#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 3.70 -0.11 1.64 0.04 -1.26 -5.02 135.00 133.98 1j89 s PRO 5 Ca 0.00 0.40 -0.04 0.00 0.04 0.00 0.00 61.00 61.40 1j89 s PRO 5 Cb 0.00 -2.38 0.05 0.00 0.04 0.00 0.00 34.50 32.21 1j89 s PRO 5 CO 0.00 -0.10 0.08 0.21 0.04 0.00 0.00 177.00 177.23 1j89 s LYS 6 N -4.13 0.00 -0.01 4.56 2.20 -1.26 -4.23 119.74 116.87 1j89 s LYS 6 Ca 0.50 0.13 -0.30 0.00 -0.36 0.00 0.00 55.97 55.94 1j89 s LYS 6 Cb -0.10 -1.24 -0.06 0.00 -1.51 0.00 0.00 37.83 34.92 1j89 s LYS 6 CO 0.36 -0.52 1.55 0.08 -0.36 0.00 0.00 175.35 176.45 1j89 s VAL 7 N 2.16 3.53 0.26 4.02 1.01 -1.26 -2.60 120.40 127.52 1j89 s VAL 7 Ca 0.03 0.83 0.07 0.00 0.00 0.00 0.00 61.98 62.91 1j89 s VAL 7 Cb -0.14 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1j89 s VAL 7 CO -0.06 -0.03 0.21 -0.94 0.00 0.00 0.00 175.10 174.27 1j89 s SER 8 N 2.53 5.54 0.20 3.32 1.04 -0.44 -4.98 113.70 120.91 1j89 s SER 8 Ca 0.69 -0.25 0.07 0.00 0.48 0.00 0.00 55.95 56.94 1j89 s SER 8 Cb -0.34 -1.39 -0.05 0.00 0.10 0.00 0.00 66.02 64.35 1j89 s SER 8 CO 0.28 -0.06 -0.13 -0.76 0.98 0.00 0.00 173.24 173.55 1j89 s LEU 9 N -3.86 2.55 -0.30 2.42 1.43 -1.26 -2.16 118.68 117.50 1j89 s LEU 9 Ca 0.33 -1.03 -0.03 0.00 -1.03 0.00 0.00 54.13 52.38 1j89 s LEU 9 Cb -0.08 -0.61 0.18 0.00 0.03 0.00 0.00 46.19 45.71 1j89 s LEU 9 CO 0.25 -0.21 0.60 0.21 0.23 0.00 0.00 176.35 177.43 1j89 s ASN 10 N -3.29 -1.26 1.09 2.29 2.47 -1.00 -4.12 114.94 111.11 1j89 s ASN 10 Ca 0.22 0.97 -0.18 0.00 0.42 0.00 0.00 52.86 54.29 1j89 s ASN 10 Cb 0.00 2.14 0.08 0.00 -1.45 0.00 0.00 41.25 42.02 1j89 s ASN 10 CO 0.06 -0.25 0.04 -2.65 -3.72 0.00 0.00 177.10 170.57 1j89 n PRO 11 N 5.43 -1.32 0.17 0.43 -0.02 -1.26 -2.21 135.00 136.22 1j89 n PRO 11 Ca -0.03 -0.36 0.03 0.00 -2.02 0.00 0.00 63.50 61.12 1j89 n PRO 11 Cb 0.51 -1.71 0.28 0.00 -0.02 0.00 0.00 33.50 32.56 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 -1.95 0.00 -6.09 0.52 0.11 -1.94 -3.45 132.00 119.21 1j89 h PRO 12 Ca -0.51 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 64.92 1j89 h PRO 12 Cb 1.35 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 1j89 h PRO 12 CO 0.37 0.46 1.24 0.91 -0.21 0.00 0.00 178.00 180.77 1j89 n TRP 13 N -3.63 1.88 -1.01 0.65 5.03 -1.26 -4.84 117.44 114.26 1j89 n TRP 13 Ca -0.01 0.26 0.02 0.00 3.03 0.00 0.00 57.50 60.80 1j89 n TRP 13 Cb 0.54 -2.55 0.33 0.00 -1.03 0.00 0.00 31.31 28.60 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 8.21 4.82 -3.60 -0.99 6.94 -1.26 -4.70 115.26 124.68 1j89 n ASN 14 Ca 0.33 -3.11 -0.29 0.00 -0.02 0.00 0.00 54.58 51.49 1j89 n ASN 14 Cb 0.23 -0.68 -0.15 0.00 -2.36 0.00 0.00 39.78 36.82 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 -2.90 0.34 0.22 -3.83 0.52 -1.26 -2.78 118.95 109.26 1j89 s ARG 15 Ca 0.52 -0.66 0.11 0.00 -0.52 0.00 0.00 55.73 55.18 1j89 s ARG 15 Cb 0.41 -1.44 -0.05 0.00 0.52 0.00 0.00 34.95 34.39 1j89 s ARG 15 CO 0.13 -0.99 -0.21 0.96 0.02 0.00 0.00 175.30 175.21 1j89 s ILE 16 N 1.96 2.27 1.21 1.52 -4.36 0.55 -4.86 121.20 119.48 1j89 s ILE 16 Ca 0.09 -2.16 -0.20 0.00 -0.26 0.00 0.00 60.65 58.11 1j89 s ILE 16 Cb -0.16 -2.14 0.30 0.00 1.25 0.00 0.00 42.46 41.71 1j89 s ILE 16 CO -0.32 -0.29 1.12 0.49 0.24 0.00 0.00 174.94 176.18 1j89 n PHE 17 N -0.10 -3.91 -2.96 1.37 0.99 -1.26 0.45 117.46 112.05 1j89 n PHE 17 Ca -0.10 -1.01 -0.40 0.00 -0.00 0.00 0.00 57.45 55.94 1j89 n PHE 17 Cb 0.58 -1.13 -0.04 0.00 -1.00 0.00 0.00 39.48 37.89 1j89 n PHE 17 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1j89 s LYS 18 N -5.52 4.41 0.00 -1.08 2.20 -0.42 -3.83 119.74 115.49 1j89 s LYS 18 Ca 0.71 0.98 0.00 0.00 -0.36 0.00 0.00 55.97 57.31 1j89 s LYS 18 Cb -0.07 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1j89 s LYS 18 CO 0.54 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.87 1j89 n GLY 19 N 3.20 0.77 3.86 5.54 0.00 0.61 -4.81 105.19 114.37 1j89 n GLY 19 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.85 3.61 0.01 1.61 2.02 -1.25 -3.49 118.70 120.35 1j89 s GLU 20 Ca 0.00 0.80 0.03 0.00 0.02 0.00 0.00 54.97 55.82 1j89 s GLU 20 Cb 0.00 -2.08 -0.03 0.00 0.10 0.00 0.00 34.13 32.11 1j89 s GLU 20 CO 0.00 -0.56 -0.06 -0.80 0.02 0.00 0.00 175.26 173.86 1j89 s ASN 21 N -3.97 4.67 0.03 -0.19 0.01 -1.26 -2.32 114.94 111.90 1j89 s ASN 21 Ca 0.56 -0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.57 1j89 s ASN 21 Cb -0.11 -1.10 -0.02 0.00 0.41 0.00 0.00 41.25 40.43 1j89 s ASN 21 CO 0.50 0.28 -0.04 0.54 -1.51 0.00 0.00 177.10 176.87 1j89 s VAL 22 N -1.01 0.23 -0.14 1.60 0.11 -0.64 -4.69 120.40 115.86 1j89 s VAL 22 Ca 0.17 -1.02 0.02 0.00 -2.93 0.00 0.00 61.98 58.22 1j89 s VAL 22 Cb -0.11 -0.45 0.01 0.00 -1.53 0.00 0.00 36.38 34.30 1j89 s VAL 22 CO 0.08 -0.51 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.24 1j89 s THR 23 N -1.64 1.96 -0.41 5.04 2.01 -0.94 -0.72 115.64 120.95 1j89 s THR 23 Ca -0.13 -0.92 -0.12 0.00 0.31 0.00 0.00 61.69 60.84 1j89 s THR 23 Cb -0.09 -1.74 0.05 0.00 0.01 0.00 0.00 72.50 70.73 1j89 s THR 23 CO -0.01 0.53 0.27 -0.76 -0.69 0.00 0.00 174.62 173.96 1j89 s LEU 24 N 0.88 5.05 -0.15 4.42 1.43 -0.25 -2.38 118.68 127.68 1j89 s LEU 24 Ca -0.06 -1.16 -0.10 0.00 -1.03 0.00 0.00 54.13 51.78 1j89 s LEU 24 Cb -0.15 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 1j89 s LEU 24 CO -0.03 -0.48 0.19 -0.89 0.23 0.00 0.00 176.35 175.37 1j89 s THR 25 N 1.56 5.39 0.28 5.49 2.01 -0.92 -0.81 115.64 128.66 1j89 s THR 25 Ca 0.03 0.31 -0.24 0.00 0.31 0.00 0.00 61.69 62.11 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 0.86 0.00 -0.69 0.00 0.00 174.62 175.34 1j89 n ASN 27 N 0.61 0.00 0.00 0.00 5.15 -1.07 -4.79 115.26 115.17 1j89 n ASN 27 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1j89 n ASN 27 Cb 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 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 1.32 0.11 8.20 0.00 -1.26 -4.89 105.19 108.68 1j89 n GLY 28 Ca 0.00 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.14 0.00 1.61 -1.24 -1.99 -3.47 115.58 110.36 1j89 h ASN 29 Ca 0.00 -0.40 0.00 0.00 0.71 0.00 0.00 56.30 56.61 1j89 h ASN 29 Cb 0.00 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.09 1j89 h ASN 29 CO 0.00 0.38 0.00 0.59 -1.29 0.00 0.00 177.43 177.11 1j89 n ASN 30 N -4.92 0.07 -4.33 1.15 5.03 -1.26 -5.09 115.26 105.92 1j89 n ASN 30 Ca -0.08 0.02 -0.34 0.00 0.87 0.00 0.00 54.58 55.05 1j89 n ASN 30 Cb 0.27 -0.01 -0.14 0.00 -1.02 0.00 0.00 39.78 38.87 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 -1.09 2.90 0.41 3.10 0.40 -1.26 -5.11 117.98 117.33 1j89 s PHE 31 Ca 0.00 -0.86 0.07 0.00 -0.60 0.00 0.00 56.93 55.54 1j89 s PHE 31 Cb 0.00 -1.99 -0.08 0.00 0.51 0.00 0.00 43.02 41.47 1j89 s PHE 31 CO 0.00 -0.42 0.01 0.12 0.70 0.00 0.00 175.22 175.63 1j89 s PHE 32 N 1.00 2.47 0.00 0.36 5.36 -1.26 -5.07 117.98 120.84 1j89 s PHE 32 Ca -0.01 -0.69 -0.02 0.00 -0.96 0.00 0.00 56.93 55.25 1j89 s PHE 32 Cb -0.15 -1.75 -0.01 0.00 -0.34 0.00 0.00 43.02 40.76 1j89 s PHE 32 CO -0.01 0.42 -0.06 -1.91 -1.46 0.00 0.00 175.22 172.21 1j89 n GLU 33 N -0.97 0.09 -1.57 10.12 4.07 -1.26 -5.08 120.64 126.04 1j89 n GLU 33 Ca -0.05 0.04 -0.38 0.00 -0.06 0.00 0.00 57.16 56.70 1j89 n GLU 33 Cb 0.67 -0.65 0.04 0.00 -0.06 0.00 0.00 31.44 31.44 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 -3.39 3.11 0.52 6.31 0.31 -1.26 -4.93 118.33 119.00 1j89 n VAL 34 Ca -0.06 -0.50 0.06 0.00 -0.01 0.00 0.00 64.34 63.83 1j89 n VAL 34 Cb 0.35 -1.00 0.03 0.00 -0.91 0.00 0.00 33.84 32.31 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 -0.23 1.78 -4.27 4.52 3.41 -1.26 -4.65 113.62 112.91 1j89 n SER 35 Ca 0.13 -1.39 -0.45 0.00 -0.26 0.00 0.00 58.87 56.90 1j89 n SER 35 Cb 0.46 0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 64.54 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 -1.20 6.39 -0.02 4.04 1.04 -1.26 -4.26 113.70 118.43 1j89 s SER 36 Ca 0.13 -2.70 0.05 0.00 0.48 0.00 0.00 55.95 53.91 1j89 s SER 36 Cb 0.10 -2.13 -0.01 0.00 0.10 0.00 0.00 66.02 64.08 1j89 s SER 36 CO 0.20 -0.53 -0.17 -0.89 0.98 0.00 0.00 173.24 172.83 1j89 s THR 37 N 0.15 1.39 0.00 2.02 2.01 -0.82 -4.37 115.64 116.02 1j89 s THR 37 Ca 0.17 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 61.45 1j89 s THR 37 Cb -0.13 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 1j89 s THR 37 CO -0.07 0.40 0.04 -0.54 -0.69 0.00 0.00 174.62 173.75 1j89 s LYS 38 N -0.28 2.90 -0.04 4.92 1.02 -0.78 -4.38 119.74 123.09 1j89 s LYS 38 Ca 0.04 -0.57 0.03 0.00 0.02 0.00 0.00 55.97 55.49 1j89 s LYS 38 Cb -0.08 -2.75 0.01 0.00 -0.52 0.00 0.00 37.83 34.49 1j89 s LYS 38 CO 0.00 0.63 -0.11 -1.58 -0.92 0.00 0.00 175.35 173.37 1j89 s TRP 39 N -1.15 1.16 -0.61 3.18 0.23 -1.25 -3.10 118.94 117.41 1j89 s TRP 39 Ca 0.21 -0.33 0.05 0.00 -2.03 0.00 0.00 56.10 54.00 1j89 s TRP 39 Cb -0.12 -0.83 0.18 0.00 0.03 0.00 0.00 33.47 32.73 1j89 s TRP 39 CO 0.12 -0.15 0.47 1.19 0.96 0.00 0.00 176.95 179.55 1j89 n PHE 40 N 3.41 1.96 -1.92 -1.98 3.01 -0.55 -0.49 117.46 120.92 1j89 n PHE 40 Ca -0.20 -3.99 -0.40 0.00 1.01 0.00 0.00 57.45 53.87 1j89 n PHE 40 Cb 0.53 -0.36 -0.03 0.00 -0.01 0.00 0.00 39.48 39.62 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 -1.11 1.59 -1.07 1.38 2.46 -0.95 -1.88 115.29 115.70 1j89 s HIS 41 Ca 0.29 0.82 0.00 0.00 0.47 0.00 0.00 55.06 56.64 1j89 s HIS 41 Cb 0.01 -4.01 0.00 0.00 -0.13 0.00 0.00 32.58 28.44 1j89 s HIS 41 CO -0.16 -2.74 0.00 0.09 -2.47 0.00 0.00 174.74 169.46 1j89 n ASN 42 N 12.14 -4.00 0.00 9.88 4.13 0.78 -2.88 115.26 135.32 1j89 n ASN 42 Ca 0.25 0.14 0.00 0.00 1.68 0.00 0.00 54.58 56.64 1j89 n ASN 42 Cb 0.50 -2.84 0.00 0.00 -1.54 0.00 0.00 39.78 35.90 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 -1.33 2.65 3.68 7.41 0.00 -0.79 -5.02 105.19 111.80 1j89 n GLY 43 Ca -0.12 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1j89 n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j89 s SER 44 N 0.00 6.46 0.60 1.61 0.01 -1.14 -4.78 113.70 116.45 1j89 s SER 44 Ca 0.00 2.69 -0.18 0.00 1.31 0.00 0.00 55.95 59.77 1j89 s SER 44 Cb 0.00 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.62 1j89 s SER 44 CO 0.00 -1.00 0.85 -0.11 0.41 0.00 0.00 173.24 173.39 1j89 n LEU 45 N 6.16 2.98 -4.91 2.44 7.94 -1.26 -2.25 117.00 128.10 1j89 n LEU 45 Ca 0.18 0.79 -0.21 0.00 -1.11 0.00 0.00 56.01 55.66 1j89 n LEU 45 Cb 0.39 -1.33 -0.01 0.00 0.53 0.00 0.00 43.42 42.99 1j89 n LEU 45 CO 0.66 -2.17 0.06 -0.55 -1.11 0.00 0.00 177.39 174.28 1j89 s SER 46 N -1.24 5.11 0.06 1.96 0.15 0.36 -4.81 113.70 115.29 1j89 s SER 46 Ca 0.74 -0.75 0.24 0.00 0.70 0.00 0.00 55.95 56.88 1j89 s SER 46 Cb -0.42 -0.41 0.30 0.00 -1.71 0.00 0.00 66.02 63.77 1j89 s SER 46 CO 0.49 -0.77 1.26 -0.62 1.20 0.00 0.00 173.24 174.79 1j89 n GLU 47 N -1.67 0.18 -2.52 5.44 1.02 -1.26 -4.80 120.64 117.03 1j89 n GLU 47 Ca 0.05 0.03 -0.30 0.00 -0.02 0.00 0.00 57.16 56.91 1j89 n GLU 47 Cb 0.62 -1.59 -0.02 0.00 -0.02 0.00 0.00 31.44 30.43 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 -3.11 3.74 0.00 3.49 2.56 -1.26 -4.98 118.70 119.14 1j89 s GLU 48 Ca 0.07 0.58 0.00 0.00 0.00 0.00 0.00 54.97 55.62 1j89 s GLU 48 Cb 0.15 -2.27 0.00 0.00 2.00 0.00 0.00 34.13 34.01 1j89 s GLU 48 CO 0.74 -0.22 0.00 0.25 -0.56 0.00 0.00 175.26 175.47 1j89 n THR 49 N -1.83 0.00 -1.33 -1.70 -2.24 -1.26 -4.64 114.28 101.28 1j89 n THR 49 Ca 0.04 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.47 1j89 n THR 49 Cb 0.54 -0.28 0.10 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.13 0.93 0.20 3.42 2.85 -1.26 -1.95 115.26 118.33 1j89 n ASN 50 Ca 0.00 0.67 0.15 0.00 -0.11 0.00 0.00 54.58 55.28 1j89 n ASN 50 Cb 0.18 -1.47 0.63 0.00 1.24 0.00 0.00 39.78 40.36 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 -0.35 0.00 -3.54 1.20 4.64 -1.89 -3.40 113.55 110.22 1j89 h SER 51 Ca -0.48 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.14 1j89 h SER 51 Cb 1.32 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.12 1j89 h SER 51 CO 0.47 0.00 -0.53 -0.44 -0.87 0.00 0.00 176.83 175.47 1j89 s SER 52 N -4.82 5.47 -0.48 4.97 0.01 -1.26 -1.64 113.70 115.94 1j89 s SER 52 Ca 0.02 -1.44 -0.18 0.00 1.31 0.00 0.00 55.95 55.65 1j89 s SER 52 Cb 0.09 -1.92 0.05 0.00 0.21 0.00 0.00 66.02 64.45 1j89 s SER 52 CO 0.43 -0.46 0.56 -0.22 0.41 0.00 0.00 173.24 173.96 1j89 s LEU 53 N 1.38 5.00 0.56 2.44 2.96 0.01 -4.93 118.68 126.10 1j89 s LEU 53 Ca 0.02 -0.88 -0.09 0.00 -0.22 0.00 0.00 54.13 52.95 1j89 s LEU 53 Cb -0.22 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 1j89 s LEU 53 CO 0.01 -0.80 0.93 0.20 -1.32 0.00 0.00 176.35 175.38 1j89 s ASN 54 N 2.47 6.27 -0.12 3.68 0.01 -1.26 -1.09 114.94 124.90 1j89 s ASN 54 Ca 0.14 1.25 -0.02 0.00 -0.71 0.00 0.00 52.86 53.51 1j89 s ASN 54 Cb -0.19 -2.39 0.04 0.00 0.41 0.00 0.00 41.25 39.12 1j89 s ASN 54 CO 0.12 -0.74 0.03 -0.63 -1.51 0.00 0.00 177.10 174.37 1j89 s ILE 55 N -2.97 0.32 0.00 0.60 1.01 0.10 -4.94 121.20 115.33 1j89 s ILE 55 Ca 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.07 1j89 s ILE 55 Cb -0.11 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.70 1j89 s ILE 55 CO 0.49 0.03 0.00 0.52 0.00 0.00 0.00 174.94 175.98 1j89 n VAL 56 N 5.15 0.00 0.00 2.92 0.31 -1.26 -1.62 118.33 123.83 1j89 n VAL 56 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1j89 n VAL 56 Cb 0.49 -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 -4.51 4.52 3.02 -1.25 -4.61 115.26 111.76 1j89 n ASN 57 Ca 0.00 0.00 -0.47 0.00 -0.03 0.00 0.00 54.58 54.08 1j89 n ASN 57 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 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 1.30 -2.79 5.41 0.00 -0.98 -4.60 120.51 118.85 1j89 n ALA 58 Ca 0.00 -0.20 -0.36 0.00 0.00 0.00 0.00 53.44 52.88 1j89 n ALA 58 Cb 0.00 -2.73 -0.08 0.00 0.00 0.00 0.00 19.45 16.64 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 6.51 3.33 0.52 0.00 1.02 -1.26 -0.28 119.74 129.58 1j89 s LYS 59 Ca 1.06 -0.28 0.46 0.00 0.02 0.00 0.00 55.97 57.23 1j89 s LYS 59 Cb -0.63 -3.03 1.64 0.00 -0.52 0.00 0.00 37.83 35.30 1j89 s LYS 59 CO 0.42 0.67 1.52 1.19 -0.92 0.00 0.00 175.35 178.24 1j89 n PHE 60 N 2.27 0.15 0.27 3.18 0.99 -1.26 0.13 117.46 123.18 1j89 n PHE 60 Ca -0.19 0.15 0.14 0.00 -0.00 0.00 0.00 57.45 57.55 1j89 n PHE 60 Cb 0.54 -0.62 0.73 0.00 -1.00 0.00 0.00 39.48 39.12 1j89 n PHE 60 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1j89 h GLU 61 N 0.00 0.00 0.00 -1.08 3.07 -2.00 -2.09 114.58 112.48 1j89 h GLU 61 Ca 0.91 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.73 1j89 h GLU 61 Cb 3.49 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 31.40 1j89 h GLU 61 CO -0.11 0.11 -0.18 -0.44 -1.40 0.00 0.00 179.01 176.99 1j89 h ASP 62 N 0.00 0.00 -2.59 1.42 3.32 0.60 -3.43 116.42 115.75 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 0.40 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.99 1j89 h ASP 62 CO 0.01 0.18 1.07 -0.44 -1.72 0.00 0.00 179.24 178.35 1j89 s SER 63 N -6.11 6.46 0.00 6.45 0.01 -0.79 -4.86 113.70 114.86 1j89 s SER 63 Ca 0.00 2.72 0.00 0.00 1.31 0.00 0.00 55.95 59.98 1j89 s SER 63 Cb 0.10 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1j89 s SER 63 CO 0.62 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1j89 n GLY 64 N 4.15 -0.95 3.45 3.44 0.00 0.94 -4.93 105.19 111.28 1j89 n GLY 64 Ca 0.17 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.76 3.65 0.41 1.61 2.12 -1.26 0.58 118.70 125.05 1j89 s GLU 65 Ca 0.00 -0.48 0.07 0.00 0.36 0.00 0.00 54.97 54.92 1j89 s GLU 65 Cb 0.00 -3.27 -0.07 0.00 0.26 0.00 0.00 34.13 31.05 1j89 s GLU 65 CO 0.00 -0.15 0.08 0.71 -0.54 0.00 0.00 175.26 175.36 1j89 s TYR 66 N 1.48 2.55 -0.20 5.30 1.51 0.04 -0.15 117.35 127.88 1j89 s TYR 66 Ca 0.06 -0.63 -0.32 0.00 -1.01 0.00 0.00 57.07 55.16 1j89 s TYR 66 Cb -0.15 -1.84 0.15 0.00 -0.11 0.00 0.00 41.96 40.01 1j89 s TYR 66 CO 0.03 0.35 1.18 -1.59 -1.11 0.00 0.00 175.55 174.41 1j89 s LYS 67 N -3.78 0.34 0.07 -0.62 -2.85 -1.26 -1.54 119.74 110.10 1j89 s LYS 67 Ca 0.37 -0.03 0.05 0.00 -1.00 0.00 0.00 55.97 55.36 1j89 s LYS 67 Cb 0.07 0.16 -0.03 0.00 -2.06 0.00 0.00 37.83 35.97 1j89 s LYS 67 CO 0.20 -0.13 -0.13 0.00 0.10 0.00 0.00 175.35 175.39 1j89 s GLN 69 N -1.79 0.54 0.00 0.00 0.74 -1.18 -0.54 119.66 117.42 1j89 s GLN 69 Ca -0.02 -0.09 0.00 0.00 0.05 0.00 0.00 55.36 55.29 1j89 s GLN 69 Cb -0.10 0.24 0.00 0.00 1.10 0.00 0.00 33.01 34.25 1j89 s GLN 69 CO 0.02 -0.13 0.00 0.72 -0.55 0.00 0.00 175.29 175.35 1j89 n HIS 70 N 1.74 -2.80 -0.06 1.67 8.25 -1.26 -1.87 115.22 120.90 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 -0.01 0.00 1.12 0.00 0.00 29.99 31.66 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 0.13 -1.73 -0.41 5.75 -2.02 -3.30 115.11 113.54 1j89 h GLN 71 Ca 0.00 -0.01 -0.50 0.00 -0.15 0.00 0.00 58.65 57.99 1j89 h GLN 71 Cb 0.00 -0.03 -0.41 0.00 1.07 0.00 0.00 27.48 28.11 1j89 h GLN 71 CO 0.00 0.09 -0.96 0.94 -2.65 0.00 0.00 178.83 176.25 1j89 n GLN 72 N -5.09 2.11 -3.91 1.69 7.27 -1.26 -5.06 117.38 113.13 1j89 n GLN 72 Ca -0.01 -3.97 -0.11 0.00 0.07 0.00 0.00 57.00 52.98 1j89 n GLN 72 Cb 0.11 -1.84 -0.12 0.00 2.41 0.00 0.00 30.24 30.80 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 -3.78 0.06 -0.01 1.69 1.01 -1.24 -5.02 120.40 113.10 1j89 s VAL 73 Ca 0.41 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 1j89 s VAL 73 Cb 0.37 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.52 1j89 s VAL 73 CO -0.09 -0.25 1.07 0.20 0.00 0.00 0.00 175.10 176.03 1j89 s ASN 74 N -0.77 7.23 0.20 3.32 0.01 -1.26 -4.08 114.94 119.59 1j89 s ASN 74 Ca -0.08 1.75 -0.28 0.00 -0.71 0.00 0.00 52.86 53.54 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 -0.40 0.51 -1.84 -1.51 0.00 0.00 177.10 173.86 1j89 n GLU 75 N 4.31 0.00 -1.21 -0.60 0.28 -1.26 -4.37 120.64 117.78 1j89 n GLU 75 Ca 0.08 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.76 1j89 n GLU 75 Cb 0.49 -0.99 0.10 0.00 1.43 0.00 0.00 31.44 32.47 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 -0.99 4.16 -0.18 -1.84 1.04 0.29 -4.87 113.70 111.32 1j89 s SER 76 Ca 0.63 2.00 -0.29 0.00 0.48 0.00 0.00 55.95 58.77 1j89 s SER 76 Cb -0.92 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 62.61 1j89 s SER 76 CO 0.56 -2.27 1.86 -1.61 0.98 0.00 0.00 173.24 172.76 1j89 s GLU 77 N -4.61 3.65 0.80 4.02 0.41 -1.26 -4.65 118.70 117.06 1j89 s GLU 77 Ca 0.65 1.93 -0.17 0.00 -0.41 0.00 0.00 54.97 56.97 1j89 s GLU 77 Cb -0.20 -4.16 -0.12 0.00 -1.78 0.00 0.00 34.13 27.86 1j89 s GLU 77 CO 0.53 -1.49 -0.31 -2.30 -0.49 0.00 0.00 175.26 171.20 1j89 n PRO 78 N 7.99 0.02 -4.32 0.39 -0.02 -1.26 -4.75 135.00 133.06 1j89 n PRO 78 Ca 0.22 0.02 -0.18 0.00 -2.02 0.00 0.00 63.50 61.54 1j89 n PRO 78 Cb 0.44 -1.18 -0.14 0.00 -0.02 0.00 0.00 33.50 32.60 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 -2.02 0.78 -0.11 -1.45 1.01 -0.59 -4.92 120.40 113.11 1j89 s VAL 79 Ca 0.50 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 1j89 s VAL 79 Cb -0.31 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1j89 s VAL 79 CO 0.73 0.08 0.04 -0.47 0.00 0.00 0.00 175.10 175.49 1j89 s TYR 80 N -0.49 3.28 -0.11 5.22 5.04 -1.26 -0.78 117.35 128.24 1j89 s TYR 80 Ca 0.01 0.26 0.03 0.00 -2.44 0.00 0.00 57.07 54.93 1j89 s TYR 80 Cb -0.05 -1.86 0.00 0.00 0.35 0.00 0.00 41.96 40.40 1j89 s TYR 80 CO 0.00 0.50 -0.22 -1.17 -1.34 0.00 0.00 175.55 173.32 1j89 s LEU 81 N -0.77 2.17 -0.04 6.97 2.96 0.20 -4.90 118.68 125.26 1j89 s LEU 81 Ca 0.12 -0.54 0.07 0.00 -0.22 0.00 0.00 54.13 53.56 1j89 s LEU 81 Cb -0.12 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 1j89 s LEU 81 CO 0.03 0.14 -0.25 -0.70 -1.32 0.00 0.00 176.35 174.25 1j89 s GLU 82 N 0.46 2.33 -0.05 1.98 2.12 -1.12 -0.04 118.70 124.38 1j89 s GLU 82 Ca -0.15 -0.90 0.03 0.00 0.36 0.00 0.00 54.97 54.31 1j89 s GLU 82 Cb -0.17 -2.12 -0.03 0.00 0.26 0.00 0.00 34.13 32.07 1j89 s GLU 82 CO 0.06 0.49 -0.14 0.08 -0.54 0.00 0.00 175.26 175.21 1j89 s VAL 83 N -0.43 3.09 0.19 3.70 1.01 -1.25 -0.33 120.40 126.37 1j89 s VAL 83 Ca 0.04 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.37 1j89 s VAL 83 Cb -0.12 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 1j89 s VAL 83 CO 0.01 0.59 -0.10 -0.36 0.00 0.00 0.00 175.10 175.24 1j89 s PHE 84 N -0.70 1.51 -0.16 5.22 0.40 0.17 -4.93 117.98 119.49 1j89 s PHE 84 Ca 0.11 -0.70 -0.02 0.00 -0.60 0.00 0.00 56.93 55.72 1j89 s PHE 84 Cb -0.11 -0.76 0.05 0.00 0.51 0.00 0.00 43.02 42.71 1j89 s PHE 84 CO 0.01 0.19 0.00 0.45 0.70 0.00 0.00 175.22 176.57 1j89 s SER 85 N -3.26 2.62 -0.08 1.36 0.15 -1.26 -1.30 113.70 111.93 1j89 s SER 85 Ca 0.21 -0.62 -0.32 0.00 0.70 0.00 0.00 55.95 55.91 1j89 s SER 85 Cb 0.02 -0.66 0.13 0.00 -1.71 0.00 0.00 66.02 63.80 1j89 s SER 85 CO 0.05 -0.25 1.34 -0.62 1.20 0.00 0.00 173.24 174.95 1j89 s ASP 86 N 1.81 -0.04 0.01 5.45 -1.08 -1.26 -5.06 116.67 116.50 1j89 s ASP 86 Ca 0.01 -0.07 -0.25 0.00 -0.52 0.00 0.00 52.55 51.71 1j89 s ASP 86 Cb -0.16 0.10 -0.17 0.00 -1.46 0.00 0.00 42.92 41.23 1j89 s ASP 86 CO -0.07 -0.18 1.29 -0.50 0.52 0.00 0.00 175.17 176.23 1j89 h TRP 87 N 2.00 -0.32 -4.35 -5.34 6.55 -1.95 -3.41 115.95 109.13 1j89 h TRP 87 Ca -0.27 -0.01 -0.62 0.00 0.95 0.00 0.00 58.89 58.94 1j89 h TRP 87 Cb 1.19 0.10 -0.30 0.00 -0.86 0.00 0.00 29.16 29.29 1j89 h TRP 87 CO 0.31 0.01 -0.86 -0.51 -1.05 0.00 0.00 178.44 176.33 1j89 s LEU 88 N -9.54 2.03 -0.07 -4.49 1.43 -1.26 -0.96 118.68 105.82 1j89 s LEU 88 Ca -0.14 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 1j89 s LEU 88 Cb 0.02 -1.13 0.01 0.00 0.03 0.00 0.00 46.19 45.13 1j89 s LEU 88 CO 0.57 0.25 -0.13 -0.22 0.23 0.00 0.00 176.35 177.05 1j89 s LEU 89 N -0.41 1.68 -0.35 1.79 2.96 0.46 -4.24 118.68 120.57 1j89 s LEU 89 Ca 0.06 -0.32 -0.23 0.00 -0.22 0.00 0.00 54.13 53.41 1j89 s LEU 89 Cb -0.09 -0.88 0.01 0.00 0.50 0.00 0.00 46.19 45.72 1j89 s LEU 89 CO -0.00 0.04 0.79 -0.22 -1.32 0.00 0.00 176.35 175.64 1j89 s LEU 90 N 0.65 4.12 -0.13 -0.68 2.96 -1.26 -0.95 118.68 123.39 1j89 s LEU 90 Ca -0.15 0.41 -0.07 0.00 -0.22 0.00 0.00 54.13 54.11 1j89 s LEU 90 Cb -0.16 -3.04 -0.04 0.00 0.50 0.00 0.00 46.19 43.45 1j89 s LEU 90 CO 0.04 -0.72 0.13 -1.10 -1.32 0.00 0.00 176.35 173.39 1j89 s GLN 91 N 3.09 3.49 0.02 1.98 -0.21 0.89 -4.92 119.66 124.00 1j89 s GLN 91 Ca 0.32 -0.15 0.07 0.00 0.02 0.00 0.00 55.36 55.61 1j89 s GLN 91 Cb -0.13 -3.19 -0.02 0.00 1.00 0.00 0.00 33.01 30.66 1j89 s GLN 91 CO 0.16 0.73 -0.20 0.00 -2.12 0.00 0.00 175.29 173.86 1j89 s ALA 92 N -0.89 1.68 0.06 6.09 0.00 -1.26 0.17 121.76 127.61 1j89 s ALA 92 Ca 0.14 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 1j89 s ALA 92 Cb -0.12 -0.36 -0.15 0.00 0.00 0.00 0.00 23.12 22.49 1j89 s ALA 92 CO 0.03 0.39 1.45 0.66 0.00 0.00 0.00 175.76 178.29 1j89 h SER 93 N 5.15 -1.07 -4.43 0.00 4.64 -1.55 -3.38 113.55 112.91 1j89 h SER 93 Ca -0.41 0.07 -0.31 0.00 -0.47 0.00 0.00 61.79 60.67 1j89 h SER 93 Cb 1.15 0.33 -0.18 0.00 -0.31 0.00 0.00 62.40 63.40 1j89 h SER 93 CO 0.45 -0.58 -0.73 0.00 -0.87 0.00 0.00 176.83 175.10 1j89 s ALA 94 N -5.37 1.07 -0.13 5.18 0.00 -1.26 -4.66 121.76 116.59 1j89 s ALA 94 Ca -0.15 -1.16 0.21 0.00 0.00 0.00 0.00 51.96 50.86 1j89 s ALA 94 Cb 0.03 0.03 -0.19 0.00 0.00 0.00 0.00 23.12 23.00 1j89 s ALA 94 CO 0.48 -0.04 0.68 0.39 0.00 0.00 0.00 175.76 177.27 1j89 n GLU 95 N 0.62 0.64 -4.85 0.00 1.02 -1.26 -4.88 120.64 111.92 1j89 n GLU 95 Ca -0.16 -0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.70 1j89 n GLU 95 Cb 0.58 -1.67 -0.17 0.00 -0.02 0.00 0.00 31.44 30.16 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 -3.26 1.52 0.06 2.62 1.01 -1.26 -1.57 120.40 119.52 1j89 s VAL 96 Ca -0.05 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1j89 s VAL 96 Cb 0.11 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1j89 s VAL 96 CO 0.85 0.44 -0.09 -0.69 0.00 0.00 0.00 175.10 175.61 1j89 s VAL 97 N 0.51 0.68 -0.15 2.92 1.01 0.14 -4.99 120.40 120.53 1j89 s VAL 97 Ca -0.16 -1.29 -0.24 0.00 0.00 0.00 0.00 61.98 60.29 1j89 s VAL 97 Cb -0.17 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1j89 s VAL 97 CO 0.06 -0.45 0.76 -0.04 0.00 0.00 0.00 175.10 175.43 1j89 s MET 98 N -2.04 4.31 -0.21 2.72 -1.94 -1.26 0.53 119.30 121.41 1j89 s MET 98 Ca -0.04 0.90 -0.42 0.00 -1.71 0.00 0.00 55.69 54.42 1j89 s MET 98 Cb -0.07 -3.55 -0.20 0.00 2.01 0.00 0.00 34.83 33.02 1j89 s MET 98 CO -0.00 -0.23 1.27 -1.91 -0.01 0.00 0.00 175.02 174.14 1j89 n GLU 99 N 4.88 0.00 0.00 2.03 2.13 0.34 -1.03 120.64 128.99 1j89 n GLU 99 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1j89 n GLU 99 Cb 0.50 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.74 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 2.50 2.81 3.74 8.31 0.00 0.13 -4.91 105.19 117.78 1j89 n GLY 100 Ca 0.24 0.00 -0.29 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 -0.48 0.11 0.26 1.61 -1.52 -0.20 -3.45 119.66 115.99 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 -1.74 -0.07 0.00 -0.22 0.00 0.00 33.01 30.97 1j89 s GLN 101 CO 0.00 -2.84 0.60 -1.25 -0.25 0.00 0.00 175.29 171.55 1j89 s PRO 102 N -5.43 3.84 -0.05 2.91 0.04 -0.97 -1.30 135.00 134.03 1j89 s PRO 102 Ca 0.69 0.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.08 1j89 s PRO 102 Cb -0.11 -2.59 0.03 0.00 0.04 0.00 0.00 34.50 31.87 1j89 s PRO 102 CO 0.55 0.26 0.02 -1.17 0.04 0.00 0.00 177.00 176.70 1j89 s LEU 103 N -2.92 0.65 -0.12 -3.56 2.96 0.36 -4.92 118.68 111.13 1j89 s LEU 103 Ca 0.49 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 54.40 1j89 s LEU 103 Cb -0.11 -0.28 0.01 0.00 0.50 0.00 0.00 46.19 46.31 1j89 s LEU 103 CO 0.21 -0.18 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.53 1j89 s PHE 104 N 1.71 2.19 0.07 5.38 0.40 -1.26 0.62 117.98 127.09 1j89 s PHE 104 Ca 0.00 -1.05 0.07 0.00 -0.60 0.00 0.00 56.93 55.35 1j89 s PHE 104 Cb -0.13 -1.54 -0.04 0.00 0.51 0.00 0.00 43.02 41.82 1j89 s PHE 104 CO -0.03 -0.51 -0.14 -0.51 0.70 0.00 0.00 175.22 174.73 1j89 s LEU 105 N 0.90 2.83 -0.03 -0.37 1.43 -0.50 -1.39 118.68 121.55 1j89 s LEU 105 Ca -0.07 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1j89 s LEU 105 Cb -0.15 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.44 1j89 s LEU 105 CO -0.01 0.22 0.06 -0.60 0.23 0.00 0.00 176.35 176.25 1j89 s ARG 106 N -1.82 -0.01 -0.59 1.70 3.52 0.13 -2.76 118.95 119.11 1j89 s ARG 106 Ca 0.18 0.26 -0.23 0.00 -0.13 0.00 0.00 55.73 55.80 1j89 s ARG 106 Cb -0.11 -0.26 0.05 0.00 -1.56 0.00 0.00 34.95 33.07 1j89 s ARG 106 CO 0.09 -0.19 0.92 0.00 -0.81 0.00 0.00 175.30 175.31 1j89 s HIS 108 N 3.88 3.35 0.70 0.00 2.46 -0.12 -4.96 115.29 120.60 1j89 s HIS 108 Ca 0.26 0.48 -0.09 0.00 0.47 0.00 0.00 55.06 56.17 1j89 s HIS 108 Cb -0.15 -2.44 0.04 0.00 -0.13 0.00 0.00 32.58 29.89 1j89 s HIS 108 CO 0.15 0.01 1.06 0.20 -2.47 0.00 0.00 174.74 173.68 1j89 s GLY 109 N 1.06 1.62 0.44 1.59 0.00 -1.26 -0.40 107.32 110.37 1j89 s GLY 109 Ca 0.15 -0.60 -0.17 0.00 0.00 0.00 0.00 44.72 44.10 1j89 s GLY 109 CO 0.07 -0.22 0.90 0.86 0.00 0.00 0.00 173.10 174.71 1j89 s TRP 110 N -3.30 3.39 -0.83 1.90 -0.11 -0.13 -3.76 118.94 116.11 1j89 s TRP 110 Ca 0.58 1.41 -0.01 0.00 1.22 0.00 0.00 56.10 59.30 1j89 s TRP 110 Cb -0.11 -2.72 0.01 0.00 -1.50 0.00 0.00 33.47 29.16 1j89 s TRP 110 CO 0.48 -0.17 0.07 0.54 -4.62 0.00 0.00 176.95 173.25 1j89 n ARG 111 N -1.02 -2.55 -2.78 5.86 1.74 -1.26 -0.27 116.66 116.38 1j89 n ARG 111 Ca 0.06 0.43 -0.15 0.00 -0.77 0.00 0.00 57.85 57.41 1j89 n ARG 111 Cb 0.54 -5.01 -0.00 0.00 -1.02 0.00 0.00 32.46 26.96 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 -1.80 -3.57 -2.57 0.55 2.85 -1.25 -4.94 115.26 104.54 1j89 n ASN 112 Ca -0.09 0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 1j89 n ASN 112 Cb 0.57 -3.02 0.00 0.00 1.24 0.00 0.00 39.78 38.58 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 -3.50 -2.85 -4.52 1.20 8.01 0.63 -5.02 117.44 111.40 1j89 n TRP 113 Ca -0.09 0.00 -0.34 0.00 -1.31 0.00 0.00 57.50 55.77 1j89 n TRP 113 Cb 0.58 0.00 -0.12 0.00 -2.01 0.00 0.00 31.31 29.75 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 -1.55 4.66 -0.04 -0.99 1.01 -1.26 -4.74 116.67 113.75 1j89 s ASP 114 Ca 0.00 -0.12 0.03 0.00 0.71 0.00 0.00 52.55 53.17 1j89 s ASP 114 Cb 0.00 -1.58 -0.03 0.00 1.01 0.00 0.00 42.92 42.32 1j89 s ASP 114 CO 0.00 0.23 -0.10 -0.69 0.21 0.00 0.00 175.17 174.82 1j89 s VAL 115 N -0.00 3.43 0.40 -1.27 1.01 -1.26 -4.44 120.40 118.27 1j89 s VAL 115 Ca -0.00 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.38 1j89 s VAL 115 Cb -0.13 -2.40 -0.07 0.00 0.00 0.00 0.00 36.38 33.77 1j89 s VAL 115 CO 0.03 0.54 0.02 -0.31 0.00 0.00 0.00 175.10 175.39 1j89 s TYR 116 N -0.83 2.32 -1.41 5.22 1.51 -0.35 -2.92 117.35 120.90 1j89 s TYR 116 Ca 0.13 -0.78 -0.03 0.00 -1.01 0.00 0.00 57.07 55.39 1j89 s TYR 116 Cb -0.11 -1.64 0.00 0.00 -0.11 0.00 0.00 41.96 40.10 1j89 s TYR 116 CO 0.02 0.31 0.37 1.63 -1.11 0.00 0.00 175.55 176.78 1j89 n LYS 117 N -0.94 -2.58 -2.87 -0.62 5.02 -0.86 -0.08 118.16 115.22 1j89 n LYS 117 Ca -0.06 0.34 -0.38 0.00 -2.02 0.00 0.00 58.31 56.18 1j89 n LYS 117 Cb 0.67 -4.24 -0.06 0.00 -0.02 0.00 0.00 35.03 31.38 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 -3.99 4.26 -0.05 -0.18 1.01 -0.09 -4.35 120.40 117.01 1j89 s VAL 118 Ca 0.05 1.80 -0.02 0.00 0.00 0.00 0.00 61.98 63.81 1j89 s VAL 118 Cb -0.02 -4.13 0.04 0.00 0.00 0.00 0.00 36.38 32.27 1j89 s VAL 118 CO 0.91 0.37 0.11 -0.63 0.00 0.00 0.00 175.10 175.86 1j89 s ILE 119 N -1.34 -0.06 0.13 2.22 1.01 -0.64 -1.06 121.20 121.48 1j89 s ILE 119 Ca 0.42 0.20 -0.01 0.00 0.00 0.00 0.00 60.65 61.26 1j89 s ILE 119 Cb -0.22 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 1j89 s ILE 119 CO 0.27 0.08 0.31 -0.31 0.00 0.00 0.00 174.94 175.29 1j89 s TYR 120 N 1.17 3.49 -0.03 3.97 1.51 -0.92 -0.94 117.35 125.60 1j89 s TYR 120 Ca -0.09 0.31 0.03 0.00 -1.01 0.00 0.00 57.07 56.31 1j89 s TYR 120 Cb -0.12 -1.81 0.00 0.00 -0.11 0.00 0.00 41.96 39.92 1j89 s TYR 120 CO -0.05 0.49 -0.10 0.71 -1.11 0.00 0.00 175.55 175.48 1j89 s TYR 121 N -1.69 1.11 -0.19 2.71 1.51 0.16 -1.30 117.35 119.65 1j89 s TYR 121 Ca 0.37 -0.30 0.01 0.00 -1.01 0.00 0.00 57.07 56.13 1j89 s TYR 121 Cb -0.12 -0.79 0.04 0.00 -0.11 0.00 0.00 41.96 40.98 1j89 s TYR 121 CO 0.28 -0.13 -0.10 0.21 -1.11 0.00 0.00 175.55 174.69 1j89 s LYS 122 N 0.26 2.00 -1.23 -0.62 2.20 -0.90 -1.72 119.74 119.72 1j89 s LYS 122 Ca -0.05 -0.80 -0.00 0.00 -0.36 0.00 0.00 55.97 54.76 1j89 s LYS 122 Cb -0.10 -2.37 0.00 0.00 -1.51 0.00 0.00 37.83 33.85 1j89 s LYS 122 CO 0.01 -0.42 0.91 -0.25 -0.36 0.00 0.00 175.35 175.25 1j89 n ASP 123 N 4.70 -1.79 0.00 1.43 8.00 -0.19 -2.55 116.55 126.16 1j89 n ASP 123 Ca -0.15 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.68 1j89 n ASP 123 Cb 0.47 -4.82 0.00 0.00 -0.02 0.00 0.00 41.12 36.75 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 -1.26 1.15 3.86 0.44 0.00 -1.26 -4.99 105.19 103.13 1j89 n GLY 124 Ca -0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.22 3.61 0.31 1.61 0.41 -1.06 -5.07 118.70 118.29 1j89 s GLU 125 Ca 0.00 0.06 -0.29 0.00 -0.41 0.00 0.00 54.97 54.33 1j89 s GLU 125 Cb 0.00 -3.20 -0.10 0.00 -1.78 0.00 0.00 34.13 29.05 1j89 s GLU 125 CO 0.00 0.75 1.28 0.00 -0.49 0.00 0.00 175.26 176.80 1j89 s ALA 126 N -1.04 3.49 0.10 5.21 0.00 -1.26 -2.13 121.76 126.14 1j89 s ALA 126 Ca 0.18 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1j89 s ALA 126 Cb -0.14 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1j89 s ALA 126 CO 0.07 -0.57 0.00 -0.11 0.00 0.00 0.00 175.76 175.15 1j89 n LEU 127 N 1.07 1.08 -4.21 0.00 7.94 -0.42 -4.87 117.00 117.59 1j89 n LEU 127 Ca 0.01 0.14 -0.14 0.00 -1.11 0.00 0.00 56.01 54.91 1j89 n LEU 127 Cb 0.42 -0.32 -0.10 0.00 0.53 0.00 0.00 43.42 43.95 1j89 n LEU 127 CO 0.58 -0.76 -0.41 -0.54 -1.11 0.00 0.00 177.39 175.16 1j89 s LYS 128 N -1.99 0.94 -0.11 1.96 -0.14 -1.24 -4.97 119.74 114.18 1j89 s LYS 128 Ca 0.00 -1.30 -0.09 0.00 -1.36 0.00 0.00 55.97 53.21 1j89 s LYS 128 Cb 0.00 -0.53 0.03 0.00 -1.68 0.00 0.00 37.83 35.65 1j89 s LYS 128 CO 0.00 0.07 0.30 -0.47 -0.76 0.00 0.00 175.35 174.48 1j89 s TYR 129 N -2.96 -0.34 0.21 3.18 5.04 -1.26 -2.17 117.35 119.05 1j89 s TYR 129 Ca 0.11 0.82 -0.08 0.00 -2.44 0.00 0.00 57.07 55.48 1j89 s TYR 129 Cb 0.00 0.11 -0.02 0.00 0.35 0.00 0.00 41.96 42.41 1j89 s TYR 129 CO -0.00 -0.18 0.32 -1.58 -1.34 0.00 0.00 175.55 172.77 1j89 s TRP 130 N 0.41 0.63 0.00 4.97 0.52 -0.22 -5.01 118.94 120.24 1j89 s TRP 130 Ca -0.02 -0.95 0.00 0.00 0.02 0.00 0.00 56.10 55.15 1j89 s TRP 130 Cb -0.04 -0.11 0.00 0.00 -1.15 0.00 0.00 33.47 32.18 1j89 s TRP 130 CO -0.02 -0.82 0.00 0.98 0.02 0.00 0.00 176.95 177.11 1j89 n TYR 131 N -0.31 0.00 -1.88 -1.98 9.36 -1.26 -0.91 117.16 120.18 1j89 n TYR 131 Ca -0.02 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.78 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 4.19 1.38 2.98 0.41 -1.26 -2.04 118.70 124.36 1j89 s GLU 132 Ca 0.00 2.41 -0.22 0.00 -0.41 0.00 0.00 54.97 56.75 1j89 s GLU 132 Cb 0.00 -3.35 0.35 0.00 -1.78 0.00 0.00 34.13 29.35 1j89 s GLU 132 CO 0.00 -0.70 0.96 0.54 -0.49 0.00 0.00 175.26 175.57 1j89 s ASN 133 N 1.79 -0.72 0.00 -0.19 4.22 -1.15 -4.96 114.94 113.93 1j89 s ASN 133 Ca 0.73 0.89 0.00 0.00 -2.14 0.00 0.00 52.86 52.34 1j89 s ASN 133 Cb -0.43 -1.27 0.00 0.00 1.28 0.00 0.00 41.25 40.82 1j89 s ASN 133 CO 0.32 -5.16 0.00 1.57 -2.04 0.00 0.00 177.10 171.79 1j89 n HIS 134 N -5.50 -0.02 -3.61 1.54 -0.00 -1.26 -5.08 115.22 101.29 1j89 n HIS 134 Ca 0.12 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 58.02 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 -0.09 2.97 -0.52 0.26 0.01 -1.26 -4.46 114.94 111.85 1j89 s ASN 135 Ca 0.00 -3.09 -0.41 0.00 -0.71 0.00 0.00 52.86 48.65 1j89 s ASN 135 Cb 0.00 -0.89 -0.18 0.00 0.41 0.00 0.00 41.25 40.59 1j89 s ASN 135 CO 0.00 -0.18 2.20 0.00 -1.51 0.00 0.00 177.10 177.61 1j89 n ILE 136 N 2.89 0.03 -4.14 0.60 3.06 -1.11 -4.70 119.36 115.99 1j89 n ILE 136 Ca 0.21 -0.05 -0.31 0.00 -2.50 0.00 0.00 62.75 60.10 1j89 n ILE 136 Cb 0.40 -0.71 -0.08 0.00 0.54 0.00 0.00 39.64 39.79 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 6.55 5.13 -0.04 9.51 0.15 -1.26 -1.41 113.70 132.32 1j89 s SER 137 Ca 1.19 -0.12 -0.02 0.00 0.70 0.00 0.00 55.95 57.71 1j89 s SER 137 Cb -1.36 -1.27 0.03 0.00 -1.71 0.00 0.00 66.02 61.71 1j89 s SER 137 CO 0.61 0.19 0.04 -0.63 1.20 0.00 0.00 173.24 174.66 1j89 s ILE 138 N -1.29 0.02 0.00 6.45 1.01 0.20 -4.99 121.20 122.60 1j89 s ILE 138 Ca 0.25 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.23 1j89 s ILE 138 Cb -0.12 -0.24 0.00 0.00 0.01 0.00 0.00 42.46 42.11 1j89 s ILE 138 CO 0.18 0.19 0.00 0.35 0.00 0.00 0.00 174.94 175.66 1j89 n THR 139 N 5.12 0.00 -2.83 2.92 -2.24 -1.26 0.13 114.28 116.12 1j89 n THR 139 Ca -0.07 0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.40 1j89 n THR 139 Cb 0.50 -0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.30 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 -1.46 6.77 -0.19 3.42 3.84 -1.26 -2.30 114.94 123.76 1j89 s ASN 140 Ca 0.00 0.81 -0.14 0.00 0.21 0.00 0.00 52.86 53.74 1j89 s ASN 140 Cb 0.00 -2.46 -0.04 0.00 -0.55 0.00 0.00 41.25 38.20 1j89 s ASN 140 CO 0.00 -0.71 0.31 0.00 -2.79 0.00 0.00 177.10 173.92 1j89 s ALA 141 N 3.20 3.58 0.35 1.71 0.00 -0.42 -4.88 121.76 125.29 1j89 s ALA 141 Ca 0.37 -0.56 -0.00 0.00 0.00 0.00 0.00 51.96 51.77 1j89 s ALA 141 Cb -0.13 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.47 1j89 s ALA 141 CO 0.13 -0.12 0.57 0.99 0.00 0.00 0.00 175.76 177.33 1j89 s THR 142 N 0.91 5.09 0.02 0.00 2.01 -1.26 0.21 115.64 122.62 1j89 s THR 142 Ca 0.16 -0.37 0.24 0.00 0.31 0.00 0.00 61.69 62.03 1j89 s THR 142 Cb -0.14 -3.85 0.24 0.00 0.01 0.00 0.00 72.50 68.76 1j89 s THR 142 CO 0.06 -0.56 1.76 1.62 -0.69 0.00 0.00 174.62 176.80 1j89 h VAL 143 N 0.77 0.47 0.00 3.82 3.04 -1.95 -2.41 116.25 119.98 1j89 h VAL 143 Ca -0.49 -1.21 0.00 0.00 -1.01 0.00 0.00 66.70 63.98 1j89 h VAL 143 Cb 1.21 1.87 0.00 0.00 -2.01 0.00 0.00 31.29 32.37 1j89 h VAL 143 CO 0.62 0.21 0.00 -0.62 -1.01 0.00 0.00 177.57 176.77 1j89 n GLU 144 N -3.29 0.07 0.14 4.17 4.71 -1.26 -2.17 120.64 123.01 1j89 n GLU 144 Ca 0.01 0.27 0.13 0.00 -0.01 0.00 0.00 57.16 57.55 1j89 n GLU 144 Cb 0.48 -1.63 0.48 0.00 -1.01 0.00 0.00 31.44 29.76 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 -2.87 1.62 3.32 -1.83 -3.44 116.42 113.22 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 0.34 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.91 1j89 h ASP 145 CO 0.00 0.00 0.84 -0.44 -1.72 0.00 0.00 179.24 177.92 1j89 s SER 146 N -4.49 6.73 0.00 6.45 0.01 -0.92 -4.92 113.70 116.56 1j89 s SER 146 Ca 0.06 2.38 0.00 0.00 1.31 0.00 0.00 55.95 59.70 1j89 s SER 146 Cb 0.10 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1j89 s SER 146 CO 0.47 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1j89 n GLY 147 N 3.70 -0.66 3.15 3.44 0.00 -0.56 -4.98 105.19 109.28 1j89 n GLY 147 Ca 0.13 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.00 2.64 0.33 2.61 -4.23 -1.26 0.29 115.64 113.02 1j89 s THR 148 Ca 0.00 -1.29 0.07 0.00 -1.18 0.00 0.00 61.69 59.29 1j89 s THR 148 Cb 0.00 -2.43 -0.02 0.00 1.34 0.00 0.00 72.50 71.39 1j89 s THR 148 CO 0.00 0.08 0.34 -0.31 -0.54 0.00 0.00 174.62 174.20 1j89 s TYR 149 N 1.24 2.98 -0.12 3.99 1.51 0.15 -1.03 117.35 126.07 1j89 s TYR 149 Ca -0.03 -0.27 -0.31 0.00 -1.01 0.00 0.00 57.07 55.45 1j89 s TYR 149 Cb -0.18 -1.84 0.13 0.00 -0.11 0.00 0.00 41.96 39.95 1j89 s TYR 149 CO -0.04 0.14 1.04 1.52 -1.11 0.00 0.00 175.55 177.09 1j89 s TYR 150 N -2.26 -0.28 0.20 2.71 -0.85 -0.70 0.19 117.35 116.36 1j89 s TYR 150 Ca 0.42 0.32 0.07 0.00 -0.52 0.00 0.00 57.07 57.35 1j89 s TYR 150 Cb -0.07 0.50 -0.05 0.00 0.38 0.00 0.00 41.96 42.72 1j89 s TYR 150 CO 0.28 -0.36 -0.13 0.00 -1.52 0.00 0.00 175.55 173.82 1j89 s THR 152 N -3.05 1.05 0.12 0.00 -4.23 -0.12 -1.66 115.64 107.76 1j89 s THR 152 Ca 0.22 -1.04 -0.26 0.00 -1.18 0.00 0.00 61.69 59.43 1j89 s THR 152 Cb 0.00 -0.97 0.07 0.00 1.34 0.00 0.00 72.50 72.94 1j89 s THR 152 CO 0.06 -0.06 0.97 -0.83 -0.54 0.00 0.00 174.62 174.22 1j89 s GLY 153 N -1.25 -0.27 -0.26 3.99 0.00 -0.88 -1.62 107.32 107.03 1j89 s GLY 153 Ca 0.00 0.27 -0.08 0.00 0.00 0.00 0.00 44.72 44.91 1j89 s GLY 153 CO 0.01 0.05 0.10 1.25 0.00 0.00 0.00 173.10 174.51 1j89 s LYS 154 N -3.22 3.69 -0.17 2.90 2.20 0.88 -1.17 119.74 124.85 1j89 s LYS 154 Ca 0.11 -0.46 -0.05 0.00 -0.36 0.00 0.00 55.97 55.21 1j89 s LYS 154 Cb -0.01 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.88 1j89 s LYS 154 CO 0.00 -0.20 -0.01 0.08 -0.36 0.00 0.00 175.35 174.87 1j89 s VAL 155 N 1.64 4.12 0.00 4.02 1.01 0.06 -1.21 120.40 130.04 1j89 s VAL 155 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1j89 s VAL 155 Cb -0.15 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1j89 s VAL 155 CO 0.05 0.47 0.00 0.79 0.00 0.00 0.00 175.10 176.41 1j89 n TRP 156 N 3.69 0.00 -2.09 5.22 7.02 -1.26 -0.97 117.44 129.06 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 0.01 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 0.03 -4.21 -0.99 1.13 -1.26 -5.06 117.38 107.02 1j89 n GLN 157 Ca 0.00 -1.26 -0.18 0.00 -1.94 0.00 0.00 57.00 53.62 1j89 n GLN 157 Cb 0.00 -0.42 -0.11 0.00 0.11 0.00 0.00 30.24 29.82 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 -0.07 2.35 0.21 1.08 1.43 -0.14 -5.13 118.68 118.41 1j89 s LEU 158 Ca 0.08 -0.73 -0.14 0.00 -1.03 0.00 0.00 54.13 52.32 1j89 s LEU 158 Cb 0.09 -0.54 -0.08 0.00 0.03 0.00 0.00 46.19 45.70 1j89 s LEU 158 CO -0.04 -0.11 0.61 -1.81 0.23 0.00 0.00 176.35 175.23 1j89 s ASP 159 N -2.13 6.80 -0.02 2.29 1.01 -1.26 -0.76 116.67 122.60 1j89 s ASP 159 Ca 0.04 1.13 -0.09 0.00 0.71 0.00 0.00 52.55 54.34 1j89 s ASP 159 Cb -0.07 -2.31 0.01 0.00 1.01 0.00 0.00 42.92 41.56 1j89 s ASP 159 CO 0.03 -0.01 0.18 -0.31 0.21 0.00 0.00 175.17 175.27 1j89 s TYR 160 N -1.65 -0.06 0.02 4.23 1.51 -0.31 -4.95 117.35 116.14 1j89 s TYR 160 Ca 0.44 0.09 0.04 0.00 -1.01 0.00 0.00 57.07 56.63 1j89 s TYR 160 Cb -0.13 0.01 -0.03 0.00 -0.11 0.00 0.00 41.96 41.69 1j89 s TYR 160 CO 0.20 -0.26 -0.07 -2.00 -1.11 0.00 0.00 175.55 172.30 1j89 s GLU 161 N -1.04 2.48 0.37 -0.62 2.12 -1.26 -2.08 118.70 118.67 1j89 s GLU 161 Ca -0.11 -0.78 0.02 0.00 0.36 0.00 0.00 54.97 54.46 1j89 s GLU 161 Cb -0.06 -2.47 -0.02 0.00 0.26 0.00 0.00 34.13 31.84 1j89 s GLU 161 CO 0.02 0.58 0.56 -1.54 -0.54 0.00 0.00 175.26 174.34 1j89 s SER 162 N -1.58 6.11 0.55 -1.70 1.04 -0.66 -4.68 113.70 112.77 1j89 s SER 162 Ca 0.18 0.28 -0.20 0.00 0.48 0.00 0.00 55.95 56.69 1j89 s SER 162 Cb -0.11 -1.76 -0.05 0.00 0.10 0.00 0.00 66.02 64.20 1j89 s SER 162 CO 0.09 -0.42 1.21 -1.61 0.98 0.00 0.00 173.24 173.49 1j89 s GLU 163 N -4.34 3.24 0.29 4.02 0.41 -1.26 -4.69 118.70 116.37 1j89 s GLU 163 Ca 0.43 1.85 -0.28 0.00 -0.41 0.00 0.00 54.97 56.56 1j89 s GLU 163 Cb -0.10 -2.10 -0.09 0.00 -1.78 0.00 0.00 34.13 30.05 1j89 s GLU 163 CO 0.35 -1.00 0.97 -1.25 -0.49 0.00 0.00 175.26 173.84 1j89 s PRO 164 N -3.10 4.68 -0.07 0.39 0.04 -1.26 -4.62 135.00 131.06 1j89 s PRO 164 Ca 0.73 1.46 0.02 0.00 0.04 0.00 0.00 61.00 63.25 1j89 s PRO 164 Cb -0.31 -3.03 0.01 0.00 0.04 0.00 0.00 34.50 31.22 1j89 s PRO 164 CO 0.35 0.34 -0.14 -1.17 0.04 0.00 0.00 177.00 176.43 1j89 s LEU 165 N -1.66 1.70 0.20 -3.56 2.96 0.50 -4.94 118.68 113.87 1j89 s LEU 165 Ca 0.46 -0.33 -0.21 0.00 -0.22 0.00 0.00 54.13 53.83 1j89 s LEU 165 Cb -0.23 -0.89 -0.08 0.00 0.50 0.00 0.00 46.19 45.48 1j89 s LEU 165 CO 0.29 0.05 0.73 0.20 -1.32 0.00 0.00 176.35 176.30 1j89 s ASN 166 N 0.62 7.15 -0.02 3.68 0.01 -1.26 0.33 114.94 125.44 1j89 s ASN 166 Ca -0.15 1.47 -0.00 0.00 -0.71 0.00 0.00 52.86 53.47 1j89 s ASN 166 Cb -0.16 -2.44 0.03 0.00 0.41 0.00 0.00 41.25 39.09 1j89 s ASN 166 CO 0.04 0.09 0.03 -0.63 -1.51 0.00 0.00 177.10 175.13 1j89 s ILE 167 N -1.40 -0.05 -0.12 0.60 1.01 0.15 -4.95 121.20 116.44 1j89 s ILE 167 Ca 0.40 0.19 0.01 0.00 0.00 0.00 0.00 60.65 61.26 1j89 s ILE 167 Cb -0.19 -0.07 0.02 0.00 0.01 0.00 0.00 42.46 42.23 1j89 s ILE 167 CO 0.22 0.08 -0.15 -0.89 0.00 0.00 0.00 174.94 174.20 1j89 s THR 168 N 0.93 1.53 -0.34 2.92 2.01 -0.61 -1.50 115.64 120.58 1j89 s THR 168 Ca -0.08 -0.65 -0.08 0.00 0.31 0.00 0.00 61.69 61.19 1j89 s THR 168 Cb -0.11 -1.40 0.02 0.00 0.01 0.00 0.00 72.50 71.02 1j89 s THR 168 CO -0.03 0.45 0.14 -0.69 -0.69 0.00 0.00 174.62 173.80 1j89 s VAL 169 N 1.07 4.17 0.38 3.82 1.01 -1.26 0.28 120.40 129.87 1j89 s VAL 169 Ca -0.05 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.11 1j89 s VAL 169 Cb -0.15 -3.28 -0.00 0.00 0.00 0.00 0.00 36.38 32.95 1j89 s VAL 169 CO -0.03 -0.12 0.55 0.27 0.00 0.00 0.00 175.10 175.77 1j89 s ILE 170 N 1.50 3.89 -0.16 2.22 -4.36 0.19 -4.79 121.20 119.68 1j89 s ILE 170 Ca 0.01 -0.85 0.01 0.00 -0.26 0.00 0.00 60.65 59.57 1j89 s ILE 170 Cb -0.19 -3.37 0.01 0.00 1.25 0.00 0.00 42.46 40.16 1j89 s ILE 170 CO 0.04 -0.18 0.54 2.29 0.24 0.00 0.00 174.94 177.87