#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cey n ASP 3 N 0.00 0.00 -1.57 0.00 8.00 -1.26 -4.93 116.55 116.79 1cey n ASP 3 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 1cey n ASP 3 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.21 1cey n ASP 3 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1cey n LYS 4 N -0.13 1.81 -2.10 -1.24 3.00 -1.23 -4.13 118.16 114.14 1cey n LYS 4 Ca 0.00 -1.53 -0.01 0.00 -0.00 0.00 0.00 58.31 56.77 1cey n LYS 4 Cb 0.00 -1.63 0.05 0.00 0.00 0.00 0.00 35.03 33.45 1cey n LYS 4 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1cey n GLU 5 N -0.25 0.56 -2.64 1.64 2.13 -1.26 -3.32 120.64 117.50 1cey n GLU 5 Ca 0.28 -0.59 -0.43 0.00 0.66 0.00 0.00 57.16 57.08 1cey n GLU 5 Cb 1.05 0.15 -0.02 0.00 0.27 0.00 0.00 31.44 32.88 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1cey s LEU 6 N -1.84 3.79 -0.21 4.31 2.96 -1.26 -4.85 118.68 121.57 1cey s LEU 6 Ca 0.05 0.70 -0.33 0.00 -0.22 0.00 0.00 54.13 54.33 1cey s LEU 6 Cb 0.18 -3.52 -0.10 0.00 0.50 0.00 0.00 46.19 43.25 1cey s LEU 6 CO -0.05 -1.07 2.06 0.29 -1.32 0.00 0.00 176.35 176.26 1cey n LYS 7 N 7.36 1.72 -4.14 1.98 5.02 -1.26 -4.72 118.16 124.12 1cey n LYS 7 Ca 0.12 0.55 -0.29 0.00 -2.02 0.00 0.00 58.31 56.67 1cey n LYS 7 Cb 0.48 -2.70 -0.08 0.00 -0.02 0.00 0.00 35.03 32.71 1cey n LYS 7 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1cey s PHE 8 N 6.14 2.96 -0.28 2.13 0.40 -0.97 -0.88 117.98 127.48 1cey s PHE 8 Ca 1.01 -0.05 0.02 0.00 -0.60 0.00 0.00 56.93 57.31 1cey s PHE 8 Cb -0.68 -1.50 0.06 0.00 0.51 0.00 0.00 43.02 41.41 1cey s PHE 8 CO 0.48 0.49 -0.07 -1.17 0.70 0.00 0.00 175.22 175.64 1cey s LEU 9 N -2.47 3.70 -0.23 -0.37 2.96 -0.66 -1.49 118.68 120.13 1cey s LEU 9 Ca 0.26 -1.48 -0.16 0.00 -0.22 0.00 0.00 54.13 52.52 1cey s LEU 9 Cb -0.11 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 1cey s LEU 9 CO 0.18 -0.23 0.43 -0.69 -1.32 0.00 0.00 176.35 174.72 1cey s VAL 10 N 1.10 5.16 -0.27 1.68 1.01 -1.09 -0.89 120.40 127.10 1cey s VAL 10 Ca -0.06 0.73 0.01 0.00 0.00 0.00 0.00 61.98 62.66 1cey s VAL 10 Cb -0.20 -3.75 0.08 0.00 0.00 0.00 0.00 36.38 32.51 1cey s VAL 10 CO -0.05 0.19 0.01 -0.69 0.00 0.00 0.00 175.10 174.56 1cey s VAL 11 N 1.72 1.42 -0.11 2.92 1.01 -1.08 -2.27 120.40 124.01 1cey s VAL 11 Ca 0.19 -1.40 -0.07 0.00 0.00 0.00 0.00 61.98 60.69 1cey s VAL 11 Cb -0.15 -1.86 0.04 0.00 0.00 0.00 0.00 36.38 34.41 1cey s VAL 11 CO 0.09 -0.33 0.27 -1.81 0.00 0.00 0.00 175.10 173.32 1cey s ASP 12 N 1.40 -0.30 -0.53 3.32 1.11 -1.26 -3.37 116.67 117.04 1cey s ASP 12 Ca 0.01 0.58 -0.07 0.00 0.18 0.00 0.00 52.55 53.25 1cey s ASP 12 Cb -0.18 0.50 -0.19 0.00 1.07 0.00 0.00 42.92 44.12 1cey s ASP 12 CO -0.11 -0.14 3.20 0.47 1.18 0.00 0.00 175.17 179.76 1cey n ASP 13 N 3.79 6.02 -3.76 0.27 9.92 -1.26 -4.77 116.55 126.75 1cey n ASP 13 Ca -0.21 -2.45 -0.13 0.00 -0.53 0.00 0.00 54.79 51.48 1cey n ASP 13 Cb 0.55 -1.38 -0.12 0.00 -0.64 0.00 0.00 41.12 39.53 1cey n ASP 13 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1cey s PHE 14 N 1.58 -0.29 -1.28 1.24 0.08 -1.26 -5.01 117.98 113.03 1cey s PHE 14 Ca 0.63 0.71 0.05 0.00 0.12 0.00 0.00 56.93 58.44 1cey s PHE 14 Cb 0.25 0.07 0.19 0.00 -0.57 0.00 0.00 43.02 42.97 1cey s PHE 14 CO -0.02 -0.18 0.95 0.45 -0.10 0.00 0.00 175.22 176.33 1cey n SER 15 N 3.52 1.74 0.00 1.36 2.88 -1.26 -3.44 113.62 118.43 1cey n SER 15 Ca -0.18 -2.14 0.00 0.00 -1.33 0.00 0.00 58.87 55.21 1cey n SER 15 Cb 0.56 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 1cey n SER 15 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1cey n THR 16 N 0.12 0.00 0.08 2.46 -2.24 -1.26 -4.80 114.28 108.64 1cey n THR 16 Ca 0.07 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.93 1cey n THR 16 Cb 0.36 1.65 -0.02 0.00 -2.10 0.00 0.00 70.33 70.22 1cey n THR 16 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1cey h MET 17 N 0.00 0.00 0.00 -0.78 -1.53 -1.93 -3.35 114.93 107.34 1cey h MET 17 Ca 0.00 0.00 -0.13 0.00 -3.44 0.00 0.00 59.70 56.13 1cey h MET 17 Cb 0.42 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.48 1cey h MET 17 CO 0.00 0.09 -0.49 0.00 0.14 0.00 0.00 176.91 176.64 1cey h ARG 18 N 0.00 0.32 -0.01 0.39 3.08 -1.88 -3.09 114.38 113.19 1cey h ARG 18 Ca -0.05 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.65 1cey h ARG 18 Cb 1.17 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 1cey h ARG 18 CO 0.01 1.05 0.07 0.07 -1.07 0.00 0.00 179.97 180.11 1cey h ARG 19 N -0.25 0.00 0.18 0.04 0.11 -1.89 -1.49 114.38 111.07 1cey h ARG 19 Ca -0.06 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.01 1cey h ARG 19 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 1cey h ARG 19 CO 0.10 0.00 -0.08 0.82 0.10 0.00 0.00 179.97 180.90 1cey h ILE 20 N 0.00 0.69 0.00 0.08 2.04 -1.66 -3.22 117.51 115.44 1cey h ILE 20 Ca 0.01 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 1cey h ILE 20 Cb 0.15 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1cey h ILE 20 CO -0.00 0.19 -0.11 -0.37 0.00 0.00 0.00 178.15 177.85 1cey h VAL 21 N -0.93 0.39 0.30 1.67 -1.51 -1.45 -2.42 116.25 112.31 1cey h VAL 21 Ca -0.02 -0.63 -0.01 0.00 -1.23 0.00 0.00 66.70 64.80 1cey h VAL 21 Cb 0.49 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 1cey h VAL 21 CO 0.04 0.11 -0.15 0.03 -1.23 0.00 0.00 177.57 176.37 1cey h ARG 22 N 0.00 -0.40 0.43 5.19 -0.00 -1.32 -0.98 114.38 117.30 1cey h ARG 22 Ca -0.00 0.03 -0.02 0.00 -0.50 0.00 0.00 59.98 59.48 1cey h ARG 22 Cb 0.44 0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.51 1cey h ARG 22 CO 0.01 -0.27 -0.21 -0.97 0.00 0.00 0.00 179.97 178.54 1cey h ASN 23 N -0.41 -0.49 -0.98 7.04 -1.24 -1.54 -1.57 115.58 116.38 1cey h ASN 23 Ca -0.04 -0.10 0.27 0.00 0.71 0.00 0.00 56.30 57.14 1cey h ASN 23 Cb 0.32 0.13 -0.18 0.00 0.73 0.00 0.00 38.32 39.32 1cey h ASN 23 CO 0.06 -0.14 0.04 0.25 -1.29 0.00 0.00 177.43 176.35 1cey h LEU 24 N -0.88 -0.46 -0.18 0.34 6.46 -1.40 0.87 115.31 120.06 1cey h LEU 24 Ca -0.06 0.28 -0.09 0.00 -0.12 0.00 0.00 57.88 57.89 1cey h LEU 24 Cb 0.56 0.48 -0.00 0.00 -0.73 0.00 0.00 40.66 40.97 1cey h LEU 24 CO 0.10 -0.35 -0.22 -0.07 -0.62 0.00 0.00 178.44 177.28 1cey h LEU 25 N 0.01 0.50 -1.96 2.25 3.38 -1.09 -2.79 115.31 115.61 1cey h LEU 25 Ca 0.60 -0.50 0.08 0.00 0.09 0.00 0.00 57.88 58.14 1cey h LEU 25 Cb 1.23 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1cey h LEU 25 CO -0.91 0.90 0.21 0.50 0.09 0.00 0.00 178.44 179.24 1cey h LYS 26 N 0.11 0.05 -0.88 1.13 3.64 0.15 -0.64 116.57 120.12 1cey h LYS 26 Ca 0.02 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1cey h LYS 26 Cb 0.78 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.52 1cey h LYS 26 CO 0.05 0.03 0.54 1.49 -2.27 0.00 0.00 179.45 179.29 1cey h GLU 27 N 0.05 0.90 0.11 1.90 4.22 0.38 -3.00 114.58 119.14 1cey h GLU 27 Ca 0.14 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.52 1cey h GLU 27 Cb 0.51 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1cey h GLU 27 CO -0.01 0.59 -0.05 1.25 -2.18 0.00 0.00 179.01 178.61 1cey h LEU 28 N 0.92 -0.13 0.00 1.64 5.85 -1.20 -3.49 115.31 118.91 1cey h LEU 28 Ca 0.41 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1cey h LEU 28 Cb 0.30 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1cey h LEU 28 CO -0.22 0.46 0.00 0.61 -0.34 0.00 0.00 178.44 178.95 1cey n GLY 29 N 1.22 -1.01 3.26 3.75 0.00 -0.86 -4.95 105.19 106.60 1cey n GLY 29 Ca -0.05 0.45 -0.13 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.25 -0.39 1.61 0.08 -1.24 -3.55 117.98 114.24 1cey s PHE 30 Ca 0.00 0.45 0.11 0.00 0.12 0.00 0.00 56.93 57.61 1cey s PHE 30 Cb 0.00 0.12 0.37 0.00 -0.57 0.00 0.00 43.02 42.94 1cey s PHE 30 CO 0.00 -0.36 1.02 -1.71 -0.10 0.00 0.00 175.22 174.07 1cey n ASN 31 N 1.58 -0.57 -3.15 1.36 4.05 -1.21 -4.33 115.26 112.98 1cey n ASN 31 Ca -0.20 -3.04 0.05 0.00 0.45 0.00 0.00 54.58 51.84 1cey n ASN 31 Cb 0.56 0.51 -0.01 0.00 1.23 0.00 0.00 39.78 42.07 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 -1.97 -0.47 0.36 1.20 2.47 -1.26 -4.89 114.94 110.37 1cey s ASN 32 Ca 0.28 0.17 0.00 0.00 0.42 0.00 0.00 52.86 53.74 1cey s ASN 32 Cb 0.36 1.35 0.00 0.00 -1.45 0.00 0.00 41.25 41.51 1cey s ASN 32 CO -0.05 -0.09 0.46 1.33 -3.72 0.00 0.00 177.10 175.03 1cey n VAL 33 N 5.31 0.00 -3.75 -5.21 0.24 -1.26 -2.30 118.33 111.36 1cey n VAL 33 Ca 0.01 -1.97 0.00 0.00 -2.04 0.00 0.00 64.34 60.33 1cey n VAL 33 Cb 0.55 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 34.08 1cey n VAL 33 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1cey n GLU 34 N -0.61 0.66 -3.75 7.34 -0.58 -0.56 -4.91 120.64 118.23 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 -0.08 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 -1.26 0.70 0.00 3.49 2.02 -1.26 -2.66 118.70 119.74 1cey s GLU 35 Ca 0.00 -0.22 0.00 0.00 0.02 0.00 0.00 54.97 54.77 1cey s GLU 35 Cb 0.00 0.31 0.00 0.00 0.10 0.00 0.00 34.13 34.54 1cey s GLU 35 CO 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 175.26 175.08 1cey n ALA 36 N 1.16 0.00 -0.99 5.21 0.00 -0.96 -4.96 120.51 119.97 1cey n ALA 36 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1cey n ALA 36 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1cey n ALA 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cey n GLU 37 N 0.00 0.04 0.00 0.00 1.02 -1.26 -4.20 120.64 116.23 1cey n GLU 37 Ca 0.00 -0.48 0.00 0.00 -0.02 0.00 0.00 57.16 56.66 1cey n GLU 37 Cb 0.00 -0.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 1cey n GLU 37 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1cey n ASP 38 N -0.01 0.00 0.24 1.62 9.92 -1.26 -4.77 116.55 122.29 1cey n ASP 38 Ca 0.00 0.00 0.10 0.00 -0.53 0.00 0.00 54.79 54.36 1cey n ASP 38 Cb 0.48 0.00 0.59 0.00 -0.64 0.00 0.00 41.12 41.55 1cey n ASP 38 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1cey h GLY 39 N 0.00 0.00 1.42 0.44 0.00 -1.96 0.18 103.07 103.14 1cey h GLY 39 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 1cey h GLY 39 CO 0.00 0.00 -0.76 -0.24 0.00 0.00 0.00 176.54 175.54 1cey h VAL 40 N 0.00 1.34 -0.08 4.60 3.04 -1.98 0.67 116.25 123.84 1cey h VAL 40 Ca -0.00 -2.08 -0.25 0.00 -1.01 0.00 0.00 66.70 63.37 1cey h VAL 40 Cb 0.51 2.06 0.02 0.00 -2.01 0.00 0.00 31.29 31.86 1cey h VAL 40 CO 0.03 0.64 -0.91 -0.78 -1.01 0.00 0.00 177.57 175.53 1cey h ASP 41 N 0.39 0.94 0.32 3.17 1.82 -1.74 -2.87 116.42 118.45 1cey h ASP 41 Ca -0.04 -0.68 -0.21 0.00 -0.39 0.00 0.00 57.03 55.70 1cey h ASP 41 Cb 1.36 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 41.08 1cey h ASP 41 CO 0.14 1.48 -0.89 0.00 -1.61 0.00 0.00 179.24 178.37 1cey h ALA 42 N 0.48 0.42 0.19 -0.78 0.00 -0.64 -2.74 119.26 116.19 1cey h ALA 42 Ca -0.09 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.13 1cey h ALA 42 Cb 1.55 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1cey h ALA 42 CO 0.18 0.81 -0.15 1.25 0.00 0.00 0.00 179.25 181.34 1cey h LEU 43 N 0.24 -0.38 -1.71 0.00 6.46 0.35 2.11 115.31 122.38 1cey h LEU 43 Ca -0.07 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.70 1cey h LEU 43 Cb 1.51 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 41.56 1cey h LEU 43 CO 0.15 -0.23 -0.05 0.78 -0.62 0.00 0.00 178.44 178.47 1cey h ASN 44 N -0.35 0.11 0.94 1.25 2.35 -1.56 -2.11 115.58 116.21 1cey h ASN 44 Ca -0.01 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1cey h ASN 44 Cb 0.31 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1cey h ASN 44 CO -0.01 0.18 -0.94 0.50 -1.65 0.00 0.00 177.43 175.51 1cey h LYS 45 N 0.12 0.00 -0.28 0.81 1.63 -1.01 -3.34 116.57 114.50 1cey h LYS 45 Ca 0.03 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1cey h LYS 45 Cb 0.17 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1cey h LYS 45 CO 0.01 0.00 0.13 1.25 -3.45 0.00 0.00 179.45 177.39 1cey h LEU 46 N 0.00 0.34 -0.39 5.20 7.12 0.41 0.42 115.31 128.42 1cey h LEU 46 Ca 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 57.99 1cey h LEU 46 Cb 0.94 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.99 1cey h LEU 46 CO 0.00 0.30 -0.00 0.00 -0.13 0.00 0.00 178.44 178.60 1cey n GLN 47 N -4.44 1.25 0.00 1.25 1.13 -1.22 -4.33 117.38 111.02 1cey n GLN 47 Ca 0.01 -0.39 0.00 0.00 -1.94 0.00 0.00 57.00 54.69 1cey n GLN 47 Cb 0.11 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.97 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1cey n ALA 48 N -0.54 -0.10 -1.24 -1.58 0.00 0.15 -4.84 120.51 112.37 1cey n ALA 48 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1cey n ALA 48 Cb 0.21 0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1cey n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cey n GLY 49 N -0.96 0.33 2.73 0.00 0.00 -1.26 -5.08 105.19 100.94 1cey n GLY 49 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 1.84 -0.64 3.54 -0.02 0.00 -1.26 -5.08 105.19 103.57 1cey n GLY 50 Ca 0.00 0.50 -0.34 0.00 0.00 0.00 0.00 46.02 46.18 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 1.95 1.13 0.00 1.61 4.01 -1.26 -4.67 117.16 119.93 1cey n TYR 51 Ca 0.09 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 1cey n TYR 51 Cb 0.64 -2.48 0.00 0.00 -0.31 0.00 0.00 39.34 37.18 1cey n TYR 51 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cey n GLY 52 N 6.19 0.00 3.62 2.72 0.00 -0.98 -4.53 105.19 112.22 1cey n GLY 52 Ca 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.96 -0.41 0.03 1.61 5.36 -0.06 -3.99 117.98 118.56 1cey s PHE 53 Ca 0.00 0.92 0.03 0.00 -0.96 0.00 0.00 56.93 56.92 1cey s PHE 53 Cb 0.00 0.40 -0.02 0.00 -0.34 0.00 0.00 43.02 43.06 1cey s PHE 53 CO 0.00 -0.24 -0.10 0.08 -1.46 0.00 0.00 175.22 173.50 1cey s VAL 54 N -0.16 0.73 -0.47 3.12 1.01 -0.67 -1.65 120.40 122.32 1cey s VAL 54 Ca 0.02 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1cey s VAL 54 Cb -0.04 -0.70 0.15 0.00 0.00 0.00 0.00 36.38 35.80 1cey s VAL 54 CO -0.05 -0.08 0.31 -0.63 0.00 0.00 0.00 175.10 174.65 1cey s ILE 55 N -0.81 1.21 -0.04 2.22 1.01 -0.07 -0.66 121.20 124.06 1cey s ILE 55 Ca -0.02 -2.79 -0.02 0.00 0.00 0.00 0.00 60.65 57.82 1cey s ILE 55 Cb -0.07 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 1cey s ILE 55 CO 0.01 -1.03 0.08 -0.94 0.00 0.00 0.00 174.94 173.06 1cey s SER 56 N 0.03 5.74 0.00 3.58 1.04 -1.25 -2.62 113.70 120.22 1cey s SER 56 Ca 0.23 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.87 1cey s SER 56 Cb -0.12 -1.69 0.00 0.00 0.10 0.00 0.00 66.02 64.31 1cey s SER 56 CO -0.09 0.31 0.00 -0.90 0.98 0.00 0.00 173.24 173.55 1cey n ASP 57 N 1.48 0.00 0.00 7.02 5.68 -1.22 -1.25 116.55 128.26 1cey n ASP 57 Ca -0.15 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 1cey n ASP 57 Cb 0.53 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 1cey n ASP 57 CO 0.00 0.00 0.00 1.87 -1.33 0.00 0.00 177.20 177.74 1cey n TRP 58 N 0.00 -0.66 -3.11 2.11 -0.00 -1.23 -3.87 117.44 110.69 1cey n TRP 58 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.50 57.10 1cey n TRP 58 Cb 0.00 0.14 -0.06 0.00 -0.00 0.00 0.00 31.31 31.40 1cey n TRP 58 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1cey s ASN 59 N 0.99 6.68 0.00 5.87 2.20 -1.26 0.24 114.94 129.66 1cey s ASN 59 Ca 0.00 0.83 0.00 0.00 -0.94 0.00 0.00 52.86 52.75 1cey s ASN 59 Cb 0.00 -2.35 0.00 0.00 -2.00 0.00 0.00 41.25 36.90 1cey s ASN 59 CO 0.00 -0.30 0.00 0.23 -2.94 0.00 0.00 177.10 174.09 1cey n MET 60 N 5.17 0.00 -0.21 3.55 2.81 -1.26 -5.00 117.12 122.18 1cey n MET 60 Ca -0.01 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.77 1cey n MET 60 Cb 0.49 0.00 0.10 0.00 -0.71 0.00 0.00 33.22 33.11 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 -2.56 0.12 0.03 -0.05 -1.26 -4.72 135.00 126.56 1cey n PRO 61 Ca 0.00 -0.59 0.05 0.00 -0.05 0.00 0.00 63.50 62.91 1cey n PRO 61 Cb 0.00 -0.67 0.29 0.00 -0.05 0.00 0.00 33.50 33.07 1cey n PRO 61 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 175.50 175.72 1cey n ASN 62 N -3.91 0.27 0.00 3.54 2.04 -1.26 -4.39 115.26 111.55 1cey n ASN 62 Ca 0.05 0.51 0.00 0.00 -0.44 0.00 0.00 54.58 54.71 1cey n ASN 62 Cb 0.22 -0.48 0.00 0.00 -2.53 0.00 0.00 39.78 36.99 1cey n ASN 62 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 1cey n MET 63 N -1.89 0.00 -3.97 -3.83 2.81 -1.26 -5.18 117.12 103.80 1cey n MET 63 Ca -0.01 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.76 1cey n MET 63 Cb 0.27 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.76 1cey n MET 63 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1cey s ASP 64 N 1.36 0.49 0.00 7.83 1.01 -1.26 -4.07 116.67 122.04 1cey s ASP 64 Ca 0.00 -1.31 0.27 0.00 0.71 0.00 0.00 52.55 52.22 1cey s ASP 64 Cb 0.00 0.73 0.84 0.00 1.01 0.00 0.00 42.92 45.50 1cey s ASP 64 CO 0.00 -1.43 1.64 0.61 0.21 0.00 0.00 175.17 176.20 1cey n GLY 65 N -0.54 -1.31 0.41 0.21 0.00 0.14 -3.71 105.19 100.39 1cey n GLY 65 Ca -0.03 -0.25 0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 0.07 0.00 -0.50 0.99 5.85 -1.93 1.20 115.31 120.98 1cey h LEU 66 Ca 0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 1cey h LEU 66 Cb 0.49 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1cey h LEU 66 CO 0.00 0.00 -0.66 1.05 -0.34 0.00 0.00 178.44 178.49 1cey h GLU 67 N 0.00 0.38 0.53 1.25 4.11 -1.98 -0.47 114.58 118.40 1cey h GLU 67 Ca 0.25 -0.28 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 1cey h GLU 67 Cb 1.39 0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.70 1cey h GLU 67 CO -0.00 0.90 -0.25 -0.07 0.07 0.00 0.00 179.01 179.66 1cey h LEU 68 N 0.27 -0.60 0.62 3.06 3.38 0.12 0.55 115.31 122.71 1cey h LEU 68 Ca -0.02 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1cey h LEU 68 Cb 1.20 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 1cey h LEU 68 CO 0.11 -0.32 -0.44 0.25 0.09 0.00 0.00 178.44 178.13 1cey h LEU 69 N -0.87 -1.16 -1.20 1.67 6.46 -1.47 0.84 115.31 119.58 1cey h LEU 69 Ca -0.07 0.08 0.14 0.00 -0.12 0.00 0.00 57.88 57.91 1cey h LEU 69 Cb 0.60 0.36 -0.08 0.00 -0.73 0.00 0.00 40.66 40.81 1cey h LEU 69 CO 0.12 -0.65 0.59 0.50 -0.62 0.00 0.00 178.44 178.38 1cey h LYS 70 N -1.02 0.74 -0.00 1.25 3.64 -1.09 0.26 116.57 120.34 1cey h LYS 70 Ca -0.08 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.12 1cey h LYS 70 Cb 0.85 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1cey h LYS 70 CO 0.03 0.49 -0.64 1.15 -2.27 0.00 0.00 179.45 178.21 1cey h THR 71 N 0.76 1.46 0.00 1.00 2.02 0.89 -2.59 112.91 116.45 1cey h THR 71 Ca 0.47 -2.20 -0.04 0.00 0.77 0.00 0.00 66.41 65.42 1cey h THR 71 Cb 0.70 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 69.29 1cey h THR 71 CO -0.23 0.63 -0.17 0.40 0.37 0.00 0.00 175.52 176.52 1cey h ILE 72 N 0.01 0.60 0.00 3.11 2.04 0.42 -1.31 117.51 122.37 1cey h ILE 72 Ca -0.01 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1cey h ILE 72 Cb 1.14 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1cey h ILE 72 CO 0.08 0.17 -0.33 0.03 0.00 0.00 0.00 178.15 178.10 1cey h ARG 73 N 0.00 0.00 -0.48 2.37 -0.00 -0.94 -3.29 114.38 112.04 1cey h ARG 73 Ca -0.00 0.00 0.10 0.00 -0.50 0.00 0.00 59.98 59.58 1cey h ARG 73 Cb 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 29.97 30.35 1cey h ARG 73 CO 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 179.97 179.76 1cey h ALA 74 N 2.13 0.10 -0.44 0.04 0.00 -1.04 -3.21 119.26 116.84 1cey h ALA 74 Ca 0.00 0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.86 1cey h ALA 74 Cb 0.93 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1cey h ALA 74 CO 0.00 -0.58 0.65 0.34 0.00 0.00 0.00 179.25 179.66 1cey s ASP 75 N -5.15 4.58 0.53 0.00 2.15 -1.25 -4.72 116.67 112.81 1cey s ASP 75 Ca -0.14 -1.07 0.27 0.00 0.43 0.00 0.00 52.55 52.03 1cey s ASP 75 Cb 0.16 -2.58 1.42 0.00 -0.30 0.00 0.00 42.92 41.62 1cey s ASP 75 CO 0.70 -3.45 1.97 1.23 -0.17 0.00 0.00 175.17 175.45 1cey h GLY 76 N 19.33 0.00 0.00 2.66 0.00 -1.89 0.48 103.07 123.66 1cey h GLY 76 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1cey h GLY 76 CO 1.15 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.69 1cey n ALA 77 N -2.66 0.00 -1.11 3.60 0.00 -1.26 -4.23 120.51 114.86 1cey n ALA 77 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.65 1cey n ALA 77 Cb 0.69 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.31 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 -0.01 1.62 0.00 0.00 2.81 -1.23 -5.06 117.12 115.25 1cey n MET 78 Ca 0.00 -2.70 0.00 0.00 -1.81 0.00 0.00 57.70 53.19 1cey n MET 78 Cb 0.00 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 30.93 1cey n MET 78 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1cey n SER 79 N -1.24 0.00 -2.76 7.83 2.88 0.17 -3.00 113.62 117.51 1cey n SER 79 Ca 0.18 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.62 1cey n SER 79 Cb 0.70 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.22 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 10.64 1.85 -0.38 -1.46 0.00 -1.24 -4.78 120.51 125.14 1cey n ALA 80 Ca 0.00 -2.26 0.03 0.00 0.00 0.00 0.00 53.44 51.21 1cey n ALA 80 Cb 0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.16 0.00 -4.76 0.00 4.77 -1.16 -4.65 117.00 111.04 1cey n LEU 81 Ca 0.06 0.24 -0.39 0.00 -0.03 0.00 0.00 56.01 55.90 1cey n LEU 81 Cb 0.79 -0.85 0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1cey n LEU 81 CO 0.10 -0.67 0.98 -2.84 -1.33 0.00 0.00 177.39 173.63 1cey s PRO 82 N -0.69 3.53 -0.15 3.23 0.02 -1.26 -4.91 135.00 134.76 1cey s PRO 82 Ca 0.00 2.19 -0.04 0.00 0.02 0.00 0.00 61.00 63.17 1cey s PRO 82 Cb 0.00 -2.47 0.06 0.00 0.02 0.00 0.00 34.50 32.10 1cey s PRO 82 CO 0.00 -0.87 0.08 0.08 -0.33 0.00 0.00 177.00 175.96 1cey s VAL 83 N -1.31 -0.04 -0.49 3.83 1.01 -1.26 -1.67 120.40 120.47 1cey s VAL 83 Ca 0.65 -0.11 -0.19 0.00 0.00 0.00 0.00 61.98 62.33 1cey s VAL 83 Cb -0.39 -0.55 0.06 0.00 0.00 0.00 0.00 36.38 35.49 1cey s VAL 83 CO 0.48 -0.21 0.58 -0.22 0.00 0.00 0.00 175.10 175.73 1cey s LEU 84 N 2.12 5.03 -0.47 3.92 2.96 0.17 -1.61 118.68 130.79 1cey s LEU 84 Ca 0.02 -0.92 -0.28 0.00 -0.22 0.00 0.00 54.13 52.73 1cey s LEU 84 Cb -0.16 -2.42 0.01 0.00 0.50 0.00 0.00 46.19 44.12 1cey s LEU 84 CO -0.08 -0.82 1.47 -0.32 -1.32 0.00 0.00 176.35 175.28 1cey s MET 85 N 2.46 3.40 0.11 1.98 -2.45 -0.97 -3.81 119.30 120.01 1cey s MET 85 Ca 0.14 0.79 -0.12 0.00 -1.25 0.00 0.00 55.69 55.24 1cey s MET 85 Cb -0.19 -4.10 -0.06 0.00 1.25 0.00 0.00 34.83 31.73 1cey s MET 85 CO 0.12 -1.79 0.48 0.54 1.05 0.00 0.00 175.02 175.41 1cey s VAL 86 N 6.00 4.97 0.23 10.11 0.11 -0.38 -2.65 120.40 138.78 1cey s VAL 86 Ca 0.60 0.66 -0.07 0.00 -2.93 0.00 0.00 61.98 60.24 1cey s VAL 86 Cb -0.13 -3.69 -0.02 0.00 -1.53 0.00 0.00 36.38 31.00 1cey s VAL 86 CO 0.29 0.28 0.32 0.28 -3.33 0.00 0.00 175.10 172.94 1cey s THR 87 N -1.42 0.00 -0.07 5.04 -1.32 -0.52 -3.48 115.64 113.87 1cey s THR 87 Ca 0.35 -1.69 -0.09 0.00 -1.21 0.00 0.00 61.69 59.06 1cey s THR 87 Cb -0.15 -2.35 -0.04 0.00 -1.51 0.00 0.00 72.50 68.46 1cey s THR 87 CO 0.18 0.00 -0.18 0.00 -2.21 0.00 0.00 174.62 172.42 1cey n ALA 88 N -0.34 1.97 0.54 11.08 0.00 -1.26 -1.27 120.51 131.23 1cey n ALA 88 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1cey n ALA 88 Cb 0.64 0.19 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 0.39 0.00 0.00 0.00 177.50 177.89 1cey n GLU 89 N -3.89 0.54 -1.40 0.00 -0.58 -1.26 -4.79 120.64 109.26 1cey n GLU 89 Ca -0.13 0.00 -0.55 0.00 -0.42 0.00 0.00 57.16 56.06 1cey n GLU 89 Cb 0.38 -1.23 -0.09 0.00 -0.57 0.00 0.00 31.44 29.93 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1cey n ALA 90 N 0.69 0.63 -3.36 0.62 0.00 -1.26 -4.82 120.51 113.00 1cey n ALA 90 Ca 0.00 0.08 -0.16 0.00 0.00 0.00 0.00 53.44 53.36 1cey n ALA 90 Cb 0.26 -2.34 -0.08 0.00 0.00 0.00 0.00 19.45 17.29 1cey n ALA 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1cey s LYS 91 N 5.89 0.51 0.59 0.00 2.20 -1.26 -4.90 119.74 122.76 1cey s LYS 91 Ca 1.13 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 1cey s LYS 91 Cb -1.13 -0.63 0.00 0.00 -1.51 0.00 0.00 37.83 34.56 1cey s LYS 91 CO 0.57 -1.12 0.00 1.63 -0.36 0.00 0.00 175.35 176.07 1cey n LYS 92 N 4.75 0.00 0.00 4.03 5.02 -1.26 -2.61 118.16 128.10 1cey n LYS 92 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1cey n LYS 92 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 1cey n LYS 92 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1cey n GLU 93 N 0.00 0.00 -0.51 1.97 1.02 -1.26 -0.06 120.64 121.80 1cey n GLU 93 Ca 0.00 0.70 0.42 0.00 -0.02 0.00 0.00 57.16 58.26 1cey n GLU 93 Cb 0.00 -1.35 0.70 0.00 -0.02 0.00 0.00 31.44 30.78 1cey n GLU 93 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1cey h ASN 94 N 0.00 0.16 0.09 1.62 4.21 -1.82 0.87 115.58 120.72 1cey h ASN 94 Ca 0.00 0.11 -0.00 0.00 1.21 0.00 0.00 56.30 57.61 1cey h ASN 94 Cb 0.00 0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.31 1cey h ASN 94 CO 0.00 -0.16 -0.04 0.40 -1.29 0.00 0.00 177.43 176.34 1cey h ILE 95 N 0.04 0.00 0.00 2.81 2.04 -1.19 -3.15 117.51 118.06 1cey h ILE 95 Ca 0.86 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 66.41 1cey h ILE 95 Cb 2.93 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 1cey h ILE 95 CO -0.33 0.00 0.00 -0.38 0.00 0.00 0.00 178.15 177.44 1cey n ILE 96 N -3.19 0.04 0.06 -0.67 5.41 0.91 -1.66 119.36 120.26 1cey n ILE 96 Ca -0.02 0.01 -0.17 0.00 1.00 0.00 0.00 62.75 63.58 1cey n ILE 96 Cb 0.05 -0.96 -0.08 0.00 -0.71 0.00 0.00 39.64 37.94 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 2.21 0.24 0.40 -1.39 0.00 0.78 0.25 119.26 121.75 1cey h ALA 97 Ca 0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 1cey h ALA 97 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1cey h ALA 97 CO 0.00 0.75 -0.19 0.00 0.00 0.00 0.00 179.25 179.81 1cey h ALA 98 N 0.57 -0.54 -0.01 0.00 0.00 -1.40 -3.11 119.26 114.77 1cey h ALA 98 Ca -0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1cey h ALA 98 Cb 1.65 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 1cey h ALA 98 CO 0.19 -0.51 0.02 0.00 0.00 0.00 0.00 179.25 178.96 1cey h ALA 99 N -1.13 1.26 -1.05 0.00 0.00 -1.68 0.94 119.26 117.60 1cey h ALA 99 Ca -0.06 -0.00 0.28 0.00 0.00 0.00 0.00 54.91 55.14 1cey h ALA 99 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1cey h ALA 99 CO 0.09 -0.03 0.71 1.96 0.00 0.00 0.00 179.25 181.98 1cey h GLN 100 N 0.00 0.21 0.13 0.00 1.08 -0.86 2.51 115.11 118.18 1cey h GLN 100 Ca 0.01 -0.01 -0.32 0.00 -1.45 0.00 0.00 58.65 56.87 1cey h GLN 100 Cb 0.06 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1cey h GLN 100 CO -0.00 0.14 -1.64 0.00 -0.95 0.00 0.00 178.83 176.37 1cey h ALA 101 N 1.55 0.29 -1.46 3.87 0.00 -0.94 -3.50 119.26 119.07 1cey h ALA 101 Ca 0.55 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1cey h ALA 101 Cb 1.73 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.90 1cey h ALA 101 CO -0.16 1.16 0.00 0.41 0.00 0.00 0.00 179.25 180.66 1cey n GLY 102 N 1.74 0.60 0.00 0.00 0.00 0.84 -5.01 105.19 103.37 1cey n GLY 102 Ca -0.20 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.61 0.00 -0.07 4.61 0.00 -1.26 -4.95 120.51 118.23 1cey n ALA 103 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1cey n ALA 103 Cb 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.57 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 1.97 0.00 0.00 3.41 -0.63 -4.83 113.62 113.54 1cey n SER 104 Ca 0.00 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1cey n SER 104 Cb 0.00 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 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 1.65 -0.51 2.99 5.00 0.00 -1.25 -4.99 105.19 108.07 1cey n GLY 105 Ca -0.35 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.21 0.41 -0.02 1.61 5.04 -1.26 -2.29 117.35 117.62 1cey s TYR 106 Ca 0.00 -0.35 -0.01 0.00 -2.44 0.00 0.00 57.07 54.27 1cey s TYR 106 Cb 0.00 -0.26 0.01 0.00 0.35 0.00 0.00 41.96 42.06 1cey s TYR 106 CO 0.00 -0.09 0.03 0.54 -1.34 0.00 0.00 175.55 174.70 1cey s VAL 107 N -0.94 -0.02 0.61 3.14 0.11 -1.08 -4.97 120.40 117.24 1cey s VAL 107 Ca -0.08 0.08 -0.11 0.00 -2.93 0.00 0.00 61.98 58.94 1cey s VAL 107 Cb -0.07 -0.07 -0.04 0.00 -1.53 0.00 0.00 36.38 34.67 1cey s VAL 107 CO -0.00 0.03 1.02 0.54 -3.33 0.00 0.00 175.10 173.37 1cey s VAL 108 N 0.43 4.70 0.12 2.04 0.11 -1.26 -1.44 120.40 125.11 1cey s VAL 108 Ca -0.04 0.89 0.06 0.00 -2.93 0.00 0.00 61.98 59.96 1cey s VAL 108 Cb -0.05 -3.86 -0.04 0.00 -1.53 0.00 0.00 36.38 30.90 1cey s VAL 108 CO -0.01 -1.12 -0.14 -1.59 -3.33 0.00 0.00 175.10 168.90 1cey s LYS 109 N -5.12 1.03 -0.02 1.54 -2.85 -0.40 -3.49 119.74 110.44 1cey s LYS 109 Ca 0.55 -1.25 -0.30 0.00 -1.00 0.00 0.00 55.97 53.97 1cey s LYS 109 Cb -0.11 -0.91 -0.04 0.00 -2.06 0.00 0.00 37.83 34.71 1cey s LYS 109 CO 0.53 0.17 1.19 -1.25 0.10 0.00 0.00 175.35 176.09 1cey s PRO 110 N -2.70 4.39 0.37 1.78 0.05 -1.26 -4.74 135.00 132.88 1cey s PRO 110 Ca 0.09 1.69 -0.06 0.00 0.05 0.00 0.00 61.00 62.78 1cey s PRO 110 Cb -0.05 -3.49 -0.05 0.00 0.05 0.00 0.00 34.50 30.96 1cey s PRO 110 CO 0.03 -0.37 0.66 -0.59 0.05 0.00 0.00 177.00 176.78 1cey s PHE 111 N 1.82 3.50 0.16 0.56 -0.12 -1.23 -5.07 117.98 117.61 1cey s PHE 111 Ca 0.57 0.74 -0.09 0.00 -0.05 0.00 0.00 56.93 58.10 1cey s PHE 111 Cb -0.26 -2.20 -0.06 0.00 -0.63 0.00 0.00 43.02 39.86 1cey s PHE 111 CO 0.24 -0.00 0.46 0.99 -0.05 0.00 0.00 175.22 176.86 1cey s THR 112 N -2.33 5.03 -0.19 -4.49 2.01 -1.26 -4.84 115.64 109.57 1cey s THR 112 Ca 0.46 0.36 0.05 0.00 0.31 0.00 0.00 61.69 62.87 1cey s THR 112 Cb -0.10 -3.64 0.05 0.00 0.01 0.00 0.00 72.50 68.82 1cey s THR 112 CO 0.34 0.07 0.95 0.00 -0.69 0.00 0.00 174.62 175.30 1cey n ALA 113 N 0.25 0.47 0.09 7.40 0.00 -1.26 0.17 120.51 127.64 1cey n ALA 113 Ca -0.03 0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.26 1cey n ALA 113 Cb 0.52 -0.54 -0.15 0.00 0.00 0.00 0.00 19.45 19.28 1cey n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cey h ALA 114 N 0.93 0.12 0.46 0.00 0.00 -1.98 -2.51 119.26 116.28 1cey h ALA 114 Ca 0.00 -1.03 -0.02 0.00 0.00 0.00 0.00 54.91 53.85 1cey h ALA 114 Cb 0.67 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1cey h ALA 114 CO 0.00 0.98 -0.22 1.79 0.00 0.00 0.00 179.25 181.80 1cey h THR 115 N 0.10 0.04 -0.97 0.00 1.35 0.14 0.16 112.91 113.74 1cey h THR 115 Ca -0.26 -0.56 0.19 0.00 -0.55 0.00 0.00 66.41 65.24 1cey h THR 115 Cb 2.07 0.07 -0.11 0.00 -1.73 0.00 0.00 68.15 68.45 1cey h THR 115 CO 0.20 0.01 0.56 0.25 -0.25 0.00 0.00 175.52 176.29 1cey h LEU 116 N -1.15 0.68 0.49 3.87 6.46 -1.59 -1.10 115.31 122.98 1cey h LEU 116 Ca -0.06 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1cey h LEU 116 Cb 0.49 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1cey h LEU 116 CO 0.10 0.21 -0.24 -0.33 -0.62 0.00 0.00 178.44 177.57 1cey h GLU 117 N 0.68 -0.64 -1.15 1.25 4.39 -1.35 0.38 114.58 118.14 1cey h GLU 117 Ca 0.57 0.04 0.41 0.00 0.34 0.00 0.00 59.36 60.72 1cey h GLU 117 Cb 0.93 0.15 -0.15 0.00 -0.10 0.00 0.00 28.75 29.57 1cey h GLU 117 CO -0.41 -0.40 0.68 1.49 -1.16 0.00 0.00 179.01 179.22 1cey h GLU 118 N -0.72 0.09 0.00 2.33 4.81 0.64 1.29 114.58 123.01 1cey h GLU 118 Ca -0.07 -0.01 -0.27 0.00 -0.13 0.00 0.00 59.36 58.89 1cey h GLU 118 Cb 0.53 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 1cey h GLU 118 CO 0.11 0.06 -1.54 0.87 -0.73 0.00 0.00 179.01 177.78 1cey h LYS 119 N 0.09 0.00 0.32 1.92 1.57 -1.12 -3.28 116.57 116.07 1cey h LYS 119 Ca 0.82 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.59 1cey h LYS 119 Cb 2.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.62 1cey h LYS 119 CO -0.59 0.57 -0.15 1.25 -0.57 0.00 0.00 179.45 179.95 1cey h LEU 120 N 0.00 -0.36 -1.37 2.94 5.85 0.59 -0.31 115.31 122.65 1cey h LEU 120 Ca -0.22 0.01 0.29 0.00 0.84 0.00 0.00 57.88 58.80 1cey h LEU 120 Cb 1.93 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 42.95 1cey h LEU 120 CO 0.09 -0.20 0.70 0.78 -0.34 0.00 0.00 178.44 179.46 1cey h ASN 121 N -0.54 0.41 0.99 1.25 4.21 -1.07 1.17 115.58 122.01 1cey h ASN 121 Ca -0.04 0.09 -0.08 0.00 1.21 0.00 0.00 56.30 57.48 1cey h ASN 121 Cb 0.33 0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.55 1cey h ASN 121 CO 0.07 0.04 -0.38 0.11 -1.29 0.00 0.00 177.43 175.98 1cey h LYS 122 N 0.34 0.00 0.17 0.81 1.79 -1.60 -2.53 116.57 115.56 1cey h LYS 122 Ca 0.63 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.79 1cey h LYS 122 Cb 1.68 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.34 1cey h LYS 122 CO -0.32 0.38 -1.55 0.82 -1.08 0.00 0.00 179.45 177.70 1cey h ILE 123 N 0.00 1.05 0.00 1.86 2.04 0.31 -3.32 117.51 119.45 1cey h ILE 123 Ca -0.00 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.35 1cey h ILE 123 Cb 0.98 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.88 1cey h ILE 123 CO 0.05 0.80 0.00 -0.26 0.00 0.00 0.00 178.15 178.74 1cey h PHE 124 N -0.04 0.00 0.00 1.37 -1.00 -0.68 -2.11 116.94 114.48 1cey h PHE 124 Ca -0.31 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.47 1cey h PHE 124 Cb 1.98 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 41.54 1cey h PHE 124 CO 0.12 0.00 -0.01 1.49 -1.61 0.00 0.00 178.31 178.30 1cey h GLU 125 N 0.00 0.00 0.01 1.51 4.57 -1.54 0.54 114.58 119.67 1cey h GLU 125 Ca 0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.85 1cey h GLU 125 Cb 0.54 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.07 1cey h GLU 125 CO 0.00 0.01 -2.04 1.17 -1.18 0.00 0.00 179.01 176.96 1cey n LYS 126 N -3.20 0.67 0.18 1.92 3.00 -0.81 -3.99 118.16 115.93 1cey n LYS 126 Ca -0.03 0.17 0.05 0.00 -0.00 0.00 0.00 58.31 58.51 1cey n LYS 126 Cb 0.10 -1.67 0.31 0.00 0.00 0.00 0.00 35.03 33.78 1cey n LYS 126 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1cey h LEU 127 N 0.01 0.00 -2.66 3.14 6.46 -0.87 -3.48 115.31 117.91 1cey h LEU 127 Ca -0.42 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.23 1cey h LEU 127 Cb 2.09 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 42.03 1cey h LEU 127 CO 0.05 0.39 -0.61 0.61 -0.62 0.00 0.00 178.44 178.26 1cey n GLY 128 N 0.31 -0.99 0.48 3.75 0.00 0.17 -5.08 105.19 103.84 1cey n GLY 128 Ca -0.00 1.08 0.14 0.00 0.00 0.00 0.00 46.02 47.24 1cey n GLY 128 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47