#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ce6 s GLN 2 N 0.00 0.27 -0.08 9.51 -0.21 -1.26 -4.34 119.66 123.55 1ce6 s GLN 2 Ca 0.00 0.60 0.00 0.00 0.02 0.00 0.00 55.36 55.98 1ce6 s GLN 2 Cb 0.00 -0.07 0.02 0.00 1.00 0.00 0.00 33.01 33.96 1ce6 s GLN 2 CO 0.00 -0.15 -0.07 1.03 -2.12 0.00 0.00 175.29 173.98 1ce6 s ARG 3 N 1.22 1.31 0.27 2.91 0.52 0.45 -4.92 118.95 120.69 1ce6 s ARG 3 Ca -0.09 -0.21 -0.29 0.00 -0.52 0.00 0.00 55.73 54.61 1ce6 s ARG 3 Cb -0.09 -1.31 -0.10 0.00 0.52 0.00 0.00 34.95 33.98 1ce6 s ARG 3 CO -0.09 -0.16 1.30 0.99 0.02 0.00 0.00 175.30 177.36 1ce6 s THR 4 N 1.32 2.96 0.45 0.02 2.01 -1.26 -2.15 115.64 118.99 1ce6 s THR 4 Ca -0.03 0.88 -0.24 0.00 0.31 0.00 0.00 61.69 62.60 1ce6 s THR 4 Cb -0.14 -3.56 -0.08 0.00 0.01 0.00 0.00 72.50 68.74 1ce6 s THR 4 CO -0.03 0.17 1.27 -2.16 -0.69 0.00 0.00 174.62 173.18 1ce6 s PRO 5 N -0.95 3.74 -0.15 4.92 0.04 -1.26 -4.46 135.00 136.88 1ce6 s PRO 5 Ca 0.53 2.06 -0.10 0.00 0.04 0.00 0.00 61.00 63.52 1ce6 s PRO 5 Cb -0.38 -2.55 -0.05 0.00 0.04 0.00 0.00 34.50 31.56 1ce6 s PRO 5 CO 0.45 -0.65 0.18 0.15 0.04 0.00 0.00 177.00 177.17 1ce6 s LYS 6 N -2.51 3.92 -0.06 4.56 1.02 0.28 -4.92 119.74 122.03 1ce6 s LYS 6 Ca 0.62 -0.09 0.04 0.00 0.02 0.00 0.00 55.97 56.56 1ce6 s LYS 6 Cb -0.36 -3.33 -0.00 0.00 -0.52 0.00 0.00 37.83 33.63 1ce6 s LYS 6 CO 0.44 0.49 -0.20 0.42 -0.92 0.00 0.00 175.35 175.58 1ce6 s ILE 7 N -0.22 1.67 -0.18 2.17 1.01 -1.26 -0.92 121.20 123.47 1ce6 s ILE 7 Ca 0.13 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 1ce6 s ILE 7 Cb -0.12 -1.44 0.05 0.00 0.01 0.00 0.00 42.46 40.96 1ce6 s ILE 7 CO 0.02 0.47 -0.03 -1.10 0.00 0.00 0.00 174.94 174.30 1ce6 s GLN 8 N 0.13 1.26 -0.16 2.79 -0.21 -1.05 -4.98 119.66 117.44 1ce6 s GLN 8 Ca -0.08 -0.55 -0.14 0.00 0.02 0.00 0.00 55.36 54.61 1ce6 s GLN 8 Cb -0.14 -2.08 -0.05 0.00 1.00 0.00 0.00 33.01 31.75 1ce6 s GLN 8 CO 0.04 -0.50 0.29 0.08 -2.12 0.00 0.00 175.29 173.09 1ce6 s VAL 9 N 1.66 5.30 0.14 1.09 1.01 -1.26 -1.30 120.40 127.04 1ce6 s VAL 9 Ca -0.01 0.55 -0.25 0.00 0.00 0.00 0.00 61.98 62.27 1ce6 s VAL 9 Cb -0.16 -3.63 0.07 0.00 0.00 0.00 0.00 36.38 32.65 1ce6 s VAL 9 CO -0.07 0.39 0.91 -0.72 0.00 0.00 0.00 175.10 175.61 1ce6 s TYR 10 N 0.44 -0.19 0.02 5.22 1.13 -0.24 -4.63 117.35 119.09 1ce6 s TYR 10 Ca 0.17 -0.10 0.00 0.00 -1.41 0.00 0.00 57.07 55.73 1ce6 s TYR 10 Cb -0.13 0.63 -0.04 0.00 -1.10 0.00 0.00 41.96 41.32 1ce6 s TYR 10 CO 0.04 -0.82 0.09 -1.54 -2.51 0.00 0.00 175.55 170.81 1ce6 s SER 11 N -2.85 5.69 0.20 -0.18 1.04 -1.26 0.80 113.70 117.13 1ce6 s SER 11 Ca 0.10 0.12 -0.13 0.00 0.48 0.00 0.00 55.95 56.52 1ce6 s SER 11 Cb -0.02 -1.62 0.22 0.00 0.10 0.00 0.00 66.02 64.70 1ce6 s SER 11 CO 0.00 0.24 1.66 -0.09 0.98 0.00 0.00 173.24 176.04 1ce6 h ARG 12 N 3.87 0.07 -5.85 4.02 2.43 -0.02 -3.43 114.38 115.47 1ce6 h ARG 12 Ca -0.48 -0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.10 1ce6 h ARG 12 Cb 1.18 -0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.61 1ce6 h ARG 12 CO 0.64 0.05 -0.53 -1.01 -1.51 0.00 0.00 179.97 177.61 1ce6 s HIS 13 N -6.18 2.58 0.14 2.20 3.76 -1.26 -5.01 115.29 111.52 1ce6 s HIS 13 Ca -0.14 -0.60 -0.31 0.00 -0.15 0.00 0.00 55.06 53.86 1ce6 s HIS 13 Cb 0.17 -1.88 -0.09 0.00 1.11 0.00 0.00 32.58 31.89 1ce6 s HIS 13 CO 0.73 0.27 1.48 -1.25 -0.85 0.00 0.00 174.74 175.12 1ce6 s PRO 14 N -3.84 4.26 0.50 8.40 0.04 -1.26 -4.91 135.00 138.20 1ce6 s PRO 14 Ca 0.39 2.23 -0.21 0.00 0.04 0.00 0.00 61.00 63.45 1ce6 s PRO 14 Cb 0.05 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.30 1ce6 s PRO 14 CO 0.21 -0.53 0.78 0.00 0.04 0.00 0.00 177.00 177.51 1ce6 n ALA 15 N 3.94 -0.48 -3.19 8.56 0.00 -1.26 -5.01 120.51 123.07 1ce6 n ALA 15 Ca 0.13 0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.68 1ce6 n ALA 15 Cb 0.40 -1.96 -0.01 0.00 0.00 0.00 0.00 19.45 17.88 1ce6 n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ce6 s GLU 16 N -2.13 0.62 0.12 0.00 2.12 -1.26 -5.11 118.70 113.05 1ce6 s GLU 16 Ca 0.68 0.25 -0.32 0.00 0.36 0.00 0.00 54.97 55.94 1ce6 s GLU 16 Cb -0.50 0.13 -0.18 0.00 0.26 0.00 0.00 34.13 33.85 1ce6 s GLU 16 CO 0.54 -1.09 0.71 0.09 -0.54 0.00 0.00 175.26 174.97 1ce6 n ASN 17 N 5.11 -0.75 0.00 -1.70 3.02 -1.26 -0.22 115.26 119.47 1ce6 n ASN 17 Ca 0.06 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.72 1ce6 n ASN 17 Cb 0.54 -0.91 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1ce6 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ce6 n GLY 18 N 1.75 1.46 3.38 7.41 0.00 -0.64 -4.99 105.19 113.55 1ce6 n GLY 18 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1ce6 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ce6 s LYS 19 N -0.06 3.27 0.19 1.61 1.02 0.70 -5.01 119.74 121.46 1ce6 s LYS 19 Ca 0.00 -0.69 -0.32 0.00 0.02 0.00 0.00 55.97 54.98 1ce6 s LYS 19 Cb 0.00 -2.59 -0.12 0.00 -0.52 0.00 0.00 37.83 34.59 1ce6 s LYS 19 CO 0.00 0.27 1.70 0.45 -0.92 0.00 0.00 175.35 176.84 1ce6 n SER 20 N 3.37 3.77 -0.76 2.83 2.88 -1.26 -3.98 113.62 120.47 1ce6 n SER 20 Ca -0.18 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 1ce6 n SER 20 Cb 0.53 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 1ce6 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ce6 n ASN 21 N 3.98 0.00 -3.92 -3.46 2.85 0.22 -4.99 115.26 109.94 1ce6 n ASN 21 Ca 0.16 -0.76 -0.19 0.00 -0.11 0.00 0.00 54.58 53.69 1ce6 n ASN 21 Cb 0.33 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.20 1ce6 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1ce6 s PHE 22 N -2.03 0.70 -0.30 1.20 0.40 -1.26 -1.47 117.98 115.21 1ce6 s PHE 22 Ca 0.00 -0.17 -0.12 0.00 -0.60 0.00 0.00 56.93 56.04 1ce6 s PHE 22 Cb 0.00 -0.57 -0.04 0.00 0.51 0.00 0.00 43.02 42.92 1ce6 s PHE 22 CO 0.00 -0.13 0.21 -1.17 0.70 0.00 0.00 175.22 174.83 1ce6 s LEU 23 N 0.56 4.16 0.04 -0.37 2.96 0.78 0.76 118.68 127.57 1ce6 s LEU 23 Ca -0.07 -0.12 0.07 0.00 -0.22 0.00 0.00 54.13 53.79 1ce6 s LEU 23 Cb -0.11 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 1ce6 s LEU 23 CO 0.00 -0.10 -0.17 0.20 -1.32 0.00 0.00 176.35 174.96 1ce6 s ASN 24 N 1.75 3.90 -0.31 3.68 0.01 0.24 -1.32 114.94 122.89 1ce6 s ASN 24 Ca 0.07 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 51.82 1ce6 s ASN 24 Cb -0.16 -0.66 0.10 0.00 0.41 0.00 0.00 41.25 40.94 1ce6 s ASN 24 CO 0.11 0.25 0.09 0.00 -1.51 0.00 0.00 177.10 176.04 1ce6 s TYR 26 N 1.49 2.84 -0.11 0.00 5.04 -0.42 -1.24 117.35 124.95 1ce6 s TYR 26 Ca 0.10 -0.90 -0.23 0.00 -2.44 0.00 0.00 57.07 53.60 1ce6 s TYR 26 Cb -0.18 -4.32 -0.03 0.00 0.35 0.00 0.00 41.96 37.78 1ce6 s TYR 26 CO -0.22 -1.61 0.70 0.08 -1.34 0.00 0.00 175.55 173.16 1ce6 s VAL 27 N 3.60 5.02 0.34 3.14 1.01 -1.12 -2.54 120.40 129.86 1ce6 s VAL 27 Ca 0.28 1.41 -0.00 0.00 0.00 0.00 0.00 61.98 63.67 1ce6 s VAL 27 Cb -0.11 -4.03 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 1ce6 s VAL 27 CO 0.01 0.20 0.43 -0.94 0.00 0.00 0.00 175.10 174.80 1ce6 s SER 28 N 0.91 1.11 -1.72 3.32 1.04 -0.10 -0.69 113.70 117.57 1ce6 s SER 28 Ca 0.36 -1.56 0.00 0.00 0.48 0.00 0.00 55.95 55.23 1ce6 s SER 28 Cb -0.17 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1ce6 s SER 28 CO 0.16 -1.25 0.00 0.61 0.98 0.00 0.00 173.24 173.74 1ce6 n GLY 29 N -0.58 1.54 4.00 7.32 0.00 -0.25 -0.56 105.19 116.66 1ce6 n GLY 29 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 1ce6 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ce6 s PHE 30 N -2.36 2.60 -0.30 1.61 -0.71 -1.10 -4.56 117.98 113.16 1ce6 s PHE 30 Ca 0.00 -0.35 -0.17 0.00 -1.04 0.00 0.00 56.93 55.36 1ce6 s PHE 30 Cb 0.00 -2.47 0.20 0.00 -1.21 0.00 0.00 43.02 39.54 1ce6 s PHE 30 CO 0.00 -0.66 1.23 -1.58 -1.34 0.00 0.00 175.22 172.87 1ce6 s HIS 31 N -2.51 -0.16 1.27 3.49 2.46 -0.91 -0.71 115.29 118.21 1ce6 s HIS 31 Ca 0.57 0.33 -0.18 0.00 0.47 0.00 0.00 55.06 56.24 1ce6 s HIS 31 Cb -0.09 0.16 0.31 0.00 -0.13 0.00 0.00 32.58 32.83 1ce6 s HIS 31 CO 0.35 -0.08 1.01 -1.25 -2.47 0.00 0.00 174.74 172.31 1ce6 s PRO 32 N 0.93 -1.72 0.29 2.88 0.04 -1.26 -0.41 135.00 135.74 1ce6 s PRO 32 Ca -0.06 0.28 0.05 0.00 0.04 0.00 0.00 61.00 61.31 1ce6 s PRO 32 Cb -0.03 -1.51 0.44 0.00 0.04 0.00 0.00 34.50 33.45 1ce6 s PRO 32 CO -0.11 -4.12 1.71 0.66 0.04 0.00 0.00 177.00 175.18 1ce6 h SER 33 N -2.88 0.33 -0.73 6.66 4.64 -1.98 -3.43 113.55 116.16 1ce6 h SER 33 Ca -0.50 -0.13 -0.53 0.00 -0.47 0.00 0.00 61.79 60.16 1ce6 h SER 33 Cb 1.33 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 63.29 1ce6 h SER 33 CO 0.38 0.67 1.63 0.47 -0.87 0.00 0.00 176.83 179.12 1ce6 n ASP 34 N -4.06 1.32 -4.09 4.97 8.00 -1.26 -4.88 116.55 116.55 1ce6 n ASP 34 Ca -0.01 0.02 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 1ce6 n ASP 34 Cb 0.45 -1.20 -0.11 0.00 -0.02 0.00 0.00 41.12 40.24 1ce6 n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1ce6 s ILE 35 N 9.60 0.53 -0.14 0.53 2.07 -1.26 -4.56 121.20 127.98 1ce6 s ILE 35 Ca 1.18 -1.40 0.00 0.00 -1.41 0.00 0.00 60.65 59.02 1ce6 s ILE 35 Cb -0.84 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 40.77 1ce6 s ILE 35 CO 0.42 -0.60 -0.12 -0.70 -1.91 0.00 0.00 174.94 172.03 1ce6 s GLU 36 N -2.48 2.07 -0.06 3.50 2.12 0.01 -5.00 118.70 118.87 1ce6 s GLU 36 Ca -0.02 -0.47 0.02 0.00 0.36 0.00 0.00 54.97 54.85 1ce6 s GLU 36 Cb -0.04 -1.94 0.02 0.00 0.26 0.00 0.00 34.13 32.43 1ce6 s GLU 36 CO -0.02 -0.23 -0.08 0.08 -0.54 0.00 0.00 175.26 174.46 1ce6 s VAL 37 N 1.52 0.82 0.06 3.70 1.01 -1.26 0.52 120.40 126.76 1ce6 s VAL 37 Ca 0.04 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.79 1ce6 s VAL 37 Cb -0.13 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 1ce6 s VAL 37 CO -0.09 0.29 -0.15 -1.81 0.00 0.00 0.00 175.10 173.34 1ce6 s ASP 38 N 0.82 1.74 -0.13 3.32 1.01 0.89 -4.99 116.67 119.33 1ce6 s ASP 38 Ca -0.12 -0.54 -0.07 0.00 0.71 0.00 0.00 52.55 52.53 1ce6 s ASP 38 Cb -0.15 -0.09 -0.04 0.00 1.01 0.00 0.00 42.92 43.65 1ce6 s ASP 38 CO 0.02 -0.01 0.12 -0.76 0.21 0.00 0.00 175.17 174.75 1ce6 s LEU 39 N -1.45 4.27 0.08 1.23 1.43 -1.26 0.13 118.68 123.11 1ce6 s LEU 39 Ca 0.00 0.39 0.09 0.00 -1.03 0.00 0.00 54.13 53.58 1ce6 s LEU 39 Cb -0.09 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 1ce6 s LEU 39 CO 0.02 0.36 -0.22 -0.76 0.23 0.00 0.00 176.35 175.98 1ce6 s LEU 40 N -0.75 2.45 -0.14 1.79 1.43 0.30 -0.77 118.68 122.99 1ce6 s LEU 40 Ca 0.13 -0.57 -0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1ce6 s LEU 40 Cb -0.12 -1.40 0.03 0.00 0.03 0.00 0.00 46.19 44.74 1ce6 s LEU 40 CO 0.03 0.22 -0.07 -0.75 0.23 0.00 0.00 176.35 176.01 1ce6 s LYS 41 N -1.66 1.56 -1.58 1.70 2.20 0.44 -1.81 119.74 120.58 1ce6 s LYS 41 Ca 0.14 -0.38 -0.10 0.00 -0.36 0.00 0.00 55.97 55.27 1ce6 s LYS 41 Cb -0.10 -1.79 0.08 0.00 -1.51 0.00 0.00 37.83 34.51 1ce6 s LYS 41 CO 0.06 -0.33 0.57 0.09 -0.36 0.00 0.00 175.35 175.38 1ce6 n ASN 42 N 4.90 -1.74 0.00 1.43 3.02 0.29 -0.05 115.26 123.11 1ce6 n ASN 42 Ca -0.13 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 1ce6 n ASN 42 Cb 0.49 -2.75 0.00 0.00 -0.61 0.00 0.00 39.78 36.91 1ce6 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ce6 n GLY 43 N -1.73 0.65 3.59 7.41 0.00 -1.26 -5.00 105.19 108.84 1ce6 n GLY 43 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1ce6 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ce6 s GLU 44 N -0.33 2.78 0.08 1.61 0.41 0.93 -5.03 118.70 119.14 1ce6 s GLU 44 Ca 0.00 -0.53 -0.31 0.00 -0.41 0.00 0.00 54.97 53.72 1ce6 s GLU 44 Cb 0.00 -2.61 -0.09 0.00 -1.78 0.00 0.00 34.13 29.65 1ce6 s GLU 44 CO 0.00 0.66 1.78 0.50 -0.49 0.00 0.00 175.26 177.71 1ce6 s ARG 45 N -0.80 4.16 -0.14 1.61 3.52 -1.26 -0.42 118.95 125.63 1ce6 s ARG 45 Ca 0.12 2.48 -0.29 0.00 -0.13 0.00 0.00 55.73 57.91 1ce6 s ARG 45 Cb -0.11 -3.72 -0.02 0.00 -1.56 0.00 0.00 34.95 29.54 1ce6 s ARG 45 CO 0.02 -0.83 1.22 0.42 -0.81 0.00 0.00 175.30 175.32 1ce6 s ILE 46 N 3.11 4.32 0.00 4.11 1.01 0.05 -4.90 121.20 128.90 1ce6 s ILE 46 Ca 0.79 1.62 0.00 0.00 0.00 0.00 0.00 60.65 63.06 1ce6 s ILE 46 Cb -0.42 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.01 1ce6 s ILE 46 CO 0.35 -0.10 0.07 -0.62 0.00 0.00 0.00 174.94 174.64 1ce6 n GLU 47 N 6.13 0.00 -2.15 2.79 -0.58 -1.26 -4.45 120.64 121.12 1ce6 n GLU 47 Ca 0.13 0.03 -0.40 0.00 -0.42 0.00 0.00 57.16 56.50 1ce6 n GLU 47 Cb 0.45 -0.57 -0.03 0.00 -0.57 0.00 0.00 31.44 30.73 1ce6 n GLU 47 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1ce6 s LYS 48 N -0.14 2.97 -0.05 3.49 2.20 -1.26 -4.96 119.74 121.99 1ce6 s LYS 48 Ca 0.00 0.69 -0.01 0.00 -0.36 0.00 0.00 55.97 56.29 1ce6 s LYS 48 Cb 0.00 -4.27 0.03 0.00 -1.51 0.00 0.00 37.83 32.08 1ce6 s LYS 48 CO 0.00 -2.33 0.04 0.08 -0.36 0.00 0.00 175.35 172.78 1ce6 s VAL 49 N 7.72 0.05 0.71 4.02 1.01 -1.26 -4.90 120.40 127.75 1ce6 s VAL 49 Ca 0.64 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1ce6 s VAL 49 Cb -0.14 -0.25 0.13 0.00 0.00 0.00 0.00 36.38 36.12 1ce6 s VAL 49 CO 0.24 0.19 0.98 -1.61 0.00 0.00 0.00 175.10 174.91 1ce6 s GLU 50 N 1.92 1.69 -0.14 2.72 2.02 -0.82 -4.87 118.70 121.23 1ce6 s GLU 50 Ca 0.02 -1.18 -0.31 0.00 0.02 0.00 0.00 54.97 53.53 1ce6 s GLU 50 Cb -0.12 -2.35 0.13 0.00 0.10 0.00 0.00 34.13 31.88 1ce6 s GLU 50 CO -0.03 -1.43 1.04 -3.38 0.02 0.00 0.00 175.26 171.48 1ce6 s HIS 51 N -3.11 -0.29 1.19 1.61 -3.43 -1.26 -0.03 115.29 109.97 1ce6 s HIS 51 Ca 0.66 0.38 -0.15 0.00 -0.80 0.00 0.00 55.06 55.15 1ce6 s HIS 51 Cb -0.05 0.49 0.25 0.00 -1.43 0.00 0.00 32.58 31.83 1ce6 s HIS 51 CO 0.44 -0.34 0.68 -1.13 -2.00 0.00 0.00 174.74 172.40 1ce6 n SER 52 N 0.33 -2.12 -0.03 7.38 3.41 -0.35 -4.90 113.62 117.34 1ce6 n SER 52 Ca -0.07 -0.21 -0.16 0.00 -0.26 0.00 0.00 58.87 58.17 1ce6 n SER 52 Cb 0.59 -1.14 -0.09 0.00 -0.26 0.00 0.00 64.21 63.31 1ce6 n SER 52 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ce6 h ASP 53 N -2.58 0.64 0.00 4.04 3.32 -1.93 -3.43 116.42 116.49 1ce6 h ASP 53 Ca -0.60 -0.65 0.00 0.00 0.02 0.00 0.00 57.03 55.80 1ce6 h ASP 53 Cb 1.35 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1ce6 h ASP 53 CO 0.46 1.19 0.00 -0.11 -1.72 0.00 0.00 179.24 179.06 1ce6 n LEU 54 N -4.20 0.00 -3.85 1.55 7.94 -1.26 -5.08 117.00 112.09 1ce6 n LEU 54 Ca -0.08 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.76 1ce6 n LEU 54 Cb 0.62 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.59 1ce6 n LEU 54 CO 0.47 0.00 0.69 -0.44 -1.11 0.00 0.00 177.39 177.00 1ce6 s SER 55 N 0.00 0.03 0.19 1.96 0.01 -1.19 -5.00 113.70 109.69 1ce6 s SER 55 Ca 0.00 -0.94 -0.07 0.00 1.31 0.00 0.00 55.95 56.25 1ce6 s SER 55 Cb 0.00 0.67 -0.02 0.00 0.21 0.00 0.00 66.02 66.89 1ce6 s SER 55 CO 0.00 -1.34 0.28 0.72 0.41 0.00 0.00 173.24 173.30 1ce6 s PHE 56 N -2.10 0.60 0.35 2.43 -0.12 -1.26 -0.77 117.98 117.11 1ce6 s PHE 56 Ca 0.20 -0.94 0.04 0.00 -0.05 0.00 0.00 56.93 56.18 1ce6 s PHE 56 Cb -0.04 -0.15 0.04 0.00 -0.63 0.00 0.00 43.02 42.24 1ce6 s PHE 56 CO 0.09 -0.75 0.34 0.43 -0.05 0.00 0.00 175.22 175.28 1ce6 n SER 57 N -0.26 1.82 -0.33 1.98 7.64 -0.32 -4.93 113.62 119.22 1ce6 n SER 57 Ca -0.04 -2.11 0.17 0.00 1.01 0.00 0.00 58.87 57.91 1ce6 n SER 57 Cb 0.63 -0.11 0.40 0.00 -1.01 0.00 0.00 64.21 64.12 1ce6 n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1ce6 h LYS 58 N 0.00 0.59 -0.15 1.43 1.57 -2.03 0.62 116.57 118.60 1ce6 h LYS 58 Ca -0.20 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1ce6 h LYS 58 Cb 0.79 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1ce6 h LYS 58 CO 0.31 0.39 0.00 -0.40 -0.57 0.00 0.00 179.45 179.17 1ce6 n ASP 59 N -4.72 0.17 0.00 0.86 5.75 -1.26 -4.86 116.55 112.49 1ce6 n ASP 59 Ca 0.24 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 1ce6 n ASP 59 Cb 0.69 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 1ce6 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1ce6 n TRP 60 N -0.42 0.00 -2.21 2.11 7.02 0.22 -4.98 117.44 119.18 1ce6 n TRP 60 Ca 0.00 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.07 1ce6 n TRP 60 Cb 0.04 -0.31 -0.03 0.00 -2.42 0.00 0.00 31.31 28.59 1ce6 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1ce6 s SER 61 N -3.33 6.89 0.77 -0.99 1.04 -1.26 -4.61 113.70 112.21 1ce6 s SER 61 Ca 0.00 2.45 -0.12 0.00 0.48 0.00 0.00 55.95 58.76 1ce6 s SER 61 Cb 0.00 -2.62 0.06 0.00 0.10 0.00 0.00 66.02 63.56 1ce6 s SER 61 CO 0.00 -0.52 1.11 -0.36 0.98 0.00 0.00 173.24 174.45 1ce6 s PHE 62 N -0.14 2.99 -0.28 5.02 0.08 0.11 -1.18 117.98 124.59 1ce6 s PHE 62 Ca 0.55 1.06 -0.21 0.00 0.12 0.00 0.00 56.93 58.45 1ce6 s PHE 62 Cb -0.37 -3.15 0.09 0.00 -0.57 0.00 0.00 43.02 39.02 1ce6 s PHE 62 CO 0.41 -1.60 0.78 1.52 -0.10 0.00 0.00 175.22 176.22 1ce6 s TYR 63 N -3.27 -0.82 0.43 0.36 -0.85 0.05 -1.09 117.35 112.15 1ce6 s TYR 63 Ca 0.60 1.82 0.02 0.00 -0.52 0.00 0.00 57.07 58.99 1ce6 s TYR 63 Cb -0.13 0.42 -0.01 0.00 0.38 0.00 0.00 41.96 42.62 1ce6 s TYR 63 CO 0.53 -0.40 0.08 1.28 -1.52 0.00 0.00 175.55 175.52 1ce6 n LEU 64 N 3.29 0.00 -3.39 -3.49 4.77 0.13 -3.19 117.00 115.11 1ce6 n LEU 64 Ca -0.16 -2.99 -0.15 0.00 -0.03 0.00 0.00 56.01 52.68 1ce6 n LEU 64 Cb 0.57 0.72 -0.09 0.00 -2.33 0.00 0.00 43.42 42.28 1ce6 n LEU 64 CO 0.01 -0.45 -0.15 -0.22 -1.33 0.00 0.00 177.39 175.26 1ce6 s LEU 65 N 0.00 -0.35 0.13 2.23 2.96 -1.26 -2.77 118.68 119.62 1ce6 s LEU 65 Ca 0.12 -0.53 -0.25 0.00 -0.22 0.00 0.00 54.13 53.25 1ce6 s LEU 65 Cb 0.01 0.65 -0.07 0.00 0.50 0.00 0.00 46.19 47.27 1ce6 s LEU 65 CO 0.08 -0.37 0.75 -0.31 -1.32 0.00 0.00 176.35 175.18 1ce6 s TYR 66 N 2.41 3.87 0.14 5.38 1.51 -0.37 -1.21 117.35 129.06 1ce6 s TYR 66 Ca 0.09 1.56 -0.14 0.00 -1.01 0.00 0.00 57.07 57.58 1ce6 s TYR 66 Cb -0.14 -2.74 0.02 0.00 -0.11 0.00 0.00 41.96 38.99 1ce6 s TYR 66 CO -0.28 0.48 0.37 1.52 -1.11 0.00 0.00 175.55 176.53 1ce6 s TYR 67 N -0.95 -0.06 -0.03 2.71 1.13 0.96 -0.26 117.35 120.85 1ce6 s TYR 67 Ca 0.35 -0.29 -0.26 0.00 -1.41 0.00 0.00 57.07 55.46 1ce6 s TYR 67 Cb -0.22 0.19 0.06 0.00 -1.10 0.00 0.00 41.96 40.88 1ce6 s TYR 67 CO 0.25 -0.71 0.57 0.99 -2.51 0.00 0.00 175.55 174.14 1ce6 s THR 68 N -3.84 0.02 -0.03 -3.49 2.01 -0.43 -1.94 115.64 107.92 1ce6 s THR 68 Ca 0.06 -0.14 -0.27 0.00 0.31 0.00 0.00 61.69 61.64 1ce6 s THR 68 Cb 0.02 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 1ce6 s THR 68 CO -0.09 -0.08 0.87 -1.61 -0.69 0.00 0.00 174.62 173.03 1ce6 s GLU 69 N -1.39 4.50 0.16 4.92 2.02 -1.26 -0.16 118.70 127.50 1ce6 s GLU 69 Ca -0.11 1.21 -0.14 0.00 0.02 0.00 0.00 54.97 55.94 1ce6 s GLU 69 Cb -0.01 -3.46 0.02 0.00 0.10 0.00 0.00 34.13 30.77 1ce6 s GLU 69 CO 0.07 -0.03 0.41 -0.59 0.02 0.00 0.00 175.26 175.14 1ce6 s PHE 70 N 1.02 0.01 -0.31 1.61 -0.71 -0.54 -4.91 117.98 114.14 1ce6 s PHE 70 Ca 0.46 -0.36 0.03 0.00 -1.04 0.00 0.00 56.93 56.02 1ce6 s PHE 70 Cb -0.20 0.22 0.09 0.00 -1.21 0.00 0.00 43.02 41.92 1ce6 s PHE 70 CO 0.23 -0.79 0.02 0.99 -1.34 0.00 0.00 175.22 174.32 1ce6 s THR 71 N -3.88 1.97 0.45 -4.49 2.01 -1.26 0.72 115.64 111.16 1ce6 s THR 71 Ca 0.10 -1.95 -0.23 0.00 0.31 0.00 0.00 61.69 59.91 1ce6 s THR 71 Cb 0.01 -2.37 -0.09 0.00 0.01 0.00 0.00 72.50 70.06 1ce6 s THR 71 CO -0.05 -0.45 1.05 -2.65 -0.69 0.00 0.00 174.62 171.84 1ce6 n PRO 72 N 4.42 1.39 -4.34 4.92 -0.02 -1.26 -4.69 135.00 135.42 1ce6 n PRO 72 Ca -0.02 0.50 -0.17 0.00 -2.02 0.00 0.00 63.50 61.79 1ce6 n PRO 72 Cb 0.42 -2.13 -0.10 0.00 -0.02 0.00 0.00 33.50 31.67 1ce6 n PRO 72 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ce6 s THR 73 N -1.30 1.14 0.21 3.45 -4.23 -1.26 -1.63 115.64 112.02 1ce6 s THR 73 Ca 0.65 -2.05 -0.10 0.00 -1.18 0.00 0.00 61.69 59.01 1ce6 s THR 73 Cb -0.52 -2.32 0.15 0.00 1.34 0.00 0.00 72.50 71.15 1ce6 s THR 73 CO 0.55 -0.36 1.87 -0.08 -0.54 0.00 0.00 174.62 176.06 1ce6 h GLU 74 N 2.47 0.92 -0.15 3.99 4.81 -1.98 -3.26 114.58 121.38 1ce6 h GLU 74 Ca -0.38 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1ce6 h GLU 74 Cb 1.22 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1ce6 h GLU 74 CO 0.65 0.61 0.00 1.63 -0.73 0.00 0.00 179.01 181.17 1ce6 n LYS 75 N -4.61 1.73 -2.67 1.92 5.02 -1.26 -4.94 118.16 113.35 1ce6 n LYS 75 Ca 0.07 -1.72 -0.43 0.00 -2.02 0.00 0.00 58.31 54.21 1ce6 n LYS 75 Cb 0.05 -1.35 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 1ce6 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ce6 s ASP 76 N -1.32 6.99 -0.07 4.39 1.01 -1.23 -5.02 116.67 121.42 1ce6 s ASP 76 Ca 0.24 1.17 -0.18 0.00 0.71 0.00 0.00 52.55 54.49 1ce6 s ASP 76 Cb 0.15 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.50 1ce6 s ASP 76 CO 0.22 -0.78 0.49 -1.61 0.21 0.00 0.00 175.17 173.71 1ce6 s GLU 77 N 3.42 4.26 0.02 8.23 2.02 -1.26 -4.74 118.70 130.65 1ce6 s GLU 77 Ca 0.44 0.51 0.08 0.00 0.02 0.00 0.00 54.97 56.02 1ce6 s GLU 77 Cb -0.13 -3.38 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 1ce6 s GLU 77 CO 0.11 0.30 -0.24 0.71 0.02 0.00 0.00 175.26 176.17 1ce6 s TYR 78 N 0.14 2.10 0.23 1.61 2.02 -1.26 -0.55 117.35 121.63 1ce6 s TYR 78 Ca 0.27 -0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 56.47 1ce6 s TYR 78 Cb -0.16 -1.30 -0.01 0.00 -0.40 0.00 0.00 41.96 40.09 1ce6 s TYR 78 CO 0.12 0.05 0.40 0.00 -1.57 0.00 0.00 175.55 174.55 1ce6 s ALA 79 N -0.69 0.00 -0.06 3.71 0.00 -0.75 0.81 121.76 124.78 1ce6 s ALA 79 Ca 0.09 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.10 1ce6 s ALA 79 Cb -0.09 1.10 -0.00 0.00 0.00 0.00 0.00 23.12 24.12 1ce6 s ALA 79 CO 0.01 -0.79 -0.18 0.00 0.00 0.00 0.00 175.76 174.80 1ce6 s ARG 81 N 0.18 3.20 -0.01 0.00 3.52 0.12 -0.15 118.95 125.81 1ce6 s ARG 81 Ca -0.08 -0.64 0.04 0.00 -0.13 0.00 0.00 55.73 54.92 1ce6 s ARG 81 Cb -0.13 -2.63 -0.01 0.00 -1.56 0.00 0.00 34.95 30.62 1ce6 s ARG 81 CO 0.04 0.35 -0.12 0.08 -0.81 0.00 0.00 175.30 174.84 1ce6 s VAL 82 N 0.02 0.92 -0.06 7.11 1.01 -0.53 -0.08 120.40 128.79 1ce6 s VAL 82 Ca -0.03 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1ce6 s VAL 82 Cb -0.14 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.49 1ce6 s VAL 82 CO 0.04 0.25 -0.05 0.21 0.00 0.00 0.00 175.10 175.55 1ce6 s ASN 83 N -0.30 1.23 0.08 3.32 3.84 0.18 -1.04 114.94 122.25 1ce6 s ASN 83 Ca 0.04 -0.16 -0.03 0.00 0.21 0.00 0.00 52.86 52.92 1ce6 s ASN 83 Cb -0.05 -0.53 -0.03 0.00 -0.55 0.00 0.00 41.25 40.10 1ce6 s ASN 83 CO -0.00 -0.06 0.06 -2.28 -2.79 0.00 0.00 177.10 172.02 1ce6 s HIS 84 N 1.06 0.50 0.54 0.43 5.65 -1.26 -0.81 115.29 121.40 1ce6 s HIS 84 Ca -0.09 -0.98 0.33 0.00 0.25 0.00 0.00 55.06 54.58 1ce6 s HIS 84 Cb -0.14 -0.31 1.87 0.00 -1.18 0.00 0.00 32.58 32.82 1ce6 s HIS 84 CO -0.01 -0.47 2.23 -0.24 -0.65 0.00 0.00 174.74 175.60 1ce6 h VAL 85 N 2.96 0.37 0.00 0.89 3.04 -1.95 -0.86 116.25 120.70 1ce6 h VAL 85 Ca -0.34 -0.17 -0.06 0.00 -1.01 0.00 0.00 66.70 65.13 1ce6 h VAL 85 Cb 1.17 1.12 -0.01 0.00 -2.01 0.00 0.00 31.29 31.56 1ce6 h VAL 85 CO 0.61 0.03 -0.27 0.71 -1.01 0.00 0.00 177.57 177.64 1ce6 h THR 86 N 0.00 0.70 -3.41 3.17 1.35 -1.91 -3.43 112.91 109.38 1ce6 h THR 86 Ca -0.00 -1.17 -0.60 0.00 -0.55 0.00 0.00 66.41 64.09 1ce6 h THR 86 Cb 0.11 1.75 -0.10 0.00 -1.73 0.00 0.00 68.15 68.19 1ce6 h THR 86 CO 0.00 0.26 0.22 -0.76 -0.25 0.00 0.00 175.52 175.00 1ce6 s LEU 87 N -7.02 4.10 0.52 3.87 1.43 -0.33 -4.92 118.68 116.33 1ce6 s LEU 87 Ca -0.00 0.84 0.29 0.00 -1.03 0.00 0.00 54.13 54.23 1ce6 s LEU 87 Cb 0.11 -2.96 1.45 0.00 0.03 0.00 0.00 46.19 44.82 1ce6 s LEU 87 CO 0.65 -0.37 2.06 0.77 0.23 0.00 0.00 176.35 179.69 1ce6 h SER 88 N 7.68 0.00 -5.01 2.29 4.64 -1.84 -3.44 113.55 117.87 1ce6 h SER 88 Ca -0.28 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.94 1ce6 h SER 88 Cb 1.12 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.03 1ce6 h SER 88 CO 0.80 0.11 -0.23 -1.58 -0.87 0.00 0.00 176.83 175.06 1ce6 s GLN 89 N -4.10 0.75 0.11 4.77 0.74 -1.26 -5.12 119.66 115.56 1ce6 s GLN 89 Ca -0.02 -0.29 -0.33 0.00 0.05 0.00 0.00 55.36 54.77 1ce6 s GLN 89 Cb 0.12 0.33 -0.13 0.00 1.10 0.00 0.00 33.01 34.44 1ce6 s GLN 89 CO 0.58 -0.23 1.69 -2.30 -0.55 0.00 0.00 175.29 174.48 1ce6 n PRO 90 N 0.97 2.31 -3.21 1.67 -0.02 -1.26 -4.93 135.00 130.53 1ce6 n PRO 90 Ca -0.20 0.84 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 1ce6 n PRO 90 Cb 0.57 -2.65 -0.07 0.00 -0.02 0.00 0.00 33.50 31.33 1ce6 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1ce6 s LYS 91 N 1.84 3.80 -0.07 -0.52 2.20 -0.21 -4.88 119.74 121.90 1ce6 s LYS 91 Ca 0.82 0.07 -0.06 0.00 -0.36 0.00 0.00 55.97 56.43 1ce6 s LYS 91 Cb -0.64 -3.75 -0.04 0.00 -1.51 0.00 0.00 37.83 31.89 1ce6 s LYS 91 CO 0.40 -0.55 0.17 0.42 -0.36 0.00 0.00 175.35 175.43 1ce6 s ILE 92 N 2.43 5.46 -0.10 5.43 1.01 -1.26 -1.45 121.20 132.72 1ce6 s ILE 92 Ca 0.21 0.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.96 1ce6 s ILE 92 Cb -0.15 -3.46 0.03 0.00 0.01 0.00 0.00 42.46 38.89 1ce6 s ILE 92 CO 0.12 0.51 -0.01 -0.69 0.00 0.00 0.00 174.94 174.87 1ce6 s VAL 93 N -1.14 0.56 0.39 2.92 1.01 0.78 -4.96 120.40 119.96 1ce6 s VAL 93 Ca 0.20 -0.08 -0.25 0.00 0.00 0.00 0.00 61.98 61.84 1ce6 s VAL 93 Cb -0.12 -0.73 -0.09 0.00 0.00 0.00 0.00 36.38 35.43 1ce6 s VAL 93 CO 0.10 0.22 1.15 -0.54 0.00 0.00 0.00 175.10 176.02 1ce6 s LYS 94 N 1.89 4.13 -0.60 2.72 1.02 -1.26 -1.00 119.74 126.64 1ce6 s LYS 94 Ca 0.04 1.80 -0.28 0.00 0.02 0.00 0.00 55.97 57.55 1ce6 s LYS 94 Cb -0.13 -2.71 0.03 0.00 -0.52 0.00 0.00 37.83 34.50 1ce6 s LYS 94 CO -0.06 -0.24 1.22 -0.46 -0.92 0.00 0.00 175.35 174.88 1ce6 s TRP 95 N -1.42 2.55 -1.08 3.18 -0.00 0.24 -4.84 118.94 117.57 1ce6 s TRP 95 Ca 0.56 0.37 -0.12 0.00 -0.00 0.00 0.00 56.10 56.91 1ce6 s TRP 95 Cb -0.30 -4.52 0.24 0.00 -0.00 0.00 0.00 33.47 28.89 1ce6 s TRP 95 CO 0.37 -1.66 1.13 0.34 -0.00 0.00 0.00 176.95 177.13 1ce6 s ASP 96 N 3.13 7.14 0.21 5.86 -1.08 -1.26 -4.74 116.67 125.92 1ce6 s ASP 96 Ca 0.43 -3.22 -0.10 0.00 -0.52 0.00 0.00 52.55 49.14 1ce6 s ASP 96 Cb -0.08 -2.26 0.31 0.00 -1.46 0.00 0.00 42.92 39.43 1ce6 s ASP 96 CO 0.24 -0.48 1.70 0.08 0.52 0.00 0.00 175.17 177.23 1ce6 h ARG 97 N 7.09 0.23 -1.27 4.34 0.11 -1.93 -1.82 114.38 121.12 1ce6 h ARG 97 Ca 0.20 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.26 1ce6 h ARG 97 Cb 0.91 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.94 1ce6 h ARG 97 CO 1.03 0.15 0.00 -0.25 0.10 0.00 0.00 179.97 181.00 1ce6 n ASP 98 N -5.15 1.42 -0.32 0.08 8.00 -1.26 -4.91 116.55 114.40 1ce6 n ASP 98 Ca 0.09 -1.09 0.15 0.00 0.71 0.00 0.00 54.79 54.65 1ce6 n ASP 98 Cb 0.34 -0.27 0.67 0.00 -0.02 0.00 0.00 41.12 41.84 1ce6 n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61