#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cej n ILE 2 N 0.00 0.51 0.00 -1.44 2.08 -1.26 -4.55 119.36 114.69 1cej n ILE 2 Ca 0.00 -0.43 0.00 0.00 0.56 0.00 0.00 62.75 62.88 1cej n ILE 2 Cb 0.00 -0.34 0.00 0.00 -0.75 0.00 0.00 39.64 38.55 1cej n ILE 2 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1cej n SER 3 N -2.25 0.00 -3.65 4.38 7.64 -1.26 -3.80 113.62 114.68 1cej n SER 3 Ca -0.13 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.74 1cej n SER 3 Cb 0.68 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.81 1cej n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cej s GLN 4 N 0.00 0.05 0.00 1.43 -2.07 -1.26 -4.76 119.66 113.05 1cej s GLN 4 Ca 0.00 0.07 -0.02 0.00 -1.82 0.00 0.00 55.36 53.59 1cej s GLN 4 Cb 0.00 0.02 -0.10 0.00 -1.09 0.00 0.00 33.01 31.84 1cej s GLN 4 CO 0.00 -0.01 2.29 -2.39 -1.32 0.00 0.00 175.29 173.86 1cej n HIS 5 N 2.20 0.00 -2.94 9.60 1.44 -1.25 -4.10 115.22 120.18 1cej n HIS 5 Ca -0.13 -1.01 -0.40 0.00 -2.01 0.00 0.00 57.72 54.17 1cej n HIS 5 Cb 0.57 -0.88 -0.06 0.00 0.12 0.00 0.00 29.99 29.74 1cej n HIS 5 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 1cej s GLN 6 N 0.81 4.62 -0.16 -1.40 0.74 -1.20 -4.08 119.66 118.98 1cej s GLN 6 Ca 0.25 1.22 -0.06 0.00 0.05 0.00 0.00 55.36 56.82 1cej s GLN 6 Cb 0.12 -3.27 -0.04 0.00 1.10 0.00 0.00 33.01 30.92 1cej s GLN 6 CO 0.00 0.54 0.04 0.00 -0.55 0.00 0.00 175.29 175.32 1cej s VAL 8 N 0.06 4.32 -0.66 0.00 1.01 -1.26 -4.01 120.40 119.86 1cej s VAL 8 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1cej s VAL 8 Cb -0.12 -4.73 0.00 0.00 0.00 0.00 0.00 36.38 31.53 1cej s VAL 8 CO 0.01 -1.51 0.00 1.17 0.00 0.00 0.00 175.10 174.77 1cej n LYS 9 N 7.72 -1.67 -3.67 2.72 4.81 -1.26 -4.93 118.16 121.88 1cej n LYS 9 Ca 0.01 0.69 -0.37 0.00 -0.87 0.00 0.00 58.31 57.77 1cej n LYS 9 Cb 0.46 -5.04 -0.10 0.00 0.02 0.00 0.00 35.03 30.37 1cej n LYS 9 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1cej s LYS 10 N -2.41 4.02 -0.20 1.64 2.20 -1.26 -5.07 119.74 118.66 1cej s LYS 10 Ca 0.00 -0.30 -0.00 0.00 -0.36 0.00 0.00 55.97 55.31 1cej s LYS 10 Cb 0.00 -3.54 0.01 0.00 -1.51 0.00 0.00 37.83 32.80 1cej s LYS 10 CO 0.00 0.01 -0.14 -0.65 -0.36 0.00 0.00 175.35 174.20 1cej s GLN 11 N 1.21 3.06 0.71 4.03 -0.21 -1.26 -4.73 119.66 122.46 1cej s GLN 11 Ca 0.07 -0.80 -0.08 0.00 0.02 0.00 0.00 55.36 54.57 1cej s GLN 11 Cb -0.14 -2.73 0.06 0.00 1.00 0.00 0.00 33.01 31.19 1cej s GLN 11 CO 0.06 -0.23 1.03 0.00 -2.12 0.00 0.00 175.29 174.03 1cej s PRO 13 N -5.28 3.13 1.25 0.00 0.04 -1.26 -5.04 135.00 127.84 1cej s PRO 13 Ca 0.60 -0.23 -0.18 0.00 0.04 0.00 0.00 61.00 61.22 1cej s PRO 13 Cb -0.11 -2.46 0.27 0.00 0.04 0.00 0.00 34.50 32.25 1cej s PRO 13 CO 0.46 -0.35 0.62 1.04 0.04 0.00 0.00 177.00 178.81 1cej n GLN 14 N -2.23 -3.26 -2.32 4.56 6.02 -1.26 -2.88 117.38 116.01 1cej n GLN 14 Ca 0.02 -0.95 -0.16 0.00 -0.01 0.00 0.00 57.00 55.89 1cej n GLN 14 Cb 0.57 -1.82 -0.01 0.00 1.02 0.00 0.00 30.24 30.00 1cej n GLN 14 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1cej n ASN 15 N -3.83 -4.72 -3.49 1.08 3.02 -1.26 -4.86 115.26 101.21 1cej n ASN 15 Ca 0.07 0.13 -0.13 0.00 -0.03 0.00 0.00 54.58 54.62 1cej n ASN 15 Cb 0.53 -4.00 -0.04 0.00 -0.61 0.00 0.00 39.78 35.67 1cej n ASN 15 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1cej s SER 16 N -2.07 -0.54 0.12 6.41 0.15 -1.14 0.11 113.70 116.73 1cej s SER 16 Ca 0.00 0.28 0.06 0.00 0.70 0.00 0.00 55.95 56.99 1cej s SER 16 Cb 0.00 0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 64.78 1cej s SER 16 CO 0.00 -0.72 -0.15 -0.83 1.20 0.00 0.00 173.24 172.74 1cej s GLY 17 N -2.00 1.07 0.32 9.45 0.00 -0.32 -4.71 107.32 111.14 1cej s GLY 17 Ca -0.03 -1.26 -0.28 0.00 0.00 0.00 0.00 44.72 43.15 1cej s GLY 17 CO -0.03 -1.31 1.17 0.00 0.00 0.00 0.00 173.10 172.93 1cej n PHE 19 N 0.84 -0.03 -2.97 0.00 7.35 -0.28 -4.87 117.46 117.49 1cej n PHE 19 Ca 0.00 -2.44 -0.44 0.00 -0.76 0.00 0.00 57.45 53.81 1cej n PHE 19 Cb 0.44 0.29 -0.03 0.00 0.35 0.00 0.00 39.48 40.54 1cej n PHE 19 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1cej s ARG 20 N -2.07 3.49 0.00 -4.13 3.52 -1.24 -2.62 118.95 115.89 1cej s ARG 20 Ca 0.25 -1.67 0.00 0.00 -0.13 0.00 0.00 55.73 54.18 1cej s ARG 20 Cb 0.43 -4.72 0.00 0.00 -1.56 0.00 0.00 34.95 29.10 1cej s ARG 20 CO -0.01 -1.71 0.00 -2.39 -0.81 0.00 0.00 175.30 170.38 1cej n HIS 21 N 6.44 -0.41 0.00 5.12 1.44 -1.26 -3.25 115.22 123.30 1cej n HIS 21 Ca 0.16 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.87 1cej n HIS 21 Cb 0.48 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.59 1cej n HIS 21 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1cej n LEU 22 N 0.00 0.00 -0.07 2.39 4.77 -1.25 -3.47 117.00 119.38 1cej n LEU 22 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 1cej n LEU 22 Cb 0.00 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.21 1cej n LEU 22 CO 0.00 0.00 0.55 -0.90 -1.33 0.00 0.00 177.39 175.71 1cej n ASP 23 N 2.07 2.26 0.00 -1.43 5.68 -1.26 -4.80 116.55 119.06 1cej n ASP 23 Ca 0.00 -2.91 0.00 0.00 -0.50 0.00 0.00 54.79 51.38 1cej n ASP 23 Cb 0.00 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 39.62 1cej n ASP 23 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1cej n GLU 24 N -1.28 0.00 -3.24 0.11 1.02 -1.23 -4.86 120.64 111.17 1cej n GLU 24 Ca 0.13 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.25 1cej n GLU 24 Cb 0.58 -3.64 -0.04 0.00 -0.02 0.00 0.00 31.44 28.32 1cej n GLU 24 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1cej s ARG 25 N -0.56 0.48 0.00 3.49 3.52 -1.26 -4.70 118.95 119.91 1cej s ARG 25 Ca 0.00 0.53 0.00 0.00 -0.13 0.00 0.00 55.73 56.13 1cej s ARG 25 Cb 0.00 0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.40 1cej s ARG 25 CO 0.00 -0.86 0.00 0.39 -0.81 0.00 0.00 175.30 174.02 1cej n GLU 26 N 5.39 0.00 0.00 5.12 -0.58 -1.26 -4.71 120.64 124.60 1cej n GLU 26 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1cej n GLU 26 Cb 0.51 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.38 1cej n GLU 26 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1cej n GLU 27 N 0.00 -2.45 -3.59 3.49 1.02 -1.08 -4.86 120.64 113.17 1cej n GLU 27 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 1cej n GLU 27 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 1cej n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cej s LYS 29 N 0.12 2.84 0.68 0.00 2.36 -0.79 -4.88 119.74 120.05 1cej s LYS 29 Ca 0.16 -0.55 -0.17 0.00 -2.55 0.00 0.00 55.97 52.87 1cej s LYS 29 Cb -0.13 -2.62 -0.03 0.00 -1.05 0.00 0.00 37.83 34.00 1cej s LYS 29 CO 0.04 0.62 0.82 0.00 1.55 0.00 0.00 175.35 178.39 1cej n LEU 31 N -0.91 0.00 -4.82 0.00 4.77 0.29 -4.67 117.00 111.66 1cej n LEU 31 Ca 0.12 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.80 1cej n LEU 31 Cb 0.49 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.65 1cej n LEU 31 CO 0.49 -0.98 0.72 -0.76 -1.33 0.00 0.00 177.39 175.53 1cej s LEU 32 N 0.00 2.77 -1.47 2.23 1.43 -1.26 -3.18 118.68 119.20 1cej s LEU 32 Ca 0.00 1.36 0.00 0.00 -1.03 0.00 0.00 54.13 54.46 1cej s LEU 32 Cb 0.00 -4.07 0.00 0.00 0.03 0.00 0.00 46.19 42.15 1cej s LEU 32 CO 0.00 -1.75 0.00 0.59 0.23 0.00 0.00 176.35 175.42 1cej n ASN 33 N -3.30 -4.75 -4.58 2.29 5.03 -1.26 -4.92 115.26 103.77 1cej n ASN 33 Ca 0.07 0.34 -0.30 0.00 0.87 0.00 0.00 54.58 55.56 1cej n ASN 33 Cb 0.56 -3.94 -0.08 0.00 -1.02 0.00 0.00 39.78 35.30 1cej n ASN 33 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1cej s TYR 34 N -2.14 1.92 0.20 3.10 2.02 -1.19 -0.57 117.35 120.69 1cej s TYR 34 Ca 0.00 -1.01 -0.09 0.00 -0.37 0.00 0.00 57.07 55.61 1cej s TYR 34 Cb 0.00 -1.51 0.03 0.00 -0.40 0.00 0.00 41.96 40.09 1cej s TYR 34 CO 0.00 0.12 0.45 0.36 -1.57 0.00 0.00 175.55 174.90 1cej n LYS 35 N -1.13 0.59 -4.65 -0.62 2.85 -0.34 -4.40 118.16 110.47 1cej n LYS 35 Ca -0.14 -1.17 -0.33 0.00 -1.05 0.00 0.00 58.31 55.63 1cej n LYS 35 Cb 0.66 1.47 -0.12 0.00 -0.65 0.00 0.00 35.03 36.40 1cej n LYS 35 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1cej s GLN 36 N -2.05 2.52 -0.44 -1.58 -0.21 -1.26 -2.00 119.66 114.65 1cej s GLN 36 Ca 0.09 -0.70 0.07 0.00 0.02 0.00 0.00 55.36 54.84 1cej s GLN 36 Cb -0.03 -2.45 0.29 0.00 1.00 0.00 0.00 33.01 31.83 1cej s GLN 36 CO 0.06 0.62 0.88 -1.91 -2.12 0.00 0.00 175.29 172.82 1cej n GLU 37 N 1.93 0.88 0.00 2.91 2.13 -1.14 -4.85 120.64 122.51 1cej n GLU 37 Ca -0.17 -2.32 0.00 0.00 0.66 0.00 0.00 57.16 55.34 1cej n GLU 37 Cb 0.52 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.92 1cej n GLU 37 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1cej n GLY 38 N 0.93 1.13 0.00 8.31 0.00 -1.26 -4.28 105.19 110.02 1cej n GLY 38 Ca 0.13 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1cej n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cej n ASP 39 N 0.00 0.86 -4.04 1.61 8.00 -1.26 -5.03 116.55 116.69 1cej n ASP 39 Ca 0.00 -1.15 -0.19 0.00 0.71 0.00 0.00 54.79 54.15 1cej n ASP 39 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 40.95 1cej n ASP 39 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1cej s LYS 40 N -0.15 0.79 0.34 -1.24 1.02 -1.26 -5.06 119.74 114.17 1cej s LYS 40 Ca 0.00 -0.37 -0.26 0.00 0.02 0.00 0.00 55.97 55.36 1cej s LYS 40 Cb 0.00 -0.76 -0.10 0.00 -0.52 0.00 0.00 37.83 36.45 1cej s LYS 40 CO 0.00 0.21 0.99 0.00 -0.92 0.00 0.00 175.35 175.62 1cej s VAL 42 N -1.57 1.33 0.29 0.00 -7.23 -0.84 -4.86 120.40 107.51 1cej s VAL 42 Ca 0.51 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.39 1cej s VAL 42 Cb -0.21 -2.45 -0.10 0.00 0.56 0.00 0.00 36.38 34.18 1cej s VAL 42 CO 0.27 0.00 1.38 -1.61 -0.31 0.00 0.00 175.10 174.83 1cej s GLU 43 N -3.81 4.30 -0.30 4.82 8.01 -1.26 -1.19 118.70 129.26 1cej s GLU 43 Ca 0.17 2.27 -0.08 0.00 0.01 0.00 0.00 54.97 57.35 1cej s GLU 43 Cb 0.04 -3.09 0.00 0.00 -4.31 0.00 0.00 34.13 26.78 1cej s GLU 43 CO 0.09 -0.32 0.11 1.21 0.01 0.00 0.00 175.26 176.36 1cej s ASN 44 N -0.03 5.30 0.12 -0.19 3.04 0.26 -4.71 114.94 118.73 1cej s ASN 44 Ca 0.54 -0.62 0.24 0.00 0.04 0.00 0.00 52.86 53.06 1cej s ASN 44 Cb -0.41 -1.93 0.26 0.00 -1.54 0.00 0.00 41.25 37.63 1cej s ASN 44 CO 0.49 -0.19 1.25 1.55 -3.04 0.00 0.00 177.10 177.15 1cej h PRO 45 N 8.28 0.00 -2.64 0.43 0.14 -1.94 -3.42 132.00 132.86 1cej h PRO 45 Ca -0.32 0.00 -0.60 0.00 0.14 0.00 0.00 66.00 65.23 1cej h PRO 45 Cb 1.14 0.00 -0.39 0.00 0.14 0.00 0.00 31.00 31.88 1cej h PRO 45 CO 0.61 0.00 -0.84 0.54 0.14 0.00 0.00 178.00 178.44 1cej s ASN 46 N -4.34 2.69 -0.07 1.44 2.20 -1.26 -4.82 114.94 110.78 1cej s ASN 46 Ca 0.05 -2.86 -0.19 0.00 -0.94 0.00 0.00 52.86 48.92 1cej s ASN 46 Cb 0.13 -0.70 -0.05 0.00 -2.00 0.00 0.00 41.25 38.63 1cej s ASN 46 CO 0.74 -0.21 0.52 -2.16 -2.94 0.00 0.00 177.10 173.04 1cej s PRO 47 N 0.17 4.30 0.00 3.55 0.05 -1.26 -5.07 135.00 136.74 1cej s PRO 47 Ca 0.25 0.55 0.00 0.00 0.05 0.00 0.00 61.00 61.85 1cej s PRO 47 Cb -0.10 -3.39 0.00 0.00 0.05 0.00 0.00 34.50 31.07 1cej s PRO 47 CO -0.10 0.26 0.00 -2.37 0.05 0.00 0.00 177.00 174.84 1cej n THR 48 N 3.23 0.00 0.00 1.26 5.66 -1.26 -4.84 114.28 118.33 1cej n THR 48 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1cej n THR 48 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 1cej n THR 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1cej n ASN 50 N -1.60 0.00 -2.80 0.00 5.15 -1.26 -3.04 115.26 111.70 1cej n ASN 50 Ca 0.00 -0.68 -0.39 0.00 -0.60 0.00 0.00 54.58 52.91 1cej n ASN 50 Cb 0.27 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.57 1cej n ASN 50 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1cej n GLU 51 N -0.87 2.75 -3.60 1.20 0.28 -1.26 -4.88 120.64 114.25 1cej n GLU 51 Ca 0.10 -3.49 -0.26 0.00 -0.16 0.00 0.00 57.16 53.34 1cej n GLU 51 Cb 0.04 -2.27 0.01 0.00 1.43 0.00 0.00 31.44 30.65 1cej n GLU 51 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1cej n ASN 52 N -0.61 -5.46 -2.50 -1.84 0.23 -1.17 -3.96 115.26 99.94 1cej n ASN 52 Ca 0.55 -0.57 -0.00 0.00 -0.53 0.00 0.00 54.58 54.04 1cej n ASN 52 Cb 0.32 -2.17 -0.00 0.00 -2.08 0.00 0.00 39.78 35.85 1cej n ASN 52 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1cej n ASN 53 N -1.69 -6.82 -2.26 0.53 2.85 -1.21 -4.88 115.26 101.79 1cej n ASN 53 Ca -0.20 1.19 -0.31 0.00 -0.11 0.00 0.00 54.58 55.15 1cej n ASN 53 Cb 0.66 -4.60 0.10 0.00 1.24 0.00 0.00 39.78 37.18 1cej n ASN 53 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1cej n GLY 54 N 0.61 5.62 0.00 8.20 0.00 -1.02 -4.58 105.19 114.02 1cej n GLY 54 Ca -0.01 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1cej n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cej n GLY 55 N -0.96 1.39 3.45 -0.02 0.00 -1.26 -4.19 105.19 103.60 1cej n GLY 55 Ca 0.60 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.29 1cej n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cej n ASP 57 N 3.22 0.12 -0.18 0.00 9.92 -0.86 -4.28 116.55 124.47 1cej n ASP 57 Ca -0.18 1.15 0.17 0.00 -0.53 0.00 0.00 54.79 55.40 1cej n ASP 57 Cb 0.53 -1.06 0.52 0.00 -0.64 0.00 0.00 41.12 40.47 1cej n ASP 57 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cej h ALA 58 N 2.30 2.19 -0.31 2.24 0.00 -1.92 0.83 119.26 124.60 1cej h ALA 58 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1cej h ALA 58 Cb 1.40 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1cej h ALA 58 CO 0.63 -0.42 0.00 -0.25 0.00 0.00 0.00 179.25 179.21 1cej n ASP 59 N -4.47 2.42 -4.98 0.00 8.00 -1.26 -4.91 116.55 111.34 1cej n ASP 59 Ca 0.16 -1.87 -0.19 0.00 0.71 0.00 0.00 54.79 53.60 1cej n ASP 59 Cb 0.60 -0.20 0.01 0.00 -0.02 0.00 0.00 41.12 41.52 1cej n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cej s ALA 60 N -1.60 4.47 -0.06 2.24 0.00 0.29 -4.33 121.76 122.76 1cej s ALA 60 Ca 0.34 -1.80 -0.14 0.00 0.00 0.00 0.00 51.96 50.37 1cej s ALA 60 Cb 0.19 -1.41 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 1cej s ALA 60 CO 0.27 -0.40 0.35 0.21 0.00 0.00 0.00 175.76 176.18 1cej s LYS 61 N -4.37 3.96 -0.08 0.00 2.20 -0.52 -4.76 119.74 116.17 1cej s LYS 61 Ca 0.54 0.27 0.01 0.00 -0.36 0.00 0.00 55.97 56.43 1cej s LYS 61 Cb -0.07 -3.28 -0.02 0.00 -1.51 0.00 0.00 37.83 32.94 1cej s LYS 61 CO 0.33 0.56 -0.11 0.00 -0.36 0.00 0.00 175.35 175.76 1cej s THR 63 N -0.43 1.67 0.00 0.00 -4.23 -0.64 -4.99 115.64 107.02 1cej s THR 63 Ca 0.05 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1cej s THR 63 Cb -0.12 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.33 1cej s THR 63 CO 0.02 0.46 0.00 -1.84 -0.54 0.00 0.00 174.62 172.72 1cej n GLU 64 N 2.53 3.98 -1.86 3.99 -0.00 -1.26 -1.39 120.64 126.63 1cej n GLU 64 Ca -0.15 0.00 -0.39 0.00 -0.00 0.00 0.00 57.16 56.62 1cej n GLU 64 Cb 0.53 -0.60 -0.03 0.00 -0.00 0.00 0.00 31.44 31.33 1cej n GLU 64 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1cej n GLU 65 N -0.44 2.21 0.00 3.44 0.28 -1.26 -4.51 120.64 120.36 1cej n GLU 65 Ca 0.00 -2.51 0.00 0.00 -0.16 0.00 0.00 57.16 54.49 1cej n GLU 65 Cb 0.00 -3.36 0.00 0.00 1.43 0.00 0.00 31.44 29.51 1cej n GLU 65 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1cej n ASP 66 N 9.34 0.00 0.00 -1.84 2.03 -1.26 -5.10 116.55 119.72 1cej n ASP 66 Ca 0.49 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.80 1cej n ASP 66 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 1cej n ASP 66 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1cej n SER 67 N -0.26 0.00 -0.13 1.67 7.64 -1.26 -5.12 113.62 116.17 1cej n SER 67 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1cej n SER 67 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1cej n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cej n GLY 68 N 3.84 -0.30 1.39 0.23 0.00 -1.26 -5.06 105.19 104.03 1cej n GLY 68 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1cej n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cej n SER 69 N -0.01 -2.50 -2.51 1.61 3.41 -1.26 -4.99 113.62 107.37 1cej n SER 69 Ca 0.00 0.70 -0.17 0.00 -0.26 0.00 0.00 58.87 59.14 1cej n SER 69 Cb 0.00 2.51 0.02 0.00 -0.26 0.00 0.00 64.21 66.48 1cej n SER 69 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1cej n ASN 70 N -3.20 3.23 0.00 4.04 4.05 -1.26 -5.00 115.26 117.13 1cej n ASN 70 Ca 0.00 -3.14 0.00 0.00 0.45 0.00 0.00 54.58 51.89 1cej n ASN 70 Cb 0.00 -0.46 0.00 0.00 1.23 0.00 0.00 39.78 40.55 1cej n ASN 70 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1cej n GLY 71 N -0.41 3.19 3.72 8.20 0.00 -1.26 -5.09 105.19 113.54 1cej n GLY 71 Ca 0.25 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1cej n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cej s LYS 72 N -0.91 4.18 -0.22 1.61 1.02 -1.26 -4.58 119.74 119.59 1cej s LYS 72 Ca 0.00 2.45 -0.07 0.00 0.02 0.00 0.00 55.97 58.36 1cej s LYS 72 Cb 0.00 -3.13 -0.03 0.00 -0.52 0.00 0.00 37.83 34.15 1cej s LYS 72 CO 0.00 -0.66 0.07 0.21 -0.92 0.00 0.00 175.35 174.05 1cej s LYS 73 N 1.14 3.79 -0.31 1.68 2.36 -1.26 -4.93 119.74 122.22 1cej s LYS 73 Ca 0.72 -0.42 0.01 0.00 -2.55 0.00 0.00 55.97 53.72 1cej s LYS 73 Cb -0.46 -3.27 0.07 0.00 -1.05 0.00 0.00 37.83 33.12 1cej s LYS 73 CO 0.32 0.02 -0.00 0.42 1.55 0.00 0.00 175.35 177.65 1cej s ILE 74 N 1.06 2.61 0.38 5.43 -1.09 -1.26 -4.46 121.20 123.86 1cej s ILE 74 Ca 0.04 -1.74 -0.05 0.00 -2.23 0.00 0.00 60.65 56.67 1cej s ILE 74 Cb -0.14 -2.63 -0.05 0.00 -1.58 0.00 0.00 42.46 38.06 1cej s ILE 74 CO 0.03 -0.25 0.66 -0.89 -1.23 0.00 0.00 174.94 173.26 1cej s THR 75 N 1.12 4.96 0.05 2.92 2.01 -0.49 -4.92 115.64 121.29 1cej s THR 75 Ca -0.02 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.12 1cej s THR 75 Cb -0.20 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 1cej s THR 75 CO -0.04 -0.55 -0.06 0.00 -0.69 0.00 0.00 174.62 173.28 1cej s GLU 77 N -2.08 0.40 -0.05 0.00 2.12 -0.80 -4.79 118.70 113.49 1cej s GLU 77 Ca -0.06 0.71 -0.29 0.00 0.36 0.00 0.00 54.97 55.68 1cej s GLU 77 Cb -0.06 0.39 -0.07 0.00 0.26 0.00 0.00 34.13 34.65 1cej s GLU 77 CO -0.01 -0.44 2.00 0.00 -0.54 0.00 0.00 175.26 176.27 1cej n THR 79 N 6.19 2.18 -4.57 0.00 5.66 -1.26 -4.77 114.28 117.71 1cej n THR 79 Ca 0.22 -0.81 -0.26 0.00 -3.05 0.00 0.00 64.05 60.15 1cej n THR 79 Cb 0.42 -1.65 -0.11 0.00 -1.55 0.00 0.00 70.33 67.44 1cej n THR 79 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1cej s LYS 80 N 0.57 1.86 0.04 1.09 1.02 -1.26 -5.05 119.74 118.02 1cej s LYS 80 Ca 0.24 -2.04 -0.03 0.00 0.02 0.00 0.00 55.97 54.16 1cej s LYS 80 Cb 0.12 -1.43 -0.28 0.00 -0.52 0.00 0.00 37.83 35.72 1cej s LYS 80 CO 0.00 -0.08 1.01 -1.00 -0.92 0.00 0.00 175.35 174.36 1cej h PRO 81 N 1.88 0.25 -0.76 -1.68 0.14 -1.97 -3.20 132.00 126.66 1cej h PRO 81 Ca -0.43 -0.42 0.00 0.00 0.14 0.00 0.00 66.00 65.29 1cej h PRO 81 Cb 1.24 0.16 0.00 0.00 0.14 0.00 0.00 31.00 32.54 1cej h PRO 81 CO 0.77 1.15 0.00 -0.25 0.14 0.00 0.00 178.00 179.81 1cej n ASP 82 N -3.48 3.52 -4.54 1.44 8.00 -1.26 -4.88 116.55 115.35 1cej n ASP 82 Ca -0.12 -2.48 -0.34 0.00 0.71 0.00 0.00 54.79 52.55 1cej n ASP 82 Cb 1.03 -0.59 -0.07 0.00 -0.02 0.00 0.00 41.12 41.48 1cej n ASP 82 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1cej n SER 83 N 0.35 1.71 -3.40 -2.24 3.41 -1.21 -3.69 113.62 108.56 1cej n SER 83 Ca 0.15 -0.47 -0.26 0.00 -0.26 0.00 0.00 58.87 58.03 1cej n SER 83 Cb 0.75 -1.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.20 1cej n SER 83 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1cej n TYR 84 N 14.77 2.18 -0.64 7.33 4.02 -1.26 -4.85 117.16 138.70 1cej n TYR 84 Ca 0.45 -3.95 -0.20 0.00 -0.01 0.00 0.00 57.90 54.19 1cej n TYR 84 Cb 0.41 -0.46 0.00 0.00 -0.02 0.00 0.00 39.34 39.28 1cej n TYR 84 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1cej n PRO 85 N 1.23 0.00 -0.09 -0.72 -0.01 -1.25 -3.33 135.00 130.82 1cej n PRO 85 Ca 0.26 0.00 -0.09 0.00 -0.01 0.00 0.00 63.50 63.66 1cej n PRO 85 Cb 0.44 -0.50 -0.14 0.00 -0.01 0.00 0.00 33.50 33.29 1cej n PRO 85 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 175.50 176.77 1cej n LEU 86 N 1.21 0.12 0.00 2.45 4.77 0.14 -4.72 117.00 120.97 1cej n LEU 86 Ca 0.05 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1cej n LEU 86 Cb 0.22 0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1cej n LEU 86 CO 0.27 0.46 -0.20 0.49 -1.33 0.00 0.00 177.39 177.08 1cej n PHE 87 N -2.68 0.00 0.00 -1.77 3.72 -1.26 -5.01 117.46 110.46 1cej n PHE 87 Ca -0.29 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 1cej n PHE 87 Cb 1.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.61 1cej n PHE 87 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1cej n ASP 88 N -0.66 0.00 0.00 4.37 5.68 -1.26 -4.96 116.55 119.72 1cej n ASP 88 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1cej n ASP 88 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1cej n ASP 88 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cej n GLY 89 N 0.00 0.00 0.11 6.12 0.00 -1.26 -4.84 105.19 105.31 1cej n GLY 89 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1cej n GLY 89 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1cej n ILE 90 N 0.00 1.51 -3.76 -0.61 -5.35 -1.25 -2.93 119.36 106.98 1cej n ILE 90 Ca 0.00 -0.76 -0.22 0.00 -0.27 0.00 0.00 62.75 61.50 1cej n ILE 90 Cb 0.00 -0.95 -0.18 0.00 -1.74 0.00 0.00 39.64 36.77 1cej n ILE 90 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1cej s PHE 91 N -2.53 0.53 0.00 4.28 0.08 -1.26 -2.03 117.98 117.05 1cej s PHE 91 Ca -0.15 -0.07 0.00 0.00 0.12 0.00 0.00 56.93 56.82 1cej s PHE 91 Cb 0.07 -0.72 0.00 0.00 -0.57 0.00 0.00 43.02 41.80 1cej s PHE 91 CO 0.77 -0.29 0.00 0.00 -0.10 0.00 0.00 175.22 175.60 1cej s SER 93 N -1.00 0.43 -0.09 0.00 1.04 -1.21 -4.67 113.70 108.19 1cej s SER 93 Ca 0.00 -1.28 -0.03 0.00 0.48 0.00 0.00 55.95 55.13 1cej s SER 93 Cb 0.00 0.74 -0.05 0.00 0.10 0.00 0.00 66.02 66.82 1cej s SER 93 CO 0.00 -1.46 -0.11 -1.54 0.98 0.00 0.00 173.24 171.11 1cej n SER 94 N -1.32 1.72 0.00 7.02 3.41 -1.26 -4.10 113.62 119.09 1cej n SER 94 Ca -0.03 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1cej n SER 94 Cb 0.61 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1cej n SER 94 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1cej n SER 95 N -3.17 0.00 0.00 4.04 2.88 -1.26 -4.85 113.62 111.27 1cej n SER 95 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1cej n SER 95 Cb 0.65 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 64.16 1cej n SER 95 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61