#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 -8.98 -0.72 0.00 -0.08 -1.26 -4.64 116.55 100.87 1cey n ASP 3 Ca 0.00 1.27 0.06 0.00 -1.51 0.00 0.00 54.79 54.61 1cey n ASP 3 Cb 0.00 -4.73 0.17 0.00 2.34 0.00 0.00 41.12 38.90 1cey n ASP 3 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1cey n LYS 4 N 0.23 1.93 -2.68 -0.67 4.76 -1.26 -4.12 118.16 116.35 1cey n LYS 4 Ca 0.00 -1.37 -0.08 0.00 -2.87 0.00 0.00 58.31 53.99 1cey n LYS 4 Cb 0.00 -1.33 0.06 0.00 -1.84 0.00 0.00 35.03 31.92 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 0.59 1.16 -2.66 1.97 1.02 -1.26 -1.38 120.64 120.08 1cey n GLU 5 Ca 0.13 -2.79 -0.42 0.00 -0.02 0.00 0.00 57.16 54.06 1cey n GLU 5 Cb 0.34 -0.87 -0.03 0.00 -0.02 0.00 0.00 31.44 30.86 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 -3.13 4.42 -0.23 -4.62 2.96 -1.26 -4.70 118.68 112.12 1cey s LEU 6 Ca 0.26 1.79 -0.29 0.00 -0.22 0.00 0.00 54.13 55.67 1cey s LEU 6 Cb 0.44 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 43.55 1cey s LEU 6 CO -0.00 -0.23 1.20 -0.54 -1.32 0.00 0.00 176.35 175.45 1cey s LYS 7 N 0.59 4.15 -0.00 1.98 1.02 -1.26 -4.40 119.74 121.82 1cey s LYS 7 Ca 0.51 1.43 0.03 0.00 0.02 0.00 0.00 55.97 57.96 1cey s LYS 7 Cb -0.24 -3.76 -0.03 0.00 -0.52 0.00 0.00 37.83 33.28 1cey s LYS 7 CO 0.29 -0.80 -0.05 -0.06 -0.92 0.00 0.00 175.35 173.81 1cey s PHE 8 N 3.64 2.93 -0.33 3.18 0.40 -1.02 -1.05 117.98 125.73 1cey s PHE 8 Ca 0.51 -0.01 -0.02 0.00 -0.60 0.00 0.00 56.93 56.81 1cey s PHE 8 Cb -0.18 -1.63 0.06 0.00 0.51 0.00 0.00 43.02 41.78 1cey s PHE 8 CO 0.14 0.39 0.05 -1.17 0.70 0.00 0.00 175.22 175.33 1cey s LEU 9 N -1.39 4.23 -0.61 -0.37 2.96 -0.76 -1.86 118.68 120.88 1cey s LEU 9 Ca 0.17 -1.43 -0.21 0.00 -0.22 0.00 0.00 54.13 52.43 1cey s LEU 9 Cb -0.11 -1.75 0.07 0.00 0.50 0.00 0.00 46.19 44.90 1cey s LEU 9 CO 0.07 -0.33 0.86 -0.69 -1.32 0.00 0.00 176.35 174.95 1cey s VAL 10 N 1.24 4.52 -0.27 1.68 1.01 -1.04 -0.81 120.40 126.72 1cey s VAL 10 Ca -0.02 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 1cey s VAL 10 Cb -0.20 -4.57 -0.04 0.00 0.00 0.00 0.00 36.38 31.57 1cey s VAL 10 CO -0.01 -1.25 0.32 -0.69 0.00 0.00 0.00 175.10 173.46 1cey s VAL 11 N 3.55 5.21 -0.01 2.92 1.01 -1.04 -2.47 120.40 129.57 1cey s VAL 11 Ca 0.20 0.46 -0.25 0.00 0.00 0.00 0.00 61.98 62.39 1cey s VAL 11 Cb -0.18 -3.65 0.08 0.00 0.00 0.00 0.00 36.38 32.63 1cey s VAL 11 CO 0.11 0.18 1.13 -0.67 0.00 0.00 0.00 175.10 175.85 1cey n ASP 12 N 5.24 -1.09 -0.35 3.32 -0.08 -1.06 -2.78 116.55 119.76 1cey n ASP 12 Ca -0.10 -1.25 0.03 0.00 -1.51 0.00 0.00 54.79 51.96 1cey n ASP 12 Cb 0.51 1.70 0.08 0.00 2.34 0.00 0.00 41.12 45.75 1cey n ASP 12 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1cey n ASP 13 N -0.99 2.50 -4.72 1.67 5.75 -1.26 -3.96 116.55 115.54 1cey n ASP 13 Ca 0.04 -2.00 -0.30 0.00 -0.01 0.00 0.00 54.79 52.52 1cey n ASP 13 Cb 0.51 -0.13 0.13 0.00 -1.03 0.00 0.00 41.12 40.61 1cey n ASP 13 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1cey s PHE 14 N -1.00 2.33 -0.06 2.11 -0.12 -1.26 -4.95 117.98 115.04 1cey s PHE 14 Ca 0.13 1.32 0.21 0.00 -0.05 0.00 0.00 56.93 58.54 1cey s PHE 14 Cb 0.07 -3.14 0.42 0.00 -0.63 0.00 0.00 43.02 39.73 1cey s PHE 14 CO 0.09 -2.32 1.18 -1.13 -0.05 0.00 0.00 175.22 172.99 1cey n SER 15 N -3.84 1.20 0.21 1.98 3.41 -1.26 -4.80 113.62 110.52 1cey n SER 15 Ca 0.07 -2.56 0.00 0.00 -0.26 0.00 0.00 58.87 56.12 1cey n SER 15 Cb 0.55 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 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 0.01 0.00 -0.17 6.66 5.66 -1.26 -4.95 114.28 120.24 1cey n THR 16 Ca 0.10 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.99 1cey n THR 16 Cb 1.01 -0.14 -0.07 0.00 -1.55 0.00 0.00 70.33 69.58 1cey n THR 16 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 175.07 171.99 1cey h MET 17 N 0.00 -0.31 -1.13 1.09 1.85 -2.00 0.69 114.93 115.13 1cey h MET 17 Ca 0.00 0.02 0.36 0.00 -0.61 0.00 0.00 59.70 59.47 1cey h MET 17 Cb 0.00 0.07 -0.08 0.00 0.43 0.00 0.00 31.60 32.01 1cey h MET 17 CO 0.00 -0.20 0.76 2.89 -0.40 0.00 0.00 176.91 179.96 1cey n ARG 18 N -5.39 -0.02 -0.05 0.39 1.85 -1.26 0.23 116.66 112.42 1cey n ARG 18 Ca -0.01 0.85 -0.13 0.00 -1.00 0.00 0.00 57.85 57.56 1cey n ARG 18 Cb 0.34 -1.76 -0.08 0.00 -1.05 0.00 0.00 32.46 29.92 1cey n ARG 18 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1cey h ARG 19 N 0.00 0.32 0.32 2.89 2.43 0.03 -1.64 114.38 118.72 1cey h ARG 19 Ca 0.64 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 1cey h ARG 19 Cb 2.25 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 31.78 1cey h ARG 19 CO -0.22 0.74 -0.43 0.82 -1.51 0.00 0.00 179.97 179.37 1cey h ILE 20 N -0.07 0.14 -0.76 1.20 5.03 0.30 -2.20 117.51 121.15 1cey h ILE 20 Ca 0.02 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 64.84 1cey h ILE 20 Cb 0.69 0.14 -0.07 0.00 -3.03 0.00 0.00 36.82 34.55 1cey h ILE 20 CO 0.04 0.00 0.41 -0.37 -0.68 0.00 0.00 178.15 177.55 1cey h VAL 21 N -0.80 0.90 -0.54 1.67 -1.51 -1.54 -0.44 116.25 113.99 1cey h VAL 21 Ca -0.02 -0.24 0.10 0.00 -1.23 0.00 0.00 66.70 65.31 1cey h VAL 21 Cb 0.74 0.13 -0.11 0.00 -2.13 0.00 0.00 31.29 29.92 1cey h VAL 21 CO -0.13 0.13 -0.30 0.03 -1.23 0.00 0.00 177.57 176.07 1cey h ARG 22 N 0.71 -0.15 0.56 5.19 3.08 -0.68 0.69 114.38 123.77 1cey h ARG 22 Ca 0.36 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.39 1cey h ARG 22 Cb 0.32 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.41 1cey h ARG 22 CO -0.24 -0.10 -0.27 -0.97 -1.07 0.00 0.00 179.97 177.32 1cey h ASN 23 N -0.16 -0.63 -0.92 7.04 -1.24 -1.01 -2.69 115.58 115.97 1cey h ASN 23 Ca 0.23 -0.05 0.12 0.00 0.71 0.00 0.00 56.30 57.32 1cey h ASN 23 Cb 0.53 0.16 -0.14 0.00 0.73 0.00 0.00 38.32 39.61 1cey h ASN 23 CO -0.63 -0.30 -0.42 -0.11 -1.29 0.00 0.00 177.43 174.67 1cey n LEU 24 N -5.33 -0.72 0.06 0.34 0.00 -0.24 0.27 117.00 111.38 1cey n LEU 24 Ca -0.11 1.62 -0.11 0.00 0.00 0.00 0.00 56.01 57.40 1cey n LEU 24 Cb 0.33 -0.32 -0.05 0.00 0.00 0.00 0.00 43.42 43.39 1cey n LEU 24 CO 0.32 -1.41 0.77 -0.07 0.00 0.00 0.00 177.39 177.00 1cey h LEU 25 N 0.00 -0.42 -1.07 -1.96 3.38 -0.89 -1.05 115.31 113.31 1cey h LEU 25 Ca 0.26 0.06 0.17 0.00 0.09 0.00 0.00 57.88 58.46 1cey h LEU 25 Cb 0.49 0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.33 1cey h LEU 25 CO -0.90 -0.20 0.62 0.50 0.09 0.00 0.00 178.44 178.54 1cey h LYS 26 N -0.24 0.78 -0.84 1.13 3.64 0.17 0.45 116.57 121.66 1cey h LYS 26 Ca 0.05 -0.05 0.23 0.00 -1.27 0.00 0.00 60.65 59.61 1cey h LYS 26 Cb 0.31 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 1cey h LYS 26 CO -0.14 0.52 0.59 1.49 -2.27 0.00 0.00 179.45 179.64 1cey h GLU 27 N 0.81 0.10 0.00 1.90 4.81 0.97 -2.81 114.58 120.35 1cey h GLU 27 Ca 0.54 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 1cey h GLU 27 Cb 0.78 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1cey h GLU 27 CO -0.32 0.06 -0.23 1.25 -0.73 0.00 0.00 179.01 179.05 1cey h LEU 28 N 0.10 0.00 0.00 1.64 6.46 -0.01 -3.49 115.31 120.01 1cey h LEU 28 Ca 0.41 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.17 1cey h LEU 28 Cb 1.47 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.40 1cey h LEU 28 CO -0.05 0.50 0.00 0.61 -0.62 0.00 0.00 178.44 178.88 1cey n GLY 29 N 1.72 -1.67 3.25 3.75 0.00 -0.70 -5.07 105.19 106.47 1cey n GLY 29 Ca -0.03 0.70 -0.11 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.11 -0.30 1.61 0.08 -1.24 -4.12 117.98 113.90 1cey s PHE 30 Ca 0.00 -0.04 0.18 0.00 0.12 0.00 0.00 56.93 57.19 1cey s PHE 30 Cb 0.00 0.10 0.46 0.00 -0.57 0.00 0.00 43.02 43.01 1cey s PHE 30 CO 0.00 -0.51 1.33 -1.71 -0.10 0.00 0.00 175.22 174.23 1cey n ASN 31 N 0.54 0.02 -3.20 1.36 5.15 -0.48 -4.40 115.26 114.25 1cey n ASN 31 Ca -0.18 -2.13 0.00 0.00 -0.60 0.00 0.00 54.58 51.66 1cey n ASN 31 Cb 0.60 0.12 -0.03 0.00 -0.53 0.00 0.00 39.78 39.94 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1cey s ASN 32 N -2.44 -0.95 -0.03 1.20 3.84 -1.26 -4.94 114.94 110.37 1cey s ASN 32 Ca 0.18 0.60 -0.09 0.00 0.21 0.00 0.00 52.86 53.76 1cey s ASN 32 Cb 0.39 1.86 0.01 0.00 -0.55 0.00 0.00 41.25 42.96 1cey s ASN 32 CO -0.08 -0.28 0.21 -0.69 -2.79 0.00 0.00 177.10 173.46 1cey s VAL 33 N 2.77 0.05 0.13 -5.21 1.01 -1.26 -2.42 120.40 115.47 1cey s VAL 33 Ca 0.17 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1cey s VAL 33 Cb -0.15 -0.44 -0.00 0.00 0.00 0.00 0.00 36.38 35.79 1cey s VAL 33 CO -0.21 -0.24 0.01 -0.62 0.00 0.00 0.00 175.10 174.04 1cey n GLU 34 N 1.86 1.53 -3.75 2.72 -0.58 -0.78 -4.97 120.64 116.67 1cey n GLU 34 Ca -0.19 -0.97 -0.12 0.00 -0.42 0.00 0.00 57.16 55.45 1cey n GLU 34 Cb 0.56 0.30 -0.07 0.00 -0.57 0.00 0.00 31.44 31.66 1cey n GLU 34 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1cey s GLU 35 N -2.47 0.79 0.14 3.49 2.02 -1.26 -2.48 118.70 118.92 1cey s GLU 35 Ca 0.01 -0.45 0.03 0.00 0.02 0.00 0.00 54.97 54.58 1cey s GLU 35 Cb 0.00 0.34 -0.01 0.00 0.10 0.00 0.00 34.13 34.56 1cey s GLU 35 CO 0.01 -0.25 0.11 0.00 0.02 0.00 0.00 175.26 175.15 1cey n ALA 36 N 0.69 0.29 0.10 5.21 0.00 -1.03 -4.95 120.51 120.81 1cey n ALA 36 Ca -0.19 -0.80 0.01 0.00 0.00 0.00 0.00 53.44 52.46 1cey n ALA 36 Cb 0.59 0.64 0.01 0.00 0.00 0.00 0.00 19.45 20.68 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 -0.27 0.82 0.00 0.00 -0.58 -1.25 -2.55 120.64 116.81 1cey n GLU 37 Ca 0.03 -0.51 0.00 0.00 -0.42 0.00 0.00 57.16 56.26 1cey n GLU 37 Cb 0.25 -0.95 0.00 0.00 -0.57 0.00 0.00 31.44 30.16 1cey n GLU 37 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1cey n ASP 38 N -0.12 0.00 -0.30 1.62 2.03 -1.26 -4.50 116.55 114.02 1cey n ASP 38 Ca 0.01 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.31 1cey n ASP 38 Cb 0.06 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.51 1cey n ASP 38 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1cey h GLY 39 N 0.00 0.19 0.90 0.27 0.00 -1.72 0.54 103.07 103.24 1cey h GLY 39 Ca 0.00 0.42 0.03 0.00 0.00 0.00 0.00 47.33 47.78 1cey h GLY 39 CO 0.00 -0.24 0.51 -0.24 0.00 0.00 0.00 176.54 176.57 1cey h VAL 40 N -0.05 1.14 -0.44 4.60 3.04 -1.83 0.17 116.25 122.88 1cey h VAL 40 Ca 0.33 -0.34 0.02 0.00 -1.01 0.00 0.00 66.70 65.70 1cey h VAL 40 Cb 0.59 0.05 -0.03 0.00 -2.01 0.00 0.00 31.29 29.89 1cey h VAL 40 CO -0.86 0.18 0.26 -0.78 -1.01 0.00 0.00 177.57 175.36 1cey h ASP 41 N 1.00 0.41 -0.90 3.17 1.82 -0.47 -1.19 116.42 120.27 1cey h ASP 41 Ca 0.31 0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.96 1cey h ASP 41 Cb -0.02 -0.08 -0.04 0.00 0.68 0.00 0.00 39.33 39.87 1cey h ASP 41 CO -0.10 0.30 0.59 0.00 -1.61 0.00 0.00 179.24 178.41 1cey h ALA 42 N 1.20 1.14 -1.01 -0.78 0.00 0.61 0.38 119.26 120.80 1cey h ALA 42 Ca 0.18 -0.07 0.23 0.00 0.00 0.00 0.00 54.91 55.24 1cey h ALA 42 Cb 0.02 -0.37 -0.11 0.00 0.00 0.00 0.00 17.79 17.33 1cey h ALA 42 CO -0.08 0.56 0.61 1.25 0.00 0.00 0.00 179.25 181.58 1cey h LEU 43 N 1.22 0.70 0.05 0.00 7.12 0.54 2.60 115.31 127.53 1cey h LEU 43 Ca 0.33 0.12 -0.30 0.00 0.13 0.00 0.00 57.88 58.15 1cey h LEU 43 Cb -0.13 -0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 39.97 1cey h LEU 43 CO -0.07 0.17 -1.67 0.78 -0.13 0.00 0.00 178.44 177.52 1cey h ASN 44 N 0.64 0.15 0.00 1.25 2.35 -0.89 -3.33 115.58 115.75 1cey h ASN 44 Ca 0.61 -0.29 -0.10 0.00 -0.55 0.00 0.00 56.30 55.98 1cey h ASN 44 Cb 1.12 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 1cey h ASN 44 CO -0.42 1.25 -0.82 0.50 -1.65 0.00 0.00 177.43 176.29 1cey h LYS 45 N 0.03 0.00 -1.07 0.81 3.11 0.12 -3.36 116.57 116.21 1cey h LYS 45 Ca -0.28 0.00 0.31 0.00 -2.81 0.00 0.00 60.65 57.87 1cey h LYS 45 Cb 2.00 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 33.18 1cey h LYS 45 CO 0.10 0.42 0.95 1.25 -2.81 0.00 0.00 179.45 179.36 1cey h LEU 46 N -1.00 0.00 -0.27 5.20 6.46 0.43 1.48 115.31 127.62 1cey h LEU 46 Ca -0.15 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 1cey h LEU 46 Cb 0.84 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.77 1cey h LEU 46 CO -0.09 0.00 0.00 1.67 -0.62 0.00 0.00 178.44 179.40 1cey n GLN 47 N -3.74 0.63 -0.05 1.25 7.27 -1.19 -3.95 117.38 117.59 1cey n GLN 47 Ca 0.23 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 57.20 1cey n GLN 47 Cb 1.30 -1.08 -0.04 0.00 2.41 0.00 0.00 30.24 32.83 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1cey h ALA 48 N 2.09 -0.36 0.00 1.69 0.00 0.19 -3.42 119.26 119.45 1cey h ALA 48 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1cey h ALA 48 Cb 0.08 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1cey h ALA 48 CO 0.00 -0.81 -0.02 0.41 0.00 0.00 0.00 179.25 178.83 1cey n GLY 49 N -1.42 -0.57 0.12 0.00 0.00 -1.25 -5.12 105.19 96.95 1cey n GLY 49 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.04 -0.77 3.17 -0.02 0.00 -1.26 -5.00 105.19 101.27 1cey n GLY 50 Ca -0.02 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 1cey n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cey s TYR 51 N -0.21 3.36 -2.00 1.61 1.51 -1.26 -4.93 117.35 115.43 1cey s TYR 51 Ca 0.00 -1.97 0.03 0.00 -1.01 0.00 0.00 57.07 54.12 1cey s TYR 51 Cb 0.00 -2.44 0.17 0.00 -0.11 0.00 0.00 41.96 39.58 1cey s TYR 51 CO 0.00 -0.84 0.64 0.41 -1.11 0.00 0.00 175.55 174.65 1cey n GLY 52 N 4.64 -0.09 3.61 0.71 0.00 -1.16 -4.53 105.19 108.36 1cey n GLY 52 Ca -0.10 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 -0.43 -0.06 1.61 2.19 -0.22 -4.00 117.98 115.09 1cey s PHE 53 Ca 0.04 0.92 -0.02 0.00 0.33 0.00 0.00 56.93 58.20 1cey s PHE 53 Cb 0.02 0.40 0.04 0.00 -1.31 0.00 0.00 43.02 42.17 1cey s PHE 53 CO 0.03 -0.28 0.11 0.08 1.83 0.00 0.00 175.22 177.00 1cey s VAL 54 N -0.35 -0.10 -0.58 3.12 1.01 -0.68 -1.82 120.40 120.99 1cey s VAL 54 Ca 0.01 0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.19 1cey s VAL 54 Cb -0.03 -0.20 0.15 0.00 0.00 0.00 0.00 36.38 36.30 1cey s VAL 54 CO -0.03 0.10 0.42 -0.63 0.00 0.00 0.00 175.10 174.96 1cey s ILE 55 N 1.48 3.90 0.07 2.22 1.01 0.01 -0.94 121.20 128.95 1cey s ILE 55 Ca -0.05 -2.57 -0.16 0.00 0.00 0.00 0.00 60.65 57.87 1cey s ILE 55 Cb -0.12 -3.55 -0.06 0.00 0.01 0.00 0.00 42.46 38.74 1cey s ILE 55 CO -0.05 -0.84 0.51 -0.94 0.00 0.00 0.00 174.94 173.61 1cey s SER 56 N 1.34 6.90 -0.28 3.58 1.04 -1.24 -2.48 113.70 122.56 1cey s SER 56 Ca 0.14 1.10 0.11 0.00 0.48 0.00 0.00 55.95 57.78 1cey s SER 56 Cb -0.21 -2.30 0.62 0.00 0.10 0.00 0.00 66.02 64.24 1cey s SER 56 CO -0.04 0.24 1.62 -0.67 0.98 0.00 0.00 173.24 175.37 1cey n ASP 57 N 1.46 3.91 -1.52 7.02 2.03 -1.12 -0.82 116.55 127.50 1cey n ASP 57 Ca -0.10 -3.33 0.00 0.00 0.52 0.00 0.00 54.79 51.88 1cey n ASP 57 Cb 0.52 -0.67 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 1cey n ASP 57 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1cey n TRP 58 N -0.57 -4.19 -3.94 -0.67 -0.00 -1.25 -4.82 117.44 102.00 1cey n TRP 58 Ca 0.35 2.25 -0.09 0.00 -0.00 0.00 0.00 57.50 60.00 1cey n TRP 58 Cb 1.18 -3.44 -0.05 0.00 -0.00 0.00 0.00 31.31 29.00 1cey n TRP 58 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1cey s ASN 59 N -3.98 -0.09 0.00 5.87 -0.87 -1.26 -4.83 114.94 109.78 1cey s ASN 59 Ca 0.00 -0.82 0.07 0.00 -1.57 0.00 0.00 52.86 50.54 1cey s ASN 59 Cb 0.00 0.55 0.12 0.00 -0.02 0.00 0.00 41.25 41.89 1cey s ASN 59 CO 0.00 -1.06 0.97 1.15 -2.57 0.00 0.00 177.10 175.59 1cey n MET 60 N -0.33 0.00 0.26 -0.60 0.00 -1.26 -3.49 117.12 111.70 1cey n MET 60 Ca -0.05 -1.13 -0.16 0.00 0.00 0.00 0.00 57.70 56.37 1cey n MET 60 Cb 0.62 -0.21 -0.08 0.00 0.00 0.00 0.00 33.22 33.55 1cey n MET 60 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1cey h PRO 61 N 0.27 -0.63 0.00 3.17 0.13 -1.98 -3.43 132.00 129.53 1cey h PRO 61 Ca -0.11 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1cey h PRO 61 Cb 1.48 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.75 1cey h PRO 61 CO 0.00 -0.42 0.00 0.27 -0.23 0.00 0.00 178.00 177.63 1cey n ASN 62 N -5.38 0.00 -3.34 1.44 0.23 -1.26 -5.06 115.26 101.88 1cey n ASN 62 Ca -0.11 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.83 1cey n ASN 62 Cb 0.28 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.91 1cey n ASN 62 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1cey s MET 63 N -0.13 0.37 0.83 -3.83 -1.94 -1.26 -5.12 119.30 108.21 1cey s MET 63 Ca 0.00 0.21 -0.13 0.00 -1.71 0.00 0.00 55.69 54.06 1cey s MET 63 Cb 0.00 -0.45 0.21 0.00 2.01 0.00 0.00 34.83 36.60 1cey s MET 63 CO 0.00 -0.90 0.47 -0.40 -0.01 0.00 0.00 175.02 174.18 1cey n ASP 64 N 5.35 -3.15 -0.16 3.03 5.68 -1.23 -3.80 116.55 122.27 1cey n ASP 64 Ca -0.01 -0.48 0.14 0.00 -0.50 0.00 0.00 54.79 53.93 1cey n ASP 64 Cb 0.49 -0.56 0.50 0.00 -1.14 0.00 0.00 41.12 40.41 1cey n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cey n GLY 65 N -3.06 -0.84 0.07 6.12 0.00 -1.26 -3.93 105.19 102.29 1cey n GLY 65 Ca 0.08 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 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 0.78 -0.05 -1.69 0.99 5.85 -1.93 -0.07 115.31 119.19 1cey h LEU 66 Ca 0.00 -0.21 0.14 0.00 0.84 0.00 0.00 57.88 58.65 1cey h LEU 66 Cb 0.43 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1cey h LEU 66 CO 0.00 0.18 0.64 -0.08 -0.34 0.00 0.00 178.44 178.84 1cey h GLU 67 N -0.28 0.00 0.39 1.25 4.57 -1.93 0.31 114.58 118.89 1cey h GLU 67 Ca -0.01 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1cey h GLU 67 Cb 0.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1cey h GLU 67 CO 0.01 0.00 -0.19 1.25 -1.18 0.00 0.00 179.01 178.90 1cey h LEU 68 N 0.00 -0.44 -0.23 1.64 5.85 -1.22 0.36 115.31 121.26 1cey h LEU 68 Ca 0.23 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.90 1cey h LEU 68 Cb 1.50 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.57 1cey h LEU 68 CO -0.00 -0.01 -0.34 0.25 -0.34 0.00 0.00 178.44 178.00 1cey h LEU 69 N -1.01 -1.08 -0.01 2.25 6.46 0.12 2.29 115.31 124.34 1cey h LEU 69 Ca -0.05 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1cey h LEU 69 Cb 0.52 0.47 -0.00 0.00 -0.73 0.00 0.00 40.66 40.92 1cey h LEU 69 CO 0.09 -0.35 -0.00 0.11 -0.62 0.00 0.00 178.44 177.66 1cey h LYS 70 N -0.35 -0.00 0.00 1.25 1.57 -1.29 -0.89 116.57 116.85 1cey h LYS 70 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1cey h LYS 70 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1cey h LYS 70 CO -0.43 -0.00 0.00 2.41 -0.57 0.00 0.00 179.45 180.86 1cey n THR 71 N -5.10 0.83 0.08 -0.16 -1.04 0.13 -1.88 114.28 107.15 1cey n THR 71 Ca -0.07 0.27 -0.05 0.00 -2.04 0.00 0.00 64.05 62.16 1cey n THR 71 Cb 0.04 -1.21 -0.05 0.00 -1.82 0.00 0.00 70.33 67.29 1cey n THR 71 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1cey h ILE 72 N 0.00 1.61 0.04 12.58 2.04 0.52 -3.25 117.51 131.06 1cey h ILE 72 Ca 0.00 -3.07 -0.24 0.00 1.00 0.00 0.00 64.86 62.55 1cey h ILE 72 Cb 0.34 2.67 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 1cey h ILE 72 CO 0.00 0.87 -1.03 0.03 0.00 0.00 0.00 178.15 178.02 1cey h ARG 73 N 0.00 0.34 -1.18 2.37 3.08 -0.66 -2.97 114.38 115.37 1cey h ARG 73 Ca -0.01 -0.42 0.34 0.00 0.07 0.00 0.00 59.98 59.96 1cey h ARG 73 Cb 1.60 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 31.73 1cey h ARG 73 CO 0.12 1.12 1.00 0.00 -1.07 0.00 0.00 179.97 181.14 1cey h ALA 74 N 0.72 3.07 -0.26 0.04 0.00 -1.55 -3.31 119.26 117.96 1cey h ALA 74 Ca -0.09 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.54 1cey h ALA 74 Cb 1.70 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 1cey h ALA 74 CO 0.17 -1.60 0.75 -0.25 0.00 0.00 0.00 179.25 178.32 1cey n ASP 75 N -3.80 2.27 0.00 0.00 9.92 -1.22 -4.84 116.55 118.88 1cey n ASP 75 Ca 0.26 -2.61 0.00 0.00 -0.53 0.00 0.00 54.79 51.91 1cey n ASP 75 Cb 1.37 -1.64 0.00 0.00 -0.64 0.00 0.00 41.12 40.21 1cey n ASP 75 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cey n GLY 76 N 5.81 0.65 0.09 0.44 0.00 -1.25 0.45 105.19 111.38 1cey n GLY 76 Ca 0.44 -0.82 0.15 0.00 0.00 0.00 0.00 46.02 45.79 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 1.64 2.67 1.06 4.61 0.00 -1.26 -3.06 120.51 126.17 1cey n ALA 77 Ca 0.00 -0.24 0.12 0.00 0.00 0.00 0.00 53.44 53.33 1cey n ALA 77 Cb 0.00 -1.40 0.28 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.97 0.20 0.00 0.00 0.00 -1.05 -4.97 117.12 110.33 1cey n MET 78 Ca 0.17 -0.11 0.00 0.00 -0.00 0.00 0.00 57.70 57.75 1cey n MET 78 Cb 0.24 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.96 1cey n MET 78 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1cey n SER 79 N -1.30 0.00 -2.96 6.12 7.64 0.17 -3.25 113.62 120.04 1cey n SER 79 Ca 0.07 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.81 1cey n SER 79 Cb 0.34 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.57 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 10.63 0.59 -0.54 -0.43 0.00 -1.12 -4.49 120.51 125.15 1cey n ALA 80 Ca 0.00 -2.43 0.07 0.00 0.00 0.00 0.00 53.44 51.08 1cey n ALA 80 Cb 0.00 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.39 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 0.39 0.00 -4.77 0.00 4.77 -1.20 -4.71 117.00 111.48 1cey n LEU 81 Ca 0.15 0.54 -0.40 0.00 -0.03 0.00 0.00 56.01 56.28 1cey n LEU 81 Cb 0.67 -1.79 0.01 0.00 -2.33 0.00 0.00 43.42 39.98 1cey n LEU 81 CO 0.12 -1.05 1.02 -2.84 -1.33 0.00 0.00 177.39 173.31 1cey s PRO 82 N -1.32 3.78 -0.25 3.23 0.02 -1.26 -4.91 135.00 134.30 1cey s PRO 82 Ca 0.00 2.30 -0.03 0.00 0.02 0.00 0.00 61.00 63.28 1cey s PRO 82 Cb 0.00 -2.68 0.08 0.00 0.02 0.00 0.00 34.50 31.92 1cey s PRO 82 CO 0.00 -0.70 0.09 0.08 -0.33 0.00 0.00 177.00 176.15 1cey s VAL 83 N -1.24 0.27 -0.54 3.83 1.01 -1.26 -1.69 120.40 120.78 1cey s VAL 83 Ca 0.60 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.63 1cey s VAL 83 Cb -0.41 -1.06 0.06 0.00 0.00 0.00 0.00 36.38 34.97 1cey s VAL 83 CO 0.53 -0.51 0.75 -0.22 0.00 0.00 0.00 175.10 175.64 1cey s LEU 84 N 1.95 4.70 -0.21 3.92 2.96 -0.11 -1.91 118.68 129.98 1cey s LEU 84 Ca 0.05 -0.79 -0.29 0.00 -0.22 0.00 0.00 54.13 52.88 1cey s LEU 84 Cb -0.17 -2.55 -0.00 0.00 0.50 0.00 0.00 46.19 43.98 1cey s LEU 84 CO -0.22 -1.05 1.17 -0.32 -1.32 0.00 0.00 176.35 174.61 1cey s MET 85 N 3.13 4.21 0.02 1.98 -2.45 -1.05 -3.60 119.30 121.53 1cey s MET 85 Ca 0.20 1.48 0.02 0.00 -1.25 0.00 0.00 55.69 56.14 1cey s MET 85 Cb -0.17 -3.72 -0.04 0.00 1.25 0.00 0.00 34.83 32.15 1cey s MET 85 CO 0.13 -0.72 0.00 0.54 1.05 0.00 0.00 175.02 176.02 1cey s VAL 86 N 3.46 4.11 0.13 10.11 0.11 -0.00 -2.68 120.40 135.64 1cey s VAL 86 Ca 0.50 -0.70 -0.01 0.00 -2.93 0.00 0.00 61.98 58.83 1cey s VAL 86 Cb -0.18 -2.87 0.01 0.00 -1.53 0.00 0.00 36.38 31.81 1cey s VAL 86 CO 0.12 0.31 0.19 1.07 -3.33 0.00 0.00 175.10 173.46 1cey n THR 87 N 1.18 0.00 0.00 5.04 5.66 -0.93 -3.93 114.28 121.30 1cey n THR 87 Ca -0.13 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.27 1cey n THR 87 Cb 0.52 0.38 0.00 0.00 -1.55 0.00 0.00 70.33 69.69 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 -2.18 2.64 0.73 1.79 0.00 -1.26 -2.10 120.51 120.14 1cey n ALA 88 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1cey n ALA 88 Cb 0.21 0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.49 0.73 -1.53 0.00 0.28 -1.26 -4.80 120.64 111.57 1cey n GLU 89 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.73 1cey n GLU 89 Cb 0.25 -1.22 -0.10 0.00 1.43 0.00 0.00 31.44 31.80 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 0.45 0.61 -0.01 -1.84 0.00 -1.26 -4.70 120.51 113.76 1cey n ALA 90 Ca 0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 53.44 52.49 1cey n ALA 90 Cb 0.30 -2.92 -0.00 0.00 0.00 0.00 0.00 19.45 16.83 1cey n ALA 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1cey n LYS 91 N 8.21 0.05 0.00 0.00 4.81 -1.26 -4.96 118.16 125.00 1cey n LYS 91 Ca 0.51 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1cey n LYS 91 Cb 0.34 -0.58 0.00 0.00 0.02 0.00 0.00 35.03 34.81 1cey n LYS 91 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1cey n LYS 92 N -2.67 0.00 0.15 1.64 2.85 -1.26 -4.89 118.16 113.97 1cey n LYS 92 Ca -0.01 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.28 1cey n LYS 92 Cb 0.05 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.46 1cey n LYS 92 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 1cey h GLU 93 N 0.00 0.00 0.00 -1.58 4.11 -1.97 -3.04 114.58 112.11 1cey h GLU 93 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.21 1cey h GLU 93 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1cey h GLU 93 CO 0.00 0.46 -1.40 -0.97 0.07 0.00 0.00 179.01 177.16 1cey h ASN 94 N 0.00 0.00 0.30 3.06 -1.24 -1.91 -2.97 115.58 112.81 1cey h ASN 94 Ca -0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 1cey h ASN 94 Cb 1.35 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.40 1cey h ASN 94 CO 0.06 0.80 -0.14 0.40 -1.29 0.00 0.00 177.43 177.26 1cey h ILE 95 N 0.00 0.30 0.00 2.57 2.04 -1.90 -3.19 117.51 117.33 1cey h ILE 95 Ca -0.18 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 64.87 1cey h ILE 95 Cb 1.77 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1cey h ILE 95 CO 0.07 0.08 -0.02 0.40 0.00 0.00 0.00 178.15 178.68 1cey h ILE 96 N -1.04 0.95 -1.00 -0.67 2.04 -1.71 -2.02 117.51 114.06 1cey h ILE 96 Ca -0.04 -0.06 0.22 0.00 1.00 0.00 0.00 64.86 65.98 1cey h ILE 96 Cb 0.43 1.03 -0.12 0.00 -0.74 0.00 0.00 36.82 37.43 1cey h ILE 96 CO 0.07 0.02 0.60 0.00 0.00 0.00 0.00 178.15 178.83 1cey h ALA 97 N 1.98 1.73 0.00 1.87 0.00 -1.51 0.71 119.26 124.04 1cey h ALA 97 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1cey h ALA 97 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1cey h ALA 97 CO 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 179.25 179.05 1cey h ALA 98 N 1.69 0.00 -0.56 0.00 0.00 -1.44 -3.32 119.26 115.64 1cey h ALA 98 Ca 0.61 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.64 1cey h ALA 98 Cb 1.07 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1cey h ALA 98 CO -0.43 0.04 0.45 0.00 0.00 0.00 0.00 179.25 179.31 1cey h ALA 99 N -1.21 2.42 -0.70 0.00 0.00 -1.43 1.26 119.26 119.59 1cey h ALA 99 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1cey h ALA 99 Cb 0.04 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1cey h ALA 99 CO 0.00 -0.74 0.46 0.37 0.00 0.00 0.00 179.25 179.35 1cey h GLN 100 N 0.00 0.59 0.00 0.00 5.75 0.33 3.01 115.11 124.79 1cey h GLN 100 Ca 0.26 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.62 1cey h GLN 100 Cb 1.17 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.57 1cey h GLN 100 CO -0.00 0.39 -0.51 0.00 -2.65 0.00 0.00 178.83 176.06 1cey h ALA 101 N 1.64 0.76 -4.47 3.38 0.00 0.14 -3.48 119.26 117.22 1cey h ALA 101 Ca 0.32 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1cey h ALA 101 Cb 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1cey h ALA 101 CO -0.11 0.64 -0.06 0.41 0.00 0.00 0.00 179.25 180.13 1cey n GLY 102 N 0.85 -0.92 0.00 0.00 0.00 1.01 -4.94 105.19 101.18 1cey n GLY 102 Ca 0.01 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.28 0.00 -0.09 4.61 0.00 -1.26 -4.96 120.51 117.54 1cey n ALA 103 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.23 1cey n ALA 103 Cb 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.79 1cey n ALA 103 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1cey n SER 104 N 0.00 1.93 0.00 0.00 3.41 -0.80 -4.82 113.62 113.35 1cey n SER 104 Ca 0.00 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1cey n SER 104 Cb 0.00 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 1cey n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cey n GLY 105 N 1.56 -0.52 2.94 5.00 0.00 -1.25 -4.99 105.19 107.93 1cey n GLY 105 Ca -0.35 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 1cey n GLY 105 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1cey s TYR 106 N -3.10 -0.11 -0.03 1.61 5.04 -1.26 -2.54 117.35 116.96 1cey s TYR 106 Ca 0.00 0.30 0.02 0.00 -2.44 0.00 0.00 57.07 54.95 1cey s TYR 106 Cb 0.00 -0.02 0.01 0.00 0.35 0.00 0.00 41.96 42.30 1cey s TYR 106 CO 0.00 -0.09 -0.05 0.54 -1.34 0.00 0.00 175.55 174.61 1cey s VAL 107 N 0.45 0.52 0.00 3.14 0.11 -1.09 -5.00 120.40 118.52 1cey s VAL 107 Ca -0.03 -0.19 0.00 0.00 -2.93 0.00 0.00 61.98 58.83 1cey s VAL 107 Cb -0.05 -0.50 0.00 0.00 -1.53 0.00 0.00 36.38 34.30 1cey s VAL 107 CO -0.02 0.19 0.00 0.52 -3.33 0.00 0.00 175.10 172.46 1cey n VAL 108 N 3.55 0.00 -3.55 2.04 0.31 -1.26 -2.19 118.33 117.23 1cey n VAL 108 Ca -0.20 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.00 1cey n VAL 108 Cb 0.54 -0.53 -0.05 0.00 -0.91 0.00 0.00 33.84 32.89 1cey n VAL 108 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1cey s LYS 109 N -0.37 0.78 0.23 5.55 0.00 -0.89 -4.38 119.74 120.65 1cey s LYS 109 Ca 0.00 0.09 -0.30 0.00 0.00 0.00 0.00 55.97 55.77 1cey s LYS 109 Cb 0.00 0.36 -0.09 0.00 0.00 0.00 0.00 37.83 38.11 1cey s LYS 109 CO 0.00 -0.26 1.10 -1.25 0.00 0.00 0.00 175.35 174.94 1cey s PRO 110 N -1.50 4.62 0.28 1.78 0.05 -1.26 -4.81 135.00 134.16 1cey s PRO 110 Ca -0.03 1.77 0.03 0.00 0.05 0.00 0.00 61.00 62.82 1cey s PRO 110 Cb -0.00 -3.23 -0.03 0.00 0.05 0.00 0.00 34.50 31.29 1cey s PRO 110 CO 0.02 0.15 0.43 -0.59 0.05 0.00 0.00 177.00 177.07 1cey s PHE 111 N -0.74 3.46 0.14 0.56 -0.12 -1.26 -5.09 117.98 114.92 1cey s PHE 111 Ca 0.47 0.11 -0.10 0.00 -0.05 0.00 0.00 56.93 57.36 1cey s PHE 111 Cb -0.31 -1.71 -0.06 0.00 -0.63 0.00 0.00 43.02 40.31 1cey s PHE 111 CO 0.38 0.30 0.46 0.99 -0.05 0.00 0.00 175.22 177.31 1cey s THR 112 N -2.11 5.02 0.44 -4.49 2.01 -1.26 -4.84 115.64 110.39 1cey s THR 112 Ca 0.37 0.47 0.23 0.00 0.31 0.00 0.00 61.69 63.07 1cey s THR 112 Cb -0.09 -3.65 0.43 0.00 0.01 0.00 0.00 72.50 69.19 1cey s THR 112 CO 0.32 0.16 1.79 0.00 -0.69 0.00 0.00 174.62 176.19 1cey h ALA 113 N 3.27 2.44 -0.39 7.40 0.00 -1.98 1.92 119.26 131.92 1cey h ALA 113 Ca -0.48 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1cey h ALA 113 Cb 1.18 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1cey h ALA 113 CO 0.68 -0.82 -0.00 0.00 0.00 0.00 0.00 179.25 179.10 1cey h ALA 114 N 1.58 1.27 -0.17 0.00 0.00 -1.98 0.61 119.26 120.56 1cey h ALA 114 Ca 0.57 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1cey h ALA 114 Cb 1.66 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1cey h ALA 114 CO -0.22 0.49 0.00 2.41 0.00 0.00 0.00 179.25 181.93 1cey n THR 115 N -4.25 0.00 -0.07 0.00 -1.04 0.64 -1.83 114.28 107.73 1cey n THR 115 Ca 0.02 0.95 0.25 0.00 -2.04 0.00 0.00 64.05 63.23 1cey n THR 115 Cb 0.27 -1.92 0.72 0.00 -1.82 0.00 0.00 70.33 67.58 1cey n THR 115 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1cey h LEU 116 N 0.00 0.00 0.67 -4.42 -0.00 -1.26 -1.77 115.31 108.53 1cey h LEU 116 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1cey h LEU 116 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.67 1cey h LEU 116 CO 0.00 0.00 -0.32 -0.08 -0.00 0.00 0.00 178.44 178.04 1cey h GLU 117 N 0.00 -0.86 -0.86 1.13 4.81 0.27 -0.69 114.58 118.37 1cey h GLU 117 Ca 0.33 0.06 0.22 0.00 -0.13 0.00 0.00 59.36 59.84 1cey h GLU 117 Cb 1.47 0.20 -0.13 0.00 0.63 0.00 0.00 28.75 30.91 1cey h GLU 117 CO -0.00 -0.57 0.25 0.93 -0.73 0.00 0.00 179.01 178.88 1cey h GLU 118 N -0.97 0.23 -0.13 1.92 5.08 -0.56 1.18 114.58 121.33 1cey h GLU 118 Ca -0.09 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1cey h GLU 118 Cb 0.68 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1cey h GLU 118 CO 0.15 0.15 -0.02 0.87 -1.00 0.00 0.00 179.01 179.16 1cey h LYS 119 N 0.24 0.18 0.00 2.33 6.56 -1.22 0.38 116.57 125.04 1cey h LYS 119 Ca 0.53 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 60.07 1cey h LYS 119 Cb 1.05 -0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.67 1cey h LYS 119 CO -0.62 0.22 -0.16 1.25 -2.06 0.00 0.00 179.45 178.08 1cey h LEU 120 N 0.18 0.00 -1.47 2.94 6.46 0.28 -2.58 115.31 121.11 1cey h LEU 120 Ca 0.04 -0.60 -0.02 0.00 -0.12 0.00 0.00 57.88 57.19 1cey h LEU 120 Cb 0.17 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1cey h LEU 120 CO 0.01 0.89 0.15 -1.13 -0.62 0.00 0.00 178.44 177.74 1cey h ASN 121 N -1.00 0.45 -0.20 1.25 -1.24 -0.28 0.36 115.58 114.92 1cey h ASN 121 Ca -0.04 -0.04 -0.11 0.00 0.71 0.00 0.00 56.30 56.83 1cey h ASN 121 Cb 0.71 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.65 1cey h ASN 121 CO -0.02 0.41 -0.30 0.50 -1.29 0.00 0.00 177.43 176.73 1cey h LYS 122 N 0.50 0.55 -0.19 6.67 3.64 -0.35 0.73 116.57 128.12 1cey h LYS 122 Ca 0.13 -0.33 -0.17 0.00 -1.27 0.00 0.00 60.65 59.01 1cey h LYS 122 Cb 0.09 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1cey h LYS 122 CO -0.01 0.93 -0.57 0.82 -2.27 0.00 0.00 179.45 178.35 1cey h ILE 123 N 0.21 1.32 0.00 2.00 2.04 -1.02 -3.07 117.51 118.99 1cey h ILE 123 Ca 0.02 -1.82 -0.14 0.00 1.00 0.00 0.00 64.86 63.92 1cey h ILE 123 Cb 0.88 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 1cey h ILE 123 CO 0.07 0.57 -0.68 -0.26 0.00 0.00 0.00 178.15 177.85 1cey h PHE 124 N 0.45 0.00 -0.82 1.37 -1.00 -0.27 -2.81 116.94 113.86 1cey h PHE 124 Ca 0.00 0.00 0.24 0.00 2.81 0.00 0.00 57.97 61.02 1cey h PHE 124 Cb 1.12 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.65 1cey h PHE 124 CO 0.05 0.68 0.60 1.49 -1.61 0.00 0.00 178.31 179.52 1cey h GLU 125 N 0.00 0.00 0.01 1.51 4.81 -0.74 1.22 114.58 121.39 1cey h GLU 125 Ca -0.01 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.96 1cey h GLU 125 Cb 1.21 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 1cey h GLU 125 CO 0.09 0.00 -1.47 0.87 -0.73 0.00 0.00 179.01 177.77 1cey h LYS 126 N 0.00 0.03 0.00 1.92 6.56 -1.61 -3.23 116.57 120.23 1cey h LYS 126 Ca 0.39 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.94 1cey h LYS 126 Cb 1.58 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 33.26 1cey h LYS 126 CO -0.00 0.73 0.00 -0.11 -2.06 0.00 0.00 179.45 178.00 1cey n LEU 127 N -3.19 0.01 -4.21 2.94 7.94 0.26 -4.89 117.00 115.86 1cey n LEU 127 Ca -0.12 0.50 -0.35 0.00 -1.11 0.00 0.00 56.01 54.93 1cey n LEU 127 Cb 1.01 -0.50 -0.03 0.00 0.53 0.00 0.00 43.42 44.44 1cey n LEU 127 CO 0.46 -0.00 -0.05 0.61 -1.11 0.00 0.00 177.39 177.29 1cey n GLY 128 N 1.48 -0.42 0.55 -3.96 0.00 0.35 -5.05 105.19 98.14 1cey n GLY 128 Ca 0.07 0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.36 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35