#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 1.71 -0.11 1.53 2.08 -1.26 -4.62 119.36 118.68 1cej n ILE 2 Ca 0.00 -0.62 0.00 0.00 0.56 0.00 0.00 62.75 62.69 1cej n ILE 2 Cb 0.00 -0.82 0.00 0.00 -0.75 0.00 0.00 39.64 38.07 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 -0.03 0.00 -1.18 4.38 7.64 -1.26 -4.94 113.62 118.22 1cej n SER 3 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1cej n SER 3 Cb 0.88 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.08 1cej n SER 3 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1cej n GLN 4 N 0.00 -3.17 -2.38 1.43 -0.06 -1.26 -4.73 117.38 107.21 1cej n GLN 4 Ca 0.00 2.44 -0.18 0.00 -2.00 0.00 0.00 57.00 57.25 1cej n GLN 4 Cb 0.00 -2.98 -0.01 0.00 -4.06 0.00 0.00 30.24 23.19 1cej n GLN 4 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1cej n HIS 5 N -2.05 -1.09 0.00 3.69 8.25 -1.26 -4.94 115.22 117.82 1cej n HIS 5 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1cej n HIS 5 Cb 0.29 -3.61 0.00 0.00 1.12 0.00 0.00 29.99 27.79 1cej n HIS 5 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1cej n GLN 6 N -2.93 0.00 0.00 -0.41 6.02 -1.26 -4.28 117.38 114.52 1cej n GLN 6 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.77 1cej n GLN 6 Cb 0.66 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.92 1cej n GLN 6 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cej s VAL 8 N -2.00 -0.48 -1.20 0.00 0.11 -1.26 -4.97 120.40 110.60 1cej s VAL 8 Ca 0.00 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.96 1cej s VAL 8 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1cej s VAL 8 CO 0.00 0.00 0.76 0.29 -3.33 0.00 0.00 175.10 172.82 1cej n LYS 9 N 4.78 -2.97 -3.58 1.54 5.02 -1.26 -4.99 118.16 116.70 1cej n LYS 9 Ca -0.14 0.59 -0.02 0.00 -2.02 0.00 0.00 58.31 56.72 1cej n LYS 9 Cb 0.54 -4.88 -0.06 0.00 -0.02 0.00 0.00 35.03 30.61 1cej n LYS 9 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1cej s LYS 10 N -5.71 0.44 -0.53 1.97 2.20 -1.26 -5.11 119.74 111.74 1cej s LYS 10 Ca 0.26 0.89 0.04 0.00 -0.36 0.00 0.00 55.97 56.80 1cej s LYS 10 Cb -0.07 0.30 0.13 0.00 -1.51 0.00 0.00 37.83 36.68 1cej s LYS 10 CO 0.82 -0.11 0.28 -0.65 -0.36 0.00 0.00 175.35 175.33 1cej s GLN 11 N 1.92 1.94 1.16 4.03 -0.21 -1.26 -5.07 119.66 122.16 1cej s GLN 11 Ca -0.07 -2.62 -0.16 0.00 0.02 0.00 0.00 55.36 52.53 1cej s GLN 11 Cb -0.06 -3.20 0.26 0.00 1.00 0.00 0.00 33.01 31.02 1cej s GLN 11 CO -0.17 -1.13 1.06 0.00 -2.12 0.00 0.00 175.29 172.93 1cej s PRO 13 N -5.01 2.91 1.28 0.00 0.05 -1.26 -5.04 135.00 127.93 1cej s PRO 13 Ca 0.68 -0.26 -0.19 0.00 0.05 0.00 0.00 61.00 61.28 1cej s PRO 13 Cb -0.17 -2.39 0.29 0.00 0.05 0.00 0.00 34.50 32.29 1cej s PRO 13 CO 0.59 -0.57 0.70 0.00 0.05 0.00 0.00 177.00 177.77 1cej n GLN 14 N -2.40 -3.48 -2.07 4.56 10.64 -1.26 -2.85 117.38 120.53 1cej n GLN 14 Ca 0.04 -1.02 -0.16 0.00 -1.83 0.00 0.00 57.00 54.03 1cej n GLN 14 Cb 0.58 -1.87 -0.03 0.00 -0.86 0.00 0.00 30.24 28.06 1cej n GLN 14 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1cej n ASN 15 N -4.28 -4.58 -3.77 2.61 5.03 -1.26 -4.88 115.26 104.13 1cej n ASN 15 Ca 0.08 0.21 -0.10 0.00 0.87 0.00 0.00 54.58 55.64 1cej n ASN 15 Cb 0.54 -3.95 -0.05 0.00 -1.02 0.00 0.00 39.78 35.30 1cej n ASN 15 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1cej s SER 16 N -2.16 -0.15 0.00 6.41 0.15 -1.13 0.71 113.70 117.53 1cej s SER 16 Ca 0.00 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1cej s SER 16 Cb 0.00 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1cej s SER 16 CO 0.00 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.12 1cej n GLY 17 N -0.26 4.29 3.64 9.45 0.00 -0.37 -4.66 105.19 117.27 1cej n GLY 17 Ca -0.11 -1.81 -0.27 0.00 0.00 0.00 0.00 46.02 43.83 1cej n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cej s PHE 19 N -1.63 -0.59 -0.51 0.00 5.36 -0.88 -4.86 117.98 114.88 1cej s PHE 19 Ca 0.26 0.34 0.03 0.00 -0.96 0.00 0.00 56.93 56.61 1cej s PHE 19 Cb -0.10 -0.23 0.15 0.00 -0.34 0.00 0.00 43.02 42.50 1cej s PHE 19 CO 0.17 -0.76 0.33 0.50 -1.46 0.00 0.00 175.22 174.00 1cej s ARG 20 N 2.43 1.54 0.00 10.12 3.52 -1.26 -2.37 118.95 132.93 1cej s ARG 20 Ca 0.10 -2.40 0.00 0.00 -0.13 0.00 0.00 55.73 53.30 1cej s ARG 20 Cb -0.15 -2.46 0.00 0.00 -1.56 0.00 0.00 34.95 30.78 1cej s ARG 20 CO -0.21 -1.24 0.00 -2.39 -0.81 0.00 0.00 175.30 170.66 1cej n HIS 21 N 2.97 0.00 -0.79 5.12 1.44 -1.23 -4.21 115.22 118.53 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 0.37 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.48 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 0.70 0.00 2.39 4.77 -1.26 -4.07 117.00 119.53 1cej n LEU 22 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1cej n LEU 22 Cb 0.00 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 39.70 1cej n LEU 22 CO 0.00 -0.49 0.00 -0.90 -1.33 0.00 0.00 177.39 174.67 1cej n ASP 23 N -0.27 0.00 -1.75 -1.43 5.68 -1.26 -4.97 116.55 112.55 1cej n ASP 23 Ca 0.00 -0.45 -0.12 0.00 -0.50 0.00 0.00 54.79 53.72 1cej n ASP 23 Cb 0.14 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.08 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 0.00 -1.62 -3.90 0.11 1.02 -1.26 -4.92 120.64 110.08 1cej n GLU 24 Ca 0.00 0.68 -0.23 0.00 -0.02 0.00 0.00 57.16 57.59 1cej n GLU 24 Cb 0.17 -5.04 -0.06 0.00 -0.02 0.00 0.00 31.44 26.49 1cej n GLU 24 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1cej s ARG 25 N -3.76 2.37 -0.16 3.49 0.52 -1.26 -4.91 118.95 115.24 1cej s ARG 25 Ca 0.00 -1.69 -0.00 0.00 -0.52 0.00 0.00 55.73 53.52 1cej s ARG 25 Cb 0.00 -2.16 -0.00 0.00 0.52 0.00 0.00 34.95 33.30 1cej s ARG 25 CO 0.00 -0.13 -0.14 -1.21 0.02 0.00 0.00 175.30 173.84 1cej s GLU 26 N -3.99 3.26 0.08 3.54 8.01 -1.26 -3.52 118.70 124.81 1cej s GLU 26 Ca 0.44 -0.73 -0.07 0.00 0.01 0.00 0.00 54.97 54.62 1cej s GLU 26 Cb 0.00 -2.66 -0.01 0.00 -4.31 0.00 0.00 34.13 27.16 1cej s GLU 26 CO 0.25 0.03 0.15 -1.21 0.01 0.00 0.00 175.26 174.49 1cej s GLU 27 N 0.79 0.78 -0.18 1.61 2.02 -1.00 -5.04 118.70 117.68 1cej s GLU 27 Ca -0.05 -0.97 -0.04 0.00 0.02 0.00 0.00 54.97 53.93 1cej s GLU 27 Cb -0.15 0.31 -0.02 0.00 0.10 0.00 0.00 34.13 34.37 1cej s GLU 27 CO 0.01 -0.23 -0.04 0.00 0.02 0.00 0.00 175.26 175.02 1cej s LYS 29 N 0.73 2.33 0.25 0.00 2.20 -0.95 -4.95 119.74 119.35 1cej s LYS 29 Ca -0.02 -1.82 0.03 0.00 -0.36 0.00 0.00 55.97 53.80 1cej s LYS 29 Cb -0.14 -2.27 -0.03 0.00 -1.51 0.00 0.00 37.83 33.87 1cej s LYS 29 CO 0.02 -0.56 0.40 0.00 -0.36 0.00 0.00 175.35 174.85 1cej n LEU 31 N -1.30 0.00 -4.79 0.00 4.77 0.22 -4.52 117.00 111.39 1cej n LEU 31 Ca -0.07 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.59 1cej n LEU 31 Cb 0.56 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.71 1cej n LEU 31 CO 0.47 -0.76 0.71 -0.76 -1.33 0.00 0.00 177.39 175.72 1cej s LEU 32 N 0.00 3.20 -1.40 2.23 1.43 -1.26 -2.59 118.68 120.29 1cej s LEU 32 Ca 0.00 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.91 1cej s LEU 32 Cb 0.00 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.70 1cej s LEU 32 CO 0.00 -1.67 0.00 0.59 0.23 0.00 0.00 176.35 175.50 1cej n ASN 33 N -2.96 -5.46 -3.89 2.29 5.03 -1.26 -4.92 115.26 104.08 1cej n ASN 33 Ca 0.09 0.33 -0.27 0.00 0.87 0.00 0.00 54.58 55.60 1cej n ASN 33 Cb 0.53 -4.25 -0.17 0.00 -1.02 0.00 0.00 39.78 34.87 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 -2.11 1.49 0.26 3.10 2.02 -1.07 0.51 117.35 121.55 1cej s TYR 34 Ca 0.00 -0.80 0.04 0.00 -0.37 0.00 0.00 57.07 55.94 1cej s TYR 34 Cb 0.00 -1.23 0.04 0.00 -0.40 0.00 0.00 41.96 40.37 1cej s TYR 34 CO 0.00 -0.53 0.33 0.36 -1.57 0.00 0.00 175.55 174.14 1cej n LYS 35 N 4.94 0.87 -4.06 -0.62 2.85 -0.40 -4.49 118.16 117.25 1cej n LYS 35 Ca -0.12 -1.41 -0.31 0.00 -1.05 0.00 0.00 58.31 55.42 1cej n LYS 35 Cb 0.49 -0.07 -0.06 0.00 -0.65 0.00 0.00 35.03 34.74 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 -3.15 2.97 -0.30 -1.58 -0.21 -1.26 -1.65 119.66 114.48 1cej s GLN 36 Ca 0.25 -0.62 -0.04 0.00 0.02 0.00 0.00 55.36 54.97 1cej s GLN 36 Cb -0.02 -2.78 0.17 0.00 1.00 0.00 0.00 33.01 31.38 1cej s GLN 36 CO 0.16 0.59 0.63 -2.00 -2.12 0.00 0.00 175.29 172.55 1cej s GLU 37 N -2.23 0.56 2.53 2.91 2.12 -1.12 -4.77 118.70 118.71 1cej s GLU 37 Ca 0.28 1.13 0.00 0.00 0.36 0.00 0.00 54.97 56.74 1cej s GLU 37 Cb -0.12 0.65 0.00 0.00 0.26 0.00 0.00 34.13 34.92 1cej s GLU 37 CO 0.20 -0.48 0.00 0.41 -0.54 0.00 0.00 175.26 174.85 1cej n GLY 38 N 5.43 0.48 0.00 -1.50 0.00 -1.26 -1.25 105.19 107.09 1cej n GLY 38 Ca -0.05 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 4.59 0.05 -4.05 1.61 8.00 -1.26 -5.07 116.55 120.42 1cej n ASP 39 Ca 0.00 -1.00 -0.23 0.00 0.71 0.00 0.00 54.79 54.27 1cej n ASP 39 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 40.94 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 -0.00 1.42 0.26 -1.24 -0.14 -0.38 -5.12 119.74 114.55 1cej s LYS 40 Ca 0.00 -0.43 -0.29 0.00 -1.36 0.00 0.00 55.97 53.89 1cej s LYS 40 Cb 0.00 -1.25 -0.09 0.00 -1.68 0.00 0.00 37.83 34.81 1cej s LYS 40 CO 0.00 0.13 1.23 0.00 -0.76 0.00 0.00 175.35 175.95 1cej s VAL 42 N -0.66 1.55 0.32 0.00 -7.23 -0.66 -4.87 120.40 108.85 1cej s VAL 42 Ca 0.50 -1.52 -0.27 0.00 -1.81 0.00 0.00 61.98 58.88 1cej s VAL 42 Cb -0.35 -2.06 -0.09 0.00 0.56 0.00 0.00 36.38 34.43 1cej s VAL 42 CO 0.43 0.00 1.04 -1.61 -0.31 0.00 0.00 175.10 174.65 1cej s GLU 43 N -4.28 4.50 -0.57 4.82 2.02 -1.26 -1.28 118.70 122.65 1cej s GLU 43 Ca 0.31 1.59 0.06 0.00 0.02 0.00 0.00 54.97 56.96 1cej s GLU 43 Cb -0.02 -2.92 0.29 0.00 0.10 0.00 0.00 34.13 31.57 1cej s GLU 43 CO 0.20 0.14 0.79 -1.71 0.02 0.00 0.00 175.26 174.70 1cej n ASN 44 N 0.71 3.38 -0.56 -0.19 4.05 0.18 -4.67 115.26 118.16 1cej n ASN 44 Ca 0.01 -3.41 0.42 0.00 0.45 0.00 0.00 54.58 52.06 1cej n ASN 44 Cb 0.47 -0.63 0.66 0.00 1.23 0.00 0.00 39.78 41.52 1cej n ASN 44 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1cej n PRO 45 N 0.50 -0.01 -3.80 1.20 -0.01 -1.26 -2.99 135.00 128.63 1cej n PRO 45 Ca 0.29 0.93 -0.30 0.00 -0.01 0.00 0.00 63.50 64.41 1cej n PRO 45 Cb 0.44 -2.07 -0.15 0.00 -0.01 0.00 0.00 33.50 31.70 1cej n PRO 45 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 175.50 176.70 1cej s ASN 46 N -3.97 4.17 0.68 2.55 2.47 -1.26 -4.85 114.94 114.73 1cej s ASN 46 Ca -0.05 -1.89 -0.06 0.00 0.42 0.00 0.00 52.86 51.29 1cej s ASN 46 Cb 0.23 -1.07 0.05 0.00 -1.45 0.00 0.00 41.25 39.01 1cej s ASN 46 CO 0.73 -0.39 0.98 -2.16 -3.72 0.00 0.00 177.10 172.54 1cej s PRO 47 N 1.28 2.30 0.00 0.43 0.05 -1.16 -5.10 135.00 132.79 1cej s PRO 47 Ca 0.11 -0.30 0.00 0.00 0.05 0.00 0.00 61.00 60.86 1cej s PRO 47 Cb -0.19 -2.22 0.00 0.00 0.05 0.00 0.00 34.50 32.15 1cej s PRO 47 CO -0.18 -1.13 0.00 -2.37 0.05 0.00 0.00 177.00 173.37 1cej n THR 48 N -2.82 0.00 0.00 1.26 5.66 -1.06 -4.97 114.28 112.34 1cej n THR 48 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1cej n THR 48 Cb 0.60 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 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 -2.12 0.00 -3.22 0.00 5.15 -1.26 -3.36 115.26 110.46 1cej n ASN 50 Ca 0.00 -0.63 -0.35 0.00 -0.60 0.00 0.00 54.58 53.01 1cej n ASN 50 Cb 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1cej n ASN 50 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1cej n GLU 51 N -0.77 4.21 -3.61 1.20 1.02 -1.26 -4.91 120.64 116.52 1cej n GLU 51 Ca 0.05 -4.60 -0.33 0.00 -0.02 0.00 0.00 57.16 52.27 1cej n GLU 51 Cb 0.02 -2.35 0.02 0.00 -0.02 0.00 0.00 31.44 29.12 1cej n GLU 51 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1cej n ASN 52 N -0.22 -5.29 -2.47 1.62 6.94 -1.21 -4.01 115.26 110.63 1cej n ASN 52 Ca 0.41 -0.47 -0.01 0.00 -0.02 0.00 0.00 54.58 54.49 1cej n ASN 52 Cb 0.34 -1.73 -0.01 0.00 -2.36 0.00 0.00 39.78 36.02 1cej n ASN 52 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1cej n ASN 53 N -1.17 -5.55 -1.23 0.53 2.85 -1.22 -4.82 115.26 104.64 1cej n ASN 53 Ca -0.18 1.16 -0.02 0.00 -0.11 0.00 0.00 54.58 55.43 1cej n ASN 53 Cb 0.69 -4.54 0.12 0.00 1.24 0.00 0.00 39.78 37.29 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 0.75 2.47 0.00 8.20 0.00 -1.14 -4.54 105.19 110.93 1cej n GLY 54 Ca -0.08 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 0.08 0.66 3.48 -0.02 0.00 -1.26 -2.58 105.19 105.55 1cej n GLY 55 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 3.20 0.34 0.11 0.00 9.92 -0.95 -4.51 116.55 124.65 1cej n ASP 57 Ca -0.18 0.51 0.19 0.00 -0.53 0.00 0.00 54.79 54.78 1cej n ASP 57 Cb 0.53 -0.39 0.76 0.00 -0.64 0.00 0.00 41.12 41.38 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 1.85 2.10 -0.01 2.24 0.00 -1.94 0.87 119.26 124.38 1cej h ALA 58 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1cej h ALA 58 Cb 0.60 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1cej h ALA 58 CO 0.37 -0.51 -0.30 -0.40 0.00 0.00 0.00 179.25 178.40 1cej n ASP 59 N -3.94 1.38 -4.39 0.00 5.75 -1.26 -4.92 116.55 109.18 1cej n ASP 59 Ca 0.06 -1.13 -0.23 0.00 -0.01 0.00 0.00 54.79 53.48 1cej n ASP 59 Cb 0.50 0.23 0.12 0.00 -1.03 0.00 0.00 41.12 40.94 1cej n ASP 59 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cej n ALA 60 N -0.38 0.04 -3.13 2.12 0.00 0.30 -4.76 120.51 114.71 1cej n ALA 60 Ca 0.12 -1.86 -0.43 0.00 0.00 0.00 0.00 53.44 51.27 1cej n ALA 60 Cb 0.39 0.28 -0.08 0.00 0.00 0.00 0.00 19.45 20.03 1cej n ALA 60 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1cej s LYS 61 N -5.07 2.82 -0.02 0.00 -0.14 -0.54 -4.87 119.74 111.92 1cej s LYS 61 Ca 0.64 -1.48 -0.25 0.00 -1.36 0.00 0.00 55.97 53.52 1cej s LYS 61 Cb -0.03 -4.03 -0.04 0.00 -1.68 0.00 0.00 37.83 32.04 1cej s LYS 61 CO 0.43 -1.07 0.77 0.00 -0.76 0.00 0.00 175.35 174.73 1cej s THR 63 N 0.54 0.41 -0.01 0.00 -4.23 -0.95 -4.93 115.64 106.47 1cej s THR 63 Ca 0.41 -0.78 0.02 0.00 -1.18 0.00 0.00 61.69 60.15 1cej s THR 63 Cb -0.19 -0.46 0.03 0.00 1.34 0.00 0.00 72.50 73.22 1cej s THR 63 CO 0.22 -0.26 0.93 -1.84 -0.54 0.00 0.00 174.62 173.12 1cej n GLU 64 N 1.94 2.21 -2.74 3.99 -0.00 -1.26 -1.68 120.64 123.10 1cej n GLU 64 Ca -0.20 -1.42 -0.43 0.00 -0.00 0.00 0.00 57.16 55.11 1cej n GLU 64 Cb 0.56 -0.95 -0.03 0.00 -0.00 0.00 0.00 31.44 31.01 1cej n GLU 64 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1cej s GLU 65 N -0.99 3.45 0.50 3.44 2.02 -1.26 -4.81 118.70 121.05 1cej s GLU 65 Ca 0.03 0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.05 1cej s GLU 65 Cb 0.03 -4.01 0.00 0.00 0.10 0.00 0.00 34.13 30.25 1cej s GLU 65 CO 0.00 -1.49 0.00 -0.40 0.02 0.00 0.00 175.26 173.39 1cej n ASP 66 N 7.74 -8.13 0.00 -0.19 5.68 -1.26 -5.05 116.55 115.34 1cej n ASP 66 Ca 0.05 1.10 0.00 0.00 -0.50 0.00 0.00 54.79 55.44 1cej n ASP 66 Cb 0.48 -4.66 0.00 0.00 -1.14 0.00 0.00 41.12 35.80 1cej n ASP 66 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1cej n SER 67 N -4.33 0.00 0.00 -1.12 2.88 -1.26 -4.76 113.62 105.03 1cej n SER 67 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1cej n SER 67 Cb 0.67 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 1cej n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1cej n GLY 68 N -0.48 -0.49 0.59 0.46 0.00 -1.26 -5.13 105.19 98.88 1cej n GLY 68 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1cej n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cej n SER 69 N 0.00 0.03 -0.01 1.61 7.64 -1.26 -5.03 113.62 116.60 1cej n SER 69 Ca 0.00 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 58.80 1cej n SER 69 Cb 0.00 -0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.02 1cej n SER 69 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1cej n ASN 70 N -3.12 4.17 0.00 6.43 5.15 -1.26 -4.97 115.26 121.66 1cej n ASN 70 Ca 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.01 1cej n ASN 70 Cb 0.09 0.92 0.00 0.00 -0.53 0.00 0.00 39.78 40.26 1cej n ASN 70 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1cej n GLY 71 N 2.51 0.49 3.87 8.20 0.00 -1.26 -5.03 105.19 113.97 1cej n GLY 71 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1cej n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cej s LYS 72 N 1.15 3.82 -0.45 1.61 0.00 -1.26 -5.05 119.74 119.56 1cej s LYS 72 Ca 0.00 0.34 -0.13 0.00 0.00 0.00 0.00 55.97 56.19 1cej s LYS 72 Cb 0.00 -2.57 0.08 0.00 0.00 0.00 0.00 37.83 35.34 1cej s LYS 72 CO 0.00 0.23 0.34 0.15 0.00 0.00 0.00 175.35 176.06 1cej s LYS 73 N -3.08 2.81 -0.08 1.78 3.01 -1.26 -4.75 119.74 118.17 1cej s LYS 73 Ca 0.49 -1.41 -0.06 0.00 -1.01 0.00 0.00 55.97 53.98 1cej s LYS 73 Cb -0.11 -3.98 0.03 0.00 -1.01 0.00 0.00 37.83 32.76 1cej s LYS 73 CO 0.23 -1.00 0.20 0.42 0.51 0.00 0.00 175.35 175.71 1cej s ILE 74 N 1.54 -0.02 0.02 2.17 -1.09 -1.26 -4.37 121.20 118.19 1cej s ILE 74 Ca 0.04 0.07 0.01 0.00 -2.23 0.00 0.00 60.65 58.53 1cej s ILE 74 Cb -0.24 -0.30 -0.01 0.00 -1.58 0.00 0.00 42.46 40.33 1cej s ILE 74 CO 0.05 0.03 -0.04 -0.89 -1.23 0.00 0.00 174.94 172.86 1cej s THR 75 N 0.58 0.23 -0.19 2.92 2.01 -0.68 -5.01 115.64 115.50 1cej s THR 75 Ca -0.04 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.36 1cej s THR 75 Cb -0.05 -0.29 0.02 0.00 0.01 0.00 0.00 72.50 72.18 1cej s THR 75 CO -0.03 -0.24 -0.18 0.00 -0.69 0.00 0.00 174.62 173.48 1cej s GLU 77 N 1.29 1.18 -0.71 0.00 2.12 -1.07 -4.89 118.70 116.63 1cej s GLU 77 Ca 0.04 -0.84 -0.26 0.00 0.36 0.00 0.00 54.97 54.27 1cej s GLU 77 Cb -0.14 -2.38 -0.01 0.00 0.26 0.00 0.00 34.13 31.86 1cej s GLU 77 CO -0.12 -0.67 1.73 0.00 -0.54 0.00 0.00 175.26 175.67 1cej n THR 79 N 7.13 1.64 -0.55 0.00 5.66 -1.26 -4.72 114.28 122.17 1cej n THR 79 Ca 0.21 0.47 -0.29 0.00 -3.05 0.00 0.00 64.05 61.38 1cej n THR 79 Cb 0.51 -1.42 0.21 0.00 -1.55 0.00 0.00 70.33 68.08 1cej n THR 79 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1cej n LYS 80 N -1.62 -2.30 -3.40 1.09 4.76 -1.26 -4.97 118.16 110.46 1cej n LYS 80 Ca 0.01 -0.66 -0.38 0.00 -2.87 0.00 0.00 58.31 54.41 1cej n LYS 80 Cb 0.05 -1.82 -0.06 0.00 -1.84 0.00 0.00 35.03 31.36 1cej n LYS 80 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1cej s PRO 81 N -3.84 4.10 -0.57 1.97 0.04 -1.26 -3.85 135.00 131.59 1cej s PRO 81 Ca 0.58 0.49 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1cej s PRO 81 Cb -0.15 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1cej s PRO 81 CO 0.62 0.53 0.00 -0.25 0.04 0.00 0.00 177.00 177.93 1cej n ASP 82 N 2.34 -5.43 -4.71 6.66 8.00 -1.26 -4.20 116.55 117.95 1cej n ASP 82 Ca -0.11 0.13 -0.42 0.00 0.71 0.00 0.00 54.79 55.10 1cej n ASP 82 Cb 0.52 -3.40 -0.03 0.00 -0.02 0.00 0.00 41.12 38.19 1cej n ASP 82 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1cej s SER 83 N -2.24 6.74 -0.27 -2.24 1.04 -1.25 0.36 113.70 115.84 1cej s SER 83 Ca 0.00 2.38 -0.03 0.00 0.48 0.00 0.00 55.95 58.77 1cej s SER 83 Cb 0.00 -2.58 0.10 0.00 0.10 0.00 0.00 66.02 63.65 1cej s SER 83 CO 0.00 -0.74 0.17 -0.31 0.98 0.00 0.00 173.24 173.34 1cej s TYR 84 N 1.58 0.09 -0.31 5.02 1.51 -1.26 -4.68 117.35 119.30 1cej s TYR 84 Ca 0.67 -0.60 -0.29 0.00 -1.01 0.00 0.00 57.07 55.84 1cej s TYR 84 Cb -0.38 -0.75 -0.12 0.00 -0.11 0.00 0.00 41.96 40.60 1cej s TYR 84 CO 0.30 -0.81 1.11 -2.30 -1.11 0.00 0.00 175.55 172.74 1cej n PRO 85 N 5.27 0.00 -0.03 -1.71 -0.01 -1.25 -1.73 135.00 135.53 1cej n PRO 85 Ca -0.05 0.00 -0.13 0.00 -0.01 0.00 0.00 63.50 63.31 1cej n PRO 85 Cb 0.44 -0.93 -0.08 0.00 -0.01 0.00 0.00 33.50 32.92 1cej n PRO 85 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 175.50 175.42 1cej h LEU 86 N 3.96 0.19 0.00 2.45 3.38 -1.90 -3.45 115.31 119.94 1cej h LEU 86 Ca -0.20 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1cej h LEU 86 Cb 0.86 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1cej h LEU 86 CO 0.63 0.63 0.00 0.49 0.09 0.00 0.00 178.44 180.28 1cej n PHE 87 N -4.71 0.00 -1.40 1.13 3.01 -1.26 -4.94 117.46 109.29 1cej n PHE 87 Ca -0.07 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.21 1cej n PHE 87 Cb 0.30 0.00 0.16 0.00 -0.01 0.00 0.00 39.48 39.93 1cej n PHE 87 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1cej n ASP 88 N 0.00 3.88 0.00 4.37 2.03 -1.26 -4.79 116.55 120.78 1cej n ASP 88 Ca 0.00 -3.73 0.00 0.00 0.52 0.00 0.00 54.79 51.58 1cej n ASP 88 Cb 0.00 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 1cej n ASP 88 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cej n GLY 89 N -1.07 1.33 0.09 0.27 0.00 -1.26 -4.90 105.19 99.65 1cej n GLY 89 Ca 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.47 1cej n GLY 89 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1cej h ILE 90 N 0.00 0.77 -2.85 -0.61 3.07 -1.87 -2.53 117.51 113.48 1cej h ILE 90 Ca 0.00 -2.39 -0.51 0.00 1.55 0.00 0.00 64.86 63.51 1cej h ILE 90 Cb 0.00 2.28 -0.13 0.00 -0.27 0.00 0.00 36.82 38.69 1cej h ILE 90 CO 0.00 0.44 -0.55 -0.36 -1.05 0.00 0.00 178.15 176.63 1cej s PHE 91 N -2.80 1.80 -0.04 0.16 0.08 -1.26 -2.89 117.98 113.04 1cej s PHE 91 Ca -0.02 -1.20 -0.01 0.00 0.12 0.00 0.00 56.93 55.82 1cej s PHE 91 Cb 0.08 -1.15 0.03 0.00 -0.57 0.00 0.00 43.02 41.41 1cej s PHE 91 CO 0.81 -0.24 0.03 0.00 -0.10 0.00 0.00 175.22 175.72 1cej n SER 93 N 4.73 0.00 -2.98 0.00 2.88 -0.71 -4.65 113.62 112.89 1cej n SER 93 Ca -0.15 0.39 -0.14 0.00 -1.33 0.00 0.00 58.87 57.64 1cej n SER 93 Cb 0.50 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.03 1cej n SER 93 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1cej n SER 94 N -0.47 -2.45 -4.03 -3.46 2.88 0.16 -4.75 113.62 101.50 1cej n SER 94 Ca 0.00 -0.52 -0.30 0.00 -1.33 0.00 0.00 58.87 56.73 1cej n SER 94 Cb 0.00 -4.30 0.23 0.00 -0.75 0.00 0.00 64.21 59.39 1cej n SER 94 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1cej s SER 95 N -4.03 1.25 0.00 -3.46 1.04 -1.24 -4.88 113.70 102.39 1cej s SER 95 Ca 0.04 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.25 1cej s SER 95 Cb -0.01 -1.14 0.00 0.00 0.10 0.00 0.00 66.02 64.98 1cej s SER 95 CO 0.60 -3.94 0.00 -0.46 0.98 0.00 0.00 173.24 170.42