#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cej s ILE 2 N 0.00 4.00 0.49 2.41 -1.09 -1.26 -4.97 121.20 120.77 1cej s ILE 2 Ca 0.00 -1.16 -0.01 0.00 -2.23 0.00 0.00 60.65 57.25 1cej s ILE 2 Cb 0.00 -5.10 0.00 0.00 -1.58 0.00 0.00 42.46 35.78 1cej s ILE 2 CO 0.00 -1.96 0.73 -0.44 -1.23 0.00 0.00 174.94 172.03 1cej s SER 3 N 4.71 5.76 0.12 3.58 0.01 -1.26 -4.94 113.70 121.68 1cej s SER 3 Ca 0.49 0.37 0.13 0.00 1.31 0.00 0.00 55.95 58.25 1cej s SER 3 Cb 0.01 -1.55 0.61 0.00 0.21 0.00 0.00 66.02 65.31 1cej s SER 3 CO -0.04 -0.80 1.40 0.00 0.41 0.00 0.00 173.24 174.21 1cej n GLN 4 N -2.20 0.07 0.24 12.44 1.13 -1.15 -1.47 117.38 126.43 1cej n GLN 4 Ca 0.02 0.45 0.16 0.00 -1.94 0.00 0.00 57.00 55.70 1cej n GLN 4 Cb 0.58 -1.67 0.80 0.00 0.11 0.00 0.00 30.24 30.06 1cej n GLN 4 CO 0.00 0.00 0.00 1.12 -1.44 0.00 0.00 177.06 176.74 1cej h HIS 5 N 0.00 0.00 -1.01 1.08 2.07 -1.92 -3.42 115.15 111.95 1cej h HIS 5 Ca 0.00 0.00 -0.41 0.00 -2.85 0.00 0.00 60.37 57.11 1cej h HIS 5 Cb 0.13 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.09 1cej h HIS 5 CO 0.00 0.00 1.48 0.94 -3.07 0.00 0.00 177.93 177.28 1cej n GLN 6 N -2.68 0.70 -2.15 5.12 -0.06 -0.55 -3.79 117.38 113.97 1cej n GLN 6 Ca -0.01 -0.11 -0.34 0.00 -2.00 0.00 0.00 57.00 54.54 1cej n GLN 6 Cb 0.13 -2.93 0.01 0.00 -4.06 0.00 0.00 30.24 23.38 1cej n GLN 6 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1cej n VAL 8 N -1.68 0.00 -1.05 0.00 0.31 -1.26 -4.58 118.33 110.06 1cej n VAL 8 Ca 0.10 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.14 1cej n VAL 8 Cb 0.52 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.41 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 2.87 0.00 5.55 4.81 -1.26 -4.34 118.16 125.79 1cej n LYS 9 Ca 0.00 -1.75 0.00 0.00 -0.87 0.00 0.00 58.31 55.69 1cej n LYS 9 Cb 0.00 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 32.50 1cej n LYS 9 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1cej n LYS 10 N 3.62 0.00 -1.31 1.64 0.00 -1.26 -5.11 118.16 115.74 1cej n LYS 10 Ca 0.61 0.00 0.16 0.00 0.00 0.00 0.00 58.31 59.08 1cej n LYS 10 Cb 0.28 -0.29 -0.07 0.00 0.00 0.00 0.00 35.03 34.95 1cej n LYS 10 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1cej n GLN 11 N -2.20 -2.94 0.00 1.64 7.27 -1.26 -5.06 117.38 114.84 1cej n GLN 11 Ca 0.00 2.30 0.00 0.00 0.07 0.00 0.00 57.00 59.37 1cej n GLN 11 Cb 0.00 -3.47 0.00 0.00 2.41 0.00 0.00 30.24 29.18 1cej n GLN 11 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1cej n PRO 13 N -0.04 0.00 -1.08 0.00 -0.01 -1.26 -4.85 135.00 127.75 1cej n PRO 13 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 63.50 63.19 1cej n PRO 13 Cb 0.00 -0.56 0.24 0.00 -0.01 0.00 0.00 33.50 33.17 1cej n PRO 13 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 175.50 176.63 1cej s GLN 14 N -0.69 -1.23 -1.81 -0.52 0.00 -1.26 -3.28 119.66 110.87 1cej s GLN 14 Ca 0.29 -0.07 0.00 0.00 -0.00 0.00 0.00 55.36 55.58 1cej s GLN 14 Cb -0.23 -1.60 0.00 0.00 0.00 0.00 0.00 33.01 31.18 1cej s GLN 14 CO 0.39 -3.72 0.00 0.09 0.00 0.00 0.00 175.29 172.05 1cej n ASN 15 N -4.76 -4.72 -3.72 12.60 5.03 -1.26 -4.82 115.26 113.62 1cej n ASN 15 Ca 0.13 0.37 -0.14 0.00 0.87 0.00 0.00 54.58 55.82 1cej n ASN 15 Cb 0.59 -4.19 -0.09 0.00 -1.02 0.00 0.00 39.78 35.08 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 -2.42 -0.34 0.11 6.41 0.15 -1.20 0.10 113.70 116.51 1cej s SER 16 Ca 0.00 0.42 0.08 0.00 0.70 0.00 0.00 55.95 57.16 1cej s SER 16 Cb 0.00 0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 64.80 1cej s SER 16 CO 0.00 -0.37 -0.21 -0.83 1.20 0.00 0.00 173.24 173.03 1cej s GLY 17 N -0.81 1.25 0.80 9.45 0.00 -0.43 -4.79 107.32 112.79 1cej s GLY 17 Ca -0.09 -1.26 -0.11 0.00 0.00 0.00 0.00 44.72 43.26 1cej s GLY 17 CO 0.04 -1.26 1.10 0.00 0.00 0.00 0.00 173.10 172.97 1cej s PHE 19 N -3.14 -1.46 0.00 0.00 5.36 -0.41 -4.88 117.98 113.46 1cej s PHE 19 Ca 0.61 0.66 0.00 0.00 -0.96 0.00 0.00 56.93 57.24 1cej s PHE 19 Cb -0.15 0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.63 1cej s PHE 19 CO 0.54 -1.05 0.00 -2.13 -1.46 0.00 0.00 175.22 171.12 1cej n ARG 20 N 5.30 0.00 0.00 10.12 0.63 -1.25 -2.25 116.66 129.21 1cej n ARG 20 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 1cej n ARG 20 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1cej n ARG 20 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1cej n HIS 21 N 0.00 -0.35 -1.08 -0.14 8.25 -1.26 -4.36 115.22 116.28 1cej n HIS 21 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 1cej n HIS 21 Cb 0.00 0.13 -0.02 0.00 1.12 0.00 0.00 29.99 31.22 1cej n HIS 21 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1cej n LEU 22 N 0.00 0.41 0.00 2.41 7.99 -1.26 -2.44 117.00 124.11 1cej n LEU 22 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 56.01 56.11 1cej n LEU 22 Cb 0.00 -2.45 0.00 0.00 -0.11 0.00 0.00 43.42 40.86 1cej n LEU 22 CO 0.00 -0.96 0.00 -0.90 -1.51 0.00 0.00 177.39 174.02 1cej n ASP 23 N -0.85 0.00 -0.10 -1.43 5.68 -1.26 -3.62 116.55 114.96 1cej n ASP 23 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.25 1cej n ASP 23 Cb 0.51 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 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 0.00 -3.89 0.11 1.02 -1.02 -5.10 120.64 111.77 1cej n GLU 24 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 1cej n GLU 24 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.28 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 0.00 3.08 0.14 3.49 0.52 -1.06 -5.03 118.95 120.09 1cej s ARG 25 Ca 0.00 -0.83 0.08 0.00 -0.52 0.00 0.00 55.73 54.46 1cej s ARG 25 Cb 0.00 -3.10 -0.04 0.00 0.52 0.00 0.00 34.95 32.33 1cej s ARG 25 CO 0.00 -0.35 -0.10 -1.21 0.02 0.00 0.00 175.30 173.66 1cej s GLU 26 N 1.42 2.07 0.18 3.54 8.01 -1.26 -4.30 118.70 128.36 1cej s GLU 26 Ca 0.03 -1.14 -0.16 0.00 0.01 0.00 0.00 54.97 53.71 1cej s GLU 26 Cb -0.16 -2.23 0.02 0.00 -4.31 0.00 0.00 34.13 27.45 1cej s GLU 26 CO -0.02 0.47 0.46 -1.83 0.01 0.00 0.00 175.26 174.35 1cej s GLU 27 N -2.47 1.29 -0.40 1.61 -1.05 -0.95 -4.96 118.70 111.76 1cej s GLU 27 Ca 0.23 -0.91 -0.12 0.00 -0.15 0.00 0.00 54.97 54.02 1cej s GLU 27 Cb -0.10 0.48 0.04 0.00 -0.44 0.00 0.00 34.13 34.12 1cej s GLU 27 CO 0.14 -0.53 0.26 0.00 0.95 0.00 0.00 175.26 176.08 1cej s LYS 29 N 1.56 3.03 0.91 0.00 2.20 -0.97 -4.93 119.74 121.54 1cej s LYS 29 Ca 0.03 -0.54 -0.13 0.00 -0.36 0.00 0.00 55.97 54.97 1cej s LYS 29 Cb -0.21 -2.68 0.05 0.00 -1.51 0.00 0.00 37.83 33.48 1cej s LYS 29 CO 0.06 0.53 0.62 0.00 -0.36 0.00 0.00 175.35 176.21 1cej n LEU 31 N -1.94 0.00 -4.78 0.00 4.77 0.28 -4.59 117.00 110.74 1cej n LEU 31 Ca 0.09 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.74 1cej n LEU 31 Cb 0.53 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.65 1cej n LEU 31 CO 0.50 -0.39 0.74 -0.76 -1.33 0.00 0.00 177.39 176.15 1cej s LEU 32 N 0.00 3.43 -0.56 2.23 1.43 -1.26 -2.58 118.68 121.37 1cej s LEU 32 Ca 0.00 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 1cej s LEU 32 Cb 0.00 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.67 1cej s LEU 32 CO 0.00 -1.52 0.00 0.59 0.23 0.00 0.00 176.35 175.65 1cej n ASN 33 N -2.29 -5.80 -3.99 2.29 5.03 -1.26 -4.92 115.26 104.31 1cej n ASN 33 Ca 0.10 0.13 -0.29 0.00 0.87 0.00 0.00 54.58 55.39 1cej n ASN 33 Cb 0.52 -3.80 -0.17 0.00 -1.02 0.00 0.00 39.78 35.31 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 -1.43 1.90 0.00 3.10 2.02 -1.07 0.11 117.35 121.98 1cej s TYR 34 Ca 0.00 -1.00 0.00 0.00 -0.37 0.00 0.00 57.07 55.70 1cej s TYR 34 Cb 0.00 -1.44 0.00 0.00 -0.40 0.00 0.00 41.96 40.12 1cej s TYR 34 CO 0.00 -0.58 0.00 0.36 -1.57 0.00 0.00 175.55 173.77 1cej n LYS 35 N 4.69 1.06 -5.22 -0.62 2.85 -0.21 -4.41 118.16 116.29 1cej n LYS 35 Ca -0.16 -0.01 -0.32 0.00 -1.05 0.00 0.00 58.31 56.77 1cej n LYS 35 Cb 0.50 -0.00 -0.17 0.00 -0.65 0.00 0.00 35.03 34.71 1cej n LYS 35 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1cej s GLN 36 N -2.01 2.97 -0.16 -1.58 0.74 -1.26 -2.05 119.66 116.32 1cej s GLN 36 Ca 0.00 -0.88 -0.04 0.00 0.05 0.00 0.00 55.36 54.49 1cej s GLN 36 Cb -0.00 -2.28 0.08 0.00 1.10 0.00 0.00 33.01 31.90 1cej s GLN 36 CO 0.00 0.21 0.22 -2.00 -0.55 0.00 0.00 175.29 173.17 1cej s GLU 37 N 0.26 0.14 4.45 1.67 2.12 -1.10 -4.92 118.70 121.32 1cej s GLU 37 Ca -0.16 0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.59 1cej s GLU 37 Cb -0.17 -0.69 0.00 0.00 0.26 0.00 0.00 34.13 33.52 1cej s GLU 37 CO 0.08 -0.48 0.00 0.41 -0.54 0.00 0.00 175.26 174.73 1cej n GLY 38 N 5.33 1.38 0.13 -1.50 0.00 -1.26 -2.26 105.19 107.01 1cej n GLY 38 Ca -0.05 0.17 0.01 0.00 0.00 0.00 0.00 46.02 46.14 1cej n GLY 38 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cej n ASP 39 N 8.19 0.55 -3.78 1.61 2.03 -1.26 -5.05 116.55 118.83 1cej n ASP 39 Ca 0.00 -1.60 -0.13 0.00 0.52 0.00 0.00 54.79 53.58 1cej n ASP 39 Cb 0.00 -0.09 -0.14 0.00 -0.72 0.00 0.00 41.12 40.18 1cej n ASP 39 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1cej s LYS 40 N -0.42 0.11 0.58 -0.67 1.02 -0.96 -5.05 119.74 114.35 1cej s LYS 40 Ca 0.03 0.29 -0.18 0.00 0.02 0.00 0.00 55.97 56.12 1cej s LYS 40 Cb 0.02 -0.09 -0.04 0.00 -0.52 0.00 0.00 37.83 37.21 1cej s LYS 40 CO 0.00 -0.11 1.12 0.00 -0.92 0.00 0.00 175.35 175.44 1cej s VAL 42 N -1.98 1.12 -0.19 0.00 -7.23 -0.87 -4.89 120.40 106.36 1cej s VAL 42 Ca 0.70 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 58.57 1cej s VAL 42 Cb -0.22 -2.68 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 1cej s VAL 42 CO 0.32 -0.07 1.61 -1.61 -0.31 0.00 0.00 175.10 175.04 1cej s GLU 43 N -3.89 3.88 -0.14 4.82 2.02 -1.26 -1.05 118.70 123.07 1cej s GLU 43 Ca 0.35 1.76 -0.29 0.00 0.02 0.00 0.00 54.97 56.81 1cej s GLU 43 Cb 0.08 -4.02 -0.01 0.00 0.10 0.00 0.00 34.13 30.29 1cej s GLU 43 CO 0.14 -1.19 1.02 1.21 0.02 0.00 0.00 175.26 176.46 1cej s ASN 44 N 4.00 7.19 0.11 -0.19 3.04 0.29 -4.83 114.94 124.56 1cej s ASN 44 Ca 0.71 1.49 0.24 0.00 0.04 0.00 0.00 52.86 55.34 1cej s ASN 44 Cb -0.26 -2.55 0.21 0.00 -1.54 0.00 0.00 41.25 37.10 1cej s ASN 44 CO 0.28 -0.52 1.19 -0.81 -3.04 0.00 0.00 177.10 174.21 1cej n PRO 45 N 5.43 0.34 -3.38 0.43 -0.05 -1.26 -4.66 135.00 131.84 1cej n PRO 45 Ca 0.10 0.06 -0.19 0.00 -0.05 0.00 0.00 63.50 63.42 1cej n PRO 45 Cb 0.48 -1.68 -0.08 0.00 -0.05 0.00 0.00 33.50 32.16 1cej n PRO 45 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 1cej s ASN 46 N -4.31 1.52 -0.05 3.54 2.20 -1.26 -4.91 114.94 111.67 1cej s ASN 46 Ca 0.04 -1.72 -0.20 0.00 -0.94 0.00 0.00 52.86 50.04 1cej s ASN 46 Cb 0.13 0.37 -0.05 0.00 -2.00 0.00 0.00 41.25 39.70 1cej s ASN 46 CO 0.75 -0.27 0.59 -2.16 -2.94 0.00 0.00 177.10 173.07 1cej s PRO 47 N 1.34 4.34 0.00 3.55 0.05 -1.26 -5.08 135.00 137.93 1cej s PRO 47 Ca 0.17 0.69 0.00 0.00 0.05 0.00 0.00 61.00 61.91 1cej s PRO 47 Cb -0.17 -3.39 0.00 0.00 0.05 0.00 0.00 34.50 30.99 1cej s PRO 47 CO -0.02 0.25 0.00 -2.37 0.05 0.00 0.00 177.00 174.91 1cej n THR 48 N 3.19 0.00 0.00 1.26 5.66 -1.26 -5.04 114.28 118.09 1cej n THR 48 Ca -0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1cej n THR 48 Cb 0.51 -0.39 0.00 0.00 -1.55 0.00 0.00 70.33 68.90 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 -1.00 0.00 -2.84 0.00 5.15 -1.26 -2.89 115.26 112.41 1cej n ASN 50 Ca 0.00 -0.28 -0.37 0.00 -0.60 0.00 0.00 54.58 53.33 1cej n ASN 50 Cb 0.00 -0.07 0.02 0.00 -0.53 0.00 0.00 39.78 39.19 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 -1.07 2.76 -3.67 1.20 -0.58 -1.26 -4.87 120.64 113.14 1cej n GLU 51 Ca 0.09 -3.27 -0.27 0.00 -0.42 0.00 0.00 57.16 53.29 1cej n GLU 51 Cb 0.06 -2.25 0.01 0.00 -0.57 0.00 0.00 31.44 28.69 1cej n GLU 51 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1cej n ASN 52 N -0.16 -5.20 -2.12 1.62 0.23 -1.14 -4.00 115.26 104.49 1cej n ASN 52 Ca 0.53 -0.69 -0.03 0.00 -0.53 0.00 0.00 54.58 53.85 1cej n ASN 52 Cb 0.31 -1.89 0.00 0.00 -2.08 0.00 0.00 39.78 36.12 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 -1.91 -4.80 0.34 0.53 2.85 -1.18 -4.95 115.26 106.14 1cej n ASN 53 Ca -0.24 0.32 -0.18 0.00 -0.11 0.00 0.00 54.58 54.37 1cej n ASN 53 Cb 0.68 -3.06 -0.09 0.00 1.24 0.00 0.00 39.78 38.55 1cej n ASN 53 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 1cej h GLY 54 N 1.01 -1.08 -0.27 8.20 0.00 -1.69 -3.38 103.07 105.87 1cej h GLY 54 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1cej h GLY 54 CO 0.09 -0.37 -0.13 0.61 0.00 0.00 0.00 176.54 176.74 1cej n GLY 55 N -1.54 -1.84 0.00 4.60 0.00 -1.26 -4.87 105.19 100.28 1cej n GLY 55 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.39 0.00 0.00 0.00 2.03 -0.49 -4.89 116.55 111.81 1cej n ASP 57 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1cej n ASP 57 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1cej n ASP 57 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cej n ALA 58 N -3.00 0.00 0.97 -1.67 0.00 -1.26 -4.89 120.51 110.65 1cej n ALA 58 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1cej n ALA 58 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1cej n ALA 58 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1cej n ASP 59 N -2.15 1.00 -4.68 0.00 8.00 -1.26 -4.81 116.55 112.66 1cej n ASP 59 Ca 0.00 -1.00 -0.29 0.00 0.71 0.00 0.00 54.79 54.21 1cej n ASP 59 Cb 0.00 0.98 0.17 0.00 -0.02 0.00 0.00 41.12 42.25 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 -2.92 1.06 -0.29 2.24 0.00 -1.26 -4.84 121.76 115.76 1cej s ALA 60 Ca 0.08 -0.26 -0.11 0.00 0.00 0.00 0.00 51.96 51.67 1cej s ALA 60 Cb 0.16 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 20.08 1cej s ALA 60 CO 0.83 -2.75 0.20 0.15 0.00 0.00 0.00 175.76 174.19 1cej s LYS 61 N -4.93 3.91 0.25 0.00 1.02 -0.46 -4.74 119.74 114.78 1cej s LYS 61 Ca 0.65 -0.35 -0.30 0.00 0.02 0.00 0.00 55.97 55.99 1cej s LYS 61 Cb -0.19 -3.67 -0.09 0.00 -0.52 0.00 0.00 37.83 33.36 1cej s LYS 61 CO 0.58 -0.21 0.95 0.00 -0.92 0.00 0.00 175.35 175.75 1cej s THR 63 N -1.23 1.08 0.00 0.00 -4.23 -0.54 -4.75 115.64 105.97 1cej s THR 63 Ca 0.42 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1cej s THR 63 Cb -0.26 -1.02 0.00 0.00 1.34 0.00 0.00 72.50 72.57 1cej s THR 63 CO 0.32 -0.14 0.00 -1.84 -0.54 0.00 0.00 174.62 172.42 1cej n GLU 64 N 1.54 0.00 -1.57 3.99 0.28 -1.26 -1.51 120.64 122.12 1cej n GLU 64 Ca -0.20 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.39 1cej n GLU 64 Cb 0.54 -0.44 -0.03 0.00 1.43 0.00 0.00 31.44 32.94 1cej n GLU 64 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1cej n GLU 65 N 0.00 2.13 -2.10 3.44 1.02 -1.26 -4.62 120.64 119.25 1cej n GLU 65 Ca 0.00 -2.30 -0.03 0.00 -0.02 0.00 0.00 57.16 54.82 1cej n GLU 65 Cb 0.24 -3.18 0.01 0.00 -0.02 0.00 0.00 31.44 28.50 1cej n GLU 65 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1cej n ASP 66 N 7.76 -0.81 0.00 1.62 2.03 -1.26 -5.11 116.55 120.78 1cej n ASP 66 Ca 0.50 -1.53 0.00 0.00 0.52 0.00 0.00 54.79 54.28 1cej n ASP 66 Cb 0.41 1.34 0.00 0.00 -0.72 0.00 0.00 41.12 42.15 1cej n ASP 66 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1cej n SER 67 N -1.12 0.00 0.00 1.67 2.88 -1.26 -4.15 113.62 111.64 1cej n SER 67 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1cej n SER 67 Cb 0.22 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 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 -0.19 1.64 0.00 0.46 0.00 -1.26 -4.98 105.19 100.85 1cej n GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cej n GLY 68 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1cej n SER 69 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.12 113.62 111.73 1cej n SER 69 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1cej n SER 69 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1cej n SER 69 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1cej n ASN 70 N 0.00 0.00 0.00 -3.46 5.15 -1.26 -5.04 115.26 110.65 1cej n ASN 70 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1cej n ASN 70 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 2.64 1.00 3.91 8.20 0.00 -1.26 -5.03 105.19 114.65 1cej n GLY 71 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 1.04 3.46 0.30 1.61 1.02 -1.26 -4.84 119.74 121.07 1cej s LYS 72 Ca 0.00 -0.31 -0.27 0.00 0.02 0.00 0.00 55.97 55.41 1cej s LYS 72 Cb 0.00 -3.07 -0.10 0.00 -0.52 0.00 0.00 37.83 34.14 1cej s LYS 72 CO 0.00 0.65 0.93 0.21 -0.92 0.00 0.00 175.35 176.22 1cej s LYS 73 N -2.08 4.64 -0.09 1.68 2.36 -1.26 -5.02 119.74 119.97 1cej s LYS 73 Ca 0.30 1.35 -0.03 0.00 -2.55 0.00 0.00 55.97 55.04 1cej s LYS 73 Cb -0.13 -2.92 0.04 0.00 -1.05 0.00 0.00 37.83 33.77 1cej s LYS 73 CO 0.21 0.35 0.07 0.42 1.55 0.00 0.00 175.35 177.94 1cej s ILE 74 N -1.50 -0.10 0.25 5.43 -1.09 -1.26 -4.47 121.20 118.46 1cej s ILE 74 Ca 0.48 0.22 0.10 0.00 -2.23 0.00 0.00 60.65 59.21 1cej s ILE 74 Cb -0.20 -0.30 -0.04 0.00 -1.58 0.00 0.00 42.46 40.33 1cej s ILE 74 CO 0.26 0.02 -0.07 -0.89 -1.23 0.00 0.00 174.94 173.03 1cej s THR 75 N 2.16 3.19 -0.20 2.92 2.01 -0.57 -4.99 115.64 120.16 1cej s THR 75 Ca 0.04 -1.94 -0.01 0.00 0.31 0.00 0.00 61.69 60.08 1cej s THR 75 Cb -0.13 -2.67 0.05 0.00 0.01 0.00 0.00 72.50 69.76 1cej s THR 75 CO -0.05 -0.31 -0.01 0.00 -0.69 0.00 0.00 174.62 173.56 1cej s GLU 77 N 1.67 3.51 -0.06 0.00 8.01 -0.68 -4.83 118.70 126.31 1cej s GLU 77 Ca -0.02 -2.14 -0.13 0.00 0.01 0.00 0.00 54.97 52.68 1cej s GLU 77 Cb -0.17 -4.51 -0.05 0.00 -4.31 0.00 0.00 34.13 25.09 1cej s GLU 77 CO -0.07 -1.42 0.34 0.00 0.01 0.00 0.00 175.26 174.11 1cej s THR 79 N -0.63 2.10 0.24 0.00 2.01 -1.23 -1.49 115.64 116.64 1cej s THR 79 Ca 0.21 -3.64 0.01 0.00 0.31 0.00 0.00 61.69 58.58 1cej s THR 79 Cb -0.15 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 1cej s THR 79 CO 0.09 -1.03 0.12 -0.54 -0.69 0.00 0.00 174.62 172.57 1cej s LYS 80 N -0.82 1.35 0.00 4.92 -0.14 0.30 -4.94 119.74 120.42 1cej s LYS 80 Ca 0.25 -1.73 -0.15 0.00 -1.36 0.00 0.00 55.97 52.98 1cej s LYS 80 Cb -0.06 -0.04 -0.06 0.00 -1.68 0.00 0.00 37.83 35.99 1cej s LYS 80 CO -0.14 -0.35 0.43 -1.25 -0.76 0.00 0.00 175.35 173.28 1cej s PRO 81 N -4.06 3.97 0.00 -1.68 0.04 -1.26 -3.97 135.00 128.04 1cej s PRO 81 Ca 0.38 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1cej s PRO 81 Cb 0.07 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1cej s PRO 81 CO 0.13 0.66 0.00 -3.47 0.04 0.00 0.00 177.00 174.36 1cej n ASP 82 N 1.91 -1.99 -4.80 6.66 2.03 -1.26 -4.90 116.55 114.21 1cej n ASP 82 Ca -0.13 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.81 1cej n ASP 82 Cb 0.52 -2.11 -0.06 0.00 -0.72 0.00 0.00 41.12 38.75 1cej n ASP 82 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1cej s SER 83 N -2.18 6.55 -0.07 1.67 0.01 -1.25 -2.95 113.70 115.49 1cej s SER 83 Ca 0.00 0.65 -0.14 0.00 1.31 0.00 0.00 55.95 57.77 1cej s SER 83 Cb 0.00 -2.18 0.03 0.00 0.21 0.00 0.00 66.02 64.08 1cej s SER 83 CO 0.00 0.24 0.34 -0.31 0.41 0.00 0.00 173.24 173.92 1cej s TYR 84 N -0.35 -0.29 -0.74 2.43 1.51 -1.22 -2.49 117.35 116.21 1cej s TYR 84 Ca 0.19 0.59 -0.25 0.00 -1.01 0.00 0.00 57.07 56.59 1cej s TYR 84 Cb -0.14 0.12 -0.17 0.00 -0.11 0.00 0.00 41.96 41.67 1cej s TYR 84 CO 0.07 -0.32 2.04 -2.30 -1.11 0.00 0.00 175.55 173.94 1cej n PRO 85 N 1.93 0.00 0.12 -1.71 -0.01 0.93 -4.44 135.00 131.82 1cej n PRO 85 Ca -0.18 0.00 0.11 0.00 -0.01 0.00 0.00 63.50 63.42 1cej n PRO 85 Cb 0.57 -1.15 0.02 0.00 -0.01 0.00 0.00 33.50 32.93 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 9.04 0.00 0.00 2.45 3.38 -1.82 -3.44 115.31 124.92 1cej h LEU 86 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1cej h LEU 86 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1cej h LEU 86 CO 1.05 0.03 0.00 0.49 0.09 0.00 0.00 178.44 180.10 1cej n PHE 87 N -2.75 -0.10 0.00 1.13 3.72 -1.26 -5.01 117.46 113.18 1cej n PHE 87 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1cej n PHE 87 Cb 0.56 0.11 0.00 0.00 -0.94 0.00 0.00 39.48 39.21 1cej n PHE 87 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1cej n ASP 88 N -1.72 0.00 0.00 4.37 8.00 -1.26 -4.98 116.55 120.96 1cej n ASP 88 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1cej n ASP 88 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1cej n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cej n GLY 89 N 0.00 1.13 0.00 0.44 0.00 -1.26 -4.79 105.19 100.70 1cej n GLY 89 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 1.34 -3.27 -0.61 -5.35 -1.26 -3.86 119.36 106.34 1cej n ILE 90 Ca 0.00 0.33 -0.07 0.00 -0.27 0.00 0.00 62.75 62.75 1cej n ILE 90 Cb 0.00 -1.25 -0.04 0.00 -1.74 0.00 0.00 39.64 36.61 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 -2.80 -1.13 0.37 4.28 0.08 -1.26 -1.39 117.98 116.13 1cej s PHE 91 Ca 0.03 0.00 0.04 0.00 0.12 0.00 0.00 56.93 57.13 1cej s PHE 91 Cb 0.03 -0.02 0.04 0.00 -0.57 0.00 0.00 43.02 42.50 1cej s PHE 91 CO 0.08 -1.06 0.31 0.00 -0.10 0.00 0.00 175.22 174.45 1cej n SER 93 N -1.98 1.54 -2.59 0.00 7.64 -1.04 -3.37 113.62 113.82 1cej n SER 93 Ca 0.00 0.25 -0.04 0.00 1.01 0.00 0.00 58.87 60.09 1cej n SER 93 Cb 0.42 -0.61 0.04 0.00 -1.01 0.00 0.00 64.21 63.05 1cej n SER 93 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1cej n SER 94 N -4.02 -1.32 -4.72 6.43 7.64 -0.55 0.11 113.62 117.18 1cej n SER 94 Ca -0.09 -1.90 -0.43 0.00 1.01 0.00 0.00 58.87 57.46 1cej n SER 94 Cb 0.34 0.91 -0.02 0.00 -1.01 0.00 0.00 64.21 64.43 1cej n SER 94 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1cej n SER 95 N -0.57 3.58 0.00 6.43 2.88 -1.21 -4.96 113.62 119.77 1cej n SER 95 Ca -0.17 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1cej n SER 95 Cb 0.72 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 1cej n SER 95 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61