#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 1.50 -1.57 0.00 2.03 -1.26 -4.78 116.55 112.47 1cey n ASP 3 Ca 0.00 1.12 -0.11 0.00 0.52 0.00 0.00 54.79 56.32 1cey n ASP 3 Cb 0.00 -1.14 0.07 0.00 -0.72 0.00 0.00 41.12 39.33 1cey n ASP 3 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1cey n LYS 4 N 2.77 1.56 -2.49 -0.67 2.85 -1.26 -3.68 118.16 117.24 1cey n LYS 4 Ca 0.20 -1.32 -0.01 0.00 -1.05 0.00 0.00 58.31 56.13 1cey n LYS 4 Cb 0.16 -1.52 0.06 0.00 -0.65 0.00 0.00 35.03 33.09 1cey n LYS 4 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1cey n GLU 5 N -0.16 1.29 -2.53 -1.58 1.02 -1.25 -3.37 120.64 114.07 1cey n GLU 5 Ca 0.26 -2.37 -0.39 0.00 -0.02 0.00 0.00 57.16 54.64 1cey n GLU 5 Cb 0.97 -0.58 -0.04 0.00 -0.02 0.00 0.00 31.44 31.77 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 -3.21 4.47 0.02 -4.62 2.96 -1.24 -4.84 118.68 112.22 1cey s LEU 6 Ca 0.20 2.17 -0.28 0.00 -0.22 0.00 0.00 54.13 56.00 1cey s LEU 6 Cb 0.35 -3.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 1cey s LEU 6 CO -0.08 -0.18 0.91 -0.54 -1.32 0.00 0.00 176.35 175.14 1cey s LYS 7 N -1.65 4.57 0.10 1.98 1.02 -1.26 -4.51 119.74 119.99 1cey s LYS 7 Ca 0.47 1.30 0.10 0.00 0.02 0.00 0.00 55.97 57.86 1cey s LYS 7 Cb -0.29 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.56 1cey s LYS 7 CO 0.37 0.07 -0.26 -0.06 -0.92 0.00 0.00 175.35 174.55 1cey s PHE 8 N 0.61 2.34 -0.23 3.18 0.40 -0.67 -1.03 117.98 122.58 1cey s PHE 8 Ca 0.47 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 56.44 1cey s PHE 8 Cb -0.21 -1.31 0.05 0.00 0.51 0.00 0.00 43.02 42.06 1cey s PHE 8 CO 0.26 0.28 -0.11 -1.17 0.70 0.00 0.00 175.22 175.18 1cey s LEU 9 N -1.80 2.89 -0.58 -0.37 2.96 -0.85 -1.74 118.68 119.19 1cey s LEU 9 Ca 0.14 -1.15 -0.16 0.00 -0.22 0.00 0.00 54.13 52.73 1cey s LEU 9 Cb -0.10 -1.42 0.13 0.00 0.50 0.00 0.00 46.19 45.30 1cey s LEU 9 CO 0.05 -0.16 0.57 -0.69 -1.32 0.00 0.00 176.35 174.80 1cey s VAL 10 N 1.23 5.18 -0.32 1.68 1.01 -1.07 0.72 120.40 128.84 1cey s VAL 10 Ca -0.05 -1.51 -0.16 0.00 0.00 0.00 0.00 61.98 60.26 1cey s VAL 10 Cb -0.18 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.80 1cey s VAL 10 CO -0.07 -0.94 0.43 -0.69 0.00 0.00 0.00 175.10 173.83 1cey s VAL 11 N 1.65 5.11 0.00 2.92 1.01 -0.44 -2.44 120.40 128.22 1cey s VAL 11 Ca 0.06 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1cey s VAL 11 Cb -0.27 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1cey s VAL 11 CO 0.02 -0.05 0.00 0.47 0.00 0.00 0.00 175.10 175.55 1cey n ASP 12 N 5.50 0.00 -2.36 3.32 8.00 -1.15 -3.72 116.55 126.14 1cey n ASP 12 Ca -0.07 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.23 1cey n ASP 12 Cb 0.50 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.47 1cey n ASP 12 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1cey n ASP 13 N 0.00 6.15 0.00 -2.24 -0.08 -1.26 -4.76 116.55 114.36 1cey n ASP 13 Ca 0.00 -2.63 0.00 0.00 -1.51 0.00 0.00 54.79 50.65 1cey n ASP 13 Cb 0.00 -1.42 0.00 0.00 2.34 0.00 0.00 41.12 42.04 1cey n ASP 13 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1cey n PHE 14 N 2.43 0.00 -0.53 -0.67 -1.74 -1.26 -4.57 117.46 111.11 1cey n PHE 14 Ca 0.51 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.40 1cey n PHE 14 Cb 0.72 -0.33 0.00 0.00 1.52 0.00 0.00 39.48 41.39 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 -2.51 -1.16 0.00 5.98 3.41 -1.26 -1.34 113.62 116.74 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 -2.38 0.00 0.00 -0.26 0.00 0.00 64.21 61.57 1cey n SER 15 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1cey n THR 16 N -1.64 0.00 -0.03 6.66 -2.24 -1.26 -5.08 114.28 110.70 1cey n THR 16 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1cey n THR 16 Cb 0.10 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.32 1cey n THR 16 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1cey n MET 17 N 0.00 0.16 -0.43 -0.78 0.00 -0.45 -4.02 117.12 111.60 1cey n MET 17 Ca 0.00 0.29 0.34 0.00 -0.00 0.00 0.00 57.70 58.32 1cey n MET 17 Cb 0.00 -1.02 0.53 0.00 0.00 0.00 0.00 33.22 32.73 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 -3.08 -0.01 0.02 2.12 1.85 -1.26 0.24 116.66 116.54 1cey n ARG 18 Ca -0.03 0.77 -0.18 0.00 -1.00 0.00 0.00 57.85 57.42 1cey n ARG 18 Cb 0.11 -1.69 -0.08 0.00 -1.05 0.00 0.00 32.46 29.75 1cey n ARG 18 CO 0.00 0.00 0.00 0.07 -0.01 0.00 0.00 177.63 177.69 1cey h ARG 19 N 0.00 0.68 0.23 2.89 -0.00 -1.96 -1.92 114.38 114.29 1cey h ARG 19 Ca 0.63 -0.65 -0.01 0.00 -0.00 0.00 0.00 59.98 59.94 1cey h ARG 19 Cb 2.37 0.17 0.00 0.00 -0.00 0.00 0.00 29.97 32.51 1cey h ARG 19 CO -0.11 1.25 -0.11 0.82 -0.00 0.00 0.00 179.97 181.83 1cey h ILE 20 N 0.42 0.84 -0.04 0.08 2.04 0.29 -2.99 117.51 118.15 1cey h ILE 20 Ca -0.09 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1cey h ILE 20 Cb 1.56 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1cey h ILE 20 CO 0.18 0.13 -0.06 -0.37 0.00 0.00 0.00 178.15 178.03 1cey h VAL 21 N -0.63 1.07 -0.30 1.67 -1.51 -1.57 -1.96 116.25 113.02 1cey h VAL 21 Ca -0.03 -0.31 0.07 0.00 -1.23 0.00 0.00 66.70 65.20 1cey h VAL 21 Cb 0.45 1.11 -0.08 0.00 -2.13 0.00 0.00 31.29 30.64 1cey h VAL 21 CO 0.05 0.09 -0.27 0.03 -1.23 0.00 0.00 177.57 176.24 1cey h ARG 22 N 0.06 -0.24 0.25 5.19 2.47 -1.19 0.75 114.38 121.67 1cey h ARG 22 Ca 0.01 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 1cey h ARG 22 Cb 0.15 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 1cey h ARG 22 CO 0.01 -0.16 -0.12 -0.97 0.56 0.00 0.00 179.97 179.29 1cey h ASN 23 N -0.25 -0.28 -0.96 7.04 -1.24 -1.51 -2.78 115.58 115.59 1cey h ASN 23 Ca 0.15 -0.18 0.21 0.00 0.71 0.00 0.00 56.30 57.19 1cey h ASN 23 Cb 0.49 0.07 -0.18 0.00 0.73 0.00 0.00 38.32 39.44 1cey h ASN 23 CO -0.45 0.22 -0.18 0.25 -1.29 0.00 0.00 177.43 175.99 1cey h LEU 24 N -0.99 -0.79 0.30 0.34 6.46 -1.22 0.72 115.31 120.13 1cey h LEU 24 Ca -0.03 0.28 -0.01 0.00 -0.12 0.00 0.00 57.88 57.99 1cey h LEU 24 Cb 0.45 0.57 0.00 0.00 -0.73 0.00 0.00 40.66 40.95 1cey h LEU 24 CO 0.06 -0.32 -0.15 -0.07 -0.62 0.00 0.00 178.44 177.34 1cey h LEU 25 N 0.00 -0.35 -2.01 2.25 3.38 -0.93 -2.11 115.31 115.54 1cey h LEU 25 Ca 0.49 -0.10 0.15 0.00 0.09 0.00 0.00 57.88 58.51 1cey h LEU 25 Cb 0.82 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1cey h LEU 25 CO -0.97 -0.10 0.40 0.50 0.09 0.00 0.00 178.44 178.36 1cey h LYS 26 N -0.59 0.00 -0.65 1.13 3.64 -0.27 0.14 116.57 119.98 1cey h LYS 26 Ca -0.04 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1cey h LYS 26 Cb 0.43 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 1cey h LYS 26 CO 0.07 0.00 0.43 1.49 -2.27 0.00 0.00 179.45 179.17 1cey h GLU 27 N 0.00 0.70 0.00 1.90 4.57 0.97 -3.17 114.58 119.55 1cey h GLU 27 Ca 0.24 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.35 1cey h GLU 27 Cb 1.05 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.47 1cey h GLU 27 CO -0.00 0.46 -0.35 -0.07 -1.18 0.00 0.00 179.01 177.87 1cey h LEU 28 N 0.72 0.00 0.00 1.64 3.38 -0.72 -3.49 115.31 116.84 1cey h LEU 28 Ca 0.27 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1cey h LEU 28 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1cey h LEU 28 CO -0.08 0.77 0.00 0.61 0.09 0.00 0.00 178.44 179.83 1cey n GLY 29 N 1.66 -1.41 3.25 0.83 0.00 -0.88 -5.10 105.19 103.54 1cey n GLY 29 Ca -0.08 0.58 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.41 -0.41 1.61 0.08 -1.22 -3.87 117.98 113.76 1cey s PHE 30 Ca 0.00 0.99 0.09 0.00 0.12 0.00 0.00 56.93 58.13 1cey s PHE 30 Cb 0.00 0.14 0.30 0.00 -0.57 0.00 0.00 43.02 42.89 1cey s PHE 30 CO 0.00 -0.20 0.77 -1.71 -0.10 0.00 0.00 175.22 173.97 1cey n ASN 31 N 3.00 -0.48 -3.04 1.36 2.85 -1.25 -4.17 115.26 113.53 1cey n ASN 31 Ca -0.14 -3.09 0.04 0.00 -0.11 0.00 0.00 54.58 51.28 1cey n ASN 31 Cb 0.57 0.20 0.00 0.00 1.24 0.00 0.00 39.78 41.79 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 -0.51 -0.03 1.20 3.84 -1.26 -5.01 114.94 111.41 1cey s ASN 32 Ca 0.34 -0.05 -0.15 0.00 0.21 0.00 0.00 52.86 53.21 1cey s ASN 32 Cb 0.27 1.09 0.03 0.00 -0.55 0.00 0.00 41.25 42.08 1cey s ASN 32 CO -0.11 -0.08 0.33 0.54 -2.79 0.00 0.00 177.10 174.99 1cey s VAL 33 N 2.60 0.05 0.00 -5.21 0.11 -1.26 -1.68 120.40 115.01 1cey s VAL 33 Ca 0.22 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 1cey s VAL 33 Cb -0.01 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.23 1cey s VAL 33 CO -0.20 -0.21 0.00 -0.62 -3.33 0.00 0.00 175.10 170.74 1cey n GLU 34 N 1.51 2.34 -3.75 1.54 1.02 -0.71 -4.96 120.64 117.63 1cey n GLU 34 Ca -0.20 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.84 1cey n GLU 34 Cb 0.56 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.92 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 -1.00 0.92 0.00 3.49 8.01 -1.26 -2.60 118.70 126.26 1cey s GLU 35 Ca 0.00 -0.75 0.00 0.00 0.01 0.00 0.00 54.97 54.23 1cey s GLU 35 Cb 0.00 0.39 0.00 0.00 -4.31 0.00 0.00 34.13 30.21 1cey s GLU 35 CO 0.00 -0.32 0.00 0.00 0.01 0.00 0.00 175.26 174.95 1cey n ALA 36 N 0.05 0.00 -1.54 5.21 0.00 -1.02 -4.93 120.51 118.28 1cey n ALA 36 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 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 -0.85 0.00 0.00 0.00 177.50 176.65 1cey n GLU 37 N 0.00 0.00 -3.64 0.00 0.28 -1.26 -2.92 120.64 113.09 1cey n GLU 37 Ca 0.00 -0.47 -0.02 0.00 -0.16 0.00 0.00 57.16 56.51 1cey n GLU 37 Cb 0.00 -0.35 -0.04 0.00 1.43 0.00 0.00 31.44 32.48 1cey n GLU 37 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1cey s ASP 38 N -0.24 -0.04 0.18 -1.84 2.15 -1.26 -4.78 116.67 110.85 1cey s ASP 38 Ca 0.00 0.04 -0.20 0.00 0.43 0.00 0.00 52.55 52.82 1cey s ASP 38 Cb 0.00 0.03 0.13 0.00 -0.30 0.00 0.00 42.92 42.78 1cey s ASP 38 CO 0.00 -0.04 1.60 1.23 -0.17 0.00 0.00 175.17 177.80 1cey h GLY 39 N 2.05 0.00 1.02 2.66 0.00 -1.95 1.30 103.07 108.15 1cey h GLY 39 Ca -0.07 0.35 0.13 0.00 0.00 0.00 0.00 47.33 47.73 1cey h GLY 39 CO 0.22 -0.22 0.37 -2.08 0.00 0.00 0.00 176.54 174.83 1cey h VAL 40 N -0.15 0.81 -0.13 4.60 2.07 -1.95 0.12 116.25 121.62 1cey h VAL 40 Ca 0.23 -0.06 -0.10 0.00 0.82 0.00 0.00 66.70 67.59 1cey h VAL 40 Cb 0.52 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1cey h VAL 40 CO -0.61 0.03 -0.31 -0.78 0.02 0.00 0.00 177.57 175.93 1cey h ASP 41 N 0.16 0.49 0.69 0.57 1.82 0.11 -2.81 116.42 117.45 1cey h ASP 41 Ca 0.25 -0.58 -0.03 0.00 -0.39 0.00 0.00 57.03 56.29 1cey h ASP 41 Cb 0.78 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.65 1cey h ASP 41 CO -0.04 0.98 -0.41 0.00 -1.61 0.00 0.00 179.24 178.16 1cey h ALA 42 N 0.53 -1.05 -0.92 -0.78 0.00 0.14 0.47 119.26 117.64 1cey h ALA 42 Ca -0.00 -0.21 0.25 0.00 0.00 0.00 0.00 54.91 54.94 1cey h ALA 42 Cb 0.91 0.49 -0.14 0.00 0.00 0.00 0.00 17.79 19.06 1cey h ALA 42 CO 0.07 -1.10 0.38 1.25 0.00 0.00 0.00 179.25 179.84 1cey h LEU 43 N -1.03 0.26 -0.09 0.00 7.12 -1.22 1.42 115.31 121.78 1cey h LEU 43 Ca -0.09 0.18 -0.22 0.00 0.13 0.00 0.00 57.88 57.88 1cey h LEU 43 Cb 0.82 0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 41.12 1cey h LEU 43 CO 0.10 -0.08 -1.01 0.78 -0.13 0.00 0.00 178.44 178.10 1cey h ASN 44 N 0.32 0.20 0.34 1.25 2.35 -1.16 -3.25 115.58 115.63 1cey h ASN 44 Ca 0.60 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 1cey h ASN 44 Cb 1.22 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.53 1cey h ASN 44 CO -0.59 1.08 -0.35 0.29 -1.65 0.00 0.00 177.43 176.21 1cey n LYS 45 N -3.52 0.50 0.14 0.81 4.76 0.16 -3.76 118.16 117.26 1cey n LYS 45 Ca -0.03 -0.29 0.13 0.00 -2.87 0.00 0.00 58.31 55.24 1cey n LYS 45 Cb 0.91 -1.49 0.39 0.00 -1.84 0.00 0.00 35.03 33.00 1cey n LYS 45 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1cey h LEU 46 N 0.71 0.00 0.00 -0.35 5.85 0.17 -2.81 115.31 118.88 1cey h LEU 46 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1cey h LEU 46 Cb 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1cey h LEU 46 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 1cey n GLN 47 N -2.47 0.89 -0.15 1.25 1.13 -1.25 -3.33 117.38 113.46 1cey n GLN 47 Ca 0.04 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.98 1cey n GLN 47 Cb 0.41 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 29.17 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 3.82 -0.71 0.00 -1.58 0.00 -1.74 -3.38 119.26 115.66 1cey h ALA 48 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1cey h ALA 48 Cb 0.02 1.11 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1cey h ALA 48 CO 0.00 -0.97 -0.06 0.41 0.00 0.00 0.00 179.25 178.63 1cey n GLY 49 N -1.33 0.57 1.03 0.00 0.00 -1.26 -5.09 105.19 99.12 1cey n GLY 49 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.11 3.80 -0.02 0.00 -1.21 -5.02 105.19 100.64 1cey n GLY 50 Ca 0.00 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 3.74 -1.50 1.61 1.51 -1.26 -4.94 117.35 116.52 1cey s TYR 51 Ca 0.00 1.44 0.22 0.00 -1.01 0.00 0.00 57.07 57.72 1cey s TYR 51 Cb 0.00 -2.64 -0.06 0.00 -0.11 0.00 0.00 41.96 39.15 1cey s TYR 51 CO 0.00 0.42 1.03 0.41 -1.11 0.00 0.00 175.55 176.30 1cey n GLY 52 N 1.09 -0.53 3.35 0.71 0.00 -1.19 -4.91 105.19 103.72 1cey n GLY 52 Ca -0.04 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.75 -0.56 -0.14 1.61 5.36 -0.20 -4.11 117.98 117.21 1cey s PHE 53 Ca 0.13 1.29 -0.01 0.00 -0.96 0.00 0.00 56.93 57.38 1cey s PHE 53 Cb 0.17 0.22 0.04 0.00 -0.34 0.00 0.00 43.02 43.11 1cey s PHE 53 CO 0.72 -0.28 -0.04 0.08 -1.46 0.00 0.00 175.22 174.24 1cey s VAL 54 N 0.61 0.85 -0.33 3.12 1.01 -1.07 -2.01 120.40 122.58 1cey s VAL 54 Ca -0.03 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 61.44 1cey s VAL 54 Cb -0.05 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 1cey s VAL 54 CO -0.04 0.17 0.32 -0.63 0.00 0.00 0.00 175.10 174.93 1cey s ILE 55 N 1.75 5.21 -0.02 2.22 1.01 0.22 -1.21 121.20 130.38 1cey s ILE 55 Ca 0.02 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.71 1cey s ILE 55 Cb -0.14 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.58 1cey s ILE 55 CO -0.07 -0.03 0.04 -0.94 0.00 0.00 0.00 174.94 173.94 1cey s SER 56 N 1.73 0.01 1.20 3.58 1.04 -1.25 -1.33 113.70 118.67 1cey s SER 56 Ca 0.10 0.07 -0.16 0.00 0.48 0.00 0.00 55.95 56.44 1cey s SER 56 Cb -0.17 0.01 0.24 0.00 0.10 0.00 0.00 66.02 66.20 1cey s SER 56 CO 0.11 -0.07 0.85 0.47 0.98 0.00 0.00 173.24 175.58 1cey n ASP 57 N 3.66 -1.86 -1.44 7.02 8.00 -1.24 -2.25 116.55 128.44 1cey n ASP 57 Ca -0.20 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.28 1cey n ASP 57 Cb 0.55 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 1cey n ASP 57 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1cey n TRP 58 N -4.34 0.00 -2.83 1.24 -0.00 -1.19 -4.72 117.44 105.60 1cey n TRP 58 Ca 0.12 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.38 1cey n TRP 58 Cb 0.46 0.00 0.02 0.00 -0.00 0.00 0.00 31.31 31.79 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 -1.63 5.73 0.00 5.87 2.47 -1.26 -4.54 114.94 121.58 1cey s ASN 59 Ca 0.00 0.34 0.00 0.00 0.42 0.00 0.00 52.86 53.62 1cey s ASN 59 Cb 0.00 -1.51 0.00 0.00 -1.45 0.00 0.00 41.25 38.29 1cey s ASN 59 CO 0.00 -0.82 0.00 0.23 -3.72 0.00 0.00 177.10 172.79 1cey n MET 60 N -2.21 0.00 0.00 0.43 2.81 -1.26 -5.05 117.12 111.85 1cey n MET 60 Ca 0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1cey n MET 60 Cb 0.58 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.09 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 0.00 0.00 -3.15 0.03 -0.05 -1.26 -4.95 135.00 125.62 1cey n PRO 61 Ca 0.00 0.13 0.05 0.00 -0.05 0.00 0.00 63.50 63.63 1cey n PRO 61 Cb 0.00 -1.01 -0.02 0.00 -0.05 0.00 0.00 33.50 32.42 1cey n PRO 61 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 1cey s ASN 62 N -1.88 -0.42 -0.24 3.54 2.20 -1.26 -5.04 114.94 111.84 1cey s ASN 62 Ca 0.00 0.24 -0.10 0.00 -0.94 0.00 0.00 52.86 52.06 1cey s ASN 62 Cb 0.00 1.34 0.01 0.00 -2.00 0.00 0.00 41.25 40.61 1cey s ASN 62 CO 0.00 -0.08 0.22 0.80 -2.94 0.00 0.00 177.10 175.10 1cey n MET 63 N 5.45 -1.85 -0.87 3.55 0.00 -1.26 -5.00 117.12 117.13 1cey n MET 63 Ca -0.06 1.69 0.00 0.00 -0.00 0.00 0.00 57.70 59.33 1cey n MET 63 Cb 0.54 -3.18 0.00 0.00 0.00 0.00 0.00 33.22 30.58 1cey n MET 63 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1cey n ASP 64 N 0.60 0.00 0.00 6.12 8.00 -1.26 -4.88 116.55 125.14 1cey n ASP 64 Ca 0.00 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.77 1cey n ASP 64 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1cey n ASP 64 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cey n GLY 65 N 0.00 0.03 0.00 0.44 0.00 -1.26 -3.71 105.19 100.69 1cey n GLY 65 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 0.00 -0.32 0.99 -0.00 -1.26 0.20 117.00 116.61 1cey n LEU 66 Ca 0.00 0.94 0.11 0.00 -0.00 0.00 0.00 56.01 57.07 1cey n LEU 66 Cb 0.00 -0.44 0.33 0.00 -0.00 0.00 0.00 43.42 43.31 1cey n LEU 66 CO 0.00 -0.44 1.22 -0.33 -0.00 0.00 0.00 177.39 177.83 1cey h GLU 67 N 0.00 0.76 -0.49 1.96 5.08 -1.92 0.15 114.58 120.12 1cey h GLU 67 Ca 0.00 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1cey h GLU 67 Cb 0.00 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.01 1cey h GLU 67 CO 0.00 0.51 0.13 1.25 -1.00 0.00 0.00 179.01 179.89 1cey h LEU 68 N 0.79 0.07 0.57 1.33 5.85 -1.72 -0.31 115.31 121.89 1cey h LEU 68 Ca 0.51 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 59.28 1cey h LEU 68 Cb 0.75 0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.88 1cey h LEU 68 CO -0.28 0.06 -0.28 0.25 -0.34 0.00 0.00 178.44 177.86 1cey h LEU 69 N 0.27 -0.65 -0.95 2.25 5.85 0.25 -3.06 115.31 119.28 1cey h LEU 69 Ca 0.24 0.02 0.26 0.00 0.84 0.00 0.00 57.88 59.25 1cey h LEU 69 Cb 0.30 0.17 -0.17 0.00 0.37 0.00 0.00 40.66 41.33 1cey h LEU 69 CO -0.29 -0.36 0.09 0.50 -0.34 0.00 0.00 178.44 178.04 1cey h LYS 70 N -1.00 0.05 -0.72 1.25 3.64 -0.93 0.91 116.57 119.78 1cey h LYS 70 Ca -0.08 -0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.41 1cey h LYS 70 Cb 0.59 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.32 1cey h LYS 70 CO 0.13 0.03 0.32 1.79 -2.27 0.00 0.00 179.45 179.46 1cey h THR 71 N 0.05 0.77 -0.80 1.00 1.35 -1.01 0.18 112.91 114.45 1cey h THR 71 Ca 0.59 -0.18 0.07 0.00 -0.55 0.00 0.00 66.41 66.33 1cey h THR 71 Cb 1.21 0.20 -0.05 0.00 -1.73 0.00 0.00 68.15 67.78 1cey h THR 71 CO -0.84 0.10 0.52 0.40 -0.25 0.00 0.00 175.52 175.45 1cey h ILE 72 N 0.53 1.03 -0.00 6.82 2.04 0.96 0.36 117.51 129.24 1cey h ILE 72 Ca 0.37 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1cey h ILE 72 Cb 0.47 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1cey h ILE 72 CO -0.32 0.16 -0.01 -1.14 0.00 0.00 0.00 178.15 176.84 1cey n ARG 73 N -4.49 0.81 -0.02 2.37 0.00 0.53 -3.24 116.66 112.61 1cey n ARG 73 Ca 0.12 -0.04 -0.06 0.00 -0.00 0.00 0.00 57.85 57.87 1cey n ARG 73 Cb 0.23 -1.50 -0.13 0.00 0.00 0.00 0.00 32.46 31.06 1cey n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1cey n ALA 74 N -1.06 1.66 0.07 5.13 0.00 0.12 -4.39 120.51 122.03 1cey n ALA 74 Ca 0.20 -0.82 -0.11 0.00 0.00 0.00 0.00 53.44 52.71 1cey n ALA 74 Cb 0.17 -0.73 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 1cey n ALA 74 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1cey h ASP 75 N 0.00 -1.04 0.00 0.00 3.58 -1.46 -3.46 116.42 114.04 1cey h ASP 75 Ca -0.30 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.26 1cey h ASP 75 Cb 1.92 0.38 0.00 0.00 1.72 0.00 0.00 39.33 43.35 1cey h ASP 75 CO 0.06 -0.36 0.00 0.61 -2.88 0.00 0.00 179.24 176.67 1cey n GLY 76 N -1.31 2.41 0.00 -0.78 0.00 -1.26 -4.99 105.19 99.26 1cey n GLY 76 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.07 -0.02 4.61 0.00 -1.26 -3.74 120.51 119.48 1cey n ALA 77 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1cey n ALA 77 Cb 0.00 0.21 -0.14 0.00 0.00 0.00 0.00 19.45 19.52 1cey n ALA 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1cey n MET 78 N -1.43 0.65 -0.72 0.00 1.56 -1.26 -4.90 117.12 111.02 1cey n MET 78 Ca 0.00 0.30 -0.03 0.00 -0.27 0.00 0.00 57.70 57.69 1cey n MET 78 Cb 0.00 -1.78 -0.01 0.00 2.15 0.00 0.00 33.22 33.57 1cey n MET 78 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1cey n SER 79 N -3.12 -2.34 0.00 6.12 2.88 -1.25 -4.36 113.62 111.56 1cey n SER 79 Ca -0.19 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1cey n SER 79 Cb 1.05 -1.91 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 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 0.24 0.93 -1.41 -1.46 0.00 -1.26 -4.99 120.51 112.55 1cey n ALA 80 Ca -0.03 -0.23 -0.54 0.00 0.00 0.00 0.00 53.44 52.64 1cey n ALA 80 Cb 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.60 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 0.00 1.78 -4.69 0.00 0.00 -1.26 -4.81 117.00 108.02 1cey n LEU 81 Ca 0.00 0.52 -0.43 0.00 0.00 0.00 0.00 56.01 56.10 1cey n LEU 81 Cb 0.48 -1.16 -0.03 0.00 0.00 0.00 0.00 43.42 42.71 1cey n LEU 81 CO 0.00 -0.73 1.44 -2.65 0.00 0.00 0.00 177.39 175.46 1cey n PRO 82 N 7.87 2.68 -4.25 1.96 -0.02 -1.26 -4.92 135.00 137.05 1cey n PRO 82 Ca 0.44 0.97 -0.34 0.00 -2.02 0.00 0.00 63.50 62.55 1cey n PRO 82 Cb 0.15 -2.85 -0.14 0.00 -0.02 0.00 0.00 33.50 30.65 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 2.55 3.30 -1.09 -1.45 1.01 -1.22 -2.60 120.40 120.89 1cey s VAL 83 Ca 0.82 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 62.19 1cey s VAL 83 Cb -0.52 -2.45 0.29 0.00 0.00 0.00 0.00 36.38 33.69 1cey s VAL 83 CO 0.38 0.47 1.20 -0.11 0.00 0.00 0.00 175.10 177.04 1cey n LEU 84 N 4.22 5.70 -4.67 3.92 7.94 -0.35 -0.20 117.00 133.57 1cey n LEU 84 Ca -0.18 -5.10 -0.34 0.00 -1.11 0.00 0.00 56.01 49.28 1cey n LEU 84 Cb 0.52 -1.40 0.12 0.00 0.53 0.00 0.00 43.42 43.19 1cey n LEU 84 CO 0.30 1.46 0.69 0.80 -1.11 0.00 0.00 177.39 179.54 1cey n MET 85 N 2.26 0.23 -4.21 1.96 1.56 0.30 -3.78 117.12 115.45 1cey n MET 85 Ca 0.24 0.15 -0.19 0.00 -0.27 0.00 0.00 57.70 57.63 1cey n MET 85 Cb 0.37 -2.38 -0.16 0.00 2.15 0.00 0.00 33.22 33.20 1cey n MET 85 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 1cey s VAL 86 N -2.07 0.56 0.26 1.12 1.01 -0.95 -2.08 120.40 118.24 1cey s VAL 86 Ca 0.73 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 1cey s VAL 86 Cb -0.30 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.54 1cey s VAL 86 CO 0.51 0.21 0.38 1.07 0.00 0.00 0.00 175.10 177.27 1cey n THR 87 N 3.72 0.00 -0.04 3.92 5.66 -1.03 -3.16 114.28 123.35 1cey n THR 87 Ca -0.22 -1.20 -0.08 0.00 -3.05 0.00 0.00 64.05 59.50 1cey n THR 87 Cb 0.53 0.78 -0.03 0.00 -1.55 0.00 0.00 70.33 70.05 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 -1.34 2.49 -0.00 1.79 0.00 -1.26 0.04 120.51 122.22 1cey n ALA 88 Ca -0.10 -0.29 -0.00 0.00 0.00 0.00 0.00 53.44 53.05 1cey n ALA 88 Cb 0.42 0.40 -0.00 0.00 0.00 0.00 0.00 19.45 20.27 1cey n ALA 88 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1cey h GLU 89 N -0.25 -0.00 -4.12 0.00 4.11 -1.99 -3.43 114.58 108.91 1cey h GLU 89 Ca -0.19 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.22 1cey h GLU 89 Cb 1.17 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.44 1cey h GLU 89 CO -0.11 -0.00 -0.08 0.00 0.07 0.00 0.00 179.01 178.89 1cey n ALA 90 N -2.02 -1.87 -1.00 1.06 0.00 -1.26 -5.03 120.51 110.39 1cey n ALA 90 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1cey n ALA 90 Cb 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.54 1.95 0.00 0.00 5.02 -1.26 -4.87 118.16 117.46 1cey n LYS 91 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1cey n LYS 91 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 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 0.03 1.97 5.02 -1.26 -4.16 118.16 119.77 1cey n LYS 92 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 1cey n LYS 92 Cb 0.00 -0.02 0.04 0.00 -0.02 0.00 0.00 35.03 35.03 1cey n LYS 92 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1cey n GLU 93 N -0.46 0.01 0.09 1.97 -0.00 -1.26 0.60 120.64 121.58 1cey n GLU 93 Ca 0.00 0.26 -0.13 0.00 -0.00 0.00 0.00 57.16 57.29 1cey n GLU 93 Cb 0.00 -1.88 -0.13 0.00 -0.00 0.00 0.00 31.44 29.43 1cey n GLU 93 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 1cey h ASN 94 N 0.00 0.29 0.65 -1.84 -0.73 -1.94 -3.01 115.58 109.00 1cey h ASN 94 Ca 0.00 -0.31 0.00 0.00 1.87 0.00 0.00 56.30 57.86 1cey h ASN 94 Cb 0.68 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.17 1cey h ASN 94 CO 0.00 1.24 -0.34 -0.38 -0.37 0.00 0.00 177.43 177.59 1cey n ILE 95 N -3.48 0.00 -0.04 2.57 5.41 0.20 -3.85 119.36 120.17 1cey n ILE 95 Ca -0.06 -0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.67 1cey n ILE 95 Cb 1.00 0.01 -0.01 0.00 -0.71 0.00 0.00 39.64 39.93 1cey n ILE 95 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1cey h ILE 96 N 0.02 0.00 -1.07 1.39 1.08 -1.52 -2.88 117.51 114.52 1cey h ILE 96 Ca 0.00 -0.68 0.35 0.00 -0.39 0.00 0.00 64.86 64.13 1cey h ILE 96 Cb 0.50 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.11 1cey h ILE 96 CO 0.00 0.00 0.63 0.00 -0.69 0.00 0.00 178.15 178.09 1cey h ALA 97 N -1.32 2.15 -0.03 1.87 0.00 -1.71 0.28 119.26 120.50 1cey h ALA 97 Ca 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1cey h ALA 97 Cb 0.25 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1cey h ALA 97 CO 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 179.25 178.45 1cey h ALA 98 N 1.79 0.05 -0.53 0.00 0.00 -1.72 -3.10 119.26 115.75 1cey h ALA 98 Ca 0.75 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 55.48 1cey h ALA 98 Cb 1.88 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.55 1cey h ALA 98 CO -0.55 -0.15 -0.20 0.00 0.00 0.00 0.00 179.25 178.35 1cey h ALA 99 N 0.49 0.21 0.00 0.00 0.00 -0.23 0.61 119.26 120.34 1cey h ALA 99 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1cey h ALA 99 Cb 0.58 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1cey h ALA 99 CO 0.01 -0.52 0.00 0.94 0.00 0.00 0.00 179.25 179.68 1cey n GLN 100 N -5.41 0.02 -0.07 0.00 -0.06 -0.85 -2.69 117.38 108.33 1cey n GLN 100 Ca 0.05 0.35 -0.13 0.00 -2.00 0.00 0.00 57.00 55.27 1cey n GLN 100 Cb 0.31 -1.55 -0.14 0.00 -4.06 0.00 0.00 30.24 24.80 1cey n GLN 100 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1cey n ALA 101 N -1.53 1.38 0.00 1.69 0.00 0.20 -4.97 120.51 117.28 1cey n ALA 101 Ca 0.02 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.46 1cey n ALA 101 Cb 0.12 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 1.84 0.27 0.07 0.00 0.00 -0.44 -4.42 105.19 102.52 1cey n GLY 102 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 1.21 -0.29 4.61 0.00 -0.85 -3.40 120.51 121.79 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 -0.84 0.36 0.00 0.00 0.00 0.00 19.45 18.97 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 0.04 -4.51 0.00 7.64 -1.26 -3.65 113.62 111.57 1cey n SER 104 Ca 0.00 0.54 -0.36 0.00 1.01 0.00 0.00 58.87 60.06 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 1.82 -0.04 0.23 0.00 0.72 -4.97 107.32 101.60 1cey s GLY 105 Ca -0.03 -1.01 -0.01 0.00 0.00 0.00 0.00 44.72 43.66 1cey s GLY 105 CO 0.41 0.40 0.08 -0.47 0.00 0.00 0.00 173.10 173.52 1cey s TYR 106 N 1.26 -0.05 -0.04 1.90 5.04 -1.24 0.11 117.35 124.32 1cey s TYR 106 Ca 0.05 0.30 0.01 0.00 -2.44 0.00 0.00 57.07 54.99 1cey s TYR 106 Cb -0.15 -0.20 0.02 0.00 0.35 0.00 0.00 41.96 41.99 1cey s TYR 106 CO 0.04 -0.14 -0.04 0.54 -1.34 0.00 0.00 175.55 174.61 1cey s VAL 107 N 1.26 0.47 0.00 3.14 0.11 -0.88 -4.96 120.40 119.54 1cey s VAL 107 Ca -0.07 -0.09 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 1cey s VAL 107 Cb -0.12 -0.51 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 1cey s VAL 107 CO -0.04 0.21 0.00 1.33 -3.33 0.00 0.00 175.10 173.27 1cey n VAL 108 N 4.07 0.00 -3.57 2.04 0.24 -1.26 -2.46 118.33 117.39 1cey n VAL 108 Ca -0.25 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 61.94 1cey n VAL 108 Cb 0.51 -0.01 -0.05 0.00 -1.47 0.00 0.00 33.84 32.81 1cey n VAL 108 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1cey s LYS 109 N -1.51 0.65 0.62 7.34 0.00 0.11 -4.37 119.74 122.58 1cey s LYS 109 Ca 0.00 0.12 -0.15 0.00 0.00 0.00 0.00 55.97 55.94 1cey s LYS 109 Cb 0.00 0.31 -0.03 0.00 0.00 0.00 0.00 37.83 38.11 1cey s LYS 109 CO 0.00 -0.21 1.07 -1.25 0.00 0.00 0.00 175.35 174.95 1cey s PRO 110 N -1.29 3.19 0.20 1.78 0.05 -1.26 -4.60 135.00 133.07 1cey s PRO 110 Ca -0.02 1.20 0.11 0.00 0.05 0.00 0.00 61.00 62.34 1cey s PRO 110 Cb -0.00 -2.01 -0.04 0.00 0.05 0.00 0.00 34.50 32.49 1cey s PRO 110 CO 0.01 -0.92 -0.22 -0.59 0.05 0.00 0.00 177.00 175.34 1cey s PHE 111 N -2.51 2.16 0.26 0.56 -0.12 -1.26 -5.08 117.98 111.99 1cey s PHE 111 Ca 0.63 -0.39 -0.10 0.00 -0.05 0.00 0.00 56.93 57.03 1cey s PHE 111 Cb -0.16 -1.04 -0.07 0.00 -0.63 0.00 0.00 43.02 41.11 1cey s PHE 111 CO 0.40 0.50 0.59 0.99 -0.05 0.00 0.00 175.22 177.65 1cey s THR 112 N -1.96 4.89 0.35 -4.49 2.01 -1.26 -4.77 115.64 110.41 1cey s THR 112 Ca 0.21 0.51 0.13 0.00 0.31 0.00 0.00 61.69 62.86 1cey s THR 112 Cb -0.07 -3.63 0.35 0.00 0.01 0.00 0.00 72.50 69.15 1cey s THR 112 CO 0.10 -0.14 1.75 0.00 -0.69 0.00 0.00 174.62 175.63 1cey h ALA 113 N 2.32 1.98 -0.24 7.40 0.00 -1.98 1.19 119.26 129.93 1cey h ALA 113 Ca -0.47 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1cey h ALA 113 Cb 1.17 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1cey h ALA 113 CO 0.68 -0.42 -0.32 0.00 0.00 0.00 0.00 179.25 179.19 1cey h ALA 114 N 1.68 1.01 0.29 0.00 0.00 -1.98 0.20 119.26 120.46 1cey h ALA 114 Ca 0.62 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1cey h ALA 114 Cb 1.33 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1cey h ALA 114 CO -0.39 0.59 -0.14 1.15 0.00 0.00 0.00 179.25 180.46 1cey h THR 115 N 0.42 0.00 -0.79 0.00 2.02 0.94 -0.68 112.91 114.83 1cey h THR 115 Ca 0.05 -0.19 0.18 0.00 0.77 0.00 0.00 66.41 67.23 1cey h THR 115 Cb 0.77 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.06 1cey h THR 115 CO 0.06 0.00 0.19 0.25 0.37 0.00 0.00 175.52 176.39 1cey h LEU 116 N -0.58 0.00 -0.04 2.58 6.46 -0.76 -0.45 115.31 122.52 1cey h LEU 116 Ca -0.04 0.16 0.04 0.00 -0.12 0.00 0.00 57.88 57.92 1cey h LEU 116 Cb 0.30 0.22 -0.06 0.00 -0.73 0.00 0.00 40.66 40.39 1cey h LEU 116 CO 0.07 -0.07 -0.36 -0.08 -0.62 0.00 0.00 178.44 177.37 1cey h GLU 117 N 0.25 -0.48 -1.00 1.25 4.81 -0.53 -0.07 114.58 118.82 1cey h GLU 117 Ca 0.46 0.03 0.29 0.00 -0.13 0.00 0.00 59.36 60.01 1cey h GLU 117 Cb 0.83 0.11 -0.14 0.00 0.63 0.00 0.00 28.75 30.18 1cey h GLU 117 CO -0.56 -0.32 0.57 1.49 -0.73 0.00 0.00 179.01 179.46 1cey h GLU 118 N -0.49 0.42 0.51 1.92 4.81 0.52 -1.06 114.58 121.20 1cey h GLU 118 Ca 0.07 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1cey h GLU 118 Cb 0.60 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1cey h GLU 118 CO -0.32 0.28 -0.24 0.87 -0.73 0.00 0.00 179.01 178.87 1cey h LYS 119 N 0.43 -0.65 -0.50 1.92 1.79 -0.69 -2.31 116.57 116.56 1cey h LYS 119 Ca 0.69 0.04 0.06 0.00 -2.18 0.00 0.00 60.65 59.27 1cey h LYS 119 Cb 1.46 0.15 -0.09 0.00 -1.58 0.00 0.00 32.23 32.17 1cey h LYS 119 CO -0.55 -0.44 -0.53 1.25 -1.08 0.00 0.00 179.45 178.11 1cey h LEU 120 N -1.13 -1.78 -1.29 2.94 5.85 -0.44 0.38 115.31 119.84 1cey h LEU 120 Ca -0.07 0.25 0.18 0.00 0.84 0.00 0.00 57.88 59.08 1cey h LEU 120 Cb 0.52 0.75 -0.08 0.00 0.37 0.00 0.00 40.66 42.23 1cey h LEU 120 CO 0.11 -0.37 0.60 -1.13 -0.34 0.00 0.00 178.44 177.31 1cey h ASN 121 N -0.32 0.60 -0.02 1.25 -1.24 -1.32 0.33 115.58 114.86 1cey h ASN 121 Ca 0.11 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.18 1cey h ASN 121 Cb 0.57 -0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.57 1cey h ASN 121 CO -0.65 0.26 0.01 0.50 -1.29 0.00 0.00 177.43 176.26 1cey h LYS 122 N 0.61 0.01 0.00 6.67 3.64 0.34 -1.94 116.57 125.90 1cey h LYS 122 Ca 0.50 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.72 1cey h LYS 122 Cb 0.95 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1cey h LYS 122 CO -0.25 0.01 -1.02 0.82 -2.27 0.00 0.00 179.45 176.75 1cey h ILE 123 N 0.01 0.62 0.00 2.00 2.04 0.19 -3.35 117.51 119.02 1cey h ILE 123 Ca 0.01 -1.80 0.00 0.00 1.00 0.00 0.00 64.86 64.07 1cey h ILE 123 Cb 0.01 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1cey h ILE 123 CO -0.00 0.21 0.06 0.49 0.00 0.00 0.00 178.15 178.91 1cey n PHE 124 N -4.49 0.00 0.11 1.37 3.01 -0.25 0.28 117.46 117.49 1cey n PHE 124 Ca -0.24 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.18 1cey n PHE 124 Cb 0.54 -0.44 0.11 0.00 -0.01 0.00 0.00 39.48 39.69 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 0.00 0.09 0.00 -1.08 4.22 -1.47 0.72 114.58 117.06 1cey h GLU 125 Ca 0.00 -0.08 -0.25 0.00 0.08 0.00 0.00 59.36 59.11 1cey h GLU 125 Cb 0.13 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1cey h GLU 125 CO 0.00 0.73 -1.70 1.17 -2.18 0.00 0.00 179.01 177.04 1cey n LYS 126 N -3.77 0.64 0.10 1.92 4.81 0.14 -3.91 118.16 118.08 1cey n LYS 126 Ca -0.02 0.22 -0.03 0.00 -0.87 0.00 0.00 58.31 57.61 1cey n LYS 126 Cb 0.67 -1.76 -0.02 0.00 0.02 0.00 0.00 35.03 33.93 1cey n LYS 126 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1cey h LEU 127 N 0.00 0.00 -3.18 3.14 5.85 -1.12 -3.49 115.31 116.51 1cey h LEU 127 Ca -0.27 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.34 1cey h LEU 127 Cb 1.87 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.90 1cey h LEU 127 CO 0.06 0.78 -1.03 0.61 -0.34 0.00 0.00 178.44 178.52 1cey n GLY 128 N 1.15 -0.64 0.49 3.75 0.00 0.25 -5.04 105.19 105.16 1cey n GLY 128 Ca 0.00 0.50 0.14 0.00 0.00 0.00 0.00 46.02 46.66 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35