#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cey s ASP 3 N 0.00 -0.67 0.00 0.00 1.11 -1.26 -4.84 116.67 111.00 1cey s ASP 3 Ca 0.00 0.90 0.14 0.00 0.18 0.00 0.00 52.55 53.77 1cey s ASP 3 Cb 0.00 0.78 0.44 0.00 1.07 0.00 0.00 42.92 45.21 1cey s ASP 3 CO 0.00 -0.51 1.35 0.29 1.18 0.00 0.00 175.17 177.48 1cey n LYS 4 N 1.40 1.84 -2.73 8.23 5.02 -1.26 -4.27 118.16 126.39 1cey n LYS 4 Ca -0.18 -1.30 -0.08 0.00 -2.02 0.00 0.00 58.31 54.73 1cey n LYS 4 Cb 0.56 -1.32 0.09 0.00 -0.02 0.00 0.00 35.03 34.34 1cey n LYS 4 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1cey n GLU 5 N 0.54 1.14 -2.58 1.97 1.02 -1.26 -2.57 120.64 118.91 1cey n GLU 5 Ca 0.14 -2.16 -0.42 0.00 -0.02 0.00 0.00 57.16 54.69 1cey n GLU 5 Cb 0.32 -0.54 -0.03 0.00 -0.02 0.00 0.00 31.44 31.17 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 -2.94 4.39 -0.30 -4.62 2.96 -1.26 -4.85 118.68 112.06 1cey s LEU 6 Ca 0.24 1.86 -0.28 0.00 -0.22 0.00 0.00 54.13 55.72 1cey s LEU 6 Cb 0.38 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.47 1cey s LEU 6 CO -0.06 -0.32 1.81 -0.54 -1.32 0.00 0.00 176.35 175.92 1cey s LYS 7 N 0.79 3.40 0.04 1.98 1.02 -1.26 -4.63 119.74 121.08 1cey s LYS 7 Ca 0.54 1.53 0.02 0.00 0.02 0.00 0.00 55.97 58.07 1cey s LYS 7 Cb -0.25 -4.19 -0.04 0.00 -0.52 0.00 0.00 37.83 32.83 1cey s LYS 7 CO 0.29 -1.78 0.07 -0.06 -0.92 0.00 0.00 175.35 172.95 1cey s PHE 8 N 6.72 3.21 -0.28 3.18 0.40 -1.07 -1.19 117.98 128.94 1cey s PHE 8 Ca 0.81 0.12 0.02 0.00 -0.60 0.00 0.00 56.93 57.27 1cey s PHE 8 Cb -0.24 -1.66 0.08 0.00 0.51 0.00 0.00 43.02 41.71 1cey s PHE 8 CO 0.34 0.52 0.00 -1.17 0.70 0.00 0.00 175.22 175.61 1cey s LEU 9 N -2.10 3.24 -0.42 -0.37 2.96 -0.69 -1.82 118.68 119.49 1cey s LEU 9 Ca 0.26 -1.58 -0.21 0.00 -0.22 0.00 0.00 54.13 52.39 1cey s LEU 9 Cb -0.12 -1.28 0.02 0.00 0.50 0.00 0.00 46.19 45.30 1cey s LEU 9 CO 0.18 -0.31 0.65 -0.69 -1.32 0.00 0.00 176.35 174.86 1cey s VAL 10 N 1.27 4.83 -0.34 1.68 1.01 -1.05 -1.79 120.40 126.01 1cey s VAL 10 Ca 0.02 0.25 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 1cey s VAL 10 Cb -0.19 -4.18 0.07 0.00 0.00 0.00 0.00 36.38 32.08 1cey s VAL 10 CO -0.10 -0.53 0.07 -0.69 0.00 0.00 0.00 175.10 173.84 1cey s VAL 11 N 2.82 3.13 -0.30 2.92 1.01 -1.07 -2.53 120.40 126.38 1cey s VAL 11 Ca 0.23 -1.57 -0.15 0.00 0.00 0.00 0.00 61.98 60.49 1cey s VAL 11 Cb -0.14 -2.91 0.17 0.00 0.00 0.00 0.00 36.38 33.50 1cey s VAL 11 CO 0.18 -0.29 1.05 -0.62 0.00 0.00 0.00 175.10 175.42 1cey s ASP 12 N 1.41 -0.47 0.20 3.32 2.15 -1.23 -3.11 116.67 118.96 1cey s ASP 12 Ca -0.01 0.53 -0.32 0.00 0.43 0.00 0.00 52.55 53.19 1cey s ASP 12 Cb -0.21 1.49 -0.15 0.00 -0.30 0.00 0.00 42.92 43.75 1cey s ASP 12 CO -0.02 -0.09 1.19 -0.67 -0.17 0.00 0.00 175.17 175.41 1cey n ASP 13 N 5.03 1.63 0.00 -0.34 2.03 -1.26 -4.85 116.55 118.80 1cey n ASP 13 Ca -0.08 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.38 1cey n ASP 13 Cb 0.53 -1.27 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 1cey n ASP 13 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1cey n PHE 14 N 1.38 0.00 -0.52 -0.67 -1.74 -1.26 -5.00 117.46 109.65 1cey n PHE 14 Ca 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.02 1cey n PHE 14 Cb 0.27 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.27 1cey n PHE 14 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 1cey n SER 15 N 0.00 0.00 0.17 5.98 3.41 -1.26 -5.01 113.62 116.91 1cey n SER 15 Ca 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 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 -4.97 114.28 120.37 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 0.07 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 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 -3.28 0.00 -0.20 1.09 0.00 -1.26 0.19 117.12 113.66 1cey n MET 17 Ca 0.00 0.65 0.30 0.00 -0.00 0.00 0.00 57.70 58.65 1cey n MET 17 Cb 0.00 -1.04 0.66 0.00 0.00 0.00 0.00 33.22 32.84 1cey n MET 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1cey h ARG 18 N 0.00 0.00 0.04 2.12 3.08 -1.95 1.52 114.38 119.20 1cey h ARG 18 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 1cey h ARG 18 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1cey h ARG 18 CO 0.00 0.00 -1.03 -0.09 -1.07 0.00 0.00 179.97 177.78 1cey h ARG 19 N 0.00 0.16 0.32 0.04 2.43 0.16 -2.71 114.38 114.78 1cey h ARG 19 Ca 0.46 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 1cey h ARG 19 Cb 2.27 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.90 1cey h ARG 19 CO -0.00 1.05 -0.15 0.82 -1.51 0.00 0.00 179.97 180.18 1cey h ILE 20 N 0.06 0.67 -0.98 1.20 2.04 0.54 -3.07 117.51 117.98 1cey h ILE 20 Ca -0.06 -0.59 0.09 0.00 1.00 0.00 0.00 64.86 65.29 1cey h ILE 20 Cb 1.74 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 38.70 1cey h ILE 20 CO 0.16 0.11 0.62 -0.37 0.00 0.00 0.00 178.15 178.66 1cey h VAL 21 N -0.77 1.01 -0.75 1.67 -1.51 -1.46 -2.17 116.25 112.27 1cey h VAL 21 Ca -0.04 -0.36 0.13 0.00 -1.23 0.00 0.00 66.70 65.19 1cey h VAL 21 Cb 0.51 -0.15 -0.13 0.00 -2.13 0.00 0.00 31.29 29.39 1cey h VAL 21 CO 0.07 0.19 -0.34 0.03 -1.23 0.00 0.00 177.57 176.29 1cey h ARG 22 N 1.06 -0.09 0.62 5.19 3.08 -1.38 0.17 114.38 123.03 1cey h ARG 22 Ca 0.45 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.48 1cey h ARG 22 Cb 0.31 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.38 1cey h ARG 22 CO -0.21 -0.06 -0.30 -0.97 -1.07 0.00 0.00 179.97 177.36 1cey h ASN 23 N -0.09 -0.70 -0.89 7.04 -0.00 -1.41 -1.92 115.58 117.61 1cey h ASN 23 Ca 0.29 -0.02 0.10 0.00 -0.00 0.00 0.00 56.30 56.67 1cey h ASN 23 Cb 0.57 0.18 -0.12 0.00 -0.00 0.00 0.00 38.32 38.95 1cey h ASN 23 CO -0.80 -0.41 -0.46 -0.11 -0.00 0.00 0.00 177.43 175.66 1cey n LEU 24 N -5.39 -0.80 0.10 0.34 0.00 -0.28 0.50 117.00 111.47 1cey n LEU 24 Ca -0.12 1.57 -0.12 0.00 0.00 0.00 0.00 56.01 57.33 1cey n LEU 24 Cb 0.35 -0.26 -0.06 0.00 0.00 0.00 0.00 43.42 43.45 1cey n LEU 24 CO 0.34 -1.33 0.77 -0.07 0.00 0.00 0.00 177.39 177.11 1cey h LEU 25 N 0.00 -0.38 -1.94 -1.96 3.38 -0.70 0.21 115.31 113.91 1cey h LEU 25 Ca 0.21 0.04 0.33 0.00 0.09 0.00 0.00 57.88 58.55 1cey h LEU 25 Cb 0.43 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1cey h LEU 25 CO -0.85 -0.21 0.82 0.50 0.09 0.00 0.00 178.44 178.79 1cey h LYS 26 N -0.30 0.03 -0.95 1.13 3.64 0.88 0.40 116.57 121.41 1cey h LYS 26 Ca 0.01 -0.00 0.23 0.00 -1.27 0.00 0.00 60.65 59.62 1cey h LYS 26 Cb 0.30 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 31.99 1cey h LYS 26 CO -0.06 0.02 0.49 1.49 -2.27 0.00 0.00 179.45 179.13 1cey h GLU 27 N 0.03 0.47 0.12 1.90 4.81 0.17 -2.51 114.58 119.58 1cey h GLU 27 Ca 0.56 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.75 1cey h GLU 27 Cb 2.16 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.43 1cey h GLU 27 CO -0.03 0.31 -0.06 1.25 -0.73 0.00 0.00 179.01 179.75 1cey h LEU 28 N 0.49 -0.14 0.00 1.64 6.46 -0.29 -3.48 115.31 119.99 1cey h LEU 28 Ca 0.60 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.37 1cey h LEU 28 Cb 1.15 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.11 1cey h LEU 28 CO -0.50 0.08 0.00 0.61 -0.62 0.00 0.00 178.44 178.01 1cey n GLY 29 N 1.10 0.00 3.85 3.75 0.00 -0.94 -5.09 105.19 107.85 1cey n GLY 29 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1cey n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cey s PHE 30 N 0.00 3.58 -0.41 1.61 0.08 -1.25 -4.04 117.98 117.55 1cey s PHE 30 Ca 0.00 1.06 0.09 0.00 0.12 0.00 0.00 56.93 58.20 1cey s PHE 30 Cb 0.00 -2.37 0.34 0.00 -0.57 0.00 0.00 43.02 40.42 1cey s PHE 30 CO 0.00 0.39 0.94 -1.71 -0.10 0.00 0.00 175.22 174.74 1cey n ASN 31 N 0.64 -0.76 -3.15 1.36 4.05 -1.06 -4.03 115.26 112.31 1cey n ASN 31 Ca -0.04 -3.33 0.05 0.00 0.45 0.00 0.00 54.58 51.71 1cey n ASN 31 Cb 0.52 0.66 -0.01 0.00 1.23 0.00 0.00 39.78 42.18 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1cey s ASN 32 N -1.86 -0.43 0.35 1.20 3.84 -1.26 -4.96 114.94 111.82 1cey s ASN 32 Ca 0.31 0.14 0.00 0.00 0.21 0.00 0.00 52.86 53.51 1cey s ASN 32 Cb 0.32 1.31 -0.00 0.00 -0.55 0.00 0.00 41.25 42.33 1cey s ASN 32 CO -0.06 -0.08 0.45 0.68 -2.79 0.00 0.00 177.10 175.30 1cey s VAL 33 N 2.96 0.00 0.00 -5.21 -7.23 -1.26 -2.61 120.40 107.04 1cey s VAL 33 Ca 0.14 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1cey s VAL 33 Cb -0.05 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.24 1cey s VAL 33 CO -0.18 0.00 0.00 -0.62 -0.31 0.00 0.00 175.10 173.99 1cey n GLU 34 N -0.60 0.08 -3.75 4.82 -0.58 -0.75 -4.94 120.64 114.91 1cey n GLU 34 Ca 0.02 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.63 1cey n GLU 34 Cb 0.61 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.39 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 -1.93 0.58 0.03 3.49 2.02 -1.26 -2.52 118.70 119.11 1cey s GLU 35 Ca 0.00 0.10 0.01 0.00 0.02 0.00 0.00 54.97 55.10 1cey s GLU 35 Cb 0.00 0.26 -0.00 0.00 0.10 0.00 0.00 34.13 34.49 1cey s GLU 35 CO 0.00 -0.13 0.03 0.00 0.02 0.00 0.00 175.26 175.18 1cey n ALA 36 N 1.93 0.07 -0.49 5.21 0.00 -1.05 -4.98 120.51 121.20 1cey n ALA 36 Ca -0.18 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1cey n ALA 36 Cb 0.57 0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.07 0.24 -3.52 0.00 4.71 -1.26 -3.50 120.64 117.25 1cey n GLU 37 Ca 0.01 -0.15 0.02 0.00 -0.01 0.00 0.00 57.16 57.02 1cey n GLU 37 Cb 0.06 -0.59 0.01 0.00 -1.01 0.00 0.00 31.44 29.92 1cey n GLU 37 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1cey n ASP 38 N -0.08 -1.00 -0.05 1.62 5.68 -1.26 -4.64 116.55 116.82 1cey n ASP 38 Ca 0.00 -1.26 -0.06 0.00 -0.50 0.00 0.00 54.79 52.97 1cey n ASP 38 Cb 0.12 1.56 0.14 0.00 -1.14 0.00 0.00 41.12 41.81 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 1.56 0.71 0.94 6.12 0.00 -1.89 -0.22 103.07 110.30 1cey h GLY 39 Ca -0.17 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.56 1cey h GLY 39 CO 0.25 0.53 0.15 -0.24 0.00 0.00 0.00 176.54 177.23 1cey h VAL 40 N 0.58 1.18 -0.45 4.60 3.04 -1.95 1.22 116.25 124.47 1cey h VAL 40 Ca 0.09 -0.54 -0.10 0.00 -1.01 0.00 0.00 66.70 65.14 1cey h VAL 40 Cb 0.67 0.87 -0.01 0.00 -2.01 0.00 0.00 31.29 30.81 1cey h VAL 40 CO 0.05 0.19 -0.11 -0.78 -1.01 0.00 0.00 177.57 175.91 1cey h ASP 41 N 0.43 0.87 1.01 3.17 1.82 -1.91 -2.35 116.42 119.47 1cey h ASP 41 Ca 0.12 -0.36 -0.04 0.00 -0.39 0.00 0.00 57.03 56.36 1cey h ASP 41 Cb 0.16 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.93 1cey h ASP 41 CO -0.01 1.03 -0.17 0.00 -1.61 0.00 0.00 179.24 178.48 1cey h ALA 42 N 0.87 1.01 -0.49 -0.78 0.00 -0.68 -2.54 119.26 116.64 1cey h ALA 42 Ca 0.11 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1cey h ALA 42 Cb 0.65 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1cey h ALA 42 CO 0.04 0.22 -0.08 1.25 0.00 0.00 0.00 179.25 180.68 1cey h LEU 43 N 0.00 0.92 -0.80 0.00 7.12 0.20 0.65 115.31 123.41 1cey h LEU 43 Ca -0.00 -0.34 -0.10 0.00 0.13 0.00 0.00 57.88 57.56 1cey h LEU 43 Cb 0.73 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.59 1cey h LEU 43 CO 0.02 1.05 -0.49 0.78 -0.13 0.00 0.00 178.44 179.67 1cey h ASN 44 N 0.78 0.00 0.21 1.25 2.35 -1.29 -3.28 115.58 115.60 1cey h ASN 44 Ca 0.13 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.53 1cey h ASN 44 Cb 0.62 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 1cey h ASN 44 CO 0.04 0.49 -1.91 0.11 -1.65 0.00 0.00 177.43 174.51 1cey h LYS 45 N 0.00 0.22 -0.35 0.81 1.79 -1.12 -3.30 116.57 114.61 1cey h LYS 45 Ca -0.00 -0.38 0.10 0.00 -2.18 0.00 0.00 60.65 58.19 1cey h LYS 45 Cb 1.02 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.80 1cey h LYS 45 CO 0.06 1.08 0.58 -0.07 -1.08 0.00 0.00 179.45 180.02 1cey h LEU 46 N 0.06 0.00 0.00 2.94 -0.00 0.25 0.92 115.31 119.48 1cey h LEU 46 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 1cey h LEU 46 Cb 2.04 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.70 1cey h LEU 46 CO 0.10 0.00 -1.15 1.67 -0.00 0.00 0.00 178.44 179.06 1cey n GLN 47 N -3.29 0.23 -0.30 1.13 -0.06 -1.25 -3.48 117.38 110.35 1cey n GLN 47 Ca 0.06 -0.04 -0.09 0.00 -2.00 0.00 0.00 57.00 54.94 1cey n GLN 47 Cb 0.72 -1.54 -0.08 0.00 -4.06 0.00 0.00 30.24 25.28 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1cey h ALA 48 N 2.64 -0.47 0.00 1.69 0.00 0.81 -3.34 119.26 120.59 1cey h ALA 48 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1cey h ALA 48 Cb 0.68 1.26 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1cey h ALA 48 CO 0.00 -0.79 0.00 0.41 0.00 0.00 0.00 179.25 178.87 1cey n GLY 49 N -1.21 -0.45 1.21 0.00 0.00 -1.26 -5.06 105.19 98.42 1cey n GLY 49 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.31 3.70 -0.02 0.00 -1.23 -4.95 105.19 102.38 1cey n GLY 50 Ca 0.00 -0.24 -0.44 0.00 0.00 0.00 0.00 46.02 45.34 1cey n GLY 50 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cey n TYR 51 N -0.53 2.54 1.75 1.61 4.02 -1.25 -4.83 117.16 120.46 1cey n TYR 51 Ca 0.00 0.20 0.10 0.00 -0.01 0.00 0.00 57.90 58.20 1cey n TYR 51 Cb 0.13 -2.59 0.53 0.00 -0.02 0.00 0.00 39.34 37.38 1cey n TYR 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1cey n GLY 52 N 3.24 -0.57 3.60 2.72 0.00 -1.00 -4.83 105.19 108.34 1cey n GLY 52 Ca 0.14 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.94 -0.42 -0.09 1.61 2.19 -0.33 -4.08 117.98 114.92 1cey s PHE 53 Ca 0.31 0.84 -0.04 0.00 0.33 0.00 0.00 56.93 58.38 1cey s PHE 53 Cb 0.15 0.42 0.05 0.00 -1.31 0.00 0.00 43.02 42.33 1cey s PHE 53 CO 0.25 -0.31 0.17 0.08 1.83 0.00 0.00 175.22 177.24 1cey s VAL 54 N -0.62 -0.25 -0.43 3.12 1.01 -1.07 -1.70 120.40 120.45 1cey s VAL 54 Ca -0.00 0.32 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 1cey s VAL 54 Cb -0.02 -0.31 0.09 0.00 0.00 0.00 0.00 36.38 36.14 1cey s VAL 54 CO -0.01 0.13 0.28 -0.63 0.00 0.00 0.00 175.10 174.87 1cey s ILE 55 N 2.16 4.24 0.28 2.22 1.01 -0.74 -1.97 121.20 128.40 1cey s ILE 55 Ca 0.01 -1.47 0.10 0.00 0.00 0.00 0.00 60.65 59.29 1cey s ILE 55 Cb -0.12 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 1cey s ILE 55 CO -0.06 -0.56 -0.02 -0.94 0.00 0.00 0.00 174.94 173.35 1cey s SER 56 N 2.23 4.34 0.00 3.58 1.04 -1.24 -2.59 113.70 121.07 1cey s SER 56 Ca 0.04 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1cey s SER 56 Cb -0.24 -0.70 0.00 0.00 0.10 0.00 0.00 66.02 65.18 1cey s SER 56 CO 0.02 -0.05 0.00 -0.90 0.98 0.00 0.00 173.24 173.29 1cey n ASP 57 N -0.88 0.00 -3.46 7.02 5.75 -1.18 0.75 116.55 124.55 1cey n ASP 57 Ca -0.06 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.55 1cey n ASP 57 Cb 0.60 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.61 1cey n ASP 57 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1cey s TRP 58 N 0.98 1.56 -1.24 2.11 -0.11 -1.25 -3.66 118.94 117.32 1cey s TRP 58 Ca 0.00 -1.56 -0.18 0.00 1.22 0.00 0.00 56.10 55.58 1cey s TRP 58 Cb 0.00 -0.59 -0.00 0.00 -1.50 0.00 0.00 33.47 31.38 1cey s TRP 58 CO 0.00 -0.88 1.96 0.09 -4.62 0.00 0.00 176.95 173.49 1cey n ASN 59 N -1.34 3.89 -0.09 5.86 4.13 -1.09 -4.65 115.26 121.97 1cey n ASN 59 Ca 0.06 -2.82 -0.19 0.00 1.68 0.00 0.00 54.58 53.31 1cey n ASN 59 Cb 0.63 -1.62 -0.12 0.00 -1.54 0.00 0.00 39.78 37.13 1cey n ASN 59 CO 0.00 0.00 0.00 0.24 0.28 0.00 0.00 177.26 177.78 1cey h MET 60 N 7.50 0.01 0.37 3.52 2.86 -1.97 -3.39 114.93 123.82 1cey h MET 60 Ca 0.44 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 58.06 1cey h MET 60 Cb 0.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1cey h MET 60 CO 1.64 1.00 -0.18 -1.00 1.06 0.00 0.00 176.91 179.43 1cey h PRO 61 N -0.98 -0.48 0.00 -0.22 0.14 -1.94 -3.49 132.00 125.03 1cey h PRO 61 Ca -0.22 0.03 0.00 0.00 0.14 0.00 0.00 66.00 65.95 1cey h PRO 61 Cb 1.20 0.11 0.00 0.00 0.14 0.00 0.00 31.00 32.45 1cey h PRO 61 CO -0.13 -0.17 0.00 0.27 0.14 0.00 0.00 178.00 178.11 1cey n ASN 62 N -5.18 0.00 -4.52 1.44 0.23 -1.26 -5.05 115.26 100.91 1cey n ASN 62 Ca -0.10 -0.23 -0.31 0.00 -0.53 0.00 0.00 54.58 53.41 1cey n ASN 62 Cb 0.28 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.85 1cey n ASN 62 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1cey n MET 63 N 0.00 0.32 -3.64 -3.83 2.81 -1.26 -4.70 117.12 106.83 1cey n MET 63 Ca 0.00 -0.12 -0.09 0.00 -1.81 0.00 0.00 57.70 55.67 1cey n MET 63 Cb 0.00 -2.16 -0.07 0.00 -0.71 0.00 0.00 33.22 30.28 1cey n MET 63 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1cey s ASP 64 N 7.95 -0.61 0.00 7.83 2.15 -1.26 -4.65 116.67 128.08 1cey s ASP 64 Ca 1.20 1.11 0.00 0.00 0.43 0.00 0.00 52.55 55.29 1cey s ASP 64 Cb -0.75 1.16 0.00 0.00 -0.30 0.00 0.00 42.92 43.04 1cey s ASP 64 CO 0.40 -0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.82 1cey n GLY 65 N 2.86 2.98 0.11 2.66 0.00 -1.26 -2.68 105.19 109.87 1cey n GLY 65 Ca -0.15 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 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 0.21 -2.50 0.99 5.85 -1.94 -2.81 115.31 115.10 1cey h LEU 66 Ca 0.00 -0.79 -0.00 0.00 0.84 0.00 0.00 57.88 57.93 1cey h LEU 66 Cb 0.00 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1cey h LEU 66 CO 0.00 1.46 -0.00 -0.33 -0.34 0.00 0.00 178.44 179.23 1cey h GLU 67 N -0.62 0.00 0.48 1.25 4.39 -1.89 -2.33 114.58 115.86 1cey h GLU 67 Ca -0.26 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.42 1cey h GLU 67 Cb 1.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.15 1cey h GLU 67 CO -0.02 0.00 -0.23 -0.07 -1.16 0.00 0.00 179.01 177.53 1cey h LEU 68 N 0.00 -0.55 -0.22 1.33 3.38 -1.88 -2.43 115.31 114.93 1cey h LEU 68 Ca -0.00 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1cey h LEU 68 Cb 0.17 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1cey h LEU 68 CO 0.00 -0.22 -0.30 0.25 0.09 0.00 0.00 178.44 178.26 1cey h LEU 69 N -1.00 -1.00 -0.91 1.67 6.46 -1.16 0.18 115.31 119.55 1cey h LEU 69 Ca -0.07 0.13 0.19 0.00 -0.12 0.00 0.00 57.88 58.01 1cey h LEU 69 Cb 0.50 0.41 -0.17 0.00 -0.73 0.00 0.00 40.66 40.67 1cey h LEU 69 CO 0.11 -0.22 -0.21 0.11 -0.62 0.00 0.00 178.44 177.62 1cey h LYS 70 N -0.21 0.00 -0.22 1.25 1.57 -1.54 1.53 116.57 118.96 1cey h LYS 70 Ca 0.04 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1cey h LYS 70 Cb 0.32 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1cey h LYS 70 CO -0.32 0.00 -0.09 1.79 -0.57 0.00 0.00 179.45 180.27 1cey h THR 71 N 0.00 1.18 -0.01 -0.16 1.35 -0.64 1.06 112.91 115.70 1cey h THR 71 Ca 0.44 -0.78 -0.17 0.00 -0.55 0.00 0.00 66.41 65.36 1cey h THR 71 Cb 0.70 1.12 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 1cey h THR 71 CO -0.93 0.25 -0.76 0.40 -0.25 0.00 0.00 175.52 174.23 1cey h ILE 72 N 0.32 1.50 0.00 6.82 2.04 0.47 -3.13 117.51 125.54 1cey h ILE 72 Ca 0.07 -2.49 -0.00 0.00 1.00 0.00 0.00 64.86 63.44 1cey h ILE 72 Cb 0.36 2.35 -0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1cey h ILE 72 CO 0.02 0.72 -1.01 -1.14 0.00 0.00 0.00 178.15 176.73 1cey n ARG 73 N -3.69 0.61 -0.31 2.37 0.00 0.21 -3.96 116.66 111.88 1cey n ARG 73 Ca -0.02 0.12 0.34 0.00 -0.00 0.00 0.00 57.85 58.30 1cey n ARG 73 Cb 0.73 -1.83 0.75 0.00 0.00 0.00 0.00 32.46 32.11 1cey n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1cey h ALA 74 N 2.00 3.09 -1.55 5.13 0.00 0.12 -3.36 119.26 124.69 1cey h ALA 74 Ca -0.00 -0.04 -0.48 0.00 0.00 0.00 0.00 54.91 54.39 1cey h ALA 74 Cb 1.00 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1cey h ALA 74 CO 0.00 -1.42 1.50 0.34 0.00 0.00 0.00 179.25 179.67 1cey s ASP 75 N -5.21 4.84 0.00 0.00 -1.08 -1.25 -4.80 116.67 109.16 1cey s ASP 75 Ca -0.05 0.73 -0.03 0.00 -0.52 0.00 0.00 52.55 52.68 1cey s ASP 75 Cb 0.23 -2.51 -0.14 0.00 -1.46 0.00 0.00 42.92 39.03 1cey s ASP 75 CO 0.80 -2.64 2.60 0.61 0.52 0.00 0.00 175.17 177.07 1cey n GLY 76 N 5.86 2.49 0.00 2.66 0.00 -1.26 -2.94 105.19 112.00 1cey n GLY 76 Ca 0.29 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 2.22 0.23 -0.10 4.61 0.00 -1.26 -5.01 120.51 121.21 1cey n ALA 77 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1cey n ALA 77 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1cey n ALA 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1cey n MET 78 N -0.41 0.00 -0.91 0.00 2.81 -1.15 -4.88 117.12 112.58 1cey n MET 78 Ca 0.00 0.07 -0.05 0.00 -1.81 0.00 0.00 57.70 55.91 1cey n MET 78 Cb 0.00 -0.53 -0.02 0.00 -0.71 0.00 0.00 33.22 31.96 1cey n MET 78 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1cey n SER 79 N -2.32 -2.20 -0.10 7.83 7.64 -1.24 -4.62 113.62 118.61 1cey n SER 79 Ca 0.00 0.12 -0.13 0.00 1.01 0.00 0.00 58.87 59.87 1cey n SER 79 Cb 0.00 -1.98 -0.09 0.00 -1.01 0.00 0.00 64.21 61.12 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cey n ALA 80 N 0.10 1.58 -0.93 -0.43 0.00 -1.26 -4.94 120.51 114.63 1cey n ALA 80 Ca -0.05 -0.85 -0.22 0.00 0.00 0.00 0.00 53.44 52.32 1cey n ALA 80 Cb 0.24 0.04 -0.11 0.00 0.00 0.00 0.00 19.45 19.62 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 -3.04 -0.13 -4.56 0.00 -0.00 -1.26 -4.71 117.00 103.29 1cey n LEU 81 Ca -0.34 -0.02 -0.39 0.00 -0.00 0.00 0.00 56.01 55.26 1cey n LEU 81 Cb 0.88 -0.50 -0.03 0.00 -0.00 0.00 0.00 43.42 43.77 1cey n LEU 81 CO 0.21 -0.57 1.74 -2.16 -0.00 0.00 0.00 177.39 176.60 1cey s PRO 82 N 5.23 2.63 -0.28 1.96 0.05 -1.26 -4.82 135.00 138.51 1cey s PRO 82 Ca 0.84 1.10 -0.07 0.00 0.05 0.00 0.00 61.00 62.91 1cey s PRO 82 Cb -0.71 -4.41 -0.00 0.00 0.05 0.00 0.00 34.50 29.43 1cey s PRO 82 CO 0.32 -2.70 0.08 0.08 0.05 0.00 0.00 177.00 174.83 1cey s VAL 83 N 9.59 4.07 -0.42 -0.36 1.01 -1.26 -2.61 120.40 130.42 1cey s VAL 83 Ca 0.81 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 62.13 1cey s VAL 83 Cb -0.17 -3.04 0.06 0.00 0.00 0.00 0.00 36.38 33.23 1cey s VAL 83 CO 0.26 0.15 0.27 -0.22 0.00 0.00 0.00 175.10 175.56 1cey s LEU 84 N 1.53 5.12 0.82 3.92 2.96 -0.83 -0.70 118.68 131.50 1cey s LEU 84 Ca 0.04 -1.30 -0.10 0.00 -0.22 0.00 0.00 54.13 52.54 1cey s LEU 84 Cb -0.17 -2.04 0.09 0.00 0.50 0.00 0.00 46.19 44.57 1cey s LEU 84 CO 0.03 -0.51 1.11 -0.32 -1.32 0.00 0.00 176.35 175.33 1cey s MET 85 N 1.52 1.83 0.01 1.98 -2.45 -1.03 -3.60 119.30 117.55 1cey s MET 85 Ca 0.03 1.24 0.01 0.00 -1.25 0.00 0.00 55.69 55.72 1cey s MET 85 Cb -0.22 -1.84 -0.01 0.00 1.25 0.00 0.00 34.83 34.01 1cey s MET 85 CO 0.05 -1.97 -0.04 0.08 1.05 0.00 0.00 175.02 174.18 1cey s VAL 86 N -2.83 0.31 0.09 10.11 1.01 0.23 -2.42 120.40 126.89 1cey s VAL 86 Ca 0.63 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.97 1cey s VAL 86 Cb -0.19 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 35.88 1cey s VAL 86 CO 0.57 -0.14 0.30 0.28 0.00 0.00 0.00 175.10 176.10 1cey s THR 87 N -0.65 0.10 0.00 3.92 -1.32 -1.06 -3.91 115.64 112.72 1cey s THR 87 Ca -0.05 -0.83 0.00 0.00 -1.21 0.00 0.00 61.69 59.60 1cey s THR 87 Cb -0.05 -1.17 0.00 0.00 -1.51 0.00 0.00 72.50 69.77 1cey s THR 87 CO -0.00 -0.46 0.00 0.00 -2.21 0.00 0.00 174.62 171.95 1cey n ALA 88 N 0.04 0.00 -1.53 11.08 0.00 -1.26 -0.32 120.51 128.53 1cey n ALA 88 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 1cey n ALA 88 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 1cey n ALA 88 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1cey n GLU 89 N -0.90 2.58 -1.66 0.00 0.28 -1.26 -4.40 120.64 115.29 1cey n GLU 89 Ca 0.00 -2.35 -0.61 0.00 -0.16 0.00 0.00 57.16 54.03 1cey n GLU 89 Cb 0.00 -3.14 -0.08 0.00 1.43 0.00 0.00 31.44 29.65 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1cey n ALA 90 N 6.16 -1.60 -2.57 -1.84 0.00 -1.26 -4.90 120.51 114.50 1cey n ALA 90 Ca 0.53 0.50 -0.41 0.00 0.00 0.00 0.00 53.44 54.06 1cey n ALA 90 Cb 0.37 -1.97 -0.11 0.00 0.00 0.00 0.00 19.45 17.75 1cey n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1cey s LYS 91 N 2.09 3.20 0.60 0.00 1.02 -1.26 -4.93 119.74 120.46 1cey s LYS 91 Ca 0.98 -0.85 0.30 0.00 0.02 0.00 0.00 55.97 56.42 1cey s LYS 91 Cb -1.28 -3.84 1.18 0.00 -0.52 0.00 0.00 37.83 33.37 1cey s LYS 91 CO 0.68 -0.59 1.51 0.87 -0.92 0.00 0.00 175.35 176.90 1cey h LYS 92 N 8.52 0.00 0.20 1.68 1.57 -1.99 0.88 116.57 127.44 1cey h LYS 92 Ca -0.29 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.18 1cey h LYS 92 Cb 1.14 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.47 1cey h LYS 92 CO 0.67 0.00 -1.38 0.93 -0.57 0.00 0.00 179.45 179.10 1cey h GLU 93 N 0.00 0.44 -0.00 3.15 5.08 -2.00 -3.30 114.58 117.95 1cey h GLU 93 Ca 0.46 -0.75 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1cey h GLU 93 Cb 2.50 0.28 0.00 0.00 0.50 0.00 0.00 28.75 32.02 1cey h GLU 93 CO -0.00 1.36 -0.49 0.09 -1.00 0.00 0.00 179.01 178.96 1cey n ASN 94 N -3.65 0.53 0.16 1.42 4.13 0.27 -3.80 115.26 114.32 1cey n ASN 94 Ca -0.13 -0.29 0.03 0.00 1.68 0.00 0.00 54.58 55.86 1cey n ASN 94 Cb 1.07 0.25 0.21 0.00 -1.54 0.00 0.00 39.78 39.77 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 0.07 1.07 -0.00 2.41 5.03 -0.62 -2.61 117.51 122.85 1cey h ILE 95 Ca 0.00 -1.93 0.00 0.00 -0.12 0.00 0.00 64.86 62.81 1cey h ILE 95 Cb 0.50 2.14 0.00 0.00 -3.03 0.00 0.00 36.82 36.43 1cey h ILE 95 CO 0.00 0.49 -0.30 -0.38 -0.68 0.00 0.00 178.15 177.28 1cey n ILE 96 N -3.52 0.00 0.01 -0.67 5.41 -1.25 -3.33 119.36 116.01 1cey n ILE 96 Ca -0.00 -0.02 -0.11 0.00 1.00 0.00 0.00 62.75 63.61 1cey n ILE 96 Cb 0.61 0.05 -0.09 0.00 -0.71 0.00 0.00 39.64 39.50 1cey n ILE 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1cey h ALA 97 N 3.18 -0.11 -0.10 -1.39 0.00 -1.60 0.67 119.26 119.91 1cey h ALA 97 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1cey h ALA 97 Cb 0.48 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1cey h ALA 97 CO 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 179.25 179.07 1cey h ALA 98 N -0.12 0.13 -0.13 0.00 0.00 -1.69 -1.85 119.26 115.60 1cey h ALA 98 Ca -0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1cey h ALA 98 Cb 0.60 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1cey h ALA 98 CO 0.02 -0.23 -0.11 0.00 0.00 0.00 0.00 179.25 178.93 1cey h ALA 99 N 0.80 1.58 -0.32 0.00 0.00 -1.64 0.65 119.26 120.33 1cey h ALA 99 Ca 0.03 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1cey h ALA 99 Cb 0.26 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1cey h ALA 99 CO 0.00 0.31 0.21 0.37 0.00 0.00 0.00 179.25 180.14 1cey h GLN 100 N 0.19 0.33 0.00 0.00 4.15 0.10 2.73 115.11 122.62 1cey h GLN 100 Ca 0.04 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.36 1cey h GLN 100 Cb 0.32 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1cey h GLN 100 CO 0.02 0.22 -0.37 0.00 -1.93 0.00 0.00 178.83 176.77 1cey h ALA 101 N 1.81 0.80 -4.88 3.38 0.00 0.30 -3.48 119.26 117.18 1cey h ALA 101 Ca 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1cey h ALA 101 Cb 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1cey h ALA 101 CO -0.03 0.46 -0.16 0.41 0.00 0.00 0.00 179.25 179.93 1cey n GLY 102 N 0.98 -1.11 0.00 0.00 0.00 0.91 -4.92 105.19 101.05 1cey n GLY 102 Ca 0.02 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 -1.11 0.00 -0.11 4.61 0.00 -1.25 -4.96 120.51 117.70 1cey n ALA 103 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.26 1cey n ALA 103 Cb 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 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 0.00 1.88 0.00 0.00 7.64 0.12 -4.81 113.62 118.44 1cey n SER 104 Ca 0.00 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1cey n SER 104 Cb 0.00 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1cey n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cey n GLY 105 N 1.41 -0.86 2.83 0.23 0.00 -1.25 -5.01 105.19 102.55 1cey n GLY 105 Ca -0.34 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.50 1cey n GLY 105 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1cey s TYR 106 N -3.00 0.93 -0.18 1.61 -0.85 -1.26 -2.47 117.35 112.12 1cey s TYR 106 Ca 0.00 -0.34 -0.02 0.00 -0.52 0.00 0.00 57.07 56.18 1cey s TYR 106 Cb 0.00 -0.91 -0.01 0.00 0.38 0.00 0.00 41.96 41.42 1cey s TYR 106 CO 0.00 -0.36 -0.09 0.54 -1.52 0.00 0.00 175.55 174.12 1cey s VAL 107 N 1.70 3.13 0.99 -3.49 0.11 -1.02 -5.01 120.40 116.81 1cey s VAL 107 Ca 0.02 -0.59 -0.16 0.00 -2.93 0.00 0.00 61.98 58.31 1cey s VAL 107 Cb -0.13 -2.38 0.25 0.00 -1.53 0.00 0.00 36.38 32.59 1cey s VAL 107 CO -0.05 0.47 0.70 0.55 -3.33 0.00 0.00 175.10 173.44 1cey n VAL 108 N 4.32 0.00 -3.61 2.04 3.14 -1.26 -2.56 118.33 120.41 1cey n VAL 108 Ca -0.18 -0.16 -0.11 0.00 -2.96 0.00 0.00 64.34 60.93 1cey n VAL 108 Cb 0.51 -0.92 -0.05 0.00 -1.06 0.00 0.00 33.84 32.33 1cey n VAL 108 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1cey s LYS 109 N -4.63 1.07 0.19 1.45 -2.85 0.57 -4.20 119.74 111.33 1cey s LYS 109 Ca 0.50 -0.59 -0.30 0.00 -1.00 0.00 0.00 55.97 54.58 1cey s LYS 109 Cb -0.07 0.48 -0.08 0.00 -2.06 0.00 0.00 37.83 36.10 1cey s LYS 109 CO 0.40 -0.42 1.06 -1.25 0.10 0.00 0.00 175.35 175.25 1cey s PRO 110 N -3.48 4.65 0.35 1.78 0.05 -1.26 -4.58 135.00 132.49 1cey s PRO 110 Ca 0.01 1.67 0.03 0.00 0.05 0.00 0.00 61.00 62.76 1cey s PRO 110 Cb 0.01 -3.28 -0.02 0.00 0.05 0.00 0.00 34.50 31.26 1cey s PRO 110 CO -0.10 0.17 0.52 -0.59 0.05 0.00 0.00 177.00 177.05 1cey s PHE 111 N -0.46 3.33 0.10 0.56 -0.12 -1.26 -5.09 117.98 115.04 1cey s PHE 111 Ca 0.47 0.11 -0.11 0.00 -0.05 0.00 0.00 56.93 57.35 1cey s PHE 111 Cb -0.29 -1.95 -0.06 0.00 -0.63 0.00 0.00 43.02 40.09 1cey s PHE 111 CO 0.35 0.04 0.45 0.99 -0.05 0.00 0.00 175.22 177.00 1cey s THR 112 N -2.27 5.01 0.48 -4.49 2.01 -1.26 -4.81 115.64 110.31 1cey s THR 112 Ca 0.42 0.59 0.30 0.00 0.31 0.00 0.00 61.69 63.31 1cey s THR 112 Cb -0.10 -3.68 0.50 0.00 0.01 0.00 0.00 72.50 69.23 1cey s THR 112 CO 0.34 0.28 1.75 0.00 -0.69 0.00 0.00 174.62 176.30 1cey h ALA 113 N 3.68 2.78 -0.05 7.40 0.00 -1.98 2.23 119.26 133.32 1cey h ALA 113 Ca -0.49 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 1cey h ALA 113 Cb 1.19 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1cey h ALA 113 CO 0.66 -1.20 -0.62 0.00 0.00 0.00 0.00 179.25 178.08 1cey h ALA 114 N 1.49 0.85 0.24 0.00 0.00 -1.98 -0.67 119.26 119.18 1cey h ALA 114 Ca 0.63 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1cey h ALA 114 Cb 2.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1cey h ALA 114 CO -0.17 0.75 -0.11 1.15 0.00 0.00 0.00 179.25 180.86 1cey h THR 115 N 0.14 0.00 -0.99 0.00 2.02 0.32 0.59 112.91 115.00 1cey h THR 115 Ca -0.01 -0.33 0.23 0.00 0.77 0.00 0.00 66.41 67.08 1cey h THR 115 Cb 1.13 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.42 1cey h THR 115 CO 0.09 0.00 0.58 0.25 0.37 0.00 0.00 175.52 176.81 1cey h LEU 116 N -0.64 0.66 0.78 2.58 6.46 -1.02 -0.73 115.31 123.40 1cey h LEU 116 Ca -0.03 0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 57.82 1cey h LEU 116 Cb 0.24 0.03 0.01 0.00 -0.73 0.00 0.00 40.66 40.21 1cey h LEU 116 CO 0.05 0.12 -0.37 -0.33 -0.62 0.00 0.00 178.44 177.29 1cey h GLU 117 N 0.60 -1.01 -1.29 1.25 5.08 -1.09 0.54 114.58 118.65 1cey h GLU 117 Ca 0.62 0.07 0.38 0.00 -1.00 0.00 0.00 59.36 59.43 1cey h GLU 117 Cb 1.15 0.23 -0.05 0.00 0.50 0.00 0.00 28.75 30.57 1cey h GLU 117 CO -0.46 -0.67 1.06 1.49 -1.00 0.00 0.00 179.01 179.42 1cey h GLU 118 N -1.05 0.00 0.10 2.33 4.81 0.63 1.02 114.58 122.42 1cey h GLU 118 Ca -0.11 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.78 1cey h GLU 118 Cb 0.80 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1cey h GLU 118 CO 0.18 0.00 -1.92 1.63 -0.73 0.00 0.00 179.01 178.16 1cey n LYS 119 N -3.84 0.73 0.18 1.92 4.76 -0.66 -3.79 118.16 117.47 1cey n LYS 119 Ca 0.28 0.27 -0.13 0.00 -2.87 0.00 0.00 58.31 55.86 1cey n LYS 119 Cb 1.46 -1.73 -0.08 0.00 -1.84 0.00 0.00 35.03 32.84 1cey n LYS 119 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1cey h LEU 120 N 0.06 -0.41 -0.42 -0.35 5.85 0.61 -2.61 115.31 118.03 1cey h LEU 120 Ca -0.39 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.27 1cey h LEU 120 Cb 2.03 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 43.07 1cey h LEU 120 CO 0.09 -0.04 -0.32 -0.55 -0.34 0.00 0.00 178.44 177.28 1cey h ASN 121 N -0.84 -1.06 -0.94 1.25 7.08 -0.48 0.16 115.58 120.75 1cey h ASN 121 Ca -0.05 0.19 0.15 0.00 -3.08 0.00 0.00 56.30 53.52 1cey h ASN 121 Cb 0.53 0.51 -0.08 0.00 -2.08 0.00 0.00 38.32 37.20 1cey h ASN 121 CO 0.08 -0.31 0.60 0.11 -2.08 0.00 0.00 177.43 175.83 1cey h LYS 122 N -0.24 0.72 -0.33 4.14 1.57 -1.65 -1.27 116.57 119.51 1cey h LYS 122 Ca 0.18 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.78 1cey h LYS 122 Cb 0.53 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1cey h LYS 122 CO -0.55 0.48 -0.33 0.82 -0.57 0.00 0.00 179.45 179.30 1cey h ILE 123 N 0.74 1.29 0.00 1.86 2.04 -0.34 -2.82 117.51 120.27 1cey h ILE 123 Ca 0.49 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1cey h ILE 123 Cb 0.76 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1cey h ILE 123 CO -0.25 0.49 0.00 0.49 0.00 0.00 0.00 178.15 178.88 1cey n PHE 124 N -4.18 0.00 0.28 1.37 3.72 -0.32 -2.12 117.46 116.21 1cey n PHE 124 Ca -0.03 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.52 1cey n PHE 124 Cb 0.50 -0.35 0.48 0.00 -0.94 0.00 0.00 39.48 39.18 1cey n PHE 124 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1cey h GLU 125 N 0.00 0.00 0.00 -1.08 4.39 -1.11 0.59 114.58 117.38 1cey h GLU 125 Ca 0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 1cey h GLU 125 Cb 0.23 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.83 1cey h GLU 125 CO 0.00 0.00 -2.11 1.63 -1.16 0.00 0.00 179.01 177.37 1cey n LYS 126 N -3.00 0.67 0.06 2.33 5.02 -0.90 -4.22 118.16 118.12 1cey n LYS 126 Ca 0.02 0.02 -0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1cey n LYS 126 Cb 0.38 -1.59 -0.06 0.00 -0.02 0.00 0.00 35.03 33.75 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 -3.17 -0.35 7.12 -1.39 -3.49 115.31 114.03 1cey h LEU 127 Ca -0.36 0.00 -0.16 0.00 0.13 0.00 0.00 57.88 57.49 1cey h LEU 127 Cb 1.89 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 42.03 1cey h LEU 127 CO 0.03 0.60 -1.03 0.61 -0.13 0.00 0.00 178.44 178.52 1cey n GLY 128 N 1.35 -0.60 0.61 3.75 0.00 0.20 -5.07 105.19 105.43 1cey n GLY 128 Ca -0.06 0.67 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 -0.13 0.00 0.00 0.00 173.32 173.19