#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 2.82 -3.21 2.41 2.08 -1.26 -4.63 119.36 117.57 1cej n ILE 2 Ca 0.00 -2.10 -0.23 0.00 0.56 0.00 0.00 62.75 60.98 1cej n ILE 2 Cb 0.00 -0.37 -0.06 0.00 -0.75 0.00 0.00 39.64 38.46 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 -0.79 1.14 0.00 4.38 7.64 -1.26 -4.84 113.62 119.88 1cej n SER 3 Ca 0.42 -2.94 0.00 0.00 1.01 0.00 0.00 58.87 57.36 1cej n SER 3 Cb 1.31 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 1cej n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cej n GLN 4 N 0.97 0.00 -0.15 1.43 1.13 -1.26 -4.84 117.38 114.65 1cej n GLN 4 Ca 0.24 0.00 0.06 0.00 -1.94 0.00 0.00 57.00 55.36 1cej n GLN 4 Cb 0.53 -0.25 0.19 0.00 0.11 0.00 0.00 30.24 30.83 1cej n GLN 4 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 1cej n HIS 5 N -1.66 0.40 -0.94 1.08 1.44 -1.26 -3.90 115.22 110.38 1cej n HIS 5 Ca 0.00 -0.20 -0.22 0.00 -2.01 0.00 0.00 57.72 55.29 1cej n HIS 5 Cb 0.00 0.00 0.14 0.00 0.12 0.00 0.00 29.99 30.25 1cej n HIS 5 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 1cej n GLN 6 N 0.44 2.12 0.00 -1.40 0.00 -1.26 -4.57 117.38 112.71 1cej n GLN 6 Ca 0.12 -2.59 0.00 0.00 -0.00 0.00 0.00 57.00 54.53 1cej n GLN 6 Cb 0.29 -2.02 0.00 0.00 0.00 0.00 0.00 30.24 28.51 1cej n GLN 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1cej n VAL 8 N 0.00 0.00 -3.49 0.00 0.31 -1.26 -4.94 118.33 108.95 1cej n VAL 8 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 1cej n VAL 8 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 1cej n VAL 8 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1cej n LYS 9 N 0.00 2.77 -2.94 5.55 4.81 -1.26 -5.06 118.16 122.03 1cej n LYS 9 Ca 0.00 -4.58 -0.24 0.00 -0.87 0.00 0.00 58.31 52.62 1cej n LYS 9 Cb 0.00 -2.35 0.01 0.00 0.02 0.00 0.00 35.03 32.71 1cej n LYS 9 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1cej s LYS 10 N -2.09 3.22 0.00 1.64 -0.14 -1.26 -4.98 119.74 116.14 1cej s LYS 10 Ca 0.33 -0.28 0.16 0.00 -1.36 0.00 0.00 55.97 54.83 1cej s LYS 10 Cb 0.04 -2.51 0.47 0.00 -1.68 0.00 0.00 37.83 34.15 1cej s LYS 10 CO -0.05 -0.22 1.38 0.94 -0.76 0.00 0.00 175.35 176.65 1cej n GLN 11 N -2.11 2.12 -1.68 1.68 -0.06 -1.26 -4.95 117.38 111.12 1cej n GLN 11 Ca 0.00 -1.72 -0.43 0.00 -2.00 0.00 0.00 57.00 52.85 1cej n GLN 11 Cb 0.57 -1.39 -0.01 0.00 -4.06 0.00 0.00 30.24 25.35 1cej n GLN 11 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1cej s PRO 13 N -1.79 1.55 1.31 0.00 0.04 -1.26 -5.03 135.00 129.82 1cej s PRO 13 Ca 0.56 -1.00 -0.19 0.00 0.04 0.00 0.00 61.00 60.40 1cej s PRO 13 Cb -0.60 -2.26 0.33 0.00 0.04 0.00 0.00 34.50 32.01 1cej s PRO 13 CO 0.62 -1.57 0.99 -0.65 0.04 0.00 0.00 177.00 176.42 1cej s GLN 14 N -5.24 -2.10 -1.64 4.56 -0.21 -1.26 -2.89 119.66 110.88 1cej s GLN 14 Ca 0.67 0.28 0.00 0.00 0.02 0.00 0.00 55.36 56.34 1cej s GLN 14 Cb -0.05 -1.46 0.00 0.00 1.00 0.00 0.00 33.01 32.50 1cej s GLN 14 CO 0.45 -4.36 0.00 0.09 -2.12 0.00 0.00 175.29 169.35 1cej n ASN 15 N -5.29 -4.35 -3.65 5.90 3.02 -1.26 -4.86 115.26 104.77 1cej n ASN 15 Ca 0.10 0.34 -0.04 0.00 -0.03 0.00 0.00 54.58 54.94 1cej n ASN 15 Cb 0.58 -3.89 -0.06 0.00 -0.61 0.00 0.00 39.78 35.80 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 -2.29 -0.94 0.37 6.41 0.15 -1.14 0.88 113.70 117.13 1cej s SER 16 Ca 0.00 1.45 0.07 0.00 0.70 0.00 0.00 55.95 58.17 1cej s SER 16 Cb 0.00 1.80 -0.01 0.00 -1.71 0.00 0.00 66.02 66.10 1cej s SER 16 CO 0.00 -0.23 0.43 -0.83 1.20 0.00 0.00 173.24 173.82 1cej s GLY 17 N 2.36 1.82 0.34 9.45 0.00 -0.36 -4.57 107.32 116.36 1cej s GLY 17 Ca -0.07 -1.63 0.04 0.00 0.00 0.00 0.00 44.72 43.06 1cej s GLY 17 CO -0.18 -1.51 0.51 0.00 0.00 0.00 0.00 173.10 171.92 1cej s PHE 19 N -2.25 -1.06 -1.12 0.00 5.36 -0.80 -4.82 117.98 113.28 1cej s PHE 19 Ca 0.43 0.42 -0.09 0.00 -0.96 0.00 0.00 56.93 56.73 1cej s PHE 19 Cb -0.10 -0.11 0.27 0.00 -0.34 0.00 0.00 43.02 42.75 1cej s PHE 19 CO 0.33 -0.97 1.18 -2.13 -1.46 0.00 0.00 175.22 172.17 1cej n ARG 20 N 5.36 3.63 -3.70 10.12 0.63 -1.26 -2.48 116.66 128.96 1cej n ARG 20 Ca 0.01 -4.42 -0.13 0.00 -0.92 0.00 0.00 57.85 52.38 1cej n ARG 20 Cb 0.50 -2.58 -0.09 0.00 0.45 0.00 0.00 32.46 30.74 1cej n ARG 20 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1cej s HIS 21 N -1.24 -0.58 0.00 -0.14 3.76 -1.26 -4.81 115.29 111.02 1cej s HIS 21 Ca 0.32 1.40 0.00 0.00 -0.15 0.00 0.00 55.06 56.63 1cej s HIS 21 Cb -0.08 0.21 0.00 0.00 1.11 0.00 0.00 32.58 33.82 1cej s HIS 21 CO -0.06 -0.28 0.00 1.28 -0.85 0.00 0.00 174.74 174.83 1cej n LEU 22 N 2.89 0.62 0.00 0.89 4.32 -1.26 -4.62 117.00 119.84 1cej n LEU 22 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 1cej n LEU 22 Cb 0.56 -0.99 0.00 0.00 -1.62 0.00 0.00 43.42 41.37 1cej n LEU 22 CO 0.09 -0.33 0.09 -0.90 -1.22 0.00 0.00 177.39 175.12 1cej n ASP 23 N -0.05 0.35 -1.71 -1.43 5.68 -1.26 -4.98 116.55 113.15 1cej n ASP 23 Ca 0.00 -0.75 -0.15 0.00 -0.50 0.00 0.00 54.79 53.38 1cej n ASP 23 Cb 0.02 0.17 -0.05 0.00 -1.14 0.00 0.00 41.12 40.13 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 -0.17 -1.53 -3.50 0.11 1.02 -1.26 -4.88 120.64 110.42 1cej n GLU 24 Ca 0.00 0.86 -0.15 0.00 -0.02 0.00 0.00 57.16 57.84 1cej n GLU 24 Cb 0.08 -5.23 -0.05 0.00 -0.02 0.00 0.00 31.44 26.22 1cej n GLU 24 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1cej s ARG 25 N -3.77 1.12 -0.19 3.49 1.70 -1.26 -5.05 118.95 114.99 1cej s ARG 25 Ca 0.00 -0.08 -0.26 0.00 -0.47 0.00 0.00 55.73 54.92 1cej s ARG 25 Cb 0.00 0.52 -0.01 0.00 -0.57 0.00 0.00 34.95 34.89 1cej s ARG 25 CO 0.00 -0.41 0.89 -1.21 -1.08 0.00 0.00 175.30 173.49 1cej s GLU 26 N -2.25 4.28 0.36 3.89 8.01 -1.26 -4.12 118.70 127.62 1cej s GLU 26 Ca -0.06 1.11 0.07 0.00 0.01 0.00 0.00 54.97 56.10 1cej s GLU 26 Cb -0.01 -3.60 -0.02 0.00 -4.31 0.00 0.00 34.13 26.20 1cej s GLU 26 CO 0.00 -0.42 0.37 -1.21 0.01 0.00 0.00 175.26 174.02 1cej s GLU 27 N 2.47 2.77 -0.37 1.61 2.02 -1.03 -4.87 118.70 121.30 1cej s GLU 27 Ca 0.40 -1.29 0.03 0.00 0.02 0.00 0.00 54.97 54.13 1cej s GLU 27 Cb -0.16 -2.55 0.11 0.00 0.10 0.00 0.00 34.13 31.63 1cej s GLU 27 CO 0.11 -0.01 0.11 0.00 0.02 0.00 0.00 175.26 175.48 1cej s LYS 29 N 0.81 3.09 0.74 0.00 2.20 -0.87 -4.95 119.74 120.75 1cej s LYS 29 Ca 0.12 -0.38 -0.14 0.00 -0.36 0.00 0.00 55.97 55.20 1cej s LYS 29 Cb -0.20 -2.89 0.04 0.00 -1.51 0.00 0.00 37.83 33.27 1cej s LYS 29 CO -0.09 0.70 1.19 0.00 -0.36 0.00 0.00 175.35 176.78 1cej n LEU 31 N -2.82 0.00 -4.80 0.00 4.77 0.25 -4.63 117.00 109.77 1cej n LEU 31 Ca 0.13 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.79 1cej n LEU 31 Cb 0.51 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.63 1cej n LEU 31 CO 0.48 -0.83 0.71 -0.76 -1.33 0.00 0.00 177.39 175.66 1cej s LEU 32 N 0.00 3.31 -0.96 2.23 1.43 -1.26 -2.76 118.68 120.67 1cej s LEU 32 Ca 0.00 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.86 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 -1.40 0.00 0.59 0.23 0.00 0.00 176.35 175.77 1cej n ASN 33 N -2.61 -5.78 -3.96 2.29 5.03 -1.26 -4.92 115.26 104.04 1cej n ASN 33 Ca 0.08 0.22 -0.29 0.00 0.87 0.00 0.00 54.58 55.46 1cej n ASN 33 Cb 0.53 -4.08 -0.16 0.00 -1.02 0.00 0.00 39.78 35.05 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 -1.77 2.08 0.56 3.10 2.02 -1.11 0.65 117.35 122.87 1cej s TYR 34 Ca 0.00 -1.29 0.09 0.00 -0.37 0.00 0.00 57.07 55.49 1cej s TYR 34 Cb 0.00 -1.50 0.09 0.00 -0.40 0.00 0.00 41.96 40.15 1cej s TYR 34 CO 0.00 -0.67 0.74 0.36 -1.57 0.00 0.00 175.55 174.40 1cej n LYS 35 N 4.78 0.63 -4.13 -0.62 2.85 -0.42 -4.50 118.16 116.75 1cej n LYS 35 Ca -0.14 -3.05 -0.35 0.00 -1.05 0.00 0.00 58.31 53.72 1cej n LYS 35 Cb 0.48 -0.17 -0.08 0.00 -0.65 0.00 0.00 35.03 34.61 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 -4.50 3.14 -0.43 -1.58 -0.21 -1.26 -1.44 119.66 113.37 1cej s GLN 36 Ca 0.56 -0.37 0.07 0.00 0.02 0.00 0.00 55.36 55.64 1cej s GLN 36 Cb -0.04 -2.92 0.18 0.00 1.00 0.00 0.00 33.01 31.22 1cej s GLN 36 CO 0.35 0.70 0.61 -2.00 -2.12 0.00 0.00 175.29 172.84 1cej s GLU 37 N -1.28 0.87 1.91 2.91 2.12 -1.21 -4.85 118.70 119.16 1cej s GLU 37 Ca 0.18 -0.60 0.00 0.00 0.36 0.00 0.00 54.97 54.91 1cej s GLU 37 Cb -0.12 -0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.18 1cej s GLU 37 CO 0.08 -1.23 0.00 0.41 -0.54 0.00 0.00 175.26 173.97 1cej n GLY 38 N 3.97 1.26 0.00 -1.50 0.00 -1.26 -3.77 105.19 103.89 1cej n GLY 38 Ca 0.13 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 3.24 0.87 -3.80 1.61 9.92 -1.26 -5.02 116.55 122.10 1cej n ASP 39 Ca 0.00 -1.29 -0.16 0.00 -0.53 0.00 0.00 54.79 52.81 1cej n ASP 39 Cb 0.00 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.32 1cej n ASP 39 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1cej s LYS 40 N -0.29 0.13 0.22 -1.24 1.02 -1.25 -5.03 119.74 113.30 1cej s LYS 40 Ca 0.00 0.12 -0.30 0.00 0.02 0.00 0.00 55.97 55.81 1cej s LYS 40 Cb 0.00 -0.35 -0.09 0.00 -0.52 0.00 0.00 37.83 36.87 1cej s LYS 40 CO 0.00 -0.14 1.24 0.00 -0.92 0.00 0.00 175.35 175.52 1cej n VAL 42 N 2.11 0.00 -2.55 0.00 0.24 -0.52 -4.86 118.33 112.75 1cej n VAL 42 Ca 0.03 -2.05 -0.42 0.00 -2.04 0.00 0.00 64.34 59.86 1cej n VAL 42 Cb 0.44 -0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.66 1cej n VAL 42 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1cej s GLU 43 N -4.21 4.42 -0.20 7.34 2.12 -1.26 -1.30 118.70 125.61 1cej s GLU 43 Ca 0.34 1.59 -0.04 0.00 0.36 0.00 0.00 54.97 57.22 1cej s GLU 43 Cb -0.03 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.86 1cej s GLU 43 CO 0.22 -0.30 -0.04 1.21 -0.54 0.00 0.00 175.26 175.81 1cej s ASN 44 N 1.22 4.47 0.10 -1.70 3.04 0.21 -4.76 114.94 117.53 1cej s ASN 44 Ca 0.54 -0.30 0.23 0.00 0.04 0.00 0.00 52.86 53.38 1cej s ASN 44 Cb -0.24 -1.75 0.18 0.00 -1.54 0.00 0.00 41.25 37.90 1cej s ASN 44 CO 0.24 0.05 1.17 -0.81 -3.04 0.00 0.00 177.10 174.70 1cej n PRO 45 N 4.35 0.34 -3.60 0.43 -0.05 -1.26 -4.58 135.00 130.63 1cej n PRO 45 Ca -0.18 0.06 -0.28 0.00 -0.05 0.00 0.00 63.50 63.05 1cej n PRO 45 Cb 0.52 -1.67 -0.12 0.00 -0.05 0.00 0.00 33.50 32.18 1cej n PRO 45 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 175.50 176.66 1cej s ASN 46 N -4.29 3.03 0.53 3.54 2.47 -1.26 -4.80 114.94 114.16 1cej s ASN 46 Ca 0.04 -2.90 -0.01 0.00 0.42 0.00 0.00 52.86 50.41 1cej s ASN 46 Cb 0.13 -0.84 0.02 0.00 -1.45 0.00 0.00 41.25 39.11 1cej s ASN 46 CO 0.76 -0.21 0.78 -2.16 -3.72 0.00 0.00 177.10 172.55 1cej s PRO 47 N 0.07 2.77 0.37 0.43 0.04 -1.26 -5.13 135.00 132.29 1cej s PRO 47 Ca 0.24 -0.50 -0.07 0.00 0.04 0.00 0.00 61.00 60.71 1cej s PRO 47 Cb -0.12 -2.45 0.03 0.00 0.04 0.00 0.00 34.50 32.00 1cej s PRO 47 CO -0.09 -0.59 0.61 -0.08 0.04 0.00 0.00 177.00 176.89 1cej s THR 48 N -2.76 0.00 -0.08 1.26 -1.32 -1.26 -4.98 115.64 106.50 1cej s THR 48 Ca 0.54 -1.36 0.08 0.00 -1.21 0.00 0.00 61.69 59.73 1cej s THR 48 Cb -0.10 -2.79 -0.11 0.00 -1.51 0.00 0.00 72.50 67.99 1cej s THR 48 CO 0.40 0.00 0.04 0.00 -2.21 0.00 0.00 174.62 172.85 1cej h ASN 50 N 0.00 0.00 0.00 0.00 -0.73 -1.98 -1.12 115.58 111.75 1cej h ASN 50 Ca -0.22 0.00 -0.60 0.00 1.87 0.00 0.00 56.30 57.34 1cej h ASN 50 Cb 1.48 0.00 0.02 0.00 0.27 0.00 0.00 38.32 40.09 1cej h ASN 50 CO 0.01 0.00 2.74 -1.84 -0.37 0.00 0.00 177.43 177.98 1cej n GLU 51 N -2.70 2.20 -4.16 6.67 0.28 -1.26 -4.48 120.64 117.19 1cej n GLU 51 Ca -0.02 -1.98 -0.34 0.00 -0.16 0.00 0.00 57.16 54.66 1cej n GLU 51 Cb 0.14 -2.89 -0.05 0.00 1.43 0.00 0.00 31.44 30.08 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 5.97 -0.86 -2.93 -1.84 0.23 -1.22 -2.02 115.26 112.59 1cej n ASN 52 Ca 0.52 -1.22 -0.05 0.00 -0.53 0.00 0.00 54.58 53.29 1cej n ASN 52 Cb 0.32 -1.97 0.03 0.00 -2.08 0.00 0.00 39.78 36.08 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 -2.71 -6.64 -0.07 0.53 5.15 -0.43 -4.96 115.26 106.14 1cej n ASN 53 Ca -0.26 -0.29 -0.13 0.00 -0.60 0.00 0.00 54.58 53.30 1cej n ASN 53 Cb 0.66 -4.69 -0.12 0.00 -0.53 0.00 0.00 39.78 35.10 1cej n ASN 53 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1cej h GLY 54 N -0.16 0.00 2.00 8.20 0.00 -1.46 -3.30 103.07 108.35 1cej h GLY 54 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1cej h GLY 54 CO 0.31 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.52 1cej h GLY 55 N -1.00 0.00 -3.52 4.60 0.00 -1.83 -3.45 103.07 97.88 1cej h GLY 55 Ca -0.01 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.71 1cej h GLY 55 CO -0.01 0.00 -0.67 0.00 0.00 0.00 0.00 176.54 175.86 1cej n ASP 57 N -0.11 0.00 0.00 0.00 5.75 -1.17 -4.68 116.55 116.33 1cej n ASP 57 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.68 1cej n ASP 57 Cb 0.55 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 1cej n ASP 57 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cej n ALA 58 N -3.00 0.00 0.00 2.12 0.00 -1.26 -4.81 120.51 113.55 1cej n ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cej n ALA 58 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1cej n ALA 58 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1cej n ASP 59 N 0.00 3.28 -3.71 0.00 5.75 -1.26 -5.05 116.55 115.55 1cej n ASP 59 Ca 0.00 -0.10 -0.30 0.00 -0.01 0.00 0.00 54.79 54.37 1cej n ASP 59 Cb 0.00 0.86 0.25 0.00 -1.03 0.00 0.00 41.12 41.20 1cej n ASP 59 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cej s ALA 60 N -1.52 0.61 -0.22 2.12 0.00 -1.26 -4.89 121.76 116.60 1cej s ALA 60 Ca 0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 51.96 50.86 1cej s ALA 60 Cb 0.00 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 1cej s ALA 60 CO 0.00 -3.65 0.09 0.15 0.00 0.00 0.00 175.76 172.35 1cej s LYS 61 N -5.47 3.87 0.32 0.00 -0.14 -0.97 -4.87 119.74 112.47 1cej s LYS 61 Ca 0.72 -0.38 -0.01 0.00 -1.36 0.00 0.00 55.97 54.93 1cej s LYS 61 Cb -0.08 -3.35 -0.04 0.00 -1.68 0.00 0.00 37.83 32.68 1cej s LYS 61 CO 0.56 0.03 0.54 0.00 -0.76 0.00 0.00 175.35 175.71 1cej s THR 63 N -2.21 0.02 0.00 0.00 -4.23 -0.54 -4.97 115.64 103.71 1cej s THR 63 Ca 0.41 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 1cej s THR 63 Cb -0.10 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 72.80 1cej s THR 63 CO 0.34 -0.07 0.00 -1.84 -0.54 0.00 0.00 174.62 172.51 1cej n GLU 64 N 0.78 0.00 -2.58 3.99 0.28 -1.26 -1.43 120.64 120.42 1cej n GLU 64 Ca -0.19 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.40 1cej n GLU 64 Cb 0.58 -0.21 -0.05 0.00 1.43 0.00 0.00 31.44 33.19 1cej n GLU 64 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1cej s GLU 65 N 0.00 4.68 0.53 3.44 2.02 -1.26 -4.79 118.70 123.32 1cej s GLU 65 Ca 0.00 1.66 0.00 0.00 0.02 0.00 0.00 54.97 56.65 1cej s GLU 65 Cb 0.00 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 30.97 1cej s GLU 65 CO 0.00 0.24 0.00 -3.47 0.02 0.00 0.00 175.26 172.05 1cej n ASP 66 N 1.85 -7.20 0.00 -0.19 -0.08 -1.26 -5.04 116.55 104.63 1cej n ASP 66 Ca 0.00 1.51 0.00 0.00 -1.51 0.00 0.00 54.79 54.79 1cej n ASP 66 Cb 0.46 -4.34 0.00 0.00 2.34 0.00 0.00 41.12 39.58 1cej n ASP 66 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1cej n SER 67 N -3.10 0.00 0.00 1.67 3.41 -1.26 -4.93 113.62 109.41 1cej n SER 67 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1cej n SER 67 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1cej n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cej n GLY 68 N 0.00 3.01 3.25 5.00 0.00 -1.26 -5.09 105.19 110.10 1cej n GLY 68 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1cej n GLY 68 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cej s SER 69 N 2.00 0.02 -0.65 1.61 1.04 -1.26 -4.98 113.70 111.48 1cej s SER 69 Ca 0.00 -0.57 -0.01 0.00 0.48 0.00 0.00 55.95 55.85 1cej s SER 69 Cb 0.00 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 1cej s SER 69 CO 0.00 -0.77 0.60 0.59 0.98 0.00 0.00 173.24 174.64 1cej n ASN 70 N -0.12 -6.60 0.00 7.02 4.13 -1.26 -4.91 115.26 113.52 1cej n ASN 70 Ca -0.15 -0.15 0.00 0.00 1.68 0.00 0.00 54.58 55.97 1cej n ASN 70 Cb 0.63 -4.51 0.00 0.00 -1.54 0.00 0.00 39.78 34.36 1cej n ASN 70 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1cej n GLY 71 N -1.57 2.36 3.26 7.41 0.00 -1.26 -5.09 105.19 110.29 1cej n GLY 71 Ca -0.01 -1.06 -0.28 0.00 0.00 0.00 0.00 46.02 44.67 1cej n GLY 71 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1cej n LYS 72 N 1.11 -3.66 -3.76 1.61 0.00 -1.26 -4.80 118.16 107.39 1cej n LYS 72 Ca 0.00 -1.07 -0.10 0.00 -0.00 0.00 0.00 58.31 57.14 1cej n LYS 72 Cb 0.00 -1.90 -0.05 0.00 -0.00 0.00 0.00 35.03 33.08 1cej n LYS 72 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1cej s LYS 73 N -4.51 1.25 0.11 -1.58 1.02 -1.26 -5.00 119.74 109.77 1cej s LYS 73 Ca 0.62 -0.90 0.05 0.00 0.02 0.00 0.00 55.97 55.77 1cej s LYS 73 Cb -0.15 0.48 -0.04 0.00 -0.52 0.00 0.00 37.83 37.60 1cej s LYS 73 CO 0.56 -0.51 -0.13 0.42 -0.92 0.00 0.00 175.35 174.77 1cej s ILE 74 N -3.88 1.21 0.07 2.17 -1.09 -1.26 -4.79 121.20 113.64 1cej s ILE 74 Ca 0.09 -1.63 0.04 0.00 -2.23 0.00 0.00 60.65 56.92 1cej s ILE 74 Cb 0.01 -1.42 -0.03 0.00 -1.58 0.00 0.00 42.46 39.44 1cej s ILE 74 CO -0.04 -0.41 -0.12 -0.89 -1.23 0.00 0.00 174.94 172.25 1cej s THR 75 N -2.06 0.94 -0.10 2.92 2.01 -0.52 -5.02 115.64 113.81 1cej s THR 75 Ca 0.06 -1.36 -0.20 0.00 0.31 0.00 0.00 61.69 60.50 1cej s THR 75 Cb -0.05 -1.06 0.05 0.00 0.01 0.00 0.00 72.50 71.45 1cej s THR 75 CO 0.02 -0.36 0.49 0.00 -0.69 0.00 0.00 174.62 174.08 1cej s GLU 77 N -0.63 0.29 -0.91 0.00 2.12 -1.00 -4.95 118.70 113.63 1cej s GLU 77 Ca -0.07 0.92 -0.20 0.00 0.36 0.00 0.00 54.97 55.98 1cej s GLU 77 Cb -0.03 0.17 0.10 0.00 0.26 0.00 0.00 34.13 34.63 1cej s GLU 77 CO 0.04 -0.31 1.18 0.00 -0.54 0.00 0.00 175.26 175.63 1cej n THR 79 N 5.88 0.10 -0.49 0.00 5.66 -1.26 -4.86 114.28 119.30 1cej n THR 79 Ca 0.22 -0.05 -0.27 0.00 -3.05 0.00 0.00 64.05 60.89 1cej n THR 79 Cb 0.49 -0.38 0.21 0.00 -1.55 0.00 0.00 70.33 69.10 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 -1.64 -2.72 -0.09 1.09 4.01 -1.26 -4.96 118.16 112.58 1cej n LYS 80 Ca 0.06 -0.79 -0.17 0.00 -0.51 0.00 0.00 58.31 56.90 1cej n LYS 80 Cb 0.36 -1.78 -0.09 0.00 -0.51 0.00 0.00 35.03 33.01 1cej n LYS 80 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 1cej h PRO 81 N -2.72 0.00 -0.44 1.97 0.14 -2.02 -3.33 132.00 125.59 1cej h PRO 81 Ca -0.45 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.69 1cej h PRO 81 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.34 1cej h PRO 81 CO 0.32 0.78 0.00 -0.25 0.14 0.00 0.00 178.00 178.98 1cej n ASP 82 N -4.49 0.44 -4.69 1.44 8.00 -1.26 -4.80 116.55 111.19 1cej n ASP 82 Ca -0.25 -1.97 -0.42 0.00 0.71 0.00 0.00 54.79 52.86 1cej n ASP 82 Cb 0.56 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 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 -0.57 7.27 -0.41 -2.24 1.04 -1.25 0.18 113.70 117.72 1cej s SER 83 Ca 0.00 1.58 0.06 0.00 0.48 0.00 0.00 55.95 58.07 1cej s SER 83 Cb 0.00 -2.56 0.21 0.00 0.10 0.00 0.00 66.02 63.77 1cej s SER 83 CO 0.00 -0.40 0.47 -1.22 0.98 0.00 0.00 173.24 173.07 1cej n TYR 84 N 4.69 -1.02 -0.71 5.02 4.02 -1.25 -4.72 117.16 123.20 1cej n TYR 84 Ca 0.08 -3.20 -0.23 0.00 -0.01 0.00 0.00 57.90 54.54 1cej n TYR 84 Cb 0.49 0.15 -0.01 0.00 -0.02 0.00 0.00 39.34 39.96 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 2.16 0.00 -0.02 -0.72 -0.01 -1.26 -4.32 135.00 130.83 1cej n PRO 85 Ca 0.24 0.00 -0.06 0.00 -0.01 0.00 0.00 63.50 63.67 1cej n PRO 85 Cb 0.52 -0.53 -0.02 0.00 -0.01 0.00 0.00 33.50 33.46 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 1.18 0.83 -0.00 2.45 4.77 -1.26 -4.78 117.00 120.18 1cej n LEU 86 Ca 0.07 0.13 0.09 0.00 -0.03 0.00 0.00 56.01 56.27 1cej n LEU 86 Cb 0.18 -0.30 -0.11 0.00 -2.33 0.00 0.00 43.42 40.86 1cej n LEU 86 CO 0.29 -0.15 -0.16 0.49 -1.33 0.00 0.00 177.39 176.53 1cej n PHE 87 N -3.49 0.00 0.00 -1.77 3.72 -1.26 -4.92 117.46 109.75 1cej n PHE 87 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1cej n PHE 87 Cb 0.42 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 1cej n PHE 87 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1cej n ASP 88 N -1.55 0.00 0.00 4.37 2.03 -1.26 -4.94 116.55 115.20 1cej n ASP 88 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1cej n ASP 88 Cb 0.32 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 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 0.00 0.00 0.51 0.27 0.00 -1.26 -4.85 105.19 99.86 1cej n GLY 89 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 0.22 -2.68 -0.61 -5.35 -1.26 -3.07 119.36 106.61 1cej n ILE 90 Ca 0.00 -0.33 -0.08 0.00 -0.27 0.00 0.00 62.75 62.08 1cej n ILE 90 Cb 0.00 0.29 0.08 0.00 -1.74 0.00 0.00 39.64 38.28 1cej n ILE 90 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1cej n PHE 91 N 0.24 -1.00 -2.64 4.28 3.72 -1.26 -3.42 117.46 117.38 1cej n PHE 91 Ca 0.15 -2.27 -0.43 0.00 -0.05 0.00 0.00 57.45 54.86 1cej n PHE 91 Cb 0.30 0.80 -0.02 0.00 -0.94 0.00 0.00 39.48 39.62 1cej n PHE 91 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cej s SER 93 N 1.25 -0.09 0.00 0.00 0.15 -1.22 -4.59 113.70 109.20 1cej s SER 93 Ca 0.47 0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.14 1cej s SER 93 Cb -0.17 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1cej s SER 93 CO 0.11 -0.14 0.00 -0.24 1.20 0.00 0.00 173.24 174.17 1cej n SER 94 N 0.05 0.00 0.00 5.45 2.88 0.13 -3.74 113.62 118.40 1cej n SER 94 Ca 0.02 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1cej n SER 94 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1cej n SER 94 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1cej n SER 95 N -0.00 0.00 0.00 -3.46 2.88 -1.26 -4.92 113.62 106.86 1cej n SER 95 Ca 0.00 -0.83 0.00 0.00 -1.33 0.00 0.00 58.87 56.71 1cej n SER 95 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1cej n SER 95 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40