#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 -9.35 0.00 2.41 2.08 -1.26 -5.00 119.36 108.24 1cej n ILE 2 Ca 0.00 0.64 0.00 0.00 0.56 0.00 0.00 62.75 63.95 1cej n ILE 2 Cb 0.00 -6.39 0.00 0.00 -0.75 0.00 0.00 39.64 32.50 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 -0.39 0.00 -0.48 4.38 7.64 -1.26 -4.99 113.62 118.53 1cej n SER 3 Ca 0.06 0.09 -0.02 0.00 1.01 0.00 0.00 58.87 60.01 1cej n SER 3 Cb 0.52 -0.23 -0.02 0.00 -1.01 0.00 0.00 64.21 63.47 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 -1.68 0.00 0.21 1.43 7.27 -1.25 -4.94 117.38 118.42 1cej n GLN 4 Ca 0.00 -0.23 0.15 0.00 0.07 0.00 0.00 57.00 56.99 1cej n GLN 4 Cb 0.00 0.21 0.75 0.00 2.41 0.00 0.00 30.24 33.61 1cej n GLN 4 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1cej h HIS 5 N 0.00 0.00 0.00 3.69 -0.00 -1.89 -0.89 115.15 116.06 1cej h HIS 5 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.24 1cej h HIS 5 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.14 1cej h HIS 5 CO -0.13 0.00 0.00 1.04 -0.00 0.00 0.00 177.93 178.84 1cej n GLN 6 N -2.51 0.11 -1.28 5.26 6.02 -1.26 -4.29 117.38 119.43 1cej n GLN 6 Ca -0.01 0.61 0.17 0.00 -0.01 0.00 0.00 57.00 57.75 1cej n GLN 6 Cb 0.08 -1.86 -0.05 0.00 1.02 0.00 0.00 30.24 29.44 1cej n GLN 6 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cej n VAL 8 N -3.82 0.11 0.22 0.00 0.31 -1.26 -4.91 118.33 108.98 1cej n VAL 8 Ca -0.00 0.04 0.03 0.00 -0.01 0.00 0.00 64.34 64.39 1cej n VAL 8 Cb 0.65 -0.96 0.01 0.00 -0.91 0.00 0.00 33.84 32.63 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 -2.60 1.27 -1.60 5.55 4.81 -1.26 -5.02 118.16 119.31 1cej n LYS 9 Ca 0.00 -0.60 -0.33 0.00 -0.87 0.00 0.00 58.31 56.52 1cej n LYS 9 Cb 0.00 -1.00 0.06 0.00 0.02 0.00 0.00 35.03 34.11 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 -0.71 2.60 0.00 1.64 2.20 -1.26 -4.92 119.74 119.28 1cej s LYS 10 Ca 0.05 1.36 0.00 0.00 -0.36 0.00 0.00 55.97 57.02 1cej s LYS 10 Cb 0.04 -1.93 0.00 0.00 -1.51 0.00 0.00 37.83 34.44 1cej s LYS 10 CO 0.10 -1.41 0.00 1.04 -0.36 0.00 0.00 175.35 174.72 1cej n GLN 11 N -2.73 0.97 -1.42 4.03 6.02 -1.26 -4.98 117.38 118.00 1cej n GLN 11 Ca 0.10 0.00 0.18 0.00 -0.01 0.00 0.00 57.00 57.28 1cej n GLN 11 Cb 0.52 -0.13 -0.07 0.00 1.02 0.00 0.00 30.24 31.59 1cej n GLN 11 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cej s PRO 13 N -3.25 2.26 0.98 0.00 0.05 -1.26 -4.98 135.00 128.79 1cej s PRO 13 Ca 0.00 -0.27 -0.13 0.00 0.05 0.00 0.00 61.00 60.65 1cej s PRO 13 Cb 0.00 -2.19 0.08 0.00 0.05 0.00 0.00 34.50 32.44 1cej s PRO 13 CO 0.00 -1.18 0.53 1.04 0.05 0.00 0.00 177.00 177.45 1cej n GLN 14 N -2.87 -0.60 -2.00 4.56 3.00 -1.26 -2.29 117.38 115.92 1cej n GLN 14 Ca 0.08 -0.13 -0.18 0.00 -0.01 0.00 0.00 57.00 56.75 1cej n GLN 14 Cb 0.60 -1.96 -0.04 0.00 0.00 0.00 0.00 30.24 28.85 1cej n GLN 14 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1cej n ASN 15 N -2.13 -5.27 -3.62 1.08 3.02 -1.26 -4.92 115.26 102.15 1cej n ASN 15 Ca 0.07 0.18 -0.13 0.00 -0.03 0.00 0.00 54.58 54.67 1cej n ASN 15 Cb 0.54 -4.35 -0.07 0.00 -0.61 0.00 0.00 39.78 35.29 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 -2.44 -0.64 0.41 6.41 0.15 -0.97 -0.38 113.70 116.24 1cej s SER 16 Ca 0.00 1.19 0.01 0.00 0.70 0.00 0.00 55.95 57.85 1cej s SER 16 Cb 0.00 1.18 0.01 0.00 -1.71 0.00 0.00 66.02 65.50 1cej s SER 16 CO 0.00 -0.26 0.09 0.61 1.20 0.00 0.00 173.24 174.89 1cej n GLY 17 N 2.33 3.43 3.95 9.45 0.00 -0.38 -4.52 105.19 119.45 1cej n GLY 17 Ca -0.14 -2.32 -0.22 0.00 0.00 0.00 0.00 46.02 43.34 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 -1.95 -1.51 -0.58 0.00 5.36 -0.77 -4.86 117.98 113.67 1cej s PHE 19 Ca 0.34 0.58 0.04 0.00 -0.96 0.00 0.00 56.93 56.93 1cej s PHE 19 Cb -0.09 0.14 0.15 0.00 -0.34 0.00 0.00 43.02 42.88 1cej s PHE 19 CO 0.28 -1.07 0.38 0.50 -1.46 0.00 0.00 175.22 173.85 1cej s ARG 20 N 2.45 1.95 0.00 10.12 3.52 -1.26 -2.38 118.95 133.35 1cej s ARG 20 Ca 0.12 -2.79 0.00 0.00 -0.13 0.00 0.00 55.73 52.92 1cej s ARG 20 Cb -0.10 -2.96 0.00 0.00 -1.56 0.00 0.00 34.95 30.33 1cej s ARG 20 CO -0.22 -1.24 0.00 -2.39 -0.81 0.00 0.00 175.30 170.65 1cej n HIS 21 N 2.61 0.00 1.12 5.12 1.44 -1.26 -2.69 115.22 121.56 1cej n HIS 21 Ca 0.16 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.98 1cej n HIS 21 Cb 0.36 0.00 0.59 0.00 0.12 0.00 0.00 29.99 31.05 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 -0.60 0.00 -0.05 2.39 4.77 -1.26 -3.13 117.00 119.12 1cej n LEU 22 Ca 0.00 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1cej n LEU 22 Cb 0.00 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1cej n LEU 22 CO 0.00 -0.06 0.22 -0.90 -1.33 0.00 0.00 177.39 175.31 1cej n ASP 23 N -1.26 0.00 -1.45 -1.43 5.68 -1.26 -4.97 116.55 111.86 1cej n ASP 23 Ca 0.11 -1.09 -0.16 0.00 -0.50 0.00 0.00 54.79 53.16 1cej n ASP 23 Cb 0.17 -0.02 -0.07 0.00 -1.14 0.00 0.00 41.12 40.07 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 -1.34 -4.01 0.11 1.02 -1.18 -4.91 120.64 110.32 1cej n GLU 24 Ca 0.00 0.92 -0.11 0.00 -0.02 0.00 0.00 57.16 57.95 1cej n GLU 24 Cb 0.52 -5.20 -0.11 0.00 -0.02 0.00 0.00 31.44 26.62 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 -3.32 0.38 -0.32 3.49 0.52 -1.26 -4.91 118.95 113.54 1cej s ARG 25 Ca 0.00 -0.62 -0.27 0.00 -0.52 0.00 0.00 55.73 54.31 1cej s ARG 25 Cb 0.00 -0.07 0.01 0.00 0.52 0.00 0.00 34.95 35.41 1cej s ARG 25 CO 0.00 -0.00 1.00 -1.21 0.02 0.00 0.00 175.30 175.10 1cej s GLU 26 N -1.39 4.04 0.23 3.54 2.02 -1.26 -4.12 118.70 121.76 1cej s GLU 26 Ca -0.12 0.94 0.08 0.00 0.02 0.00 0.00 54.97 55.89 1cej s GLU 26 Cb -0.09 -3.73 -0.05 0.00 0.10 0.00 0.00 34.13 30.35 1cej s GLU 26 CO -0.00 -0.84 -0.14 -1.21 0.02 0.00 0.00 175.26 173.09 1cej s GLU 27 N 3.46 1.43 -0.32 1.61 8.01 -1.00 -4.99 118.70 126.89 1cej s GLU 27 Ca 0.42 -1.66 -0.02 0.00 0.01 0.00 0.00 54.97 53.72 1cej s GLU 27 Cb -0.13 -1.24 0.06 0.00 -4.31 0.00 0.00 34.13 28.51 1cej s GLU 27 CO 0.14 0.19 0.04 0.00 0.01 0.00 0.00 175.26 175.64 1cej s LYS 29 N 1.25 2.33 0.12 0.00 2.20 -0.77 -4.91 119.74 119.95 1cej s LYS 29 Ca -0.03 -0.95 -0.02 0.00 -0.36 0.00 0.00 55.97 54.61 1cej s LYS 29 Cb -0.20 -2.48 -0.05 0.00 -1.51 0.00 0.00 37.83 33.59 1cej s LYS 29 CO -0.01 -0.88 0.31 0.00 -0.36 0.00 0.00 175.35 174.41 1cej n LEU 31 N 0.05 0.00 -4.82 0.00 4.77 0.49 -4.65 117.00 112.83 1cej n LEU 31 Ca -0.04 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.65 1cej n LEU 31 Cb 0.52 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.71 1cej n LEU 31 CO 0.50 -0.94 0.73 -0.76 -1.33 0.00 0.00 177.39 175.59 1cej s LEU 32 N 0.00 2.41 -1.71 2.23 1.43 -1.26 -3.29 118.68 118.49 1cej s LEU 32 Ca 0.00 1.10 0.00 0.00 -1.03 0.00 0.00 54.13 54.20 1cej s LEU 32 Cb 0.00 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1cej s LEU 32 CO 0.00 -2.10 0.00 0.59 0.23 0.00 0.00 176.35 175.07 1cej n ASN 33 N -3.49 -4.66 -4.29 2.29 3.02 -1.26 -4.92 115.26 101.95 1cej n ASN 33 Ca 0.07 0.40 -0.25 0.00 -0.03 0.00 0.00 54.58 54.77 1cej n ASN 33 Cb 0.58 -4.07 -0.09 0.00 -0.61 0.00 0.00 39.78 35.59 1cej n ASN 33 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1cej s TYR 34 N -2.35 1.85 0.11 3.10 2.02 -1.21 -1.04 117.35 119.83 1cej s TYR 34 Ca 0.00 -1.14 -0.04 0.00 -0.37 0.00 0.00 57.07 55.52 1cej s TYR 34 Cb 0.00 -1.25 0.02 0.00 -0.40 0.00 0.00 41.96 40.33 1cej s TYR 34 CO 0.00 -0.14 0.21 0.36 -1.57 0.00 0.00 175.55 174.41 1cej n LYS 35 N -0.88 0.31 -4.94 -0.62 2.85 -0.36 -4.56 118.16 109.95 1cej n LYS 35 Ca -0.06 -0.62 -0.32 0.00 -1.05 0.00 0.00 58.31 56.26 1cej n LYS 35 Cb 0.66 0.76 -0.14 0.00 -0.65 0.00 0.00 35.03 35.66 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 -2.03 2.37 -0.41 -1.58 0.74 -1.26 -2.03 119.66 115.46 1cej s GLN 36 Ca 0.04 -0.78 0.04 0.00 0.05 0.00 0.00 55.36 54.72 1cej s GLN 36 Cb -0.01 -2.29 0.19 0.00 1.10 0.00 0.00 33.01 31.99 1cej s GLN 36 CO 0.03 0.60 0.76 -2.00 -0.55 0.00 0.00 175.29 174.13 1cej s GLU 37 N -0.81 0.72 0.93 1.67 2.12 -1.21 -4.86 118.70 117.26 1cej s GLU 37 Ca 0.12 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.06 1cej s GLU 37 Cb -0.10 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.33 1cej s GLU 37 CO 0.01 -0.99 0.00 0.41 -0.54 0.00 0.00 175.26 174.15 1cej n GLY 38 N 3.86 1.06 0.02 -1.50 0.00 -1.26 -4.02 105.19 103.36 1cej n GLY 38 Ca 0.11 -1.02 0.03 0.00 0.00 0.00 0.00 46.02 45.14 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 1.13 2.04 -3.79 1.61 8.00 -1.26 -5.01 116.55 119.27 1cej n ASP 39 Ca 0.00 -2.27 -0.13 0.00 0.71 0.00 0.00 54.79 53.10 1cej n ASP 39 Cb 0.00 -0.12 -0.12 0.00 -0.02 0.00 0.00 41.12 40.87 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 -1.48 0.28 0.55 -1.24 1.02 -1.26 -5.15 119.74 112.47 1cej s LYS 40 Ca 0.09 0.34 -0.19 0.00 0.02 0.00 0.00 55.97 56.23 1cej s LYS 40 Cb 0.07 0.13 -0.05 0.00 -0.52 0.00 0.00 37.83 37.46 1cej s LYS 40 CO 0.01 -0.04 1.12 0.00 -0.92 0.00 0.00 175.35 175.51 1cej s VAL 42 N -1.89 1.08 0.57 0.00 -7.23 -0.86 -4.88 120.40 107.20 1cej s VAL 42 Ca 0.71 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.69 1cej s VAL 42 Cb -0.22 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 1cej s VAL 42 CO 0.28 0.00 1.21 -1.61 -0.31 0.00 0.00 175.10 174.67 1cej s GLU 43 N -3.81 3.09 -0.57 4.82 2.02 -1.26 -1.23 118.70 121.76 1cej s GLU 43 Ca 0.26 1.83 0.07 0.00 0.02 0.00 0.00 54.97 57.15 1cej s GLU 43 Cb 0.06 -2.00 0.27 0.00 0.10 0.00 0.00 34.13 32.55 1cej s GLU 43 CO 0.13 -1.11 0.74 -1.71 0.02 0.00 0.00 175.26 173.33 1cej n ASN 44 N -1.42 3.09 -0.24 -0.19 4.05 -0.21 -4.65 115.26 115.69 1cej n ASN 44 Ca 0.13 -3.33 0.16 0.00 0.45 0.00 0.00 54.58 51.99 1cej n ASN 44 Cb 0.49 -0.64 0.31 0.00 1.23 0.00 0.00 39.78 41.17 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 0.72 -0.05 -3.72 1.20 -0.01 -1.26 -2.51 135.00 129.36 1cej n PRO 45 Ca 0.28 1.05 -0.29 0.00 -0.01 0.00 0.00 63.50 64.53 1cej n PRO 45 Cb 0.44 -1.76 -0.13 0.00 -0.01 0.00 0.00 33.50 32.04 1cej n PRO 45 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 175.50 176.03 1cej s ASN 46 N -4.85 3.66 0.14 2.55 4.22 -1.26 -4.98 114.94 114.41 1cej s ASN 46 Ca -0.08 -2.73 -0.17 0.00 -2.14 0.00 0.00 52.86 47.74 1cej s ASN 46 Cb 0.23 -1.07 -0.07 0.00 1.28 0.00 0.00 41.25 41.61 1cej s ASN 46 CO 0.57 -0.25 0.59 -2.16 -2.04 0.00 0.00 177.10 173.81 1cej s PRO 47 N 0.21 4.10 0.00 3.55 0.05 -1.05 -5.10 135.00 136.78 1cej s PRO 47 Ca 0.19 0.64 0.00 0.00 0.05 0.00 0.00 61.00 61.88 1cej s PRO 47 Cb -0.22 -3.01 0.00 0.00 0.05 0.00 0.00 34.50 31.32 1cej s PRO 47 CO -0.01 0.51 0.00 -2.37 0.05 0.00 0.00 177.00 175.17 1cej n THR 48 N 1.04 0.00 -0.03 1.26 5.66 -1.26 -4.91 114.28 116.04 1cej n THR 48 Ca -0.06 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.93 1cej n THR 48 Cb 0.51 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.23 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 -2.13 0.00 -2.98 0.00 4.05 -1.26 -3.06 115.26 109.88 1cej n ASN 50 Ca -0.09 -0.57 -0.40 0.00 0.45 0.00 0.00 54.58 53.97 1cej n ASN 50 Cb 0.59 0.00 0.04 0.00 1.23 0.00 0.00 39.78 41.64 1cej n ASN 50 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 1cej n GLU 51 N -0.91 3.04 -3.69 1.20 0.28 -1.26 -4.88 120.64 114.42 1cej n GLU 51 Ca 0.09 -3.68 -0.26 0.00 -0.16 0.00 0.00 57.16 53.16 1cej n GLU 51 Cb 0.04 -2.29 0.01 0.00 1.43 0.00 0.00 31.44 30.63 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 -0.49 -5.15 -2.62 -1.84 0.23 -1.17 -3.80 115.26 100.41 1cej n ASN 52 Ca 0.53 -0.75 -0.00 0.00 -0.53 0.00 0.00 54.58 53.83 1cej n ASN 52 Cb 0.25 -1.88 0.00 0.00 -2.08 0.00 0.00 39.78 36.07 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 -2.07 -7.55 -2.12 0.53 2.85 -1.21 -4.85 115.26 100.84 1cej n ASN 53 Ca -0.26 1.28 -0.25 0.00 -0.11 0.00 0.00 54.58 55.25 1cej n ASN 53 Cb 0.68 -5.00 0.11 0.00 1.24 0.00 0.00 39.78 36.81 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 0.60 4.74 0.00 8.20 0.00 -0.96 -4.55 105.19 113.21 1cej n GLY 54 Ca 0.01 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.71 1.27 3.43 -0.02 0.00 -1.26 -4.43 105.19 103.47 1cej n GLY 55 Ca 0.52 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.20 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 3.68 0.04 0.16 0.00 9.92 -0.62 -4.37 116.55 125.36 1cej n ASP 57 Ca -0.18 1.08 0.19 0.00 -0.53 0.00 0.00 54.79 55.35 1cej n ASP 57 Cb 0.52 -0.85 0.75 0.00 -0.64 0.00 0.00 41.12 40.90 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 2.86 1.91 0.00 2.24 0.00 -1.93 0.72 119.26 125.05 1cej h ALA 58 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1cej h ALA 58 Cb 1.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1cej h ALA 58 CO 0.62 -0.59 -1.50 -0.25 0.00 0.00 0.00 179.25 177.53 1cej n ASP 59 N -3.45 0.41 -4.81 0.00 9.92 -1.26 -4.95 116.55 112.41 1cej n ASP 59 Ca 0.05 -0.20 -0.30 0.00 -0.53 0.00 0.00 54.79 53.81 1cej n ASP 59 Cb 0.57 1.39 0.10 0.00 -0.64 0.00 0.00 41.12 42.54 1cej n ASP 59 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cej s ALA 60 N -3.34 2.21 -0.49 2.24 0.00 0.25 -4.68 121.76 117.96 1cej s ALA 60 Ca -0.02 -0.32 -0.18 0.00 0.00 0.00 0.00 51.96 51.44 1cej s ALA 60 Cb 0.14 -3.07 0.06 0.00 0.00 0.00 0.00 23.12 20.24 1cej s ALA 60 CO 0.87 -1.81 0.56 0.15 0.00 0.00 0.00 175.76 175.52 1cej s LYS 61 N -5.23 3.09 0.43 0.00 1.02 -0.33 -4.77 119.74 113.94 1cej s LYS 61 Ca 0.61 -0.96 -0.21 0.00 0.02 0.00 0.00 55.97 55.43 1cej s LYS 61 Cb -0.14 -4.09 -0.11 0.00 -0.52 0.00 0.00 37.83 32.98 1cej s LYS 61 CO 0.53 -1.13 0.96 0.00 -0.92 0.00 0.00 175.35 174.79 1cej s THR 63 N -2.13 0.40 0.00 0.00 -4.23 -0.50 -4.99 115.64 104.18 1cej s THR 63 Ca 0.61 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 1cej s THR 63 Cb -0.10 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.38 1cej s THR 63 CO 0.14 0.03 0.03 -1.84 -0.54 0.00 0.00 174.62 172.44 1cej n GLU 64 N 2.73 0.00 -2.65 3.99 0.28 -1.26 -2.02 120.64 121.71 1cej n GLU 64 Ca -0.14 -0.03 -0.43 0.00 -0.16 0.00 0.00 57.16 56.40 1cej n GLU 64 Cb 0.58 -0.37 0.00 0.00 1.43 0.00 0.00 31.44 33.08 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 3.71 0.01 3.44 1.02 -1.26 -4.53 120.64 123.02 1cej n GLU 65 Ca 0.00 -3.83 0.00 0.00 -0.02 0.00 0.00 57.16 53.31 1cej n GLU 65 Cb 0.27 -2.86 0.00 0.00 -0.02 0.00 0.00 31.44 28.83 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 3.75 0.04 -2.87 1.62 2.03 -1.26 -5.13 116.55 114.72 1cej n ASP 66 Ca 0.36 0.04 -0.07 0.00 0.52 0.00 0.00 54.79 55.63 1cej n ASP 66 Cb 0.37 0.01 0.01 0.00 -0.72 0.00 0.00 41.12 40.79 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 -2.60 1.26 0.00 1.67 7.64 -1.26 -5.09 113.62 115.24 1cej n SER 67 Ca 0.00 -1.54 0.00 0.00 1.01 0.00 0.00 58.87 58.34 1cej n SER 67 Cb 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 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 2.95 -2.10 0.00 0.23 0.00 -1.26 -4.75 105.19 100.26 1cej n GLY 68 Ca 0.01 1.04 0.00 0.00 0.00 0.00 0.00 46.02 47.07 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 0.00 -1.74 1.61 7.64 -1.26 -4.97 113.62 114.90 1cej n SER 69 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1cej n SER 69 Cb 0.00 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.45 1cej n SER 69 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1cej n ASN 70 N 0.00 4.27 -3.15 6.43 6.94 -1.26 -4.73 115.26 123.76 1cej n ASN 70 Ca 0.00 -2.94 0.05 0.00 -0.02 0.00 0.00 54.58 51.68 1cej n ASN 70 Cb 0.00 -0.69 -0.01 0.00 -2.36 0.00 0.00 39.78 36.72 1cej n ASN 70 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1cej s GLY 71 N -0.68 -0.71 0.58 4.83 0.00 -1.26 -5.16 107.32 104.93 1cej s GLY 71 Ca 0.43 2.37 -0.17 0.00 0.00 0.00 0.00 44.72 47.35 1cej s GLY 71 CO 0.11 4.02 1.10 0.54 0.00 0.00 0.00 173.10 178.87 1cej s LYS 72 N 2.96 3.23 -0.08 2.90 -0.14 -1.26 -4.61 119.74 122.74 1cej s LYS 72 Ca 0.17 1.43 0.03 0.00 -1.36 0.00 0.00 55.97 56.24 1cej s LYS 72 Cb -0.05 -2.01 -0.02 0.00 -1.68 0.00 0.00 37.83 34.08 1cej s LYS 72 CO -0.19 -0.91 -0.16 0.21 -0.76 0.00 0.00 175.35 173.54 1cej s LYS 73 N -3.69 2.81 -0.06 1.68 2.20 -1.26 -5.06 119.74 116.36 1cej s LYS 73 Ca 0.68 -0.74 0.02 0.00 -0.36 0.00 0.00 55.97 55.57 1cej s LYS 73 Cb -0.20 -2.42 0.01 0.00 -1.51 0.00 0.00 37.83 33.72 1cej s LYS 73 CO 0.33 0.43 -0.11 0.42 -0.36 0.00 0.00 175.35 176.06 1cej s ILE 74 N -0.24 1.00 0.01 5.43 -1.09 -1.26 -4.47 121.20 120.59 1cej s ILE 74 Ca 0.01 -0.40 0.05 0.00 -2.23 0.00 0.00 60.65 58.07 1cej s ILE 74 Cb -0.13 -0.93 -0.02 0.00 -1.58 0.00 0.00 42.46 39.80 1cej s ILE 74 CO 0.03 0.33 -0.14 -0.89 -1.23 0.00 0.00 174.94 173.04 1cej s THR 75 N 0.71 1.10 -0.24 2.92 2.01 -0.86 -5.00 115.64 116.27 1cej s THR 75 Ca -0.14 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.09 1cej s THR 75 Cb -0.15 -0.95 0.04 0.00 0.01 0.00 0.00 72.50 71.44 1cej s THR 75 CO 0.03 0.17 -0.10 0.00 -0.69 0.00 0.00 174.62 174.04 1cej s GLU 77 N 1.24 3.16 0.54 0.00 2.12 -1.07 -4.79 118.70 119.90 1cej s GLU 77 Ca -0.02 -0.74 -0.19 0.00 0.36 0.00 0.00 54.97 54.38 1cej s GLU 77 Cb -0.17 -2.75 -0.06 0.00 0.26 0.00 0.00 34.13 31.41 1cej s GLU 77 CO -0.06 -0.19 1.07 0.00 -0.54 0.00 0.00 175.26 175.54 1cej n THR 79 N -1.39 0.00 -1.94 0.00 5.66 -1.26 -4.85 114.28 110.50 1cej n THR 79 Ca 0.10 -0.37 -0.29 0.00 -3.05 0.00 0.00 64.05 60.44 1cej n THR 79 Cb 0.52 1.17 0.09 0.00 -1.55 0.00 0.00 70.33 70.56 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 -1.64 1.97 -0.18 1.09 1.02 -1.26 -5.02 119.74 115.71 1cej s LYS 80 Ca 0.12 0.06 -0.23 0.00 0.02 0.00 0.00 55.97 55.93 1cej s LYS 80 Cb 0.11 -1.98 -0.21 0.00 -0.52 0.00 0.00 37.83 35.23 1cej s LYS 80 CO 0.33 -1.57 0.38 -1.00 -0.92 0.00 0.00 175.35 172.57 1cej h PRO 81 N -1.01 0.02 -0.96 -1.68 0.14 -2.00 -3.32 132.00 123.19 1cej h PRO 81 Ca -0.46 -0.03 -0.01 0.00 0.14 0.00 0.00 66.00 65.64 1cej h PRO 81 Cb 1.33 0.01 -0.01 0.00 0.14 0.00 0.00 31.00 32.47 1cej h PRO 81 CO 0.65 1.01 0.02 -0.25 0.14 0.00 0.00 178.00 179.57 1cej n ASP 82 N -4.44 1.90 -4.67 1.44 8.00 -1.26 -4.85 116.55 112.68 1cej n ASP 82 Ca -0.26 -2.14 -0.42 0.00 0.71 0.00 0.00 54.79 52.68 1cej n ASP 82 Cb 0.64 -0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 1cej n ASP 82 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1cej s SER 83 N 0.05 6.78 -0.36 -2.24 0.01 -1.25 -4.24 113.70 112.44 1cej s SER 83 Ca 0.07 2.06 0.01 0.00 1.31 0.00 0.00 55.95 59.40 1cej s SER 83 Cb 0.06 -2.54 0.15 0.00 0.21 0.00 0.00 66.02 63.89 1cej s SER 83 CO 0.02 -0.83 0.24 -0.31 0.41 0.00 0.00 173.24 172.77 1cej s TYR 84 N 3.52 0.79 -0.27 2.43 1.51 -1.17 -4.82 117.35 119.34 1cej s TYR 84 Ca 0.66 -1.78 -0.23 0.00 -1.01 0.00 0.00 57.07 54.70 1cej s TYR 84 Cb -0.30 -0.90 -0.10 0.00 -0.11 0.00 0.00 41.96 40.55 1cej s TYR 84 CO 0.25 -0.83 1.14 -2.30 -1.11 0.00 0.00 175.55 172.69 1cej n PRO 85 N 3.76 0.00 0.29 -1.71 -0.01 -1.26 -3.84 135.00 132.22 1cej n PRO 85 Ca 0.16 0.00 0.18 0.00 -0.01 0.00 0.00 63.50 63.83 1cej n PRO 85 Cb 0.40 -0.80 0.79 0.00 -0.01 0.00 0.00 33.50 33.87 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 4.77 0.00 0.00 2.45 -0.00 -1.22 -3.44 115.31 117.87 1cej h LEU 86 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1cej h LEU 86 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.42 1cej h LEU 86 CO 0.58 0.03 0.00 0.49 -0.00 0.00 0.00 178.44 179.54 1cej n PHE 87 N -3.16 0.00 -1.16 1.13 3.01 -1.26 -4.99 117.46 111.03 1cej n PHE 87 Ca -0.00 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.49 1cej n PHE 87 Cb 0.26 0.00 0.23 0.00 -0.01 0.00 0.00 39.48 39.96 1cej n PHE 87 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1cej n ASP 88 N 0.00 3.37 0.00 4.37 9.92 -1.26 -4.88 116.55 128.07 1cej n ASP 88 Ca 0.00 -3.29 0.00 0.00 -0.53 0.00 0.00 54.79 50.97 1cej n ASP 88 Cb 0.00 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 39.90 1cej n ASP 88 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cej n GLY 89 N -0.76 1.77 0.09 0.44 0.00 -1.26 -4.74 105.19 100.72 1cej n GLY 89 Ca 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.82 1.37 -3.65 -0.61 -5.35 -1.22 -1.59 119.36 107.48 1cej n ILE 90 Ca 0.00 -0.82 -0.28 0.00 -0.27 0.00 0.00 62.75 61.39 1cej n ILE 90 Cb 0.00 -0.61 -0.16 0.00 -1.74 0.00 0.00 39.64 37.13 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 -2.60 0.66 -0.50 4.28 0.08 -1.26 -2.82 117.98 115.82 1cej s PHE 91 Ca -0.08 -0.75 -0.16 0.00 0.12 0.00 0.00 56.93 56.06 1cej s PHE 91 Cb 0.07 -0.95 0.10 0.00 -0.57 0.00 0.00 43.02 41.67 1cej s PHE 91 CO 0.83 -0.64 0.45 0.00 -0.10 0.00 0.00 175.22 175.76 1cej n SER 93 N 5.26 2.40 0.00 0.00 2.88 -1.25 -4.53 113.62 118.38 1cej n SER 93 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 1cej n SER 93 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 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 0.00 -1.57 0.00 -3.46 2.88 -1.26 -3.03 113.62 107.17 1cej n SER 94 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1cej n SER 94 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -1.98 0.00 0.00 -3.46 2.88 -1.26 -4.87 113.62 104.92 1cej n SER 95 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 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