#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j89 s PRO 5 N 0.00 3.69 -0.13 1.64 0.04 -1.26 -5.03 135.00 133.95 1j89 s PRO 5 Ca 0.00 0.43 -0.04 0.00 0.04 0.00 0.00 61.00 61.43 1j89 s PRO 5 Cb 0.00 -2.34 0.05 0.00 0.04 0.00 0.00 34.50 32.25 1j89 s PRO 5 CO 0.00 -0.16 0.11 0.21 0.04 0.00 0.00 177.00 177.20 1j89 s LYS 6 N -4.30 0.03 -0.00 4.56 2.20 -1.26 -4.26 119.74 116.70 1j89 s LYS 6 Ca 0.51 0.17 -0.30 0.00 -0.36 0.00 0.00 55.97 55.99 1j89 s LYS 6 Cb -0.10 -1.17 -0.06 0.00 -1.51 0.00 0.00 37.83 34.99 1j89 s LYS 6 CO 0.38 -0.52 1.58 0.08 -0.36 0.00 0.00 175.35 176.51 1j89 s VAL 7 N 2.19 3.46 0.26 4.02 1.01 -1.26 -2.62 120.40 127.46 1j89 s VAL 7 Ca 0.04 0.76 0.07 0.00 0.00 0.00 0.00 61.98 62.84 1j89 s VAL 7 Cb -0.14 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1j89 s VAL 7 CO -0.07 -0.03 0.24 -0.94 0.00 0.00 0.00 175.10 174.29 1j89 s SER 8 N 2.63 5.60 0.16 3.32 1.04 -0.12 -4.97 113.70 121.35 1j89 s SER 8 Ca 0.71 -0.25 0.06 0.00 0.48 0.00 0.00 55.95 56.95 1j89 s SER 8 Cb -0.35 -1.39 -0.04 0.00 0.10 0.00 0.00 66.02 64.34 1j89 s SER 8 CO 0.29 -0.10 -0.13 -0.76 0.98 0.00 0.00 173.24 173.53 1j89 s LEU 9 N -3.89 2.51 -0.29 2.42 1.43 -1.26 -1.97 118.68 117.62 1j89 s LEU 9 Ca 0.34 -0.96 -0.04 0.00 -1.03 0.00 0.00 54.13 52.45 1j89 s LEU 9 Cb -0.08 -0.54 0.17 0.00 0.03 0.00 0.00 46.19 45.77 1j89 s LEU 9 CO 0.26 -0.21 0.58 0.21 0.23 0.00 0.00 176.35 177.42 1j89 s ASN 10 N -3.03 -1.12 1.06 2.29 2.47 -0.99 -4.05 114.94 111.58 1j89 s ASN 10 Ca 0.17 0.99 -0.17 0.00 0.42 0.00 0.00 52.86 54.26 1j89 s ASN 10 Cb -0.01 2.06 0.06 0.00 -1.45 0.00 0.00 41.25 41.92 1j89 s ASN 10 CO 0.04 -0.25 0.02 -2.65 -3.72 0.00 0.00 177.10 170.54 1j89 n PRO 11 N 5.43 -1.11 0.19 0.43 -0.02 -1.26 -2.06 135.00 136.59 1j89 n PRO 11 Ca -0.04 -0.30 0.05 0.00 -2.02 0.00 0.00 63.50 61.19 1j89 n PRO 11 Cb 0.50 -1.69 0.35 0.00 -0.02 0.00 0.00 33.50 32.64 1j89 n PRO 11 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1j89 h PRO 12 N -1.85 0.00 -6.13 0.52 0.11 -1.94 -3.45 132.00 119.27 1j89 h PRO 12 Ca -0.50 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 64.94 1j89 h PRO 12 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1j89 h PRO 12 CO 0.36 0.37 1.17 0.91 -0.21 0.00 0.00 178.00 180.60 1j89 n TRP 13 N -3.60 2.00 -1.01 0.65 5.03 -1.26 -4.85 117.44 114.40 1j89 n TRP 13 Ca -0.01 0.23 0.03 0.00 3.03 0.00 0.00 57.50 60.78 1j89 n TRP 13 Cb 0.49 -2.57 0.32 0.00 -1.03 0.00 0.00 31.31 28.53 1j89 n TRP 13 CO 0.00 0.00 0.00 0.27 -0.03 0.00 0.00 177.69 177.93 1j89 n ASN 14 N 7.59 4.78 -3.61 -0.99 6.94 -1.26 -4.73 115.26 123.98 1j89 n ASN 14 Ca 0.30 -3.10 -0.28 0.00 -0.02 0.00 0.00 54.58 51.48 1j89 n ASN 14 Cb 0.23 -0.67 -0.16 0.00 -2.36 0.00 0.00 39.78 36.83 1j89 n ASN 14 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1j89 s ARG 15 N -2.89 0.31 0.22 -3.83 0.52 -1.26 -2.72 118.95 109.30 1j89 s ARG 15 Ca 0.51 -0.50 0.09 0.00 -0.52 0.00 0.00 55.73 55.31 1j89 s ARG 15 Cb 0.40 -1.58 -0.05 0.00 0.52 0.00 0.00 34.95 34.25 1j89 s ARG 15 CO 0.12 -0.88 -0.17 0.96 0.02 0.00 0.00 175.30 175.35 1j89 s ILE 16 N 2.00 1.99 1.15 1.52 -4.36 0.48 -4.86 121.20 119.12 1j89 s ILE 16 Ca 0.06 -2.23 -0.19 0.00 -0.26 0.00 0.00 60.65 58.03 1j89 s ILE 16 Cb -0.16 -2.10 0.27 0.00 1.25 0.00 0.00 42.46 41.73 1j89 s ILE 16 CO -0.25 -0.48 1.20 -0.36 0.24 0.00 0.00 174.94 175.29 1j89 s PHE 17 N -2.66 0.59 -0.07 1.37 2.99 -1.26 0.64 117.98 119.58 1j89 s PHE 17 Ca 0.24 0.33 -0.26 0.00 0.00 0.00 0.00 56.93 57.24 1j89 s PHE 17 Cb -0.03 -3.78 -0.03 0.00 0.00 0.00 0.00 43.02 39.18 1j89 s PHE 17 CO 0.09 -3.61 0.83 0.21 -0.00 0.00 0.00 175.22 172.75 1j89 s LYS 18 N -5.67 4.45 0.00 0.44 2.20 -0.39 -3.71 119.74 117.05 1j89 s LYS 18 Ca 0.74 1.10 0.00 0.00 -0.36 0.00 0.00 55.97 57.45 1j89 s LYS 18 Cb -0.06 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 1j89 s LYS 18 CO 0.55 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.89 1j89 n GLY 19 N 3.10 0.65 3.87 5.54 0.00 0.17 -4.81 105.19 113.71 1j89 n GLY 19 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1j89 n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j89 s GLU 20 N -0.78 3.65 -0.00 1.61 2.02 -1.24 -3.50 118.70 120.45 1j89 s GLU 20 Ca 0.00 0.73 0.02 0.00 0.02 0.00 0.00 54.97 55.74 1j89 s GLU 20 Cb 0.00 -2.12 -0.03 0.00 0.10 0.00 0.00 34.13 32.08 1j89 s GLU 20 CO 0.00 -0.49 -0.04 -0.80 0.02 0.00 0.00 175.26 173.95 1j89 s ASN 21 N -4.00 4.84 0.02 -0.19 0.01 -1.26 -2.18 114.94 112.18 1j89 s ASN 21 Ca 0.55 -0.08 0.01 0.00 -0.71 0.00 0.00 52.86 52.63 1j89 s ASN 21 Cb -0.11 -1.19 -0.02 0.00 0.41 0.00 0.00 41.25 40.34 1j89 s ASN 21 CO 0.50 0.29 -0.04 0.54 -1.51 0.00 0.00 177.10 176.88 1j89 s VAL 22 N -1.02 0.21 -0.16 1.60 0.11 -0.69 -4.70 120.40 115.75 1j89 s VAL 22 Ca 0.18 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.51 1j89 s VAL 22 Cb -0.11 -0.29 0.00 0.00 -1.53 0.00 0.00 36.38 34.44 1j89 s VAL 22 CO 0.08 -0.33 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.47 1j89 s THR 23 N -1.06 2.57 -0.41 5.04 2.01 -0.88 -1.08 115.64 121.83 1j89 s THR 23 Ca -0.10 -0.80 -0.12 0.00 0.31 0.00 0.00 61.69 60.98 1j89 s THR 23 Cb -0.07 -2.08 0.05 0.00 0.01 0.00 0.00 72.50 70.40 1j89 s THR 23 CO -0.00 0.52 0.27 -0.76 -0.69 0.00 0.00 174.62 173.95 1j89 s LEU 24 N 0.88 5.06 -0.15 4.42 1.43 -0.44 -2.34 118.68 127.55 1j89 s LEU 24 Ca -0.04 -1.19 -0.10 0.00 -1.03 0.00 0.00 54.13 51.76 1j89 s LEU 24 Cb -0.15 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 1j89 s LEU 24 CO -0.01 -0.49 0.19 -0.89 0.23 0.00 0.00 176.35 175.38 1j89 s THR 25 N 1.55 5.39 0.22 5.49 2.01 -0.83 -1.02 115.64 128.44 1j89 s THR 25 Ca 0.03 0.32 -0.24 0.00 0.31 0.00 0.00 61.69 62.10 1j89 s THR 25 Cb -0.21 -3.50 -0.09 0.00 0.01 0.00 0.00 72.50 68.71 1j89 s THR 25 CO 0.06 0.49 0.81 0.00 -0.69 0.00 0.00 174.62 175.29 1j89 n ASN 27 N 1.14 0.00 0.00 0.00 5.15 -1.08 -4.80 115.26 115.68 1j89 n ASN 27 Ca -0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 1j89 n ASN 27 Cb 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.74 1j89 n ASN 27 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j89 n GLY 28 N 0.00 1.25 0.10 8.20 0.00 -1.26 -4.88 105.19 108.60 1j89 n GLY 28 Ca 0.00 0.52 -0.12 0.00 0.00 0.00 0.00 46.02 46.42 1j89 n GLY 28 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1j89 h ASN 29 N 0.00 -0.11 0.00 1.61 -1.24 -1.99 -3.46 115.58 110.39 1j89 h ASN 29 Ca 0.00 -0.43 0.00 0.00 0.71 0.00 0.00 56.30 56.58 1j89 h ASN 29 Cb 0.00 0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.08 1j89 h ASN 29 CO 0.00 0.41 0.00 0.59 -1.29 0.00 0.00 177.43 177.14 1j89 n ASN 30 N -4.90 0.00 -4.34 1.15 5.03 -1.26 -5.09 115.26 105.85 1j89 n ASN 30 Ca -0.08 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.02 1j89 n ASN 30 Cb 0.27 0.00 -0.14 0.00 -1.02 0.00 0.00 39.78 38.89 1j89 n ASN 30 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1j89 s PHE 31 N -0.98 2.92 0.41 3.10 0.40 -1.26 -5.11 117.98 117.46 1j89 s PHE 31 Ca 0.00 -0.81 0.07 0.00 -0.60 0.00 0.00 56.93 55.59 1j89 s PHE 31 Cb 0.00 -2.01 -0.08 0.00 0.51 0.00 0.00 43.02 41.44 1j89 s PHE 31 CO 0.00 -0.40 0.02 0.12 0.70 0.00 0.00 175.22 175.65 1j89 s PHE 32 N 1.02 2.50 -0.00 0.36 5.36 -1.26 -5.07 117.98 120.89 1j89 s PHE 32 Ca -0.00 -0.68 -0.03 0.00 -0.96 0.00 0.00 56.93 55.26 1j89 s PHE 32 Cb -0.15 -1.78 -0.02 0.00 -0.34 0.00 0.00 43.02 40.74 1j89 s PHE 32 CO -0.00 0.43 -0.06 -1.91 -1.46 0.00 0.00 175.22 172.22 1j89 n GLU 33 N -0.99 0.10 -1.56 10.12 4.07 -1.26 -5.08 120.64 126.05 1j89 n GLU 33 Ca -0.05 0.04 -0.38 0.00 -0.06 0.00 0.00 57.16 56.71 1j89 n GLU 33 Cb 0.67 -0.67 0.05 0.00 -0.06 0.00 0.00 31.44 31.42 1j89 n GLU 33 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1j89 n VAL 34 N -3.43 3.14 0.49 6.31 0.31 -1.26 -4.94 118.33 118.95 1j89 n VAL 34 Ca -0.06 -0.50 0.06 0.00 -0.01 0.00 0.00 64.34 63.82 1j89 n VAL 34 Cb 0.34 -0.96 0.03 0.00 -0.91 0.00 0.00 33.84 32.34 1j89 n VAL 34 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1j89 n SER 35 N -0.27 1.72 -4.27 4.52 3.41 -1.26 -4.66 113.62 112.81 1j89 n SER 35 Ca 0.13 -1.36 -0.44 0.00 -0.26 0.00 0.00 58.87 56.94 1j89 n SER 35 Cb 0.47 0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 64.56 1j89 n SER 35 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1j89 s SER 36 N -1.15 6.40 -0.02 4.04 1.04 -1.26 -4.29 113.70 118.47 1j89 s SER 36 Ca 0.12 -2.78 0.06 0.00 0.48 0.00 0.00 55.95 53.82 1j89 s SER 36 Cb 0.09 -2.12 -0.01 0.00 0.10 0.00 0.00 66.02 64.08 1j89 s SER 36 CO 0.19 -0.51 -0.19 -0.89 0.98 0.00 0.00 173.24 172.82 1j89 s THR 37 N 0.03 1.56 -0.04 2.02 2.01 -0.77 -4.37 115.64 116.08 1j89 s THR 37 Ca 0.18 -0.83 -0.00 0.00 0.31 0.00 0.00 61.69 61.35 1j89 s THR 37 Cb -0.12 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 1j89 s THR 37 CO -0.08 0.44 0.02 -0.54 -0.69 0.00 0.00 174.62 173.77 1j89 s LYS 38 N -0.33 2.93 -0.04 4.92 1.02 -0.77 -4.36 119.74 123.11 1j89 s LYS 38 Ca 0.04 -0.49 0.03 0.00 0.02 0.00 0.00 55.97 55.57 1j89 s LYS 38 Cb -0.09 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 1j89 s LYS 38 CO 0.00 0.67 -0.13 -1.58 -0.92 0.00 0.00 175.35 173.39 1j89 s TRP 39 N -1.02 1.40 -0.60 3.18 0.23 -1.24 -2.96 118.94 117.93 1j89 s TRP 39 Ca 0.17 -0.43 0.05 0.00 -2.03 0.00 0.00 56.10 53.87 1j89 s TRP 39 Cb -0.12 -0.98 0.19 0.00 0.03 0.00 0.00 33.47 32.60 1j89 s TRP 39 CO 0.07 -0.18 0.51 1.19 0.96 0.00 0.00 176.95 179.50 1j89 n PHE 40 N 3.41 2.04 -1.85 -1.98 3.01 -0.49 -0.28 117.46 121.32 1j89 n PHE 40 Ca -0.20 -3.98 -0.39 0.00 1.01 0.00 0.00 57.45 53.89 1j89 n PHE 40 Cb 0.53 -0.38 -0.03 0.00 -0.01 0.00 0.00 39.48 39.59 1j89 n PHE 40 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1j89 s HIS 41 N -1.29 1.47 -0.91 1.38 2.46 -1.02 -1.68 115.29 115.69 1j89 s HIS 41 Ca 0.31 0.98 0.00 0.00 0.47 0.00 0.00 55.06 56.82 1j89 s HIS 41 Cb 0.03 -3.93 0.00 0.00 -0.13 0.00 0.00 32.58 28.56 1j89 s HIS 41 CO -0.14 -2.64 0.00 0.09 -2.47 0.00 0.00 174.74 169.58 1j89 n ASN 42 N 13.18 -3.78 0.00 9.88 4.13 0.98 -3.10 115.26 136.56 1j89 n ASN 42 Ca 0.27 0.14 0.00 0.00 1.68 0.00 0.00 54.58 56.67 1j89 n ASN 42 Cb 0.51 -2.43 0.00 0.00 -1.54 0.00 0.00 39.78 36.33 1j89 n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1j89 n GLY 43 N -1.56 2.74 3.68 7.41 0.00 -0.68 -5.02 105.19 111.77 1j89 n GLY 43 Ca -0.10 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 1j89 n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j89 n SER 44 N 1.54 4.05 -4.53 1.61 7.64 -1.18 -4.76 113.62 117.98 1j89 n SER 44 Ca 0.00 0.96 -0.37 0.00 1.01 0.00 0.00 58.87 60.46 1j89 n SER 44 Cb 0.00 -1.53 0.05 0.00 -1.01 0.00 0.00 64.21 61.72 1j89 n SER 44 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1j89 n LEU 45 N 6.29 2.11 -4.88 -3.43 7.94 -1.26 -2.44 117.00 121.33 1j89 n LEU 45 Ca 0.19 0.73 -0.21 0.00 -1.11 0.00 0.00 56.01 55.62 1j89 n LEU 45 Cb 0.38 -1.28 -0.03 0.00 0.53 0.00 0.00 43.42 43.02 1j89 n LEU 45 CO 0.67 -2.55 -0.01 -0.55 -1.11 0.00 0.00 177.39 173.84 1j89 s SER 46 N -1.28 5.11 0.07 1.96 0.15 0.62 -4.81 113.70 115.51 1j89 s SER 46 Ca 0.72 -0.70 0.25 0.00 0.70 0.00 0.00 55.95 56.92 1j89 s SER 46 Cb -0.41 -0.64 0.43 0.00 -1.71 0.00 0.00 66.02 63.69 1j89 s SER 46 CO 0.51 -0.61 1.37 -0.62 1.20 0.00 0.00 173.24 175.10 1j89 n GLU 47 N -1.53 0.18 -2.55 5.44 1.02 -1.26 -4.79 120.64 117.15 1j89 n GLU 47 Ca 0.03 0.05 -0.30 0.00 -0.02 0.00 0.00 57.16 56.92 1j89 n GLU 47 Cb 0.61 -1.61 -0.02 0.00 -0.02 0.00 0.00 31.44 30.40 1j89 n GLU 47 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1j89 s GLU 48 N -3.10 3.74 0.00 3.49 2.56 -1.26 -4.97 118.70 119.16 1j89 s GLU 48 Ca 0.08 0.57 0.00 0.00 0.00 0.00 0.00 54.97 55.62 1j89 s GLU 48 Cb 0.15 -2.28 0.00 0.00 2.00 0.00 0.00 34.13 34.00 1j89 s GLU 48 CO 0.71 -0.21 0.00 0.25 -0.56 0.00 0.00 175.26 175.45 1j89 n THR 49 N -1.77 0.00 -1.41 -1.70 -2.24 -1.26 -4.62 114.28 101.28 1j89 n THR 49 Ca 0.04 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.46 1j89 n THR 49 Cb 0.54 -0.37 0.08 0.00 -2.10 0.00 0.00 70.33 68.49 1j89 n THR 49 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1j89 n ASN 50 N -1.21 0.70 0.20 3.42 2.85 -1.26 -1.84 115.26 118.11 1j89 n ASN 50 Ca 0.00 0.69 0.14 0.00 -0.11 0.00 0.00 54.58 55.30 1j89 n ASN 50 Cb 0.21 -1.43 0.61 0.00 1.24 0.00 0.00 39.78 40.42 1j89 n ASN 50 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1j89 h SER 51 N -0.14 0.00 -3.48 1.20 4.64 -1.89 -3.40 113.55 110.48 1j89 h SER 51 Ca -0.48 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.13 1j89 h SER 51 Cb 1.34 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.13 1j89 h SER 51 CO 0.48 0.00 -0.50 -0.44 -0.87 0.00 0.00 176.83 175.50 1j89 s SER 52 N -4.76 5.53 -0.48 4.97 0.01 -1.26 -1.59 113.70 116.11 1j89 s SER 52 Ca 0.02 -1.55 -0.19 0.00 1.31 0.00 0.00 55.95 55.54 1j89 s SER 52 Cb 0.09 -1.94 0.05 0.00 0.21 0.00 0.00 66.02 64.43 1j89 s SER 52 CO 0.42 -0.52 0.58 -0.22 0.41 0.00 0.00 173.24 173.92 1j89 s LEU 53 N 1.37 4.94 0.51 2.44 2.96 -0.19 -4.93 118.68 125.78 1j89 s LEU 53 Ca 0.03 -0.84 -0.11 0.00 -0.22 0.00 0.00 54.13 52.99 1j89 s LEU 53 Cb -0.23 -2.45 -0.06 0.00 0.50 0.00 0.00 46.19 43.96 1j89 s LEU 53 CO 0.01 -0.81 0.90 0.20 -1.32 0.00 0.00 176.35 175.33 1j89 s ASN 54 N 2.46 6.42 -0.15 3.68 0.01 -1.26 -1.32 114.94 124.77 1j89 s ASN 54 Ca 0.15 1.28 -0.02 0.00 -0.71 0.00 0.00 52.86 53.56 1j89 s ASN 54 Cb -0.19 -2.40 0.05 0.00 0.41 0.00 0.00 41.25 39.12 1j89 s ASN 54 CO 0.13 -0.61 0.00 -0.63 -1.51 0.00 0.00 177.10 174.48 1j89 s ILE 55 N -2.73 0.63 0.00 0.60 1.01 -0.24 -4.95 121.20 115.52 1j89 s ILE 55 Ca 0.53 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.80 1j89 s ILE 55 Cb -0.10 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.41 1j89 s ILE 55 CO 0.40 0.01 0.00 0.52 0.00 0.00 0.00 174.94 175.87 1j89 n VAL 56 N 5.03 0.00 0.00 2.92 0.31 -1.26 -1.70 118.33 123.63 1j89 n VAL 56 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1j89 n VAL 56 Cb 0.48 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 1j89 n VAL 56 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1j89 n ASN 57 N -0.67 0.00 -4.48 4.52 3.02 -1.25 -4.58 115.26 111.82 1j89 n ASN 57 Ca 0.00 0.00 -0.46 0.00 -0.03 0.00 0.00 54.58 54.09 1j89 n ASN 57 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 1j89 n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j89 n ALA 58 N 0.00 0.97 -2.83 5.41 0.00 -0.93 -4.59 120.51 118.54 1j89 n ALA 58 Ca 0.00 -0.25 -0.36 0.00 0.00 0.00 0.00 53.44 52.83 1j89 n ALA 58 Cb 0.00 -2.65 -0.07 0.00 0.00 0.00 0.00 19.45 16.73 1j89 n ALA 58 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1j89 s LYS 59 N 6.95 3.32 0.48 0.00 1.02 -1.26 -0.66 119.74 129.59 1j89 s LYS 59 Ca 1.10 -0.22 0.38 0.00 0.02 0.00 0.00 55.97 57.25 1j89 s LYS 59 Cb -0.76 -3.08 1.57 0.00 -0.52 0.00 0.00 37.83 35.04 1j89 s LYS 59 CO 0.44 0.75 1.59 0.74 -0.92 0.00 0.00 175.35 177.95 1j89 h PHE 60 N 4.90 0.34 0.00 3.18 0.05 -1.93 1.09 116.94 124.56 1j89 h PHE 60 Ca -0.53 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.25 1j89 h PHE 60 Cb 1.22 -0.08 -0.00 0.00 2.00 0.00 0.00 35.95 39.08 1j89 h PHE 60 CO 0.72 -0.18 -0.11 0.93 -0.18 0.00 0.00 178.31 179.49 1j89 h GLU 61 N 0.01 0.00 0.00 1.51 3.07 -1.99 -1.59 114.58 115.59 1j89 h GLU 61 Ca 0.89 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.72 1j89 h GLU 61 Cb 3.11 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 31.01 1j89 h GLU 61 CO -0.31 0.11 -0.14 -0.44 -1.40 0.00 0.00 179.01 176.82 1j89 h ASP 62 N 0.00 0.00 -2.55 1.42 3.32 0.86 -3.43 116.42 116.04 1j89 h ASP 62 Ca -0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1j89 h ASP 62 Cb 0.29 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.88 1j89 h ASP 62 CO 0.01 0.14 1.10 -0.44 -1.72 0.00 0.00 179.24 178.34 1j89 s SER 63 N -6.05 6.45 0.00 6.45 0.01 -0.60 -4.85 113.70 115.11 1j89 s SER 63 Ca -0.01 2.72 0.00 0.00 1.31 0.00 0.00 55.95 59.97 1j89 s SER 63 Cb 0.11 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1j89 s SER 63 CO 0.59 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.86 1j89 n GLY 64 N 4.21 -0.74 3.49 3.44 0.00 0.12 -4.93 105.19 110.77 1j89 n GLY 64 Ca 0.17 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 1j89 n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j89 s GLU 65 N -1.04 3.71 0.39 1.61 2.12 -1.26 0.11 118.70 124.35 1j89 s GLU 65 Ca 0.00 -0.46 0.08 0.00 0.36 0.00 0.00 54.97 54.95 1j89 s GLU 65 Cb 0.00 -3.23 -0.07 0.00 0.26 0.00 0.00 34.13 31.08 1j89 s GLU 65 CO 0.00 -0.04 -0.02 0.71 -0.54 0.00 0.00 175.26 175.38 1j89 s TYR 66 N 1.18 2.49 -0.17 5.30 1.51 0.16 -0.01 117.35 127.81 1j89 s TYR 66 Ca 0.04 -0.61 -0.31 0.00 -1.01 0.00 0.00 57.07 55.18 1j89 s TYR 66 Cb -0.14 -1.66 0.14 0.00 -0.11 0.00 0.00 41.96 40.18 1j89 s TYR 66 CO 0.03 0.48 1.11 -1.59 -1.11 0.00 0.00 175.55 174.47 1j89 s LYS 67 N -3.69 0.44 0.06 -0.62 -2.85 -1.26 -1.44 119.74 110.39 1j89 s LYS 67 Ca 0.34 -0.02 0.05 0.00 -1.00 0.00 0.00 55.97 55.34 1j89 s LYS 67 Cb 0.07 0.21 -0.03 0.00 -2.06 0.00 0.00 37.83 36.03 1j89 s LYS 67 CO 0.18 -0.16 -0.13 0.00 0.10 0.00 0.00 175.35 175.33 1j89 s GLN 69 N -1.59 0.51 0.00 0.00 0.74 -1.15 -0.77 119.66 117.40 1j89 s GLN 69 Ca -0.03 -0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.24 1j89 s GLN 69 Cb -0.10 0.22 0.00 0.00 1.10 0.00 0.00 33.01 34.24 1j89 s GLN 69 CO 0.02 -0.12 0.00 0.72 -0.55 0.00 0.00 175.29 175.35 1j89 n HIS 70 N 1.74 -2.95 -0.05 1.67 8.25 -1.26 -1.85 115.22 120.76 1j89 n HIS 70 Ca -0.20 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.18 1j89 n HIS 70 Cb 0.56 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.65 1j89 n HIS 70 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1j89 h GLN 71 N 0.00 0.02 -1.76 -0.41 5.75 -2.02 -3.28 115.11 113.41 1j89 h GLN 71 Ca 0.00 -0.00 -0.50 0.00 -0.15 0.00 0.00 58.65 58.00 1j89 h GLN 71 Cb 0.00 -0.00 -0.41 0.00 1.07 0.00 0.00 27.48 28.14 1j89 h GLN 71 CO 0.00 0.01 -0.98 0.94 -2.65 0.00 0.00 178.83 176.15 1j89 n GLN 72 N -5.20 2.00 -3.95 1.69 7.27 -1.26 -5.06 117.38 112.88 1j89 n GLN 72 Ca -0.02 -3.91 -0.11 0.00 0.07 0.00 0.00 57.00 53.03 1j89 n GLN 72 Cb 0.13 -1.82 -0.13 0.00 2.41 0.00 0.00 30.24 30.84 1j89 n GLN 72 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1j89 s VAL 73 N -3.63 0.10 0.00 1.69 1.01 -1.24 -5.02 120.40 113.31 1j89 s VAL 73 Ca 0.41 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 1j89 s VAL 73 Cb 0.37 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.54 1j89 s VAL 73 CO -0.09 -0.24 1.08 0.20 0.00 0.00 0.00 175.10 176.06 1j89 s ASN 74 N -0.74 7.22 0.20 3.32 0.01 -1.26 -4.07 114.94 119.62 1j89 s ASN 74 Ca -0.08 1.78 -0.28 0.00 -0.71 0.00 0.00 52.86 53.57 1j89 s ASN 74 Cb -0.05 -2.57 -0.17 0.00 0.41 0.00 0.00 41.25 38.87 1j89 s ASN 74 CO -0.00 -0.39 0.56 -1.84 -1.51 0.00 0.00 177.10 173.92 1j89 n GLU 75 N 4.20 0.10 -1.04 -0.60 0.28 -1.26 -4.37 120.64 117.95 1j89 n GLU 75 Ca 0.08 0.03 -0.31 0.00 -0.16 0.00 0.00 57.16 56.80 1j89 n GLU 75 Cb 0.49 -1.07 0.12 0.00 1.43 0.00 0.00 31.44 32.41 1j89 n GLU 75 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1j89 s SER 76 N -0.95 3.88 -0.20 -1.84 1.04 0.05 -4.88 113.70 110.81 1j89 s SER 76 Ca 0.64 1.96 -0.29 0.00 0.48 0.00 0.00 55.95 58.74 1j89 s SER 76 Cb -0.92 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 62.63 1j89 s SER 76 CO 0.56 -2.46 1.80 -1.61 0.98 0.00 0.00 173.24 172.52 1j89 s GLU 77 N -4.81 3.66 0.88 4.02 0.41 -1.26 -4.66 118.70 116.94 1j89 s GLU 77 Ca 0.63 1.84 -0.17 0.00 -0.41 0.00 0.00 54.97 56.86 1j89 s GLU 77 Cb -0.19 -4.14 -0.12 0.00 -1.78 0.00 0.00 34.13 27.89 1j89 s GLU 77 CO 0.57 -1.47 -0.47 -2.30 -0.49 0.00 0.00 175.26 171.10 1j89 n PRO 78 N 7.95 -0.01 -4.22 0.39 -0.02 -1.26 -4.76 135.00 133.08 1j89 n PRO 78 Ca 0.22 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.53 1j89 n PRO 78 Cb 0.45 -1.14 -0.14 0.00 -0.02 0.00 0.00 33.50 32.65 1j89 n PRO 78 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1j89 s VAL 79 N -2.04 0.58 -0.13 -1.45 1.01 -0.52 -4.91 120.40 112.94 1j89 s VAL 79 Ca 0.47 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 1j89 s VAL 79 Cb -0.25 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1j89 s VAL 79 CO 0.77 0.05 0.04 -0.47 0.00 0.00 0.00 175.10 175.49 1j89 s TYR 80 N -0.41 3.25 -0.11 5.22 5.04 -1.26 -0.66 117.35 128.42 1j89 s TYR 80 Ca 0.01 0.16 0.02 0.00 -2.44 0.00 0.00 57.07 54.81 1j89 s TYR 80 Cb -0.04 -1.92 -0.01 0.00 0.35 0.00 0.00 41.96 40.34 1j89 s TYR 80 CO -0.00 0.37 -0.17 -1.17 -1.34 0.00 0.00 175.55 173.24 1j89 s LEU 81 N -0.41 2.52 -0.05 6.97 2.96 0.31 -4.91 118.68 126.07 1j89 s LEU 81 Ca 0.09 -0.39 0.06 0.00 -0.22 0.00 0.00 54.13 53.67 1j89 s LEU 81 Cb -0.12 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 1j89 s LEU 81 CO 0.02 0.18 -0.25 -0.70 -1.32 0.00 0.00 176.35 174.28 1j89 s GLU 82 N 0.24 2.48 -0.06 1.98 2.12 -1.10 0.11 118.70 124.47 1j89 s GLU 82 Ca -0.11 -0.90 0.03 0.00 0.36 0.00 0.00 54.97 54.35 1j89 s GLU 82 Cb -0.16 -2.16 -0.03 0.00 0.26 0.00 0.00 34.13 32.05 1j89 s GLU 82 CO 0.06 0.42 -0.12 0.08 -0.54 0.00 0.00 175.26 175.16 1j89 s VAL 83 N -0.26 3.23 0.17 3.70 1.01 -1.25 -0.39 120.40 126.61 1j89 s VAL 83 Ca -0.01 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.37 1j89 s VAL 83 Cb -0.13 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 1j89 s VAL 83 CO 0.03 0.59 -0.11 -0.36 0.00 0.00 0.00 175.10 175.25 1j89 s PHE 84 N -0.71 1.41 -0.16 5.22 0.40 0.21 -4.93 117.98 119.41 1j89 s PHE 84 Ca 0.11 -0.71 -0.01 0.00 -0.60 0.00 0.00 56.93 55.72 1j89 s PHE 84 Cb -0.11 -0.70 0.05 0.00 0.51 0.00 0.00 43.02 42.77 1j89 s PHE 84 CO 0.01 0.16 -0.02 0.45 0.70 0.00 0.00 175.22 176.52 1j89 s SER 85 N -3.22 2.68 -0.13 1.36 0.15 -1.26 -1.26 113.70 112.02 1j89 s SER 85 Ca 0.19 -0.63 -0.34 0.00 0.70 0.00 0.00 55.95 55.87 1j89 s SER 85 Cb 0.02 -0.75 0.14 0.00 -1.71 0.00 0.00 66.02 63.72 1j89 s SER 85 CO 0.03 -0.22 1.35 -0.62 1.20 0.00 0.00 173.24 174.98 1j89 s ASP 86 N 1.75 -0.04 0.02 5.45 -1.08 -1.26 -5.06 116.67 116.45 1j89 s ASP 86 Ca 0.01 -0.04 -0.25 0.00 -0.52 0.00 0.00 52.55 51.74 1j89 s ASP 86 Cb -0.15 0.07 -0.18 0.00 -1.46 0.00 0.00 42.92 41.20 1j89 s ASP 86 CO -0.07 -0.13 1.41 -0.50 0.52 0.00 0.00 175.17 176.40 1j89 h TRP 87 N 2.00 -0.17 -4.33 -5.34 6.55 -1.95 -3.42 115.95 109.29 1j89 h TRP 87 Ca -0.23 -0.00 -0.56 0.00 0.95 0.00 0.00 58.89 59.05 1j89 h TRP 87 Cb 1.18 0.06 -0.29 0.00 -0.86 0.00 0.00 29.16 29.24 1j89 h TRP 87 CO 0.30 0.12 -0.84 -0.51 -1.05 0.00 0.00 178.44 176.46 1j89 s LEU 88 N -9.63 2.05 -0.06 -4.49 1.43 -1.26 -1.09 118.68 105.62 1j89 s LEU 88 Ca -0.15 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1j89 s LEU 88 Cb 0.03 -0.94 0.01 0.00 0.03 0.00 0.00 46.19 45.32 1j89 s LEU 88 CO 0.62 0.22 -0.13 -0.22 0.23 0.00 0.00 176.35 177.08 1j89 s LEU 89 N -0.49 1.71 -0.41 1.79 2.96 0.84 -4.29 118.68 120.79 1j89 s LEU 89 Ca 0.07 -0.29 -0.22 0.00 -0.22 0.00 0.00 54.13 53.47 1j89 s LEU 89 Cb -0.07 -0.81 0.02 0.00 0.50 0.00 0.00 46.19 45.82 1j89 s LEU 89 CO -0.01 0.06 0.71 -0.22 -1.32 0.00 0.00 176.35 175.58 1j89 s LEU 90 N 0.50 4.29 -0.14 -0.68 2.96 -1.26 -0.91 118.68 123.44 1j89 s LEU 90 Ca -0.11 -0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 53.69 1j89 s LEU 90 Cb -0.14 -2.87 -0.04 0.00 0.50 0.00 0.00 46.19 43.63 1j89 s LEU 90 CO 0.03 -0.77 0.13 -1.10 -1.32 0.00 0.00 176.35 173.32 1j89 s GLN 91 N 3.00 3.63 0.02 1.98 -0.21 0.27 -4.92 119.66 123.44 1j89 s GLN 91 Ca 0.27 -0.16 0.07 0.00 0.02 0.00 0.00 55.36 55.56 1j89 s GLN 91 Cb -0.13 -3.24 -0.02 0.00 1.00 0.00 0.00 33.01 30.61 1j89 s GLN 91 CO 0.19 0.65 -0.22 0.00 -2.12 0.00 0.00 175.29 173.79 1j89 s ALA 92 N -0.65 1.86 0.07 6.09 0.00 -1.26 0.26 121.76 128.13 1j89 s ALA 92 Ca 0.13 -1.04 -0.28 0.00 0.00 0.00 0.00 51.96 50.76 1j89 s ALA 92 Cb -0.12 -0.41 -0.14 0.00 0.00 0.00 0.00 23.12 22.46 1j89 s ALA 92 CO 0.02 0.44 1.44 0.66 0.00 0.00 0.00 175.76 178.32 1j89 h SER 93 N 5.15 -1.13 -4.48 0.00 4.64 -1.48 -3.39 113.55 112.87 1j89 h SER 93 Ca -0.42 0.09 -0.33 0.00 -0.47 0.00 0.00 61.79 60.66 1j89 h SER 93 Cb 1.15 0.38 -0.19 0.00 -0.31 0.00 0.00 62.40 63.42 1j89 h SER 93 CO 0.45 -0.53 -0.74 0.00 -0.87 0.00 0.00 176.83 175.15 1j89 s ALA 94 N -5.31 1.02 -0.14 5.18 0.00 -1.26 -4.65 121.76 116.60 1j89 s ALA 94 Ca -0.14 -1.07 0.19 0.00 0.00 0.00 0.00 51.96 50.95 1j89 s ALA 94 Cb 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 23.12 23.00 1j89 s ALA 94 CO 0.48 0.01 0.72 0.39 0.00 0.00 0.00 175.76 177.36 1j89 n GLU 95 N 0.89 0.63 -4.79 0.00 1.02 -1.26 -4.87 120.64 112.26 1j89 n GLU 95 Ca -0.18 0.08 -0.28 0.00 -0.02 0.00 0.00 57.16 56.76 1j89 n GLU 95 Cb 0.56 -1.72 -0.17 0.00 -0.02 0.00 0.00 31.44 30.10 1j89 n GLU 95 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1j89 s VAL 96 N -3.11 1.49 0.07 2.62 1.01 -1.26 -1.54 120.40 119.68 1j89 s VAL 96 Ca -0.04 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1j89 s VAL 96 Cb 0.10 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 1j89 s VAL 96 CO 0.83 0.43 -0.09 -0.69 0.00 0.00 0.00 175.10 175.58 1j89 s VAL 97 N 0.58 0.75 -0.11 2.92 1.01 0.95 -4.99 120.40 121.52 1j89 s VAL 97 Ca -0.15 -1.33 -0.25 0.00 0.00 0.00 0.00 61.98 60.25 1j89 s VAL 97 Cb -0.16 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 1j89 s VAL 97 CO 0.05 -0.44 0.78 -0.04 0.00 0.00 0.00 175.10 175.45 1j89 s MET 98 N -2.10 4.38 -0.21 2.72 -1.94 -1.26 0.25 119.30 121.14 1j89 s MET 98 Ca -0.03 0.97 -0.43 0.00 -1.71 0.00 0.00 55.69 54.50 1j89 s MET 98 Cb -0.07 -3.50 -0.19 0.00 2.01 0.00 0.00 34.83 33.07 1j89 s MET 98 CO 0.00 -0.12 1.35 -1.91 -0.01 0.00 0.00 175.02 174.34 1j89 n GLU 99 N 4.42 0.17 0.00 2.03 2.13 0.46 -1.19 120.64 128.66 1j89 n GLU 99 Ca 0.02 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.90 1j89 n GLU 99 Cb 0.50 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.63 1j89 n GLU 99 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1j89 n GLY 100 N 2.78 2.63 3.71 8.31 0.00 0.16 -4.91 105.19 117.87 1j89 n GLY 100 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 1j89 n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j89 s GLN 101 N -0.37 -0.16 0.27 1.61 -1.52 -0.33 -3.48 119.66 115.68 1j89 s GLN 101 Ca 0.00 0.02 -0.11 0.00 -1.95 0.00 0.00 55.36 53.32 1j89 s GLN 101 Cb 0.00 -1.71 -0.07 0.00 -0.22 0.00 0.00 33.01 31.00 1j89 s GLN 101 CO 0.00 -3.02 0.62 -1.25 -0.25 0.00 0.00 175.29 171.38 1j89 s PRO 102 N -5.41 3.84 -0.05 2.91 0.04 -0.98 -1.48 135.00 133.86 1j89 s PRO 102 Ca 0.69 0.37 -0.01 0.00 0.04 0.00 0.00 61.00 62.10 1j89 s PRO 102 Cb -0.11 -2.57 0.03 0.00 0.04 0.00 0.00 34.50 31.89 1j89 s PRO 102 CO 0.55 0.24 0.01 -1.17 0.04 0.00 0.00 177.00 176.67 1j89 s LEU 103 N -3.00 0.73 -0.12 -3.56 2.96 0.37 -4.91 118.68 111.15 1j89 s LEU 103 Ca 0.49 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 1j89 s LEU 103 Cb -0.11 -0.29 0.02 0.00 0.50 0.00 0.00 46.19 46.31 1j89 s LEU 103 CO 0.22 -0.17 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.57 1j89 s PHE 104 N 1.62 2.01 0.09 5.38 0.40 -1.26 0.31 117.98 126.53 1j89 s PHE 104 Ca -0.01 -1.01 0.06 0.00 -0.60 0.00 0.00 56.93 55.36 1j89 s PHE 104 Cb -0.13 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.89 1j89 s PHE 104 CO -0.03 -0.54 -0.05 -0.51 0.70 0.00 0.00 175.22 174.79 1j89 s LEU 105 N 1.18 3.26 -0.05 -0.37 1.43 -0.66 -1.20 118.68 122.27 1j89 s LEU 105 Ca -0.02 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.79 1j89 s LEU 105 Cb -0.14 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.10 1j89 s LEU 105 CO -0.05 0.18 0.10 -0.60 0.23 0.00 0.00 176.35 176.21 1j89 s ARG 106 N -2.21 0.04 -0.57 1.70 3.52 0.14 -3.03 118.95 118.53 1j89 s ARG 106 Ca 0.23 0.29 -0.22 0.00 -0.13 0.00 0.00 55.73 55.91 1j89 s ARG 106 Cb -0.11 -0.21 0.06 0.00 -1.56 0.00 0.00 34.95 33.13 1j89 s ARG 106 CO 0.16 -0.17 0.85 0.00 -0.81 0.00 0.00 175.30 175.33 1j89 s HIS 108 N 3.54 3.35 0.65 0.00 2.46 -0.09 -4.96 115.29 120.23 1j89 s HIS 108 Ca 0.23 0.48 -0.07 0.00 0.47 0.00 0.00 55.06 56.17 1j89 s HIS 108 Cb -0.16 -2.45 0.03 0.00 -0.13 0.00 0.00 32.58 29.87 1j89 s HIS 108 CO 0.14 0.00 0.97 0.20 -2.47 0.00 0.00 174.74 173.58 1j89 s GLY 109 N 1.08 1.64 0.38 1.59 0.00 -1.26 -0.11 107.32 110.64 1j89 s GLY 109 Ca 0.15 -0.75 -0.17 0.00 0.00 0.00 0.00 44.72 43.95 1j89 s GLY 109 CO 0.07 -0.41 0.83 0.86 0.00 0.00 0.00 173.10 174.45 1j89 s TRP 110 N -3.15 3.36 -1.03 1.90 -0.11 -0.25 -3.71 118.94 115.95 1j89 s TRP 110 Ca 0.57 1.37 -0.01 0.00 1.22 0.00 0.00 56.10 59.25 1j89 s TRP 110 Cb -0.11 -2.66 0.01 0.00 -1.50 0.00 0.00 33.47 29.21 1j89 s TRP 110 CO 0.46 -0.02 0.05 0.54 -4.62 0.00 0.00 176.95 173.36 1j89 n ARG 111 N -0.58 -2.41 -2.51 5.86 1.74 -1.26 -0.46 116.66 117.04 1j89 n ARG 111 Ca 0.05 0.56 -0.12 0.00 -0.77 0.00 0.00 57.85 57.58 1j89 n ARG 111 Cb 0.54 -5.17 -0.00 0.00 -1.02 0.00 0.00 32.46 26.80 1j89 n ARG 111 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1j89 n ASN 112 N -1.84 -3.59 -2.76 0.55 2.85 -1.24 -4.94 115.26 104.28 1j89 n ASN 112 Ca -0.13 0.19 0.00 0.00 -0.11 0.00 0.00 54.58 54.53 1j89 n ASN 112 Cb 0.60 -3.06 0.00 0.00 1.24 0.00 0.00 39.78 38.56 1j89 n ASN 112 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1j89 n TRP 113 N -3.34 -2.48 -4.59 1.20 8.01 0.39 -5.01 117.44 111.62 1j89 n TRP 113 Ca -0.12 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.73 1j89 n TRP 113 Cb 0.59 0.00 -0.13 0.00 -2.01 0.00 0.00 31.31 29.77 1j89 n TRP 113 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1j89 s ASP 114 N -1.64 4.51 -0.03 -0.99 1.01 -1.26 -4.76 116.67 113.50 1j89 s ASP 114 Ca 0.00 -0.16 0.03 0.00 0.71 0.00 0.00 52.55 53.13 1j89 s ASP 114 Cb 0.00 -1.53 -0.03 0.00 1.01 0.00 0.00 42.92 42.37 1j89 s ASP 114 CO 0.00 0.23 -0.11 -0.69 0.21 0.00 0.00 175.17 174.81 1j89 s VAL 115 N 0.00 3.35 0.39 -1.27 1.01 -1.26 -4.43 120.40 118.19 1j89 s VAL 115 Ca -0.01 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.31 1j89 s VAL 115 Cb -0.14 -2.37 -0.07 0.00 0.00 0.00 0.00 36.38 33.81 1j89 s VAL 115 CO 0.03 0.53 0.03 -0.31 0.00 0.00 0.00 175.10 175.38 1j89 s TYR 116 N -0.83 2.26 -1.37 5.22 1.51 -0.56 -2.89 117.35 120.70 1j89 s TYR 116 Ca 0.13 -0.81 -0.04 0.00 -1.01 0.00 0.00 57.07 55.35 1j89 s TYR 116 Cb -0.11 -1.58 0.00 0.00 -0.11 0.00 0.00 41.96 40.17 1j89 s TYR 116 CO 0.03 0.26 0.46 1.63 -1.11 0.00 0.00 175.55 176.81 1j89 n LYS 117 N -0.89 -2.82 -2.89 -0.62 5.02 -0.64 -0.35 118.16 114.97 1j89 n LYS 117 Ca -0.05 0.39 -0.39 0.00 -2.02 0.00 0.00 58.31 56.24 1j89 n LYS 117 Cb 0.67 -4.37 -0.06 0.00 -0.02 0.00 0.00 35.03 31.25 1j89 n LYS 117 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1j89 s VAL 118 N -3.90 4.28 -0.05 -0.18 1.01 0.12 -4.35 120.40 117.33 1j89 s VAL 118 Ca 0.08 1.78 -0.02 0.00 0.00 0.00 0.00 61.98 63.82 1j89 s VAL 118 Cb -0.03 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.25 1j89 s VAL 118 CO 0.89 0.40 0.11 -0.63 0.00 0.00 0.00 175.10 175.87 1j89 s ILE 119 N -1.30 -0.05 0.07 2.22 1.01 -0.69 -0.96 121.20 121.50 1j89 s ILE 119 Ca 0.41 0.17 0.00 0.00 0.00 0.00 0.00 60.65 61.23 1j89 s ILE 119 Cb -0.22 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 1j89 s ILE 119 CO 0.27 0.07 0.22 -0.31 0.00 0.00 0.00 174.94 175.18 1j89 s TYR 120 N 0.99 3.52 -0.04 3.97 1.51 -1.03 -1.30 117.35 124.97 1j89 s TYR 120 Ca -0.08 0.24 0.02 0.00 -1.01 0.00 0.00 57.07 56.24 1j89 s TYR 120 Cb -0.10 -1.75 0.01 0.00 -0.11 0.00 0.00 41.96 40.00 1j89 s TYR 120 CO -0.04 0.58 -0.09 0.71 -1.11 0.00 0.00 175.55 175.60 1j89 s TYR 121 N -1.53 1.11 -0.20 2.71 1.51 0.69 -1.00 117.35 120.64 1j89 s TYR 121 Ca 0.35 -0.34 0.01 0.00 -1.01 0.00 0.00 57.07 56.08 1j89 s TYR 121 Cb -0.13 -0.83 0.04 0.00 -0.11 0.00 0.00 41.96 40.93 1j89 s TYR 121 CO 0.28 -0.18 -0.12 0.21 -1.11 0.00 0.00 175.55 174.62 1j89 s LYS 122 N 0.51 2.24 -1.23 -0.62 2.20 -1.03 -1.85 119.74 119.98 1j89 s LYS 122 Ca -0.09 -0.90 -0.00 0.00 -0.36 0.00 0.00 55.97 54.61 1j89 s LYS 122 Cb -0.13 -2.50 -0.00 0.00 -1.51 0.00 0.00 37.83 33.70 1j89 s LYS 122 CO 0.02 -0.40 0.92 -0.25 -0.36 0.00 0.00 175.35 175.27 1j89 n ASP 123 N 4.64 -1.83 0.00 1.43 8.00 -0.18 -2.61 116.55 126.00 1j89 n ASP 123 Ca -0.16 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.67 1j89 n ASP 123 Cb 0.47 -4.85 0.00 0.00 -0.02 0.00 0.00 41.12 36.72 1j89 n ASP 123 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j89 n GLY 124 N -1.25 1.60 3.85 0.44 0.00 -1.26 -4.99 105.19 103.58 1j89 n GLY 124 Ca -0.29 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 1j89 n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j89 s GLU 125 N -0.09 3.80 0.32 1.61 0.41 -1.07 -5.06 118.70 118.61 1j89 s GLU 125 Ca 0.00 0.26 -0.29 0.00 -0.41 0.00 0.00 54.97 54.53 1j89 s GLU 125 Cb 0.00 -3.12 -0.10 0.00 -1.78 0.00 0.00 34.13 29.13 1j89 s GLU 125 CO 0.00 0.64 1.25 0.00 -0.49 0.00 0.00 175.26 176.67 1j89 s ALA 126 N -1.21 3.47 0.07 5.21 0.00 -1.26 -2.45 121.76 125.58 1j89 s ALA 126 Ca 0.27 1.17 -0.00 0.00 0.00 0.00 0.00 51.96 53.39 1j89 s ALA 126 Cb -0.15 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.53 1j89 s ALA 126 CO 0.15 -0.52 -0.01 -0.11 0.00 0.00 0.00 175.76 175.27 1j89 n LEU 127 N 0.91 0.85 -4.22 0.00 7.94 -0.17 -4.87 117.00 117.44 1j89 n LEU 127 Ca -0.00 0.11 -0.13 0.00 -1.11 0.00 0.00 56.01 54.88 1j89 n LEU 127 Cb 0.43 -0.26 -0.10 0.00 0.53 0.00 0.00 43.42 44.01 1j89 n LEU 127 CO 0.58 -0.55 -0.36 -0.54 -1.11 0.00 0.00 177.39 175.42 1j89 s LYS 128 N -2.02 1.01 -0.16 1.96 -0.14 -1.24 -4.97 119.74 114.18 1j89 s LYS 128 Ca -0.01 -1.46 -0.15 0.00 -1.36 0.00 0.00 55.97 52.99 1j89 s LYS 128 Cb 0.00 -0.28 0.04 0.00 -1.68 0.00 0.00 37.83 35.92 1j89 s LYS 128 CO 0.01 -0.08 0.43 -0.47 -0.76 0.00 0.00 175.35 174.49 1j89 s TYR 129 N -3.62 -0.48 0.24 3.18 5.04 -1.26 -2.46 117.35 118.00 1j89 s TYR 129 Ca 0.19 1.16 -0.10 0.00 -2.44 0.00 0.00 57.07 55.88 1j89 s TYR 129 Cb 0.05 0.16 -0.01 0.00 0.35 0.00 0.00 41.96 42.52 1j89 s TYR 129 CO 0.01 -0.23 0.40 -1.58 -1.34 0.00 0.00 175.55 172.81 1j89 s TRP 130 N 0.24 0.55 0.00 4.97 0.52 -0.13 -5.00 118.94 120.08 1j89 s TRP 130 Ca -0.00 -0.87 0.00 0.00 0.02 0.00 0.00 56.10 55.24 1j89 s TRP 130 Cb -0.03 0.02 0.00 0.00 -1.15 0.00 0.00 33.47 32.31 1j89 s TRP 130 CO 0.00 -0.91 0.00 0.98 0.02 0.00 0.00 176.95 177.04 1j89 n TYR 131 N -0.36 0.00 -1.98 -1.98 9.36 -1.26 -0.70 117.16 120.25 1j89 n TYR 131 Ca -0.01 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.79 1j89 n TYR 131 Cb 0.63 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.31 1j89 n TYR 131 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1j89 s GLU 132 N 0.00 4.22 1.37 2.98 0.41 -1.26 -1.62 118.70 124.80 1j89 s GLU 132 Ca 0.00 2.29 -0.21 0.00 -0.41 0.00 0.00 54.97 56.64 1j89 s GLU 132 Cb 0.00 -3.43 0.35 0.00 -1.78 0.00 0.00 34.13 29.27 1j89 s GLU 132 CO 0.00 -0.66 0.96 0.54 -0.49 0.00 0.00 175.26 175.61 1j89 s ASN 133 N 1.86 -0.64 0.00 -0.19 4.22 -1.14 -4.96 114.94 114.09 1j89 s ASN 133 Ca 0.71 0.95 0.00 0.00 -2.14 0.00 0.00 52.86 52.38 1j89 s ASN 133 Cb -0.40 -1.38 0.00 0.00 1.28 0.00 0.00 41.25 40.75 1j89 s ASN 133 CO 0.31 -5.12 0.00 1.57 -2.04 0.00 0.00 177.10 171.83 1j89 n HIS 134 N -5.48 0.00 -3.56 1.54 -0.00 -1.26 -5.08 115.22 101.38 1j89 n HIS 134 Ca 0.11 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 58.01 1j89 n HIS 134 Cb 0.59 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 30.35 1j89 n HIS 134 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1j89 s ASN 135 N -0.10 2.77 -0.59 0.26 0.01 -1.26 -4.45 114.94 111.57 1j89 s ASN 135 Ca 0.00 -2.97 -0.38 0.00 -0.71 0.00 0.00 52.86 48.79 1j89 s ASN 135 Cb 0.00 -0.77 -0.18 0.00 0.41 0.00 0.00 41.25 40.71 1j89 s ASN 135 CO 0.00 -0.20 2.30 0.00 -1.51 0.00 0.00 177.10 177.69 1j89 n ILE 136 N 3.03 0.03 -4.09 0.60 3.06 -1.17 -4.73 119.36 116.10 1j89 n ILE 136 Ca 0.21 -0.09 -0.30 0.00 -2.50 0.00 0.00 62.75 60.07 1j89 n ILE 136 Cb 0.41 -0.84 -0.07 0.00 0.54 0.00 0.00 39.64 39.68 1j89 n ILE 136 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1j89 s SER 137 N 7.28 5.30 -0.04 9.51 0.15 -1.26 -1.65 113.70 132.99 1j89 s SER 137 Ca 1.21 -0.10 -0.02 0.00 0.70 0.00 0.00 55.95 57.74 1j89 s SER 137 Cb -1.25 -1.35 0.03 0.00 -1.71 0.00 0.00 66.02 61.74 1j89 s SER 137 CO 0.57 0.16 0.06 -0.63 1.20 0.00 0.00 173.24 174.59 1j89 s ILE 138 N -1.41 -0.11 0.00 6.45 1.01 0.15 -4.99 121.20 122.29 1j89 s ILE 138 Ca 0.28 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.32 1j89 s ILE 138 Cb -0.12 -0.15 0.00 0.00 0.01 0.00 0.00 42.46 42.21 1j89 s ILE 138 CO 0.21 0.16 0.00 0.35 0.00 0.00 0.00 174.94 175.66 1j89 n THR 139 N 5.12 0.00 -2.82 2.92 -2.24 -1.26 0.14 114.28 116.13 1j89 n THR 139 Ca -0.07 0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 1j89 n THR 139 Cb 0.50 -0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 68.36 1j89 n THR 139 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1j89 s ASN 140 N -1.39 6.77 -0.20 3.42 3.84 -1.26 -2.33 114.94 123.80 1j89 s ASN 140 Ca 0.00 0.82 -0.13 0.00 0.21 0.00 0.00 52.86 53.76 1j89 s ASN 140 Cb 0.00 -2.46 -0.05 0.00 -0.55 0.00 0.00 41.25 38.19 1j89 s ASN 140 CO 0.00 -0.72 0.28 0.00 -2.79 0.00 0.00 177.10 173.87 1j89 s ALA 141 N 3.22 3.59 0.39 1.71 0.00 -0.55 -4.89 121.76 125.24 1j89 s ALA 141 Ca 0.38 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.70 1j89 s ALA 141 Cb -0.13 -2.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 1j89 s ALA 141 CO 0.13 -0.12 0.62 0.99 0.00 0.00 0.00 175.76 177.39 1j89 s THR 142 N 0.92 4.98 -0.02 0.00 2.01 -1.26 0.40 115.64 122.67 1j89 s THR 142 Ca 0.14 -0.28 0.21 0.00 0.31 0.00 0.00 61.69 62.07 1j89 s THR 142 Cb -0.14 -3.84 0.18 0.00 0.01 0.00 0.00 72.50 68.72 1j89 s THR 142 CO 0.05 -0.63 1.67 1.62 -0.69 0.00 0.00 174.62 176.64 1j89 h VAL 143 N 0.58 0.62 0.00 3.82 3.04 -1.95 -2.70 116.25 119.66 1j89 h VAL 143 Ca -0.49 -1.50 0.00 0.00 -1.01 0.00 0.00 66.70 63.70 1j89 h VAL 143 Cb 1.22 2.02 0.00 0.00 -2.01 0.00 0.00 31.29 32.51 1j89 h VAL 143 CO 0.61 0.30 0.00 -0.62 -1.01 0.00 0.00 177.57 176.85 1j89 n GLU 144 N -3.31 0.09 0.17 4.17 4.71 -1.26 -1.90 120.64 123.32 1j89 n GLU 144 Ca 0.01 0.34 0.14 0.00 -0.01 0.00 0.00 57.16 57.64 1j89 n GLU 144 Cb 0.55 -1.68 0.49 0.00 -1.01 0.00 0.00 31.44 29.78 1j89 n GLU 144 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1j89 h ASP 145 N 0.00 0.00 -2.79 1.62 3.32 -1.88 -3.44 116.42 113.25 1j89 h ASP 145 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1j89 h ASP 145 Cb 0.29 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.88 1j89 h ASP 145 CO 0.00 0.00 0.91 -0.44 -1.72 0.00 0.00 179.24 177.99 1j89 s SER 146 N -4.90 6.61 0.00 6.45 0.01 -0.80 -4.91 113.70 116.17 1j89 s SER 146 Ca 0.05 2.54 0.00 0.00 1.31 0.00 0.00 55.95 59.86 1j89 s SER 146 Cb 0.09 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1j89 s SER 146 CO 0.51 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.93 1j89 n GLY 147 N 3.82 -0.56 3.15 3.44 0.00 -0.40 -4.97 105.19 109.67 1j89 n GLY 147 Ca 0.14 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 1j89 n GLY 147 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j89 s THR 148 N -3.02 2.58 0.32 2.61 -4.23 -1.26 0.08 115.64 112.71 1j89 s THR 148 Ca 0.00 -1.19 0.07 0.00 -1.18 0.00 0.00 61.69 59.40 1j89 s THR 148 Cb 0.00 -2.34 -0.03 0.00 1.34 0.00 0.00 72.50 71.47 1j89 s THR 148 CO 0.00 0.18 0.26 -0.31 -0.54 0.00 0.00 174.62 174.21 1j89 s TYR 149 N 1.26 2.95 -0.14 3.99 1.51 0.16 -1.02 117.35 126.06 1j89 s TYR 149 Ca -0.02 -0.26 -0.31 0.00 -1.01 0.00 0.00 57.07 55.48 1j89 s TYR 149 Cb -0.17 -1.70 0.13 0.00 -0.11 0.00 0.00 41.96 40.11 1j89 s TYR 149 CO -0.06 0.27 1.05 1.52 -1.11 0.00 0.00 175.55 177.22 1j89 s TYR 150 N -2.27 -0.28 0.21 2.71 -0.85 -0.77 0.16 117.35 116.27 1j89 s TYR 150 Ca 0.39 0.35 0.06 0.00 -0.52 0.00 0.00 57.07 57.36 1j89 s TYR 150 Cb -0.06 0.49 -0.05 0.00 0.38 0.00 0.00 41.96 42.72 1j89 s TYR 150 CO 0.26 -0.34 -0.10 0.00 -1.52 0.00 0.00 175.55 173.85 1j89 s THR 152 N -3.09 0.78 0.20 0.00 -4.23 -0.42 -1.50 115.64 107.39 1j89 s THR 152 Ca 0.23 -0.76 -0.23 0.00 -1.18 0.00 0.00 61.69 59.76 1j89 s THR 152 Cb 0.01 -0.72 0.06 0.00 1.34 0.00 0.00 72.50 73.19 1j89 s THR 152 CO 0.07 -0.02 0.93 -0.83 -0.54 0.00 0.00 174.62 174.22 1j89 s GLY 153 N -0.87 -0.08 -0.26 3.99 0.00 -0.77 -1.71 107.32 107.61 1j89 s GLY 153 Ca -0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 44.72 44.53 1j89 s GLY 153 CO 0.00 0.43 0.05 1.25 0.00 0.00 0.00 173.10 174.83 1j89 s LYS 154 N -3.05 3.36 -0.18 2.90 2.20 0.53 -0.55 119.74 124.95 1j89 s LYS 154 Ca 0.14 -0.66 -0.06 0.00 -0.36 0.00 0.00 55.97 55.03 1j89 s LYS 154 Cb -0.03 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 32.98 1j89 s LYS 154 CO 0.05 -0.29 0.02 0.08 -0.36 0.00 0.00 175.35 174.84 1j89 s VAL 155 N 1.54 4.42 0.00 4.02 1.01 0.04 -1.49 120.40 129.94 1j89 s VAL 155 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1j89 s VAL 155 Cb -0.16 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1j89 s VAL 155 CO 0.02 0.47 0.00 0.79 0.00 0.00 0.00 175.10 176.37 1j89 n TRP 156 N 3.61 0.00 -2.16 5.22 7.02 -1.26 -0.89 117.44 128.97 1j89 n TRP 156 Ca -0.17 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.32 1j89 n TRP 156 Cb 0.52 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 1j89 n TRP 156 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1j89 n GLN 157 N 0.00 0.00 -4.19 -0.99 1.13 -1.26 -5.06 117.38 107.01 1j89 n GLN 157 Ca 0.00 -1.25 -0.17 0.00 -1.94 0.00 0.00 57.00 53.64 1j89 n GLN 157 Cb 0.00 -0.25 -0.11 0.00 0.11 0.00 0.00 30.24 29.98 1j89 n GLN 157 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1j89 s LEU 158 N 0.00 2.34 0.22 1.08 1.43 -0.07 -5.13 118.68 118.54 1j89 s LEU 158 Ca 0.11 -0.70 -0.14 0.00 -1.03 0.00 0.00 54.13 52.37 1j89 s LEU 158 Cb 0.13 -0.47 -0.08 0.00 0.03 0.00 0.00 46.19 45.80 1j89 s LEU 158 CO -0.05 -0.13 0.62 -1.81 0.23 0.00 0.00 176.35 175.20 1j89 s ASP 159 N -2.06 6.80 -0.02 2.29 1.01 -1.26 -0.78 116.67 122.64 1j89 s ASP 159 Ca 0.02 1.14 -0.07 0.00 0.71 0.00 0.00 52.55 54.35 1j89 s ASP 159 Cb -0.07 -2.31 0.01 0.00 1.01 0.00 0.00 42.92 41.55 1j89 s ASP 159 CO 0.02 -0.03 0.15 -0.31 0.21 0.00 0.00 175.17 175.21 1j89 s TYR 160 N -1.69 -0.05 -0.02 4.23 1.51 0.28 -4.94 117.35 116.67 1j89 s TYR 160 Ca 0.45 0.10 0.02 0.00 -1.01 0.00 0.00 57.07 56.62 1j89 s TYR 160 Cb -0.13 -0.00 -0.03 0.00 -0.11 0.00 0.00 41.96 41.68 1j89 s TYR 160 CO 0.20 -0.21 -0.04 -2.00 -1.11 0.00 0.00 175.55 172.39 1j89 s GLU 161 N -0.80 2.72 0.37 -0.62 2.12 -1.26 -1.84 118.70 119.37 1j89 s GLU 161 Ca -0.09 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 54.63 1j89 s GLU 161 Cb -0.05 -2.61 -0.03 0.00 0.26 0.00 0.00 34.13 31.70 1j89 s GLU 161 CO 0.01 0.63 0.57 -1.54 -0.54 0.00 0.00 175.26 174.40 1j89 s SER 162 N -1.29 6.22 0.58 -1.70 1.04 -0.56 -4.70 113.70 113.29 1j89 s SER 162 Ca 0.17 0.43 -0.19 0.00 0.48 0.00 0.00 55.95 56.84 1j89 s SER 162 Cb -0.11 -1.96 -0.04 0.00 0.10 0.00 0.00 66.02 64.01 1j89 s SER 162 CO 0.07 -0.37 1.21 -1.61 0.98 0.00 0.00 173.24 173.52 1j89 s GLU 163 N -4.36 3.04 0.30 4.02 0.41 -1.26 -4.67 118.70 116.18 1j89 s GLU 163 Ca 0.41 1.82 -0.27 0.00 -0.41 0.00 0.00 54.97 56.53 1j89 s GLU 163 Cb -0.10 -1.97 -0.10 0.00 -1.78 0.00 0.00 34.13 30.19 1j89 s GLU 163 CO 0.37 -1.15 0.94 -1.25 -0.49 0.00 0.00 175.26 173.67 1j89 s PRO 164 N -3.28 4.63 -0.06 0.39 0.04 -1.26 -4.64 135.00 130.82 1j89 s PRO 164 Ca 0.76 1.34 0.02 0.00 0.04 0.00 0.00 61.00 63.17 1j89 s PRO 164 Cb -0.30 -2.90 0.01 0.00 0.04 0.00 0.00 34.50 31.36 1j89 s PRO 164 CO 0.33 0.33 -0.10 -1.17 0.04 0.00 0.00 177.00 176.43 1j89 s LEU 165 N -1.88 1.59 0.30 -3.56 2.96 0.44 -4.95 118.68 113.58 1j89 s LEU 165 Ca 0.48 -0.25 -0.18 0.00 -0.22 0.00 0.00 54.13 53.96 1j89 s LEU 165 Cb -0.20 -0.72 -0.09 0.00 0.50 0.00 0.00 46.19 45.69 1j89 s LEU 165 CO 0.25 0.02 0.77 0.20 -1.32 0.00 0.00 176.35 176.27 1j89 s ASN 166 N 0.67 6.93 -0.08 3.68 0.01 -1.26 0.39 114.94 125.27 1j89 s ASN 166 Ca -0.13 1.41 -0.04 0.00 -0.71 0.00 0.00 52.86 53.40 1j89 s ASN 166 Cb -0.15 -2.42 0.04 0.00 0.41 0.00 0.00 41.25 39.13 1j89 s ASN 166 CO 0.03 -0.13 0.18 -0.63 -1.51 0.00 0.00 177.10 175.04 1j89 s ILE 167 N -1.82 -0.10 -0.13 0.60 1.01 0.11 -4.94 121.20 115.93 1j89 s ILE 167 Ca 0.51 0.20 0.02 0.00 0.00 0.00 0.00 60.65 61.38 1j89 s ILE 167 Cb -0.13 -0.30 0.01 0.00 0.01 0.00 0.00 42.46 42.05 1j89 s ILE 167 CO 0.19 0.08 -0.19 -0.89 0.00 0.00 0.00 174.94 174.13 1j89 s THR 168 N 1.43 1.82 -0.36 2.92 2.01 -0.59 -1.27 115.64 121.60 1j89 s THR 168 Ca -0.07 -0.83 -0.09 0.00 0.31 0.00 0.00 61.69 61.01 1j89 s THR 168 Cb -0.11 -1.63 0.03 0.00 0.01 0.00 0.00 72.50 70.80 1j89 s THR 168 CO -0.07 0.50 0.16 -0.69 -0.69 0.00 0.00 174.62 173.84 1j89 s VAL 169 N 0.97 4.21 0.40 3.82 1.01 -1.26 -0.03 120.40 129.52 1j89 s VAL 169 Ca -0.05 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 60.97 1j89 s VAL 169 Cb -0.15 -3.37 -0.00 0.00 0.00 0.00 0.00 36.38 32.86 1j89 s VAL 169 CO -0.03 -0.22 0.58 0.27 0.00 0.00 0.00 175.10 175.70 1j89 s ILE 170 N 1.48 3.89 -0.10 2.22 -4.36 0.14 -4.77 121.20 119.69 1j89 s ILE 170 Ca 0.00 -0.77 0.01 0.00 -0.26 0.00 0.00 60.65 59.63 1j89 s ILE 170 Cb -0.19 -3.39 0.01 0.00 1.25 0.00 0.00 42.46 40.13 1j89 s ILE 170 CO 0.05 -0.21 0.53 2.29 0.24 0.00 0.00 174.94 177.84