 87 N 2.14 0.00 -0.16 3.92 -1.32 -1.08 -3.53 115.64 115.60 1cey s THR 87 Ca -0.00 -1.50 0.03 0.00 -1.21 0.00 0.00 61.69 59.01 1cey s THR 87 Cb -0.12 -2.46 -0.12 0.00 -1.51 0.00 0.00 72.50 68.29 1cey s THR 87 CO -0.08 0.00 -0.11 0.00 -2.21 0.00 0.00 174.62 172.22 1cey n ALA 88 N -0.46 1.64 -0.21 11.08 0.00 -1.26 0.22 120.51 131.52 1cey n ALA 88 Ca -0.01 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1cey n ALA 88 Cb 0.62 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.14 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 -2.90 0.00 -2.38 0.00 2.13 -1.26 -4.78 120.64 111.45 1cey n GLU 89 Ca -0.29 0.28 -0.03 0.00 0.66 0.00 0.00 57.16 57.78 1cey n GLU 89 Cb 0.85 -0.75 -0.02 0.00 0.27 0.00 0.00 31.44 31.79 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1cey n ALA 90 N -1.87 -3.49 -1.00 4.31 0.00 -1.26 -5.02 120.51 112.18 1cey n ALA 90 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 53.44 54.67 1cey n ALA 90 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.03 1cey n ALA 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1cey n LYS 91 N 0.97 0.00 0.00 0.00 5.02 -1.26 -5.04 118.16 117.86 1cey n LYS 91 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 1cey n LYS 91 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.30 1cey n LYS 91 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1cey n LYS 92 N 0.00 0.00 0.00 1.97 2.85 -1.26 -4.82 118.16 116.90 1cey n LYS 92 Ca 0.00 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.37 1cey n LYS 92 Cb 0.00 -0.05 0.57 0.00 -0.65 0.00 0.00 35.03 34.90 1cey n LYS 92 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1cey n GLU 93 N -2.37 0.31 0.00 -1.58 -0.00 -1.26 -2.74 120.64 112.99 1cey n GLU 93 Ca 0.00 0.07 -0.05 0.00 -0.00 0.00 0.00 57.16 57.19 1cey n GLU 93 Cb 0.00 -1.50 -0.11 0.00 -0.00 0.00 0.00 31.44 29.83 1cey n GLU 93 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1cey n ASN 94 N -1.29 0.88 0.24 -1.84 4.13 -1.26 -3.85 115.26 112.26 1cey n ASN 94 Ca 0.11 0.41 0.13 0.00 1.68 0.00 0.00 54.58 56.90 1cey n ASN 94 Cb 0.19 0.02 0.48 0.00 -1.54 0.00 0.00 39.78 38.92 1cey n ASN 94 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1cey h ILE 95 N 0.00 0.26 0.09 2.41 1.08 -1.83 -2.94 117.51 116.59 1cey h ILE 95 Ca -0.23 -0.93 -0.00 0.00 -0.39 0.00 0.00 64.86 63.31 1cey h ILE 95 Cb 1.82 1.74 0.00 0.00 -3.07 0.00 0.00 36.82 37.31 1cey h ILE 95 CO 0.06 0.11 -0.04 0.40 -0.69 0.00 0.00 178.15 177.99 1cey h ILE 96 N 0.00 0.00 -0.83 -0.67 2.04 -1.67 -1.95 117.51 114.44 1cey h ILE 96 Ca -0.00 -0.32 0.20 0.00 1.00 0.00 0.00 64.86 65.75 1cey h ILE 96 Cb 0.73 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.67 1cey h ILE 96 CO 0.02 0.00 0.08 0.00 0.00 0.00 0.00 178.15 178.24 1cey h ALA 97 N -1.63 0.99 0.30 1.87 0.00 -1.67 0.12 119.26 119.24 1cey h ALA 97 Ca -0.01 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1cey h ALA 97 Cb 0.09 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1cey h ALA 97 CO 0.02 -0.45 -0.16 0.00 0.00 0.00 0.00 179.25 178.66 1cey h ALA 98 N 1.77 -0.43 -0.96 0.00 0.00 -1.62 -2.45 119.26 115.57 1cey h ALA 98 Ca 0.48 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.47 1cey h ALA 98 Cb 0.91 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.79 1cey h ALA 98 CO -0.70 -0.74 0.56 0.00 0.00 0.00 0.00 179.25 178.37 1cey h ALA 99 N 0.26 1.53 -0.08 0.00 0.00 0.00 0.49 119.26 121.46 1cey h ALA 99 Ca -0.04 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1cey h ALA 99 Cb 0.35 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1cey h ALA 99 CO 0.05 -0.02 0.19 0.37 0.00 0.00 0.00 179.25 179.84 1cey h GLN 100 N 0.76 0.00 0.00 0.00 5.75 -0.63 -3.10 115.11 117.88 1cey h GLN 100 Ca 0.53 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.03 1cey h GLN 100 Cb 0.76 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.31 1cey h GLN 100 CO -0.36 0.00 -0.61 0.00 -2.65 0.00 0.00 178.83 175.21 1cey n ALA 101 N -2.13 0.54 -0.20 3.38 0.00 0.16 -5.00 120.51 117.27 1cey n ALA 101 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1cey n ALA 101 Cb 0.27 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 1.57 0.20 0.06 0.00 0.00 -0.74 -4.53 105.19 101.74 1cey n GLY 102 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 1.14 -0.30 4.61 0.00 -1.08 -3.38 120.51 121.51 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 0.00 -0.79 0.37 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.31 0.03 -4.52 0.00 7.64 -1.26 -3.81 113.62 111.40 1cey n SER 104 Ca 0.00 0.53 -0.34 0.00 1.01 0.00 0.00 58.87 60.07 1cey n SER 104 Cb 0.00 -0.26 -0.12 0.00 -1.01 0.00 0.00 64.21 62.82 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 -3.47 1.77 -0.22 0.23 0.00 0.90 -4.97 107.32 101.56 1cey s GLY 105 Ca -0.03 -0.85 -0.03 0.00 0.00 0.00 0.00 44.72 43.81 1cey s GLY 105 CO 0.41 0.05 0.30 -0.47 0.00 0.00 0.00 173.10 173.38 1cey s TYR 106 N 0.53 -0.55 -0.13 1.90 5.04 -1.25 0.25 117.35 123.15 1cey s TYR 106 Ca -0.01 0.52 -0.04 0.00 -2.44 0.00 0.00 57.07 55.10 1cey s TYR 106 Cb -0.14 -0.18 -0.03 0.00 0.35 0.00 0.00 41.96 41.96 1cey s TYR 106 CO 0.02 -0.66 0.02 0.54 -1.34 0.00 0.00 175.55 174.13 1cey s VAL 107 N 2.43 4.45 -0.81 3.14 0.11 -1.06 -4.96 120.40 123.70 1cey s VAL 107 Ca 0.10 -0.18 -0.22 0.00 -2.93 0.00 0.00 61.98 58.75 1cey s VAL 107 Cb -0.16 -2.92 0.08 0.00 -1.53 0.00 0.00 36.38 31.85 1cey s VAL 107 CO -0.14 0.55 1.15 -0.69 -3.33 0.00 0.00 175.10 172.64 1cey s VAL 108 N -0.34 4.26 0.78 2.04 1.01 -1.26 -2.64 120.40 124.25 1cey s VAL 108 Ca 0.07 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 1cey s VAL 108 Cb -0.12 -4.82 0.03 0.00 0.00 0.00 0.00 36.38 31.47 1cey s VAL 108 CO 0.02 -1.63 0.92 2.29 0.00 0.00 0.00 175.10 176.70 1cey n LYS 109 N 7.89 0.25 -1.54 2.72 2.85 0.60 -4.55 118.16 126.39 1cey n LYS 109 Ca 0.11 0.15 -0.29 0.00 -1.05 0.00 0.00 58.31 57.23 1cey n LYS 109 Cb 0.48 -2.19 0.12 0.00 -0.65 0.00 0.00 35.03 32.78 1cey n LYS 109 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1cey s PRO 110 N -3.57 1.56 0.14 -1.58 0.05 -1.26 -4.25 135.00 126.09 1cey s PRO 110 Ca 0.70 0.45 -0.08 0.00 0.05 0.00 0.00 61.00 62.12 1cey s PRO 110 Cb -0.31 -1.87 -0.01 0.00 0.05 0.00 0.00 34.50 32.36 1cey s PRO 110 CO 0.54 -1.94 0.23 -0.59 0.05 0.00 0.00 177.00 175.29 1cey s PHE 111 N -3.22 0.36 0.01 0.56 -0.12 -1.26 -5.08 117.98 109.22 1cey s PHE 111 Ca 0.62 -0.74 -0.01 0.00 -0.05 0.00 0.00 56.93 56.75 1cey s PHE 111 Cb -0.15 -0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.11 1cey s PHE 111 CO 0.54 -0.65 0.13 0.99 -0.05 0.00 0.00 175.22 176.19 1cey s THR 112 N -3.94 5.05 0.51 -4.49 2.01 -1.26 -4.88 115.64 108.64 1cey s THR 112 Ca 0.14 -0.36 0.34 0.00 0.31 0.00 0.00 61.69 62.12 1cey s THR 112 Cb 0.04 -3.36 0.54 0.00 0.01 0.00 0.00 72.50 69.73 1cey s THR 112 CO -0.03 0.29 1.77 0.00 -0.69 0.00 0.00 174.62 175.95 1cey h ALA 113 N 3.77 3.01 -0.32 7.40 0.00 -1.98 1.97 119.26 133.11 1cey h ALA 113 Ca -0.48 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.28 1cey h ALA 113 Cb 1.18 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1cey h ALA 113 CO 0.67 -1.40 -0.35 0.00 0.00 0.00 0.00 179.25 178.17 1cey h ALA 114 N 1.42 0.79 0.16 0.00 0.00 -1.97 0.18 119.26 119.83 1cey h ALA 114 Ca 0.62 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1cey h ALA 114 Cb 2.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1cey h ALA 114 CO -0.08 0.65 -0.07 1.15 0.00 0.00 0.00 179.25 180.89 1cey h THR 115 N 0.60 0.00 -1.02 0.00 2.02 0.27 0.13 112.91 114.91 1cey h THR 115 Ca 0.06 -0.12 0.34 0.00 0.77 0.00 0.00 66.41 67.46 1cey h THR 115 Cb 0.87 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.13 1cey h THR 115 CO 0.08 0.00 0.58 0.25 0.37 0.00 0.00 175.52 176.80 1cey h LEU 116 N -0.33 0.48 0.05 2.58 5.85 -1.12 0.41 115.31 123.23 1cey h LEU 116 Ca -0.02 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1cey h LEU 116 Cb 0.16 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1cey h LEU 116 CO 0.04 -0.17 -0.02 -0.08 -0.34 0.00 0.00 178.44 177.86 1cey h GLU 117 N 0.28 -0.06 -0.41 1.25 4.81 -0.52 -2.67 114.58 117.25 1cey h GLU 117 Ca 0.75 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 60.04 1cey h GLU 117 Cb 1.78 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 31.09 1cey h GLU 117 CO -0.61 0.07 -0.51 1.49 -0.73 0.00 0.00 179.01 178.73 1cey h GLU 118 N -0.19 -0.36 -1.01 1.92 4.81 0.26 0.43 114.58 120.45 1cey h GLU 118 Ca -0.01 0.02 0.24 0.00 -0.13 0.00 0.00 59.36 59.49 1cey h GLU 118 Cb 0.17 0.08 -0.11 0.00 0.63 0.00 0.00 28.75 29.52 1cey h GLU 118 CO 0.01 -0.24 0.62 -0.22 -0.73 0.00 0.00 179.01 178.45 1cey h LYS 119 N -0.37 0.54 -0.98 1.92 1.63 -1.38 0.34 116.57 118.27 1cey h LYS 119 Ca 0.10 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.88 1cey h LYS 119 Cb 0.60 -0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 32.06 1cey h LYS 119 CO -0.59 0.36 0.65 1.25 -3.45 0.00 0.00 179.45 177.66 1cey h LEU 120 N 0.55 1.11 -0.73 5.20 5.85 0.20 -1.51 115.31 125.98 1cey h LEU 120 Ca 0.62 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 59.18 1cey h LEU 120 Cb 1.26 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1cey h LEU 120 CO -0.40 0.80 -0.53 -1.13 -0.34 0.00 0.00 178.44 176.84 1cey h ASN 121 N 1.31 0.31 0.84 1.25 -1.24 0.44 -0.24 115.58 118.25 1cey h ASN 121 Ca 0.36 -0.16 -0.07 0.00 0.71 0.00 0.00 56.30 57.15 1cey h ASN 121 Cb -0.13 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 38.82 1cey h ASN 121 CO -0.08 0.78 -0.31 0.11 -1.29 0.00 0.00 177.43 176.64 1cey h LYS 122 N 0.22 0.00 0.06 6.67 1.57 -0.56 -2.75 116.57 121.78 1cey h LYS 122 Ca 0.01 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.46 1cey h LYS 122 Cb 1.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 1cey h LYS 122 CO 0.08 0.31 -1.84 -0.89 -0.57 0.00 0.00 179.45 176.55 1cey n ILE 123 N -3.51 1.70 1.68 1.86 5.41 -0.64 -3.89 119.36 121.97 1cey n ILE 123 Ca -0.00 -0.73 0.03 0.00 1.00 0.00 0.00 62.75 63.05 1cey n ILE 123 Cb 0.47 -1.38 0.13 0.00 -0.71 0.00 0.00 39.64 38.15 1cey n ILE 123 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1cey n PHE 124 N -3.26 0.13 0.17 1.39 3.01 -0.12 -3.09 117.46 115.69 1cey n PHE 124 Ca -0.24 -0.06 0.05 0.00 1.01 0.00 0.00 57.45 58.21 1cey n PHE 124 Cb 1.05 0.00 0.21 0.00 -0.01 0.00 0.00 39.48 40.73 1cey n PHE 124 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1cey h GLU 125 N 0.63 0.00 0.00 -1.08 4.57 -1.60 0.98 114.58 118.08 1cey h GLU 125 Ca 0.00 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.90 1cey h GLU 125 Cb 0.14 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.68 1cey h GLU 125 CO 0.00 0.42 -2.17 1.17 -1.18 0.00 0.00 179.01 177.25 1cey n LYS 126 N -3.37 0.67 0.15 1.92 3.00 -1.18 -4.12 118.16 115.23 1cey n LYS 126 Ca 0.01 0.01 0.07 0.00 -0.00 0.00 0.00 58.31 58.40 1cey n LYS 126 Cb 0.61 -1.57 0.06 0.00 0.00 0.00 0.00 35.03 34.12 1cey n LYS 126 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1cey h LEU 127 N 0.00 0.00 -3.22 3.14 5.85 -1.52 -3.49 115.31 116.07 1cey h LEU 127 Ca -0.40 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.17 1cey h LEU 127 Cb 1.96 0.00 0.01 0.00 0.37 0.00 0.00 40.66 43.00 1cey h LEU 127 CO 0.03 0.25 -1.04 0.61 -0.34 0.00 0.00 178.44 177.95 1cey n GLY 128 N 1.20 -0.50 0.64 3.75 0.00 0.34 -5.04 105.19 105.57 1cey n GLY 128 Ca 0.01 0.61 0.13 0.00 0.00 0.00 0.00 46.02 46.77 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35