#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 1.53 0.00 0.00 9.92 -1.26 -4.67 116.55 122.07 1cey n ASP 3 Ca 0.00 0.52 0.00 0.00 -0.53 0.00 0.00 54.79 54.78 1cey n ASP 3 Cb 0.00 -1.11 0.00 0.00 -0.64 0.00 0.00 41.12 39.37 1cey n ASP 3 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1cey n LYS 4 N 7.91 0.00 -2.74 -1.24 4.76 -1.26 -1.43 118.16 124.16 1cey n LYS 4 Ca 0.47 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.87 1cey n LYS 4 Cb 0.11 -1.12 0.05 0.00 -1.84 0.00 0.00 35.03 32.23 1cey n LYS 4 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1cey n GLU 5 N -0.53 1.40 -2.42 1.97 1.02 -1.26 -2.08 120.64 118.74 1cey n GLU 5 Ca 0.00 -3.20 -0.42 0.00 -0.02 0.00 0.00 57.16 53.52 1cey n GLU 5 Cb 0.00 -1.26 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 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 -3.46 3.52 -0.33 -4.62 2.96 -0.51 -4.84 118.68 111.39 1cey s LEU 6 Ca 0.26 0.52 -0.38 0.00 -0.22 0.00 0.00 54.13 54.31 1cey s LEU 6 Cb 0.40 -3.34 -0.14 0.00 0.50 0.00 0.00 46.19 43.61 1cey s LEU 6 CO -0.01 -1.51 2.02 0.29 -1.32 0.00 0.00 176.35 175.82 1cey n LYS 7 N 8.28 1.04 -4.07 1.98 5.02 -1.26 -4.77 118.16 124.38 1cey n LYS 7 Ca 0.14 0.33 -0.26 0.00 -2.02 0.00 0.00 58.31 56.50 1cey n LYS 7 Cb 0.49 -2.24 -0.05 0.00 -0.02 0.00 0.00 35.03 33.20 1cey n LYS 7 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1cey s PHE 8 N 5.77 3.19 -0.28 2.13 0.40 -0.43 -1.98 117.98 126.79 1cey s PHE 8 Ca 1.06 -0.01 -0.01 0.00 -0.60 0.00 0.00 56.93 57.38 1cey s PHE 8 Cb -0.99 -1.52 0.09 0.00 0.51 0.00 0.00 43.02 41.10 1cey s PHE 8 CO 0.57 0.52 0.06 -1.17 0.70 0.00 0.00 175.22 175.90 1cey s LEU 9 N -3.20 2.21 -0.48 -0.37 2.96 -0.72 -1.63 118.68 117.44 1cey s LEU 9 Ca 0.32 -1.44 -0.21 0.00 -0.22 0.00 0.00 54.13 52.57 1cey s LEU 9 Cb -0.10 -0.89 0.04 0.00 0.50 0.00 0.00 46.19 45.73 1cey s LEU 9 CO 0.24 -0.37 0.72 -0.69 -1.32 0.00 0.00 176.35 174.93 1cey s VAL 10 N 1.60 4.73 -0.39 1.68 1.01 -1.03 -1.40 120.40 126.59 1cey s VAL 10 Ca 0.06 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 1cey s VAL 10 Cb -0.18 -4.32 0.07 0.00 0.00 0.00 0.00 36.38 31.95 1cey s VAL 10 CO -0.18 -0.78 0.21 -0.69 0.00 0.00 0.00 175.10 173.65 1cey s VAL 11 N 3.06 4.05 0.00 2.92 1.01 -1.04 -2.47 120.40 127.93 1cey s VAL 11 Ca 0.23 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1cey s VAL 11 Cb -0.15 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1cey s VAL 11 CO 0.17 -0.42 0.00 0.47 0.00 0.00 0.00 175.10 175.33 1cey n ASP 12 N 4.87 0.00 0.00 3.32 9.92 -1.23 -4.20 116.55 129.23 1cey n ASP 12 Ca -0.10 -0.35 0.00 0.00 -0.53 0.00 0.00 54.79 53.81 1cey n ASP 12 Cb 0.43 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 1cey n ASP 12 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1cey n ASP 13 N -1.01 0.00 -4.93 -2.24 9.92 -1.26 -4.32 116.55 112.70 1cey n ASP 13 Ca 0.00 -1.00 -0.25 0.00 -0.53 0.00 0.00 54.79 53.01 1cey n ASP 13 Cb 0.00 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.51 1cey n ASP 13 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1cey s PHE 14 N 0.00 3.20 -2.03 1.24 2.19 -1.26 -4.98 117.98 116.34 1cey s PHE 14 Ca 0.00 0.45 0.20 0.00 0.33 0.00 0.00 56.93 57.92 1cey s PHE 14 Cb 0.00 -2.62 0.58 0.00 -1.31 0.00 0.00 43.02 39.67 1cey s PHE 14 CO 0.00 -0.70 1.48 0.45 1.83 0.00 0.00 175.22 178.28 1cey n SER 15 N -2.41 3.51 -0.01 6.13 2.88 -1.26 -4.22 113.62 118.24 1cey n SER 15 Ca 0.04 -2.00 0.00 0.00 -1.33 0.00 0.00 58.87 55.58 1cey n SER 15 Cb 0.58 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 1cey n SER 15 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1cey n THR 16 N 1.43 0.00 -0.09 2.46 5.66 -1.26 -4.89 114.28 117.59 1cey n THR 16 Ca 0.22 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.99 1cey n THR 16 Cb 0.56 0.51 -0.12 0.00 -1.55 0.00 0.00 70.33 69.73 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 0.00 0.62 0.25 1.09 0.00 -1.26 -3.70 117.12 114.12 1cey n MET 17 Ca 0.00 0.43 0.08 0.00 0.00 0.00 0.00 57.70 58.21 1cey n MET 17 Cb 0.50 -1.69 0.62 0.00 0.00 0.00 0.00 33.22 32.66 1cey n MET 17 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 175.97 176.04 1cey h ARG 18 N -0.70 0.00 0.16 2.12 0.11 -1.91 -2.83 114.38 111.33 1cey h ARG 18 Ca -0.44 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.63 1cey h ARG 18 Cb 1.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.64 1cey h ARG 18 CO -0.17 0.10 -0.08 -0.09 0.10 0.00 0.00 179.97 179.83 1cey h ARG 19 N 0.00 -0.21 -0.53 0.08 2.43 -1.91 -1.77 114.38 112.48 1cey h ARG 19 Ca -0.00 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1cey h ARG 19 Cb 0.18 0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 29.68 1cey h ARG 19 CO 0.01 0.17 -0.37 0.82 -1.51 0.00 0.00 179.97 179.09 1cey h ILE 20 N -0.64 0.15 -0.62 1.20 2.04 -1.58 -0.59 117.51 117.48 1cey h ILE 20 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1cey h ILE 20 Cb 0.47 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1cey h ILE 20 CO 0.04 0.00 0.35 -0.37 0.00 0.00 0.00 178.15 178.17 1cey h VAL 21 N -0.22 1.19 -0.48 1.67 -1.51 -1.56 -0.80 116.25 114.55 1cey h VAL 21 Ca 0.20 -0.48 0.09 0.00 -1.23 0.00 0.00 66.70 65.28 1cey h VAL 21 Cb 0.56 0.38 -0.10 0.00 -2.13 0.00 0.00 31.29 30.00 1cey h VAL 21 CO -0.64 0.21 -0.36 0.03 -1.23 0.00 0.00 177.57 175.58 1cey h ARG 22 N 0.84 -0.23 0.38 5.19 3.08 -0.18 0.15 114.38 123.62 1cey h ARG 22 Ca 0.22 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 1cey h ARG 22 Cb 0.03 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1cey h ARG 22 CO -0.04 -0.15 -0.18 -0.97 -1.07 0.00 0.00 179.97 177.56 1cey h ASN 23 N -0.24 -0.44 -0.99 7.04 -0.73 -1.28 -2.43 115.58 116.52 1cey h ASN 23 Ca 0.19 -0.11 0.14 0.00 1.87 0.00 0.00 56.30 58.38 1cey h ASN 23 Cb 0.55 0.11 -0.15 0.00 0.27 0.00 0.00 38.32 39.11 1cey h ASN 23 CO -0.61 -0.11 -0.42 -0.11 -0.37 0.00 0.00 177.43 175.81 1cey n LEU 24 N -5.21 -0.72 0.03 0.34 7.94 -0.32 0.07 117.00 119.14 1cey n LEU 24 Ca -0.10 1.73 -0.12 0.00 -1.11 0.00 0.00 56.01 56.41 1cey n LEU 24 Cb 0.28 -0.36 -0.07 0.00 0.53 0.00 0.00 43.42 43.80 1cey n LEU 24 CO 0.32 -1.52 0.87 -0.07 -1.11 0.00 0.00 177.39 175.88 1cey h LEU 25 N 0.00 0.01 -1.59 -1.96 3.38 -0.70 -1.22 115.31 113.23 1cey h LEU 25 Ca 0.31 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.49 1cey h LEU 25 Cb 0.55 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1cey h LEU 25 CO -0.97 0.01 0.60 0.50 0.09 0.00 0.00 178.44 178.67 1cey h LYS 26 N 0.02 0.32 -0.19 1.13 3.64 0.15 0.59 116.57 122.22 1cey h LYS 26 Ca 0.01 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1cey h LYS 26 Cb 0.00 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1cey h LYS 26 CO -0.00 0.21 0.14 1.49 -2.27 0.00 0.00 179.45 179.02 1cey h GLU 27 N 0.33 0.02 0.00 1.90 4.81 0.72 0.10 114.58 122.47 1cey h GLU 27 Ca 0.46 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 1cey h GLU 27 Cb 1.26 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1cey h GLU 27 CO -0.15 0.01 -0.51 1.28 -0.73 0.00 0.00 179.01 178.91 1cey n LEU 28 N -4.49 0.69 0.00 1.64 4.77 0.20 -4.95 117.00 114.87 1cey n LEU 28 Ca 0.01 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1cey n LEU 28 Cb 0.26 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1cey n LEU 28 CO 0.35 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1cey n GLY 29 N 1.35 0.72 3.28 -0.72 0.00 0.36 -4.90 105.19 105.27 1cey n GLY 29 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.36 2.69 -0.52 1.61 0.08 -1.22 -4.30 117.98 114.96 1cey s PHE 30 Ca 0.00 -0.90 0.07 0.00 0.12 0.00 0.00 56.93 56.22 1cey s PHE 30 Cb 0.00 -1.78 0.27 0.00 -0.57 0.00 0.00 43.02 40.93 1cey s PHE 30 CO 0.00 -0.35 0.69 0.27 -0.10 0.00 0.00 175.22 175.73 1cey n ASN 31 N 3.59 2.35 -2.97 1.36 0.23 -0.88 -4.22 115.26 114.72 1cey n ASN 31 Ca -0.19 -3.18 0.04 0.00 -0.53 0.00 0.00 54.58 50.72 1cey n ASN 31 Cb 0.53 -0.64 0.00 0.00 -2.08 0.00 0.00 39.78 37.59 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1cey s ASN 32 N -2.14 -0.40 -0.02 0.53 3.04 -1.26 -4.90 114.94 109.78 1cey s ASN 32 Ca 0.39 -0.08 -0.15 0.00 0.04 0.00 0.00 52.86 53.06 1cey s ASN 32 Cb 0.19 0.87 0.03 0.00 -1.54 0.00 0.00 41.25 40.80 1cey s ASN 32 CO -0.07 -0.06 0.33 0.54 -3.04 0.00 0.00 177.10 174.81 1cey s VAL 33 N 2.45 0.05 0.00 -5.21 0.11 -1.26 -1.31 120.40 115.23 1cey s VAL 33 Ca 0.21 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 1cey s VAL 33 Cb 0.01 -0.62 0.00 0.00 -1.53 0.00 0.00 36.38 34.23 1cey s VAL 33 CO -0.19 -0.23 0.00 -0.62 -3.33 0.00 0.00 175.10 170.73 1cey n GLU 34 N 1.39 1.99 -3.75 1.54 -0.58 -0.65 -4.95 120.64 115.63 1cey n GLU 34 Ca -0.21 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.42 1cey n GLU 34 Cb 0.56 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.36 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 -1.72 0.80 0.08 3.49 2.02 -1.26 -2.47 118.70 119.64 1cey s GLU 35 Ca 0.00 -0.48 0.02 0.00 0.02 0.00 0.00 54.97 54.53 1cey s GLU 35 Cb 0.00 0.35 -0.01 0.00 0.10 0.00 0.00 34.13 34.57 1cey s GLU 35 CO 0.00 -0.26 0.08 0.00 0.02 0.00 0.00 175.26 175.10 1cey n ALA 36 N 0.63 0.14 -1.50 5.21 0.00 -1.03 -4.95 120.51 119.00 1cey n ALA 36 Ca -0.19 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1cey n ALA 36 Cb 0.59 0.38 0.00 0.00 0.00 0.00 0.00 19.45 20.43 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 -0.15 0.09 0.00 0.00 -0.58 -1.26 -3.52 120.64 115.21 1cey n GLU 37 Ca 0.02 -0.83 0.00 0.00 -0.42 0.00 0.00 57.16 55.92 1cey n GLU 37 Cb 0.15 -0.54 0.00 0.00 -0.57 0.00 0.00 31.44 30.48 1cey n GLU 37 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1cey n ASP 38 N -0.05 0.00 -0.33 1.62 8.00 -1.26 -4.88 116.55 119.66 1cey n ASP 38 Ca 0.00 0.00 0.30 0.00 0.71 0.00 0.00 54.79 55.81 1cey n ASP 38 Cb 0.60 0.00 0.65 0.00 -0.02 0.00 0.00 41.12 42.35 1cey n ASP 38 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1cey h GLY 39 N 0.00 0.57 1.50 0.44 0.00 -1.96 1.48 103.07 105.10 1cey h GLY 39 Ca 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 47.33 47.11 1cey h GLY 39 CO 0.00 -0.08 -0.37 -2.08 0.00 0.00 0.00 176.54 174.01 1cey h VAL 40 N 0.17 1.29 -0.16 4.60 2.07 -1.99 0.19 116.25 122.43 1cey h VAL 40 Ca 0.59 -1.51 -0.09 0.00 0.82 0.00 0.00 66.70 66.51 1cey h VAL 40 Cb 1.96 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 33.23 1cey h VAL 40 CO -0.15 0.48 -0.25 -0.78 0.02 0.00 0.00 177.57 176.88 1cey h ASP 41 N 0.47 0.50 0.35 0.57 1.82 0.16 -2.68 116.42 117.61 1cey h ASP 41 Ca 0.05 -0.53 -0.02 0.00 -0.39 0.00 0.00 57.03 56.14 1cey h ASP 41 Cb 0.86 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.73 1cey h ASP 41 CO 0.07 0.94 -0.17 0.00 -1.61 0.00 0.00 179.24 178.47 1cey h ALA 42 N 0.58 -0.47 -0.90 -0.78 0.00 -0.65 -0.15 119.26 116.89 1cey h ALA 42 Ca 0.01 -0.15 0.23 0.00 0.00 0.00 0.00 54.91 55.01 1cey h ALA 42 Cb 0.83 0.18 -0.13 0.00 0.00 0.00 0.00 17.79 18.67 1cey h ALA 42 CO 0.06 -0.69 0.35 1.25 0.00 0.00 0.00 179.25 180.22 1cey h LEU 43 N -0.64 0.22 -0.45 0.00 6.46 -0.66 2.17 115.31 122.41 1cey h LEU 43 Ca -0.05 0.17 -0.17 0.00 -0.12 0.00 0.00 57.88 57.71 1cey h LEU 43 Cb 0.46 0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 1cey h LEU 43 CO 0.08 -0.08 -0.74 0.78 -0.62 0.00 0.00 178.44 177.86 1cey h ASN 44 N 0.32 0.31 0.38 1.25 2.35 -1.22 -3.07 115.58 115.90 1cey h ASN 44 Ca 0.57 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1cey h ASN 44 Cb 1.14 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.42 1cey h ASN 44 CO -0.58 0.94 -0.38 1.17 -1.65 0.00 0.00 177.43 176.93 1cey n LYS 45 N -3.78 0.39 0.10 0.81 4.81 0.12 -3.75 118.16 116.86 1cey n LYS 45 Ca -0.03 -0.22 0.10 0.00 -0.87 0.00 0.00 58.31 57.29 1cey n LYS 45 Cb 0.71 -1.50 0.45 0.00 0.02 0.00 0.00 35.03 34.72 1cey n LYS 45 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1cey n LEU 46 N -1.11 0.50 -0.20 3.14 7.99 0.69 -1.24 117.00 126.77 1cey n LEU 46 Ca 0.09 0.64 0.14 0.00 -0.01 0.00 0.00 56.01 56.87 1cey n LEU 46 Cb 0.34 -0.60 0.62 0.00 -0.11 0.00 0.00 43.42 43.67 1cey n LEU 46 CO 0.31 -0.56 0.88 0.00 -1.51 0.00 0.00 177.39 176.51 1cey n GLN 47 N -2.07 0.99 0.00 3.23 6.02 -1.25 -3.81 117.38 120.49 1cey n GLN 47 Ca 0.02 -0.40 0.00 0.00 -0.01 0.00 0.00 57.00 56.60 1cey n GLN 47 Cb 0.18 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.95 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 -0.65 -0.06 -1.33 -1.58 0.00 -0.38 -4.53 120.51 111.98 1cey n ALA 48 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1cey n ALA 48 Cb 0.28 0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.92 -1.67 0.91 0.00 0.00 -1.26 -5.07 105.19 97.19 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 -0.77 3.55 -0.02 0.00 -1.25 -4.89 105.19 101.81 1cey n GLY 50 Ca 0.00 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.38 1.22 0.03 1.61 2.02 -1.26 -4.73 117.35 115.86 1cey s TYR 51 Ca 0.00 1.37 0.09 0.00 -0.37 0.00 0.00 57.07 58.16 1cey s TYR 51 Cb 0.00 -3.71 0.47 0.00 -0.40 0.00 0.00 41.96 38.32 1cey s TYR 51 CO 0.00 -2.46 1.11 0.41 -1.57 0.00 0.00 175.55 173.04 1cey n GLY 52 N 5.94 -0.49 3.09 0.71 0.00 -1.18 -4.03 105.19 109.23 1cey n GLY 52 Ca 0.33 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.14 -0.58 -0.16 1.61 5.36 -0.84 -3.82 117.98 116.42 1cey s PHE 53 Ca -0.01 1.15 0.00 0.00 -0.96 0.00 0.00 56.93 57.11 1cey s PHE 53 Cb 0.02 0.08 0.00 0.00 -0.34 0.00 0.00 43.02 42.79 1cey s PHE 53 CO 0.08 -0.43 -0.15 0.08 -1.46 0.00 0.00 175.22 173.34 1cey s VAL 54 N 2.50 2.61 -0.19 3.12 1.01 -1.08 -1.76 120.40 126.60 1cey s VAL 54 Ca 0.01 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 1cey s VAL 54 Cb -0.12 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1cey s VAL 54 CO -0.11 0.51 0.01 -0.63 0.00 0.00 0.00 175.10 174.89 1cey s ILE 55 N 0.95 4.14 -0.02 2.22 1.01 -0.49 -2.36 121.20 126.65 1cey s ILE 55 Ca -0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 60.65 60.32 1cey s ILE 55 Cb -0.15 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.46 1cey s ILE 55 CO -0.02 0.44 0.11 -0.94 0.00 0.00 0.00 174.94 174.52 1cey s SER 56 N 0.83 -0.02 0.00 3.58 1.04 -1.26 -2.50 113.70 115.37 1cey s SER 56 Ca 0.01 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1cey s SER 56 Cb -0.14 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1cey s SER 56 CO 0.02 -0.20 0.00 0.47 0.98 0.00 0.00 173.24 174.51 1cey n ASP 57 N 2.22 0.00 0.08 7.02 9.92 -1.26 -2.05 116.55 132.48 1cey n ASP 57 Ca -0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.08 1cey n ASP 57 Cb 0.57 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.05 1cey n ASP 57 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 1cey n TRP 58 N 0.00 -3.07 -0.64 1.24 -0.00 -1.26 -3.38 117.44 110.33 1cey n TRP 58 Ca 0.00 0.56 0.00 0.00 -0.00 0.00 0.00 57.50 58.06 1cey n TRP 58 Cb 0.00 1.67 0.00 0.00 -0.00 0.00 0.00 31.31 32.98 1cey n TRP 58 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1cey n ASN 59 N -3.06 0.22 -0.07 5.87 2.04 -1.26 0.39 115.26 119.39 1cey n ASN 59 Ca 0.00 -0.88 -0.09 0.00 -0.44 0.00 0.00 54.58 53.17 1cey n ASN 59 Cb 0.00 0.04 -0.02 0.00 -2.53 0.00 0.00 39.78 37.26 1cey n ASN 59 CO 0.00 0.00 0.00 0.24 -0.44 0.00 0.00 177.26 177.06 1cey h MET 60 N 0.00 0.35 0.26 -3.83 2.86 -1.93 -3.30 114.93 109.34 1cey h MET 60 Ca 0.00 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1cey h MET 60 Cb 0.32 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1cey h MET 60 CO 0.00 0.24 -0.12 -1.00 1.06 0.00 0.00 176.91 177.09 1cey h PRO 61 N 0.36 -0.33 0.00 -0.22 0.14 -1.94 -3.48 132.00 126.52 1cey h PRO 61 Ca 0.10 0.02 0.00 0.00 0.14 0.00 0.00 66.00 66.26 1cey h PRO 61 Cb -0.03 0.08 0.00 0.00 0.14 0.00 0.00 31.00 31.18 1cey h PRO 61 CO -0.02 -0.22 0.00 0.09 0.14 0.00 0.00 178.00 177.99 1cey n ASN 62 N -3.24 0.24 0.00 1.44 3.02 -1.24 -4.98 115.26 110.49 1cey n ASN 62 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1cey n ASN 62 Cb 0.14 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 1cey n ASN 62 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1cey n MET 63 N 0.00 0.00 -3.82 3.52 2.81 -1.26 -4.52 117.12 113.85 1cey n MET 63 Ca 0.00 0.12 -0.13 0.00 -1.81 0.00 0.00 57.70 55.89 1cey n MET 63 Cb 0.00 -0.79 -0.13 0.00 -0.71 0.00 0.00 33.22 31.58 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 -2.42 -0.10 0.00 7.83 1.47 -1.26 -4.26 116.67 117.93 1cey s ASP 64 Ca 0.00 0.20 0.11 0.00 1.18 0.00 0.00 52.55 54.04 1cey s ASP 64 Cb 0.00 0.19 0.63 0.00 -0.34 0.00 0.00 42.92 43.39 1cey s ASP 64 CO 0.00 -0.05 1.19 0.61 0.68 0.00 0.00 175.17 177.60 1cey n GLY 65 N 3.21 -0.50 0.25 2.12 0.00 0.16 -2.98 105.19 107.44 1cey n GLY 65 Ca -0.15 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.10 -0.33 0.99 7.12 -1.95 0.17 115.31 121.41 1cey h LEU 66 Ca 0.00 0.11 -0.18 0.00 0.13 0.00 0.00 57.88 57.94 1cey h LEU 66 Cb 0.05 0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 40.32 1cey h LEU 66 CO 0.00 0.04 -0.56 -0.08 -0.13 0.00 0.00 178.44 177.70 1cey h GLU 67 N 0.33 0.81 -0.57 1.25 4.57 -1.96 -0.91 114.58 118.10 1cey h GLU 67 Ca 0.36 -0.52 0.16 0.00 -1.18 0.00 0.00 59.36 58.18 1cey h GLU 67 Cb 0.55 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 1cey h GLU 67 CO -0.41 1.15 0.44 1.25 -1.18 0.00 0.00 179.01 180.25 1cey h LEU 68 N 0.62 0.00 0.00 1.64 5.85 -0.94 -1.95 115.31 120.52 1cey h LEU 68 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1cey h LEU 68 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1cey h LEU 68 CO 0.12 0.00 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.92 1cey h LEU 69 N 0.00 0.00 -0.74 2.25 3.38 -0.51 -3.36 115.31 116.33 1cey h LEU 69 Ca 0.27 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.37 1cey h LEU 69 Cb 1.14 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.76 1cey h LEU 69 CO -0.00 0.40 -0.25 1.17 0.09 0.00 0.00 178.44 179.85 1cey n LYS 70 N -3.58 -0.13 -0.26 1.13 4.81 -0.38 0.24 118.16 120.00 1cey n LYS 70 Ca -0.03 1.15 0.06 0.00 -0.87 0.00 0.00 58.31 58.62 1cey n LYS 70 Cb 0.12 -1.71 0.19 0.00 0.02 0.00 0.00 35.03 33.65 1cey n LYS 70 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 1cey h THR 71 N 0.00 0.50 -0.10 3.15 1.35 -1.55 1.23 112.91 117.48 1cey h THR 71 Ca 0.30 -0.09 0.02 0.00 -0.55 0.00 0.00 66.41 66.08 1cey h THR 71 Cb 0.49 0.20 -0.00 0.00 -1.73 0.00 0.00 68.15 67.10 1cey h THR 71 CO -0.75 0.05 0.07 0.40 -0.25 0.00 0.00 175.52 175.04 1cey h ILE 72 N 0.27 0.98 0.00 6.82 2.04 0.30 -0.09 117.51 127.83 1cey h ILE 72 Ca 0.43 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 66.20 1cey h ILE 72 Cb 0.75 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1cey h ILE 72 CO -0.52 0.01 -0.62 -0.09 0.00 0.00 0.00 178.15 176.93 1cey h ARG 73 N 0.06 0.00 -1.08 2.37 2.43 0.19 -3.29 114.38 115.05 1cey h ARG 73 Ca 0.05 0.00 0.31 0.00 -0.81 0.00 0.00 59.98 59.53 1cey h ARG 73 Cb 0.11 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 1cey h ARG 73 CO -0.00 0.25 0.91 0.00 -1.51 0.00 0.00 179.97 179.62 1cey h ALA 74 N 1.70 2.96 -3.00 2.80 0.00 0.16 -3.38 119.26 120.49 1cey h ALA 74 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1cey h ALA 74 Cb 1.26 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1cey h ALA 74 CO 0.03 -1.47 0.00 -3.47 0.00 0.00 0.00 179.25 174.35 1cey n ASP 75 N -3.84 0.00 -1.60 0.00 2.03 -1.24 -5.01 116.55 106.89 1cey n ASP 75 Ca 0.23 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.50 1cey n ASP 75 Cb 1.26 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.67 1cey n ASP 75 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cey n GLY 76 N 0.34 0.97 0.00 0.27 0.00 -1.26 -4.93 105.19 100.59 1cey n GLY 76 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.56 0.57 -2.76 4.61 0.00 -1.26 -4.98 120.51 116.12 1cey n ALA 77 Ca -0.22 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.12 1cey n ALA 77 Cb 0.74 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.25 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 0.00 1.12 0.00 0.00 0.00 -1.26 -4.91 117.12 112.07 1cey n MET 78 Ca 0.00 -2.57 0.12 0.00 0.00 0.00 0.00 57.70 55.26 1cey n MET 78 Cb 0.35 -0.85 0.26 0.00 0.00 0.00 0.00 33.22 32.98 1cey n MET 78 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1cey n SER 79 N -0.14 1.20 -0.86 3.17 2.88 -1.26 -3.79 113.62 114.82 1cey n SER 79 Ca 0.07 -0.98 0.12 0.00 -1.33 0.00 0.00 58.87 56.75 1cey n SER 79 Cb 0.79 0.25 0.27 0.00 -0.75 0.00 0.00 64.21 64.77 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 -0.62 2.48 -1.45 -1.46 0.00 -1.26 -4.61 120.51 113.58 1cey n ALA 80 Ca 0.11 -0.72 -0.52 0.00 0.00 0.00 0.00 53.44 52.30 1cey n ALA 80 Cb 0.37 -0.95 -0.08 0.00 0.00 0.00 0.00 19.45 18.79 1cey n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cey n LEU 81 N 0.98 2.03 -4.76 0.00 7.99 -1.25 -4.85 117.00 117.13 1cey n LEU 81 Ca 0.17 0.53 -0.39 0.00 -0.01 0.00 0.00 56.01 56.31 1cey n LEU 81 Cb 0.50 -1.21 0.02 0.00 -0.11 0.00 0.00 43.42 42.62 1cey n LEU 81 CO 0.15 -0.68 1.01 -2.84 -1.51 0.00 0.00 177.39 173.52 1cey s PRO 82 N 5.85 3.57 -0.01 3.23 0.02 -1.25 -4.79 135.00 141.63 1cey s PRO 82 Ca 1.09 2.28 -0.00 0.00 0.02 0.00 0.00 61.00 64.38 1cey s PRO 82 Cb -0.95 -2.54 0.01 0.00 0.02 0.00 0.00 34.50 31.04 1cey s PRO 82 CO 0.53 -0.86 0.02 0.08 -0.33 0.00 0.00 177.00 176.44 1cey s VAL 83 N -1.27 -0.01 -0.78 3.83 1.01 -1.14 -2.65 120.40 119.39 1cey s VAL 83 Ca 0.64 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1cey s VAL 83 Cb -0.41 -0.04 0.23 0.00 0.00 0.00 0.00 36.38 36.16 1cey s VAL 83 CO 0.51 0.02 0.79 -0.11 0.00 0.00 0.00 175.10 176.31 1cey n LEU 84 N 3.31 4.03 -4.68 3.92 7.94 -1.00 0.10 117.00 130.63 1cey n LEU 84 Ca -0.15 -5.28 -0.42 0.00 -1.11 0.00 0.00 56.01 49.04 1cey n LEU 84 Cb 0.58 -0.88 -0.03 0.00 0.53 0.00 0.00 43.42 43.62 1cey n LEU 84 CO 0.25 1.81 1.36 -0.04 -1.11 0.00 0.00 177.39 179.66 1cey s MET 85 N -1.99 4.19 -0.06 1.96 -1.94 -0.08 -4.14 119.30 117.24 1cey s MET 85 Ca 0.32 2.29 0.00 0.00 -1.71 0.00 0.00 55.69 56.59 1cey s MET 85 Cb 0.03 -3.80 -0.03 0.00 2.01 0.00 0.00 34.83 33.04 1cey s MET 85 CO -0.07 -0.79 -0.04 0.14 -0.01 0.00 0.00 175.02 174.25 1cey s VAL 86 N 3.33 3.92 0.12 -6.03 -7.23 -0.87 -2.49 120.40 111.15 1cey s VAL 86 Ca 0.75 -0.46 -0.12 0.00 -1.81 0.00 0.00 61.98 60.34 1cey s VAL 86 Cb -0.37 -2.64 0.01 0.00 0.56 0.00 0.00 36.38 33.94 1cey s VAL 86 CO 0.32 0.55 0.30 0.28 -0.31 0.00 0.00 175.10 176.25 1cey s THR 87 N -0.88 0.10 -0.30 5.32 -1.32 -1.04 -4.20 115.64 113.31 1cey s THR 87 Ca 0.14 -0.96 0.10 0.00 -1.21 0.00 0.00 61.69 59.76 1cey s THR 87 Cb -0.11 -1.37 0.64 0.00 -1.51 0.00 0.00 72.50 70.15 1cey s THR 87 CO 0.03 -0.44 1.67 0.00 -2.21 0.00 0.00 174.62 173.67 1cey n ALA 88 N -0.16 4.34 0.08 11.08 0.00 -1.25 0.18 120.51 134.77 1cey n ALA 88 Ca -0.14 -2.60 0.00 0.00 0.00 0.00 0.00 53.44 50.71 1cey n ALA 88 Cb 0.63 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.58 0.00 -2.95 0.00 2.13 -1.26 -4.97 120.64 113.01 1cey n GLU 89 Ca 0.38 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.19 1cey n GLU 89 Cb 1.25 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.95 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 -3.01 -2.52 -1.00 4.31 0.00 -1.26 -4.95 120.51 112.08 1cey n ALA 90 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1cey n ALA 90 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 1.39 0.00 0.00 0.00 5.02 -1.26 -5.03 118.16 118.29 1cey n LYS 91 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 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 1.17 -0.52 0.00 0.00 177.40 178.05 1cey n LYS 92 N 0.00 0.00 -0.08 1.97 4.81 -1.26 -4.91 118.16 118.70 1cey n LYS 92 Ca 0.00 0.00 0.26 0.00 -0.87 0.00 0.00 58.31 57.70 1cey n LYS 92 Cb 0.00 0.00 0.70 0.00 0.02 0.00 0.00 35.03 35.75 1cey n LYS 92 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1cey h GLU 93 N 0.00 0.00 -0.56 1.64 4.81 -2.02 0.21 114.58 118.66 1cey h GLU 93 Ca 0.00 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.39 1cey h GLU 93 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1cey h GLU 93 CO 0.00 0.00 0.51 -0.97 -0.73 0.00 0.00 179.01 177.82 1cey h ASN 94 N 0.00 0.00 0.71 1.04 -0.00 -1.98 0.63 115.58 115.98 1cey h ASN 94 Ca 0.35 0.00 -0.10 0.00 -0.00 0.00 0.00 56.30 56.55 1cey h ASN 94 Cb 1.66 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.97 1cey h ASN 94 CO -0.00 0.00 -0.45 0.40 -0.00 0.00 0.00 177.43 177.37 1cey h ILE 95 N 0.00 1.11 0.04 2.57 2.04 -0.94 -3.05 117.51 119.28 1cey h ILE 95 Ca 0.27 -1.69 -0.00 0.00 1.00 0.00 0.00 64.86 64.44 1cey h ILE 95 Cb 1.29 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 1cey h ILE 95 CO -0.00 0.45 -0.02 0.40 0.00 0.00 0.00 178.15 178.97 1cey h ILE 96 N 0.00 1.35 -0.77 -0.67 2.04 0.12 -2.90 117.51 116.67 1cey h ILE 96 Ca -0.00 -1.54 0.18 0.00 1.00 0.00 0.00 64.86 64.50 1cey h ILE 96 Cb 0.93 2.32 -0.12 0.00 -0.74 0.00 0.00 36.82 39.21 1cey h ILE 96 CO 0.06 0.37 0.13 0.00 0.00 0.00 0.00 178.15 178.72 1cey h ALA 97 N 0.09 0.97 0.11 1.87 0.00 -1.51 0.62 119.26 121.40 1cey h ALA 97 Ca -0.01 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1cey h ALA 97 Cb 0.65 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1cey h ALA 97 CO 0.01 -0.40 -0.17 0.00 0.00 0.00 0.00 179.25 178.69 1cey h ALA 98 N 1.68 -0.30 -0.82 0.00 0.00 -1.56 -2.33 119.26 115.93 1cey h ALA 98 Ca 0.44 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.46 1cey h ALA 98 Cb 0.80 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.77 1cey h ALA 98 CO -0.59 -0.70 0.41 0.00 0.00 0.00 0.00 179.25 178.37 1cey h ALA 99 N 0.49 1.20 -0.90 0.00 0.00 -0.71 0.32 119.26 119.66 1cey h ALA 99 Ca 0.02 0.08 0.26 0.00 0.00 0.00 0.00 54.91 55.27 1cey h ALA 99 Cb 0.35 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1cey h ALA 99 CO -0.08 -0.09 0.77 1.96 0.00 0.00 0.00 179.25 181.80 1cey h GLN 100 N 0.61 0.00 0.00 0.00 4.20 -0.66 -3.36 115.11 115.90 1cey h GLN 100 Ca 0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.15 1cey h GLN 100 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1cey h GLN 100 CO -0.35 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.81 1cey n ALA 101 N -2.56 0.00 -0.03 3.87 0.00 0.11 -4.99 120.51 116.91 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 1.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.52 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 0.66 0.04 0.00 0.00 -1.22 -4.69 105.19 104.97 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 -0.67 1.28 -0.25 4.61 0.00 -1.17 -2.90 120.51 121.42 1cey n ALA 103 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.65 1cey n ALA 103 Cb 0.01 -0.88 0.34 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.38 0.08 -4.77 0.00 7.64 -1.26 -4.02 113.62 110.92 1cey n SER 104 Ca 0.00 0.64 -0.36 0.00 1.01 0.00 0.00 58.87 60.16 1cey n SER 104 Cb 0.00 -0.31 -0.07 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 -3.57 2.14 -0.09 0.23 0.00 0.28 -4.95 107.32 101.37 1cey s GLY 105 Ca -0.03 -0.58 -0.04 0.00 0.00 0.00 0.00 44.72 44.06 1cey s GLY 105 CO 0.40 0.11 0.21 -0.47 0.00 0.00 0.00 173.10 173.35 1cey s TYR 106 N -0.02 -0.27 -0.06 1.90 5.04 -1.26 -0.90 117.35 121.79 1cey s TYR 106 Ca 0.13 0.68 -0.00 0.00 -2.44 0.00 0.00 57.07 55.44 1cey s TYR 106 Cb -0.12 -0.02 0.02 0.00 0.35 0.00 0.00 41.96 42.20 1cey s TYR 106 CO 0.02 -0.22 -0.02 0.54 -1.34 0.00 0.00 175.55 174.53 1cey s VAL 107 N 1.34 0.48 -0.53 3.14 0.11 -1.04 -4.97 120.40 118.93 1cey s VAL 107 Ca -0.08 -0.02 -0.27 0.00 -2.93 0.00 0.00 61.98 58.68 1cey s VAL 107 Cb -0.11 -0.56 -0.01 0.00 -1.53 0.00 0.00 36.38 34.17 1cey s VAL 107 CO -0.08 0.24 1.72 0.54 -3.33 0.00 0.00 175.10 174.20 1cey s VAL 108 N 1.41 3.51 0.70 2.04 0.11 -1.26 -2.49 120.40 124.42 1cey s VAL 108 Ca -0.03 0.40 -0.13 0.00 -2.93 0.00 0.00 61.98 59.30 1cey s VAL 108 Cb -0.13 -4.00 0.02 0.00 -1.53 0.00 0.00 36.38 30.73 1cey s VAL 108 CO -0.03 -0.86 1.09 -1.59 -3.33 0.00 0.00 175.10 170.38 1cey s LYS 109 N 6.27 2.70 0.86 1.54 -2.85 0.46 -4.48 119.74 124.24 1cey s LYS 109 Ca 0.66 1.19 -0.12 0.00 -1.00 0.00 0.00 55.97 56.71 1cey s LYS 109 Cb -0.14 -1.95 0.11 0.00 -2.06 0.00 0.00 37.83 33.78 1cey s LYS 109 CO 0.25 -1.31 1.11 -1.25 0.10 0.00 0.00 175.35 174.26 1cey s PRO 110 N -4.59 1.59 0.06 1.78 0.05 -1.26 -3.92 135.00 128.72 1cey s PRO 110 Ca 0.62 0.52 -0.07 0.00 0.05 0.00 0.00 61.00 62.12 1cey s PRO 110 Cb -0.17 -1.87 -0.01 0.00 0.05 0.00 0.00 34.50 32.50 1cey s PRO 110 CO 0.49 -1.94 0.13 -0.59 0.05 0.00 0.00 177.00 175.15 1cey s PHE 111 N -3.18 0.21 0.05 0.56 -0.12 -1.26 -5.09 117.98 109.15 1cey s PHE 111 Ca 0.62 -0.60 -0.01 0.00 -0.05 0.00 0.00 56.93 56.89 1cey s PHE 111 Cb -0.15 -0.13 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 1cey s PHE 111 CO 0.54 -0.46 0.23 0.99 -0.05 0.00 0.00 175.22 176.47 1cey s THR 112 N -3.38 5.37 0.62 -4.49 2.01 -1.26 -4.88 115.64 109.63 1cey s THR 112 Ca 0.01 -0.27 0.22 0.00 0.31 0.00 0.00 61.69 61.97 1cey s THR 112 Cb 0.03 -3.61 0.29 0.00 0.01 0.00 0.00 72.50 69.22 1cey s THR 112 CO -0.08 0.18 1.52 0.00 -0.69 0.00 0.00 174.62 175.54 1cey h ALA 113 N 3.25 2.25 -0.29 7.40 0.00 -1.98 1.50 119.26 131.39 1cey h ALA 113 Ca -0.46 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 1cey h ALA 113 Cb 1.17 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1cey h ALA 113 CO 0.74 -1.05 -0.35 0.00 0.00 0.00 0.00 179.25 178.59 1cey h ALA 114 N 0.82 0.43 0.31 0.00 0.00 -1.97 0.19 119.26 119.04 1cey h ALA 114 Ca 0.22 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1cey h ALA 114 Cb 1.84 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1cey h ALA 114 CO -0.00 0.50 -0.15 1.79 0.00 0.00 0.00 179.25 181.39 1cey h THR 115 N 0.50 0.00 -1.09 0.00 1.35 0.17 0.11 112.91 113.95 1cey h THR 115 Ca 0.04 -0.17 0.30 0.00 -0.55 0.00 0.00 66.41 66.03 1cey h THR 115 Cb 0.93 0.00 -0.10 0.00 -1.73 0.00 0.00 68.15 67.25 1cey h THR 115 CO 0.08 0.00 0.70 0.25 -0.25 0.00 0.00 175.52 176.30 1cey h LEU 116 N -0.58 0.40 0.29 3.87 5.85 -1.50 -0.91 115.31 122.73 1cey h LEU 116 Ca -0.04 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1cey h LEU 116 Cb 0.32 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1cey h LEU 116 CO 0.07 0.03 -0.14 -0.08 -0.34 0.00 0.00 178.44 177.98 1cey h GLU 117 N 0.33 -0.38 -1.48 1.25 4.81 -0.42 0.19 114.58 118.88 1cey h GLU 117 Ca 0.64 0.03 0.43 0.00 -0.13 0.00 0.00 59.36 60.32 1cey h GLU 117 Cb 1.72 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 31.12 1cey h GLU 117 CO -0.32 -0.25 1.06 1.49 -0.73 0.00 0.00 179.01 180.26 1cey h GLU 118 N -0.49 0.00 0.00 1.92 4.22 -0.06 0.22 114.58 120.40 1cey h GLU 118 Ca -0.04 -0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.37 1cey h GLU 118 Cb 0.30 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1cey h GLU 118 CO 0.07 0.00 -0.17 0.87 -2.18 0.00 0.00 179.01 177.60 1cey h LYS 119 N 0.00 0.00 -0.10 1.92 1.79 -0.99 -2.61 116.57 116.58 1cey h LYS 119 Ca 0.70 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 59.16 1cey h LYS 119 Cb 2.81 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 33.46 1cey h LYS 119 CO -0.01 0.97 -0.01 1.25 -1.08 0.00 0.00 179.45 180.57 1cey h LEU 120 N -1.00 0.12 -0.19 2.94 6.46 0.15 -1.29 115.31 122.50 1cey h LEU 120 Ca -0.05 -0.01 -0.17 0.00 -0.12 0.00 0.00 57.88 57.54 1cey h LEU 120 Cb 1.01 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.89 1cey h LEU 120 CO -0.03 0.16 -0.80 0.78 -0.62 0.00 0.00 178.44 177.93 1cey h ASN 121 N 0.14 0.00 1.52 1.25 -0.26 -0.77 -2.73 115.58 114.73 1cey h ASN 121 Ca 0.03 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.72 1cey h ASN 121 Cb 0.11 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 1cey h ASN 121 CO 0.00 0.80 -0.26 0.50 -1.06 0.00 0.00 177.43 177.41 1cey h LYS 122 N 0.00 0.00 0.14 0.81 3.64 -0.87 -2.97 116.57 117.33 1cey h LYS 122 Ca -0.01 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.13 1cey h LYS 122 Cb 1.52 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.36 1cey h LYS 122 CO 0.10 0.26 -1.18 0.82 -2.27 0.00 0.00 179.45 177.19 1cey h ILE 123 N 0.00 1.26 0.00 2.00 2.04 -1.25 -3.23 117.51 118.32 1cey h ILE 123 Ca -0.00 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.36 1cey h ILE 123 Cb 1.09 2.96 0.00 0.00 -0.74 0.00 0.00 36.82 40.13 1cey h ILE 123 CO 0.03 0.73 0.00 0.49 0.00 0.00 0.00 178.15 179.40 1cey n PHE 124 N -3.98 0.00 0.28 1.37 3.72 -1.03 -2.03 117.46 115.79 1cey n PHE 124 Ca -0.19 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.38 1cey n PHE 124 Cb 0.90 -0.03 0.72 0.00 -0.94 0.00 0.00 39.48 40.13 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 0.00 -1.08 4.81 -1.54 1.10 114.58 117.88 1cey h GLU 125 Ca 0.00 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.92 1cey h GLU 125 Cb 0.02 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.34 1cey h GLU 125 CO 0.00 0.01 -2.26 1.63 -0.73 0.00 0.00 179.01 177.66 1cey n LYS 126 N -3.11 0.89 0.14 1.92 5.02 -0.86 -4.15 118.16 118.00 1cey n LYS 126 Ca 0.00 -0.03 0.13 0.00 -2.02 0.00 0.00 58.31 56.39 1cey n LYS 126 Cb 0.29 -1.48 0.31 0.00 -0.02 0.00 0.00 35.03 34.12 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 0.00 0.00 -2.74 -0.35 5.85 -1.33 -3.49 115.31 113.25 1cey h LEU 127 Ca -0.47 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1cey h LEU 127 Cb 2.06 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.08 1cey h LEU 127 CO 0.03 0.01 -0.99 0.61 -0.34 0.00 0.00 178.44 177.75 1cey n GLY 128 N 1.24 -2.21 0.19 3.75 0.00 0.38 -5.04 105.19 103.51 1cey n GLY 128 Ca 0.05 0.28 0.02 0.00 0.00 0.00 0.00 46.02 46.38 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35