#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cey n ASP 3 N 0.00 -1.37 -0.87 0.00 8.00 -1.26 -4.82 116.55 116.23 1cey n ASP 3 Ca 0.00 0.85 0.05 0.00 0.71 0.00 0.00 54.79 56.41 1cey n ASP 3 Cb 0.00 -1.07 0.18 0.00 -0.02 0.00 0.00 41.12 40.21 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 0.67 2.24 -2.71 -1.24 4.81 -1.26 -4.20 118.16 116.47 1cey n LYS 4 Ca 0.11 -1.46 -0.05 0.00 -0.87 0.00 0.00 58.31 56.05 1cey n LYS 4 Cb 0.41 -1.49 0.09 0.00 0.02 0.00 0.00 35.03 34.07 1cey n LYS 4 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1cey n GLU 5 N 0.53 1.32 -2.42 1.64 2.13 -1.26 -3.42 120.64 119.16 1cey n GLU 5 Ca 0.13 -2.23 -0.41 0.00 0.66 0.00 0.00 57.16 55.31 1cey n GLU 5 Cb 0.45 -0.42 -0.04 0.00 0.27 0.00 0.00 31.44 31.70 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 -3.54 4.48 -0.25 4.31 2.96 -1.26 -4.87 118.68 120.51 1cey s LEU 6 Ca 0.20 2.22 -0.29 0.00 -0.22 0.00 0.00 54.13 56.05 1cey s LEU 6 Cb 0.41 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.48 1cey s LEU 6 CO -0.07 -0.29 1.38 -0.54 -1.32 0.00 0.00 176.35 175.52 1cey s LYS 7 N -0.61 3.94 0.14 1.98 1.02 -1.26 -4.66 119.74 120.29 1cey s LYS 7 Ca 0.50 1.44 0.05 0.00 0.02 0.00 0.00 55.97 57.97 1cey s LYS 7 Cb -0.32 -3.90 -0.04 0.00 -0.52 0.00 0.00 37.83 33.05 1cey s LYS 7 CO 0.38 -1.09 0.10 -0.06 -0.92 0.00 0.00 175.35 173.75 1cey s PHE 8 N 4.43 3.12 -0.25 3.18 0.40 -1.04 -0.99 117.98 126.83 1cey s PHE 8 Ca 0.60 -0.01 -0.03 0.00 -0.60 0.00 0.00 56.93 56.89 1cey s PHE 8 Cb -0.20 -1.53 0.08 0.00 0.51 0.00 0.00 43.02 41.89 1cey s PHE 8 CO 0.23 0.52 0.09 -1.17 0.70 0.00 0.00 175.22 175.59 1cey s LEU 9 N -2.84 1.06 -0.22 -0.37 2.96 -0.61 -2.00 118.68 116.66 1cey s LEU 9 Ca 0.30 -1.12 -0.18 0.00 -0.22 0.00 0.00 54.13 52.90 1cey s LEU 9 Cb -0.11 -0.51 -0.03 0.00 0.50 0.00 0.00 46.19 46.04 1cey s LEU 9 CO 0.22 -0.38 0.53 0.68 -1.32 0.00 0.00 176.35 176.08 1cey s VAL 10 N 1.93 5.09 -0.57 1.68 -7.23 -0.97 -1.62 120.40 118.71 1cey s VAL 10 Ca 0.05 0.95 -0.03 0.00 -1.81 0.00 0.00 61.98 61.14 1cey s VAL 10 Cb -0.17 -3.85 0.15 0.00 0.56 0.00 0.00 36.38 33.08 1cey s VAL 10 CO -0.21 0.14 0.39 -0.69 -0.31 0.00 0.00 175.10 174.42 1cey s VAL 11 N 1.86 3.69 0.37 1.32 1.01 -1.01 -2.31 120.40 125.32 1cey s VAL 11 Ca 0.24 -2.66 0.02 0.00 0.00 0.00 0.00 61.98 59.58 1cey s VAL 11 Cb -0.15 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 1cey s VAL 11 CO 0.09 -0.83 0.09 -0.90 0.00 0.00 0.00 175.10 173.55 1cey n ASP 12 N 3.85 1.80 -1.16 3.32 5.68 -1.20 -3.60 116.55 125.23 1cey n ASP 12 Ca 0.05 -2.84 0.00 0.00 -0.50 0.00 0.00 54.79 51.50 1cey n ASP 12 Cb 0.39 0.70 -0.01 0.00 -1.14 0.00 0.00 41.12 41.06 1cey n ASP 12 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1cey n ASP 13 N -1.50 0.24 -0.11 -1.12 9.92 -1.26 -4.42 116.55 118.30 1cey n ASP 13 Ca -0.09 -1.93 0.12 0.00 -0.53 0.00 0.00 54.79 52.36 1cey n ASP 13 Cb 0.52 -0.10 0.27 0.00 -0.64 0.00 0.00 41.12 41.18 1cey n ASP 13 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1cey n PHE 14 N 0.26 0.00 0.00 1.24 -0.00 -1.26 -4.91 117.46 112.79 1cey n PHE 14 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.40 1cey n PHE 14 Cb 0.92 -0.18 0.00 0.00 -0.00 0.00 0.00 39.48 40.22 1cey n PHE 14 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1cey n SER 15 N -1.12 0.00 0.00 -2.13 7.64 -1.26 -4.38 113.62 112.37 1cey n SER 15 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1cey n SER 15 Cb 0.34 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1cey n SER 15 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1cey n THR 16 N -2.00 0.00 0.29 0.44 5.66 -1.26 -4.83 114.28 112.58 1cey n THR 16 Ca 0.00 0.00 0.16 0.00 -3.05 0.00 0.00 64.05 61.16 1cey n THR 16 Cb 0.00 0.81 0.84 0.00 -1.55 0.00 0.00 70.33 70.43 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 0.00 0.26 1.09 -1.53 -1.96 -3.14 114.93 109.65 1cey h MET 17 Ca 0.00 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 1cey h MET 17 Cb 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.11 1cey h MET 17 CO 0.00 0.06 -0.12 0.07 0.14 0.00 0.00 176.91 177.06 1cey h ARG 18 N 0.00 -0.33 0.00 0.39 -0.00 -1.95 -3.06 114.38 109.42 1cey h ARG 18 Ca -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 59.98 60.00 1cey h ARG 18 Cb 0.29 0.08 0.00 0.00 -0.00 0.00 0.00 29.97 30.34 1cey h ARG 18 CO 0.01 -0.22 0.47 -2.13 -0.00 0.00 0.00 179.97 178.09 1cey n ARG 19 N -4.00 0.05 -0.08 0.08 0.63 -1.19 -0.39 116.66 111.77 1cey n ARG 19 Ca -0.04 0.47 -0.15 0.00 -0.92 0.00 0.00 57.85 57.20 1cey n ARG 19 Cb 0.14 -2.12 -0.13 0.00 0.45 0.00 0.00 32.46 30.80 1cey n ARG 19 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1cey h ILE 20 N 0.00 1.61 0.00 5.15 2.04 -1.51 -3.28 117.51 121.52 1cey h ILE 20 Ca 0.00 -2.30 -0.11 0.00 1.00 0.00 0.00 64.86 63.45 1cey h ILE 20 Cb 0.93 3.14 -0.02 0.00 -0.74 0.00 0.00 36.82 40.13 1cey h ILE 20 CO 0.00 0.55 -0.54 -0.37 0.00 0.00 0.00 178.15 177.78 1cey h VAL 21 N -1.00 1.16 0.03 1.67 -1.51 -0.69 -2.73 116.25 113.19 1cey h VAL 21 Ca -0.06 -2.02 0.02 0.00 -1.23 0.00 0.00 66.70 63.41 1cey h VAL 21 Cb 1.04 2.16 -0.03 0.00 -2.13 0.00 0.00 31.29 32.33 1cey h VAL 21 CO -0.04 0.53 -0.19 0.03 -1.23 0.00 0.00 177.57 176.67 1cey h ARG 22 N 0.00 -0.32 0.81 5.19 3.08 -1.34 0.14 114.38 121.94 1cey h ARG 22 Ca -0.01 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1cey h ARG 22 Cb 1.12 0.07 0.01 0.00 0.08 0.00 0.00 29.97 31.25 1cey h ARG 22 CO 0.07 -0.21 -0.39 -0.97 -1.07 0.00 0.00 179.97 177.40 1cey h ASN 23 N -0.33 -0.93 -0.95 7.04 -0.73 -1.61 -1.76 115.58 116.31 1cey h ASN 23 Ca 0.05 0.02 0.12 0.00 1.87 0.00 0.00 56.30 58.36 1cey h ASN 23 Cb 0.39 0.24 -0.14 0.00 0.27 0.00 0.00 38.32 39.08 1cey h ASN 23 CO -0.16 -0.59 -0.48 0.25 -0.37 0.00 0.00 177.43 176.08 1cey h LEU 24 N -1.23 -1.74 -1.03 0.34 6.46 -1.31 1.25 115.31 118.05 1cey h LEU 24 Ca -0.11 0.31 0.10 0.00 -0.12 0.00 0.00 57.88 58.06 1cey h LEU 24 Cb 0.85 0.83 -0.08 0.00 -0.73 0.00 0.00 40.66 41.53 1cey h LEU 24 CO 0.18 -0.27 0.64 -0.07 -0.62 0.00 0.00 178.44 178.30 1cey h LEU 25 N -0.03 0.97 0.06 2.25 3.38 -0.67 -1.63 115.31 119.64 1cey h LEU 25 Ca 0.25 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1cey h LEU 25 Cb 0.52 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1cey h LEU 25 CO -0.93 0.56 -0.03 0.50 0.09 0.00 0.00 178.44 178.63 1cey h LYS 26 N 1.07 -0.08 -1.00 1.13 3.64 0.23 -0.25 116.57 121.29 1cey h LYS 26 Ca 0.46 0.01 0.24 0.00 -1.27 0.00 0.00 60.65 60.09 1cey h LYS 26 Cb 0.35 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.10 1cey h LYS 26 CO -0.22 0.05 0.64 0.93 -2.27 0.00 0.00 179.45 178.58 1cey h GLU 27 N -0.20 0.46 0.35 1.90 5.08 0.58 -2.07 114.58 120.68 1cey h GLU 27 Ca -0.01 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1cey h GLU 27 Cb 0.18 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1cey h GLU 27 CO 0.01 0.31 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.09 1cey h LEU 28 N 0.48 -0.40 0.00 1.33 -0.00 -0.72 -3.48 115.31 112.51 1cey h LEU 28 Ca 0.57 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.46 1cey h LEU 28 Cb 1.30 0.10 0.00 0.00 -0.00 0.00 0.00 40.66 42.07 1cey h LEU 28 CO -0.29 -0.05 0.00 0.61 -0.00 0.00 0.00 178.44 178.70 1cey n GLY 29 N 0.39 -1.24 3.25 0.83 0.00 -0.17 -5.11 105.19 103.15 1cey n GLY 29 Ca -0.06 0.37 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.24 -0.41 1.61 0.08 -1.05 -4.29 117.98 113.69 1cey s PHE 30 Ca 0.00 0.41 0.09 0.00 0.12 0.00 0.00 56.93 57.55 1cey s PHE 30 Cb 0.00 0.12 0.34 0.00 -0.57 0.00 0.00 43.02 42.91 1cey s PHE 30 CO 0.00 -0.37 0.94 -1.71 -0.10 0.00 0.00 175.22 173.98 1cey n ASN 31 N 1.49 -0.75 -3.12 1.36 4.05 -1.22 -4.05 115.26 113.02 1cey n ASN 31 Ca -0.20 -3.31 0.05 0.00 0.45 0.00 0.00 54.58 51.57 1cey n ASN 31 Cb 0.56 0.65 0.00 0.00 1.23 0.00 0.00 39.78 42.22 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 -0.64 0.35 1.20 3.04 -1.26 -5.02 114.94 110.75 1cey s ASN 32 Ca 0.30 0.03 -0.02 0.00 0.04 0.00 0.00 52.86 53.22 1cey s ASN 32 Cb 0.33 1.34 0.00 0.00 -1.54 0.00 0.00 41.25 41.38 1cey s ASN 32 CO -0.06 -0.11 0.47 0.68 -3.04 0.00 0.00 177.10 175.04 1cey s VAL 33 N 2.83 0.00 0.25 -5.21 -7.23 -1.26 -2.50 120.40 107.28 1cey s VAL 33 Ca 0.24 -1.61 0.04 0.00 -1.81 0.00 0.00 61.98 58.83 1cey s VAL 33 Cb -0.03 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 1cey s VAL 33 CO -0.22 0.00 0.26 -1.84 -0.31 0.00 0.00 175.10 172.98 1cey n GLU 34 N -0.57 0.37 -4.02 4.82 -0.00 -0.85 -4.96 120.64 115.43 1cey n GLU 34 Ca 0.01 -2.41 -0.08 0.00 -0.00 0.00 0.00 57.16 54.68 1cey n GLU 34 Cb 0.61 2.06 -0.10 0.00 -0.00 0.00 0.00 31.44 34.02 1cey n GLU 34 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1cey s GLU 35 N -2.91 0.53 0.11 3.44 2.02 -1.26 -2.28 118.70 118.34 1cey s GLU 35 Ca 0.28 -0.96 -0.01 0.00 0.02 0.00 0.00 54.97 54.30 1cey s GLU 35 Cb 0.01 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.43 1cey s GLU 35 CO 0.20 -0.10 0.16 0.00 0.02 0.00 0.00 175.26 175.54 1cey n ALA 36 N 0.65 -0.16 -1.98 5.21 0.00 -0.98 -4.97 120.51 118.29 1cey n ALA 36 Ca -0.18 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1cey n ALA 36 Cb 0.59 0.40 0.00 0.00 0.00 0.00 0.00 19.45 20.43 1cey n ALA 36 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1cey n GLU 37 N -0.18 0.00 -3.63 0.00 0.28 -1.26 -3.28 120.64 112.58 1cey n GLU 37 Ca -0.00 -0.39 -0.06 0.00 -0.16 0.00 0.00 57.16 56.56 1cey n GLU 37 Cb 0.18 -0.20 -0.06 0.00 1.43 0.00 0.00 31.44 32.80 1cey n GLU 37 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1cey s ASP 38 N -0.38 -0.19 0.30 -1.84 2.15 -1.26 -4.69 116.67 110.76 1cey s ASP 38 Ca 0.00 0.29 0.05 0.00 0.43 0.00 0.00 52.55 53.32 1cey s ASP 38 Cb 0.00 0.26 0.79 0.00 -0.30 0.00 0.00 42.92 43.67 1cey s ASP 38 CO 0.00 -0.12 1.69 1.23 -0.17 0.00 0.00 175.17 177.79 1cey h GLY 39 N 2.85 1.61 1.68 2.66 0.00 -1.92 1.73 103.07 111.67 1cey h GLY 39 Ca -0.19 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 1cey h GLY 39 CO 0.21 -0.31 0.02 -2.08 0.00 0.00 0.00 176.54 174.38 1cey h VAL 40 N 0.38 1.16 -0.04 4.60 2.07 -1.97 0.15 116.25 122.59 1cey h VAL 40 Ca 0.59 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1cey h VAL 40 Cb 1.17 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1cey h VAL 40 CO -0.55 0.21 -0.19 -0.78 0.02 0.00 0.00 177.57 176.28 1cey h ASP 41 N 0.40 0.24 -0.26 0.57 1.82 0.20 -2.84 116.42 116.55 1cey h ASP 41 Ca 0.09 -0.65 0.02 0.00 -0.39 0.00 0.00 57.03 56.10 1cey h ASP 41 Cb 0.24 -0.07 -0.03 0.00 0.68 0.00 0.00 39.33 40.16 1cey h ASP 41 CO 0.00 0.85 0.10 0.00 -1.61 0.00 0.00 179.24 178.58 1cey h ALA 42 N 0.39 0.30 -0.48 -0.78 0.00 0.17 -2.39 119.26 116.46 1cey h ALA 42 Ca -0.01 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1cey h ALA 42 Cb 0.84 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.54 1cey h ALA 42 CO 0.04 -0.31 -0.14 1.25 0.00 0.00 0.00 179.25 180.09 1cey h LEU 43 N 0.22 -0.52 -0.99 0.00 7.12 -0.74 1.30 115.31 121.70 1cey h LEU 43 Ca 0.11 0.15 0.10 0.00 0.13 0.00 0.00 57.88 58.38 1cey h LEU 43 Cb 0.07 0.33 -0.08 0.00 -0.53 0.00 0.00 40.66 40.45 1cey h LEU 43 CO -0.11 -0.18 0.63 0.78 -0.13 0.00 0.00 178.44 179.43 1cey h ASN 44 N -0.03 0.95 0.68 1.25 2.35 -1.18 -2.56 115.58 117.04 1cey h ASN 44 Ca 0.23 0.04 -0.18 0.00 -0.55 0.00 0.00 56.30 55.84 1cey h ASN 44 Cb 0.38 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 1cey h ASN 44 CO -0.51 0.54 -1.44 0.29 -1.65 0.00 0.00 177.43 174.65 1cey n LYS 45 N -4.59 0.62 0.32 0.81 4.01 -0.25 -3.87 118.16 115.22 1cey n LYS 45 Ca 0.18 0.24 0.20 0.00 -0.51 0.00 0.00 58.31 58.42 1cey n LYS 45 Cb 0.30 -1.81 1.09 0.00 -0.51 0.00 0.00 35.03 34.10 1cey n LYS 45 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1cey h LEU 46 N 0.00 0.00 -0.63 -0.35 -0.00 0.20 0.22 115.31 114.76 1cey h LEU 46 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 1cey h LEU 46 Cb 1.64 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.30 1cey h LEU 46 CO 0.05 0.00 -0.47 1.67 -0.00 0.00 0.00 178.44 179.69 1cey n GLN 47 N -2.96 0.84 -0.08 1.13 7.27 -1.19 -3.47 117.38 118.91 1cey n GLN 47 Ca -0.03 -0.63 -0.10 0.00 0.07 0.00 0.00 57.00 56.31 1cey n GLN 47 Cb 0.13 -1.49 -0.07 0.00 2.41 0.00 0.00 30.24 31.22 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 3.64 -0.67 0.00 1.69 0.00 -0.72 -3.38 119.26 119.83 1cey h ALA 48 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1cey h ALA 48 Cb 0.62 0.99 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1cey h ALA 48 CO 0.00 -0.85 0.00 0.41 0.00 0.00 0.00 179.25 178.81 1cey n GLY 49 N -1.28 -1.36 1.17 0.00 0.00 -1.26 -5.05 105.19 97.41 1cey n GLY 49 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1cey n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cey n GLY 50 N 0.00 -0.28 3.60 -0.02 0.00 -1.23 -4.90 105.19 102.35 1cey n GLY 50 Ca 0.00 -0.26 -0.46 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.50 2.05 0.53 1.61 4.02 -1.26 -4.75 117.16 118.87 1cey n TYR 51 Ca 0.00 -0.03 0.03 0.00 -0.01 0.00 0.00 57.90 57.90 1cey n TYR 51 Cb 0.11 -2.67 0.20 0.00 -0.02 0.00 0.00 39.34 36.96 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 5.40 -0.27 3.63 2.72 0.00 -1.04 -4.59 105.19 111.05 1cey n GLY 52 Ca 0.29 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.67 -0.10 1.61 2.19 -0.16 -3.87 117.98 114.98 1cey s PHE 53 Ca 0.10 1.61 -0.02 0.00 0.33 0.00 0.00 56.93 58.95 1cey s PHE 53 Cb 0.05 0.33 0.04 0.00 -1.31 0.00 0.00 43.02 42.12 1cey s PHE 53 CO 0.08 -0.32 0.03 0.08 1.83 0.00 0.00 175.22 176.91 1cey s VAL 54 N 0.41 0.27 -0.51 3.12 1.01 -1.00 -1.58 120.40 122.13 1cey s VAL 54 Ca 0.01 -0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 1cey s VAL 54 Cb -0.05 -0.58 0.13 0.00 0.00 0.00 0.00 36.38 35.88 1cey s VAL 54 CO -0.03 0.09 0.42 -0.63 0.00 0.00 0.00 175.10 174.94 1cey s ILE 55 N 2.00 4.66 0.21 2.22 1.01 -0.64 -2.19 121.20 128.47 1cey s ILE 55 Ca 0.03 -1.68 0.08 0.00 0.00 0.00 0.00 60.65 59.08 1cey s ILE 55 Cb -0.14 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1cey s ILE 55 CO -0.06 -0.82 0.04 -0.94 0.00 0.00 0.00 174.94 173.16 1cey s SER 56 N 3.07 4.88 0.45 3.58 1.04 -1.26 -2.41 113.70 123.05 1cey s SER 56 Ca 0.05 -0.41 -0.01 0.00 0.48 0.00 0.00 55.95 56.05 1cey s SER 56 Cb -0.28 -1.06 -0.01 0.00 0.10 0.00 0.00 66.02 64.77 1cey s SER 56 CO 0.01 0.05 0.70 -0.62 0.98 0.00 0.00 173.24 174.35 1cey s ASP 57 N -3.26 5.95 -0.39 7.02 2.15 -1.24 -1.80 116.67 125.10 1cey s ASP 57 Ca 0.29 0.48 -0.17 0.00 0.43 0.00 0.00 52.55 53.58 1cey s ASP 57 Cb -0.08 -1.76 0.01 0.00 -0.30 0.00 0.00 42.92 40.78 1cey s ASP 57 CO 0.20 -0.66 0.43 0.86 -0.17 0.00 0.00 175.17 175.83 1cey s TRP 58 N -2.60 3.18 -0.08 -5.34 -0.11 -1.12 -4.28 118.94 108.59 1cey s TRP 58 Ca 0.47 -0.22 -0.03 0.00 1.22 0.00 0.00 56.10 57.54 1cey s TRP 58 Cb -0.10 -2.84 0.01 0.00 -1.50 0.00 0.00 33.47 29.04 1cey s TRP 58 CO 0.40 -0.61 0.06 -1.71 -4.62 0.00 0.00 176.95 170.46 1cey n ASN 59 N 5.57 -2.29 0.00 5.86 2.85 -1.26 -4.88 115.26 121.10 1cey n ASN 59 Ca -0.07 0.45 0.00 0.00 -0.11 0.00 0.00 54.58 54.85 1cey n ASN 59 Cb 0.48 -2.41 0.00 0.00 1.24 0.00 0.00 39.78 39.09 1cey n ASN 59 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1cey n MET 60 N 0.45 0.00 0.08 1.20 2.81 -1.26 -4.97 117.12 115.42 1cey n MET 60 Ca -0.09 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.77 1cey n MET 60 Cb 0.15 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.64 1cey n MET 60 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1cey h PRO 61 N 0.00 -0.19 -2.39 0.03 0.14 -1.89 -3.47 132.00 124.23 1cey h PRO 61 Ca 0.00 0.01 -0.06 0.00 0.14 0.00 0.00 66.00 66.10 1cey h PRO 61 Cb 0.00 0.04 -0.25 0.00 0.14 0.00 0.00 31.00 30.94 1cey h PRO 61 CO 0.00 -0.13 -0.23 0.54 0.14 0.00 0.00 178.00 178.32 1cey s ASN 62 N -2.78 -0.61 0.00 1.44 2.20 -1.26 -4.87 114.94 109.06 1cey s ASN 62 Ca -0.03 1.14 0.00 0.00 -0.94 0.00 0.00 52.86 53.03 1cey s ASN 62 Cb 0.00 1.25 0.00 0.00 -2.00 0.00 0.00 41.25 40.51 1cey s ASN 62 CO 0.09 -0.22 0.00 0.23 -2.94 0.00 0.00 177.10 174.26 1cey n MET 63 N 4.74 0.00 -3.77 3.55 2.81 -1.26 -4.37 117.12 118.82 1cey n MET 63 Ca -0.17 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.59 1cey n MET 63 Cb 0.54 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.95 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 -4.00 -0.27 0.00 7.83 1.01 -1.26 -4.53 116.67 115.45 1cey s ASP 64 Ca 0.00 0.41 0.08 0.00 0.71 0.00 0.00 52.55 53.75 1cey s ASP 64 Cb 0.00 0.52 0.48 0.00 1.01 0.00 0.00 42.92 44.92 1cey s ASP 64 CO 0.00 -0.24 0.90 0.61 0.21 0.00 0.00 175.17 176.64 1cey n GLY 65 N 2.26 -0.30 0.22 0.21 0.00 -1.26 -3.36 105.19 102.96 1cey n GLY 65 Ca -0.16 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.45 -1.74 0.99 6.46 -1.91 0.10 115.31 118.76 1cey h LEU 66 Ca 0.00 0.02 0.37 0.00 -0.12 0.00 0.00 57.88 58.14 1cey h LEU 66 Cb 0.00 0.12 -0.08 0.00 -0.73 0.00 0.00 40.66 39.97 1cey h LEU 66 CO 0.00 -0.21 0.88 -0.08 -0.62 0.00 0.00 178.44 178.41 1cey h GLU 67 N -0.75 0.11 0.14 1.25 4.81 -1.93 0.79 114.58 118.99 1cey h GLU 67 Ca -0.05 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1cey h GLU 67 Cb 0.41 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1cey h GLU 67 CO 0.09 0.07 -0.07 1.25 -0.73 0.00 0.00 179.01 179.63 1cey h LEU 68 N 0.11 -0.16 0.84 1.64 5.85 -1.66 -1.16 115.31 120.78 1cey h LEU 68 Ca 0.66 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 59.08 1cey h LEU 68 Cb 2.32 0.04 0.00 0.00 0.37 0.00 0.00 40.66 43.39 1cey h LEU 68 CO -0.15 0.20 -0.48 0.25 -0.34 0.00 0.00 178.44 177.92 1cey h LEU 69 N -0.53 -1.18 -1.53 2.25 6.46 0.24 -1.64 115.31 119.38 1cey h LEU 69 Ca -0.02 0.06 0.43 0.00 -0.12 0.00 0.00 57.88 58.23 1cey h LEU 69 Cb 0.41 0.33 -0.11 0.00 -0.73 0.00 0.00 40.66 40.56 1cey h LEU 69 CO 0.03 -0.75 0.92 0.50 -0.62 0.00 0.00 178.44 178.51 1cey h LYS 70 N -1.22 0.09 -0.73 1.25 3.64 -0.29 0.91 116.57 120.22 1cey h LYS 70 Ca -0.11 -0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.39 1cey h LYS 70 Cb 0.96 -0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.67 1cey h LYS 70 CO 0.14 0.06 0.30 1.15 -2.27 0.00 0.00 179.45 178.83 1cey h THR 71 N 0.09 0.69 -0.04 1.00 2.02 -0.19 2.37 112.91 118.86 1cey h THR 71 Ca 0.80 -0.16 -0.10 0.00 0.77 0.00 0.00 66.41 67.73 1cey h THR 71 Cb 2.63 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 1cey h THR 71 CO -0.32 0.08 -0.42 0.40 0.37 0.00 0.00 175.52 175.63 1cey h ILE 72 N 0.46 1.31 -0.00 3.11 5.03 0.83 -2.42 117.51 125.83 1cey h ILE 72 Ca 0.40 -1.49 0.00 0.00 -0.12 0.00 0.00 64.86 63.65 1cey h ILE 72 Cb 0.57 1.76 0.00 0.00 -3.03 0.00 0.00 36.82 36.12 1cey h ILE 72 CO -0.38 0.43 -0.35 -1.14 -0.68 0.00 0.00 178.15 176.04 1cey n ARG 73 N -4.03 0.52 0.07 2.37 0.63 0.16 -3.58 116.66 112.80 1cey n ARG 73 Ca -0.02 -0.30 -0.13 0.00 -0.92 0.00 0.00 57.85 56.48 1cey n ARG 73 Cb 0.46 -1.49 -0.08 0.00 0.45 0.00 0.00 32.46 31.80 1cey n ARG 73 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1cey h ALA 74 N 3.42 -0.15 -3.00 5.13 0.00 0.43 -3.34 119.26 121.74 1cey h ALA 74 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1cey h ALA 74 Cb 0.50 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1cey h ALA 74 CO 0.00 -0.48 0.00 -3.47 0.00 0.00 0.00 179.25 175.30 1cey n ASP 75 N -5.06 0.00 0.00 0.00 -0.08 -1.25 -4.97 116.55 105.19 1cey n ASP 75 Ca -0.08 0.33 0.00 0.00 -1.51 0.00 0.00 54.79 53.53 1cey n ASP 75 Cb 0.17 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.63 1cey n ASP 75 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1cey n GLY 76 N -0.55 0.75 0.02 0.27 0.00 -1.25 -4.90 105.19 99.53 1cey n GLY 76 Ca 0.00 0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.22 1cey n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey n ALA 77 N 0.00 2.63 1.14 4.61 0.00 -1.26 -3.04 120.51 124.59 1cey n ALA 77 Ca 0.00 -0.18 0.13 0.00 0.00 0.00 0.00 53.44 53.39 1cey n ALA 77 Cb 0.00 -1.39 0.32 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.35 0.49 -1.24 0.00 2.81 -1.26 -4.52 117.12 112.04 1cey n MET 78 Ca 0.10 -0.29 -0.37 0.00 -1.81 0.00 0.00 57.70 55.33 1cey n MET 78 Cb 0.31 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.30 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 -1.01 4.60 0.00 7.83 7.64 -1.17 -3.53 113.62 127.98 1cey n SER 79 Ca 0.09 -2.62 0.00 0.00 1.01 0.00 0.00 58.87 57.36 1cey n SER 79 Cb 0.34 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 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 5.61 0.44 -1.70 -0.43 0.00 -1.26 -5.05 120.51 118.12 1cey n ALA 80 Ca 0.54 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.56 1cey n ALA 80 Cb 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 1cey n ALA 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1cey s LEU 81 N -0.84 4.40 0.67 0.00 1.43 -1.23 -4.92 118.68 118.19 1cey s LEU 81 Ca 0.00 2.78 -0.17 0.00 -1.03 0.00 0.00 54.13 55.70 1cey s LEU 81 Cb 0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1cey s LEU 81 CO 0.00 -1.02 1.28 -2.65 0.23 0.00 0.00 176.35 174.19 1cey n PRO 82 N 5.75 0.99 -4.34 1.29 -0.01 -1.25 -4.88 135.00 132.55 1cey n PRO 82 Ca 0.18 0.40 -0.19 0.00 -0.01 0.00 0.00 63.50 63.88 1cey n PRO 82 Cb 0.38 -2.52 -0.15 0.00 -0.01 0.00 0.00 33.50 31.20 1cey n PRO 82 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 175.50 175.57 1cey s VAL 83 N -1.48 0.69 -0.67 -1.45 1.01 -1.24 -2.38 120.40 114.88 1cey s VAL 83 Ca 0.82 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.50 1cey s VAL 83 Cb -0.37 -0.60 0.29 0.00 0.00 0.00 0.00 36.38 35.70 1cey s VAL 83 CO 0.42 0.21 0.94 -0.11 0.00 0.00 0.00 175.10 176.56 1cey n LEU 84 N 3.11 4.45 -4.28 3.92 7.94 -0.93 0.55 117.00 131.76 1cey n LEU 84 Ca -0.16 -5.52 -0.34 0.00 -1.11 0.00 0.00 56.01 48.88 1cey n LEU 84 Cb 0.56 -0.70 0.09 0.00 0.53 0.00 0.00 43.42 43.90 1cey n LEU 84 CO 0.25 2.14 -0.50 0.23 -1.11 0.00 0.00 177.39 178.40 1cey n MET 85 N 0.42 -0.18 -3.76 1.96 2.81 0.89 -4.39 117.12 114.87 1cey n MET 85 Ca 0.31 -0.03 -0.13 0.00 -1.81 0.00 0.00 57.70 56.05 1cey n MET 85 Cb 0.39 -1.57 -0.13 0.00 -0.71 0.00 0.00 33.22 31.20 1cey n MET 85 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1cey s VAL 86 N -2.25 -0.03 0.19 2.03 0.11 -0.75 -1.50 120.40 118.20 1cey s VAL 86 Ca 0.51 0.12 -0.11 0.00 -2.93 0.00 0.00 61.98 59.57 1cey s VAL 86 Cb -0.20 -0.30 -0.00 0.00 -1.53 0.00 0.00 36.38 34.35 1cey s VAL 86 CO 0.72 0.05 0.38 0.28 -3.33 0.00 0.00 175.10 173.20 1cey s THR 87 N 0.91 0.04 -0.02 5.04 -1.32 -1.00 -2.80 115.64 116.48 1cey s THR 87 Ca -0.07 -1.28 -0.01 0.00 -1.21 0.00 0.00 61.69 59.12 1cey s THR 87 Cb -0.08 -1.90 -0.00 0.00 -1.51 0.00 0.00 72.50 69.01 1cey s THR 87 CO -0.05 -0.17 -0.02 0.00 -2.21 0.00 0.00 174.62 172.16 1cey h ALA 88 N 2.40 0.00 -1.74 11.08 0.00 -1.89 0.48 119.26 129.59 1cey h ALA 88 Ca -0.30 -0.22 -0.63 0.00 0.00 0.00 0.00 54.91 53.77 1cey h ALA 88 Cb 1.24 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 1cey h ALA 88 CO 0.43 0.06 0.49 -1.21 0.00 0.00 0.00 179.25 179.02 1cey s GLU 89 N -1.18 3.16 -0.69 0.00 0.41 -1.26 -4.63 118.70 114.52 1cey s GLU 89 Ca -0.02 -0.71 -0.22 0.00 -0.41 0.00 0.00 54.97 53.61 1cey s GLU 89 Cb 0.00 -4.17 0.08 0.00 -1.78 0.00 0.00 34.13 28.26 1cey s GLU 89 CO 0.03 -1.67 0.97 0.00 -0.49 0.00 0.00 175.26 174.10 1cey s ALA 90 N 3.87 3.15 1.00 5.21 0.00 -1.26 -5.02 121.76 128.70 1cey s ALA 90 Ca 0.23 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.23 1cey s ALA 90 Cb -0.16 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.09 1cey s ALA 90 CO 0.12 -2.78 0.00 1.17 0.00 0.00 0.00 175.76 174.27 1cey n LYS 91 N 7.53 2.03 0.00 0.00 3.00 -1.26 -4.98 118.16 124.49 1cey n LYS 91 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1cey n LYS 91 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.49 1cey n LYS 91 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1cey n LYS 92 N 0.00 0.00 0.00 1.64 2.85 -1.26 -4.45 118.16 116.94 1cey n LYS 92 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1cey n LYS 92 Cb 0.00 -0.03 0.00 0.00 -0.65 0.00 0.00 35.03 34.35 1cey n LYS 92 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1cey n GLU 93 N -2.29 0.00 -0.09 -1.58 0.00 -1.26 -0.70 120.64 114.71 1cey n GLU 93 Ca 0.00 0.20 -0.22 0.00 0.00 0.00 0.00 57.16 57.15 1cey n GLU 93 Cb 0.00 -1.75 -0.12 0.00 0.00 0.00 0.00 31.44 29.57 1cey n GLU 93 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 1cey h ASN 94 N 0.00 0.04 -0.11 4.31 -1.24 -1.97 -3.23 115.58 113.38 1cey h ASN 94 Ca 0.00 -0.57 -0.02 0.00 0.71 0.00 0.00 56.30 56.43 1cey h ASN 94 Cb 0.50 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.52 1cey h ASN 94 CO 0.00 1.51 0.03 0.40 -1.29 0.00 0.00 177.43 178.09 1cey h ILE 95 N -0.89 1.10 0.36 2.57 2.04 -1.13 -1.73 117.51 119.83 1cey h ILE 95 Ca -0.35 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1cey h ILE 95 Cb 1.37 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1cey h ILE 95 CO -0.17 0.12 -0.17 0.40 0.00 0.00 0.00 178.15 178.32 1cey h ILE 96 N 0.25 0.00 -0.75 -0.67 2.04 -1.64 -2.53 117.51 114.21 1cey h ILE 96 Ca 0.06 -0.29 0.17 0.00 1.00 0.00 0.00 64.86 65.80 1cey h ILE 96 Cb 0.12 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.07 1cey h ILE 96 CO -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 178.14 1cey h ALA 97 N -1.49 0.75 -0.43 1.87 0.00 -1.56 0.18 119.26 118.57 1cey h ALA 97 Ca -0.05 0.24 0.08 0.00 0.00 0.00 0.00 54.91 55.19 1cey h ALA 97 Cb 0.37 0.43 -0.10 0.00 0.00 0.00 0.00 17.79 18.49 1cey h ALA 97 CO 0.08 -0.42 -0.32 0.00 0.00 0.00 0.00 179.25 178.59 1cey h ALA 98 N 1.70 -0.13 -0.66 0.00 0.00 -1.33 0.08 119.26 118.93 1cey h ALA 98 Ca 0.40 0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.54 1cey h ALA 98 Cb 0.70 0.70 -0.08 0.00 0.00 0.00 0.00 17.79 19.11 1cey h ALA 98 CO -0.67 -0.70 0.25 0.00 0.00 0.00 0.00 179.25 178.13 1cey h ALA 99 N 0.84 0.88 0.00 0.00 0.00 -0.21 0.40 119.26 121.16 1cey h ALA 99 Ca 0.19 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1cey h ALA 99 Cb 0.53 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1cey h ALA 99 CO -0.56 -0.19 0.50 1.96 0.00 0.00 0.00 179.25 180.96 1cey h GLN 100 N 0.43 0.00 0.00 0.00 7.50 -0.37 -3.36 115.11 119.31 1cey h GLN 100 Ca 0.34 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.49 1cey h GLN 100 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.99 1cey h GLN 100 CO -0.34 0.00 0.00 0.00 -1.50 0.00 0.00 178.83 176.99 1cey n ALA 101 N -1.75 0.00 -0.30 3.87 0.00 0.14 -5.01 120.51 117.46 1cey n ALA 101 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1cey n ALA 101 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1cey n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cey n GLY 102 N 5.00 -0.04 0.05 0.00 0.00 -1.21 -4.77 105.19 104.22 1cey n GLY 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cey n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey n ALA 103 N -0.17 1.15 -0.28 4.61 0.00 -1.17 -3.59 120.51 121.05 1cey n ALA 103 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.66 1cey n ALA 103 Cb 0.07 -0.79 0.36 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.32 0.05 -4.53 0.00 7.64 -1.26 -3.89 113.62 111.32 1cey n SER 104 Ca 0.00 0.57 -0.34 0.00 1.01 0.00 0.00 58.87 60.11 1cey n SER 104 Cb 0.00 -0.28 -0.12 0.00 -1.01 0.00 0.00 64.21 62.80 1cey n SER 104 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1cey s GLY 105 N -3.51 1.75 -0.11 0.23 0.00 0.19 -4.97 107.32 100.91 1cey s GLY 105 Ca -0.03 -0.81 -0.04 0.00 0.00 0.00 0.00 44.72 43.84 1cey s GLY 105 CO 0.41 -0.10 0.23 -0.47 0.00 0.00 0.00 173.10 173.18 1cey s TYR 106 N 0.26 -0.35 -0.02 1.90 5.04 -1.25 -0.08 117.35 122.85 1cey s TYR 106 Ca -0.02 0.85 0.05 0.00 -2.44 0.00 0.00 57.07 55.51 1cey s TYR 106 Cb -0.14 -0.08 -0.03 0.00 0.35 0.00 0.00 41.96 42.07 1cey s TYR 106 CO 0.02 -0.31 -0.16 0.54 -1.34 0.00 0.00 175.55 174.30 1cey s VAL 107 N 2.19 2.89 -0.61 3.14 0.11 -0.56 -4.96 120.40 122.60 1cey s VAL 107 Ca -0.00 -0.89 -0.20 0.00 -2.93 0.00 0.00 61.98 57.96 1cey s VAL 107 Cb -0.12 -2.15 0.09 0.00 -1.53 0.00 0.00 36.38 32.67 1cey s VAL 107 CO -0.08 0.52 0.80 0.54 -3.33 0.00 0.00 175.10 173.55 1cey s VAL 108 N -0.78 4.64 0.88 2.04 0.11 -1.26 -2.38 120.40 123.65 1cey s VAL 108 Ca 0.12 -0.69 -0.10 0.00 -2.93 0.00 0.00 61.98 58.38 1cey s VAL 108 Cb -0.11 -4.54 0.12 0.00 -1.53 0.00 0.00 36.38 30.33 1cey s VAL 108 CO 0.02 -1.21 1.14 -1.59 -3.33 0.00 0.00 175.10 170.12 1cey s LYS 109 N 3.20 1.31 0.42 1.54 -2.85 0.17 -4.41 119.74 119.12 1cey s LYS 109 Ca 0.16 1.47 -0.23 0.00 -1.00 0.00 0.00 55.97 56.38 1cey s LYS 109 Cb -0.21 -1.77 -0.09 0.00 -2.06 0.00 0.00 37.83 33.70 1cey s LYS 109 CO 0.08 -2.40 1.02 -1.25 0.10 0.00 0.00 175.35 172.90 1cey s PRO 110 N -4.69 4.11 0.20 1.78 0.05 -1.26 -4.34 135.00 130.85 1cey s PRO 110 Ca 0.66 1.38 0.08 0.00 0.05 0.00 0.00 61.00 63.16 1cey s PRO 110 Cb -0.22 -2.37 -0.05 0.00 0.05 0.00 0.00 34.50 31.92 1cey s PRO 110 CO 0.57 -0.16 -0.15 -0.59 0.05 0.00 0.00 177.00 176.72 1cey s PHE 111 N -1.84 1.72 0.13 0.56 -0.12 -1.26 -5.10 117.98 112.06 1cey s PHE 111 Ca 0.61 -0.55 0.03 0.00 -0.05 0.00 0.00 56.93 56.97 1cey s PHE 111 Cb -0.18 -0.81 -0.04 0.00 -0.63 0.00 0.00 43.02 41.37 1cey s PHE 111 CO 0.22 0.35 0.18 0.99 -0.05 0.00 0.00 175.22 176.91 1cey s THR 112 N -2.79 4.87 -0.12 -4.49 2.01 -1.26 -4.89 115.64 108.97 1cey s THR 112 Ca 0.21 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.47 1cey s THR 112 Cb -0.02 -3.45 0.06 0.00 0.01 0.00 0.00 72.50 69.10 1cey s THR 112 CO 0.07 -0.02 0.98 0.00 -0.69 0.00 0.00 174.62 174.96 1cey n ALA 113 N -0.14 0.46 0.08 7.40 0.00 -1.26 0.10 120.51 127.15 1cey n ALA 113 Ca -0.07 0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.20 1cey n ALA 113 Cb 0.53 -0.53 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 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 0.89 -0.10 0.57 0.00 0.00 -1.98 -1.79 119.26 116.85 1cey h ALA 114 Ca 0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.14 1cey h ALA 114 Cb 0.72 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1cey h ALA 114 CO 0.00 0.49 -0.27 1.79 0.00 0.00 0.00 179.25 181.25 1cey h THR 115 N -0.17 0.00 -1.02 0.00 1.35 0.30 0.10 112.91 113.48 1cey h THR 115 Ca -0.18 -0.41 0.25 0.00 -0.55 0.00 0.00 66.41 65.52 1cey h THR 115 Cb 1.80 0.00 -0.10 0.00 -1.73 0.00 0.00 68.15 68.12 1cey h THR 115 CO 0.19 0.00 0.64 0.25 -0.25 0.00 0.00 175.52 176.35 1cey h LEU 116 N -1.18 0.56 -0.08 3.87 5.85 -1.58 0.58 115.31 123.33 1cey h LEU 116 Ca -0.08 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1cey h LEU 116 Cb 0.59 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 1cey h LEU 116 CO 0.13 0.12 0.01 -0.08 -0.34 0.00 0.00 178.44 178.28 1cey h GLU 117 N 0.50 0.13 0.05 1.25 4.81 -1.13 -2.53 114.58 117.67 1cey h GLU 117 Ca 0.60 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.80 1cey h GLU 117 Cb 1.33 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 1cey h GLU 117 CO -0.36 0.35 -0.08 1.49 -0.73 0.00 0.00 179.01 179.68 1cey h GLU 118 N -0.11 -0.13 -0.84 1.92 4.81 0.15 0.22 114.58 120.61 1cey h GLU 118 Ca 0.02 0.01 0.20 0.00 -0.13 0.00 0.00 59.36 59.46 1cey h GLU 118 Cb 0.28 0.03 -0.15 0.00 0.63 0.00 0.00 28.75 29.54 1cey h GLU 118 CO 0.00 -0.09 -0.00 0.87 -0.73 0.00 0.00 179.01 179.06 1cey h LYS 119 N -0.14 0.07 -0.53 1.92 6.56 -1.51 0.40 116.57 123.33 1cey h LYS 119 Ca -0.01 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1cey h LYS 119 Cb 0.13 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 31.75 1cey h LYS 119 CO -0.02 0.05 0.33 1.25 -2.06 0.00 0.00 179.45 179.00 1cey h LEU 120 N 0.08 0.63 -1.06 2.94 6.46 -1.08 -1.00 115.31 122.27 1cey h LEU 120 Ca 0.47 -0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 58.11 1cey h LEU 120 Cb 0.86 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.62 1cey h LEU 120 CO -0.76 0.48 -0.11 -1.13 -0.62 0.00 0.00 178.44 176.31 1cey h ASN 121 N 0.71 0.52 0.17 1.25 -1.24 0.30 0.14 115.58 117.44 1cey h ASN 121 Ca 0.19 -0.13 -0.15 0.00 0.71 0.00 0.00 56.30 56.92 1cey h ASN 121 Cb -0.04 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 38.86 1cey h ASN 121 CO -0.04 0.67 -0.56 0.50 -1.29 0.00 0.00 177.43 176.71 1cey h LYS 122 N 0.50 0.41 0.22 6.67 3.64 -0.15 -2.59 116.57 125.27 1cey h LYS 122 Ca 0.09 -0.26 -0.30 0.00 -1.27 0.00 0.00 60.65 58.92 1cey h LYS 122 Cb 0.49 0.03 0.03 0.00 -0.41 0.00 0.00 32.23 32.38 1cey h LYS 122 CO 0.03 0.86 -1.30 0.82 -2.27 0.00 0.00 179.45 177.58 1cey h ILE 123 N 0.31 1.34 0.00 2.00 2.04 -0.87 -3.25 117.51 119.08 1cey h ILE 123 Ca 0.00 -2.65 -0.02 0.00 1.00 0.00 0.00 64.86 63.19 1cey h ILE 123 Cb 1.08 3.09 -0.00 0.00 -0.74 0.00 0.00 36.82 40.24 1cey h ILE 123 CO 0.10 0.78 -0.09 -0.26 0.00 0.00 0.00 178.15 178.68 1cey h PHE 124 N -0.00 0.00 -0.18 1.37 -1.00 -0.75 -0.30 116.94 116.07 1cey h PHE 124 Ca -0.23 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.60 1cey h PHE 124 Cb 2.02 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.58 1cey h PHE 124 CO 0.15 0.09 0.13 1.49 -1.61 0.00 0.00 178.31 178.56 1cey h GLU 125 N 0.00 0.00 0.00 1.51 4.57 -1.49 0.31 114.58 119.47 1cey h GLU 125 Ca -0.00 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.96 1cey h GLU 125 Cb 0.25 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1cey h GLU 125 CO 0.01 0.00 -1.14 -0.22 -1.18 0.00 0.00 179.01 176.48 1cey h LYS 126 N 0.00 0.00 0.00 1.92 1.63 -1.21 -3.17 116.57 115.74 1cey h LYS 126 Ca 0.09 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.87 1cey h LYS 126 Cb 0.35 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1cey h LYS 126 CO -0.00 0.81 -0.10 1.25 -3.45 0.00 0.00 179.45 177.96 1cey h LEU 127 N 0.00 0.00 0.00 5.20 5.85 -0.21 -3.46 115.31 122.70 1cey h LEU 127 Ca -0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1cey h LEU 127 Cb 1.79 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.82 1cey h LEU 127 CO 0.11 0.10 0.00 0.61 -0.34 0.00 0.00 178.44 178.91 1cey n GLY 128 N -0.12 0.76 0.76 3.75 0.00 -0.16 -5.09 105.19 105.09 1cey n GLY 128 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35