#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q98 s VAL 3 N 0.00 4.93 0.16 12.58 1.01 -1.26 -4.90 120.40 132.92 1q98 s VAL 3 Ca 0.00 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.45 1q98 s VAL 3 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1q98 s VAL 3 CO 0.00 0.14 -0.11 0.42 0.00 0.00 0.00 175.10 175.55 1q98 s THR 4 N -1.44 1.29 -0.23 3.92 -4.23 0.36 -0.65 115.64 114.67 1q98 s THR 4 Ca 0.32 -2.08 -0.01 0.00 -1.18 0.00 0.00 61.69 58.74 1q98 s THR 4 Cb -0.13 -1.88 0.07 0.00 1.34 0.00 0.00 72.50 71.90 1q98 s THR 4 CO 0.24 -0.71 -0.00 -0.22 -0.54 0.00 0.00 174.62 173.39 1q98 s LEU 5 N -3.18 2.13 -1.46 4.79 2.96 0.11 -2.43 118.68 121.60 1q98 s LEU 5 Ca 0.18 -1.14 -0.12 0.00 -0.22 0.00 0.00 54.13 52.83 1q98 s LEU 5 Cb 0.02 -0.96 0.05 0.00 0.50 0.00 0.00 46.19 45.80 1q98 s LEU 5 CO 0.02 -0.29 1.07 0.00 -1.32 0.00 0.00 176.35 175.83 1q98 n ALA 6 N 4.81 -1.30 0.00 5.97 0.00 -1.26 -2.23 120.51 126.50 1q98 n ALA 6 Ca -0.09 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1q98 n ALA 6 Cb 0.45 -4.91 0.00 0.00 0.00 0.00 0.00 19.45 14.99 1q98 n ALA 6 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q98 n GLY 7 N -1.83 2.45 3.64 0.00 0.00 -1.26 -4.98 105.19 103.21 1q98 n GLY 7 Ca 0.03 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1q98 n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1q98 s ASN 8 N 0.00 6.23 0.29 1.61 0.01 -0.94 -4.88 114.94 117.26 1q98 s ASN 8 Ca 0.00 2.29 -0.29 0.00 -0.71 0.00 0.00 52.86 54.15 1q98 s ASN 8 Cb 0.00 -2.53 -0.10 0.00 0.41 0.00 0.00 41.25 39.04 1q98 s ASN 8 CO 0.00 -1.28 1.30 -2.16 -1.51 0.00 0.00 177.10 173.44 1q98 s PRO 9 N 4.89 4.39 0.04 -0.60 0.04 -1.26 0.08 135.00 142.58 1q98 s PRO 9 Ca 0.87 2.15 0.07 0.00 0.04 0.00 0.00 61.00 64.13 1q98 s PRO 9 Cb -0.37 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.03 1q98 s PRO 9 CO 0.37 -0.18 -0.19 0.96 0.04 0.00 0.00 177.00 178.00 1q98 s ILE 10 N -0.77 2.73 -0.10 0.56 -4.36 0.18 -4.84 121.20 114.60 1q98 s ILE 10 Ca 0.51 -1.21 -0.26 0.00 -0.26 0.00 0.00 60.65 59.42 1q98 s ILE 10 Cb -0.38 -2.14 -0.02 0.00 1.25 0.00 0.00 42.46 41.16 1q98 s ILE 10 CO 0.48 0.33 0.84 -1.61 0.24 0.00 0.00 174.94 175.22 1q98 s GLU 11 N -1.43 4.41 -0.24 0.37 0.41 -1.26 -4.07 118.70 116.88 1q98 s GLU 11 Ca 0.14 1.10 0.03 0.00 -0.41 0.00 0.00 54.97 55.83 1q98 s GLU 11 Cb -0.10 -3.51 0.05 0.00 -1.78 0.00 0.00 34.13 28.79 1q98 s GLU 11 CO 0.05 -0.16 -0.12 0.08 -0.49 0.00 0.00 175.26 174.62 1q98 s VAL 12 N 1.51 2.11 0.59 2.63 1.01 -1.26 -0.71 120.40 126.28 1q98 s VAL 12 Ca 0.42 -1.48 -0.07 0.00 0.00 0.00 0.00 61.98 60.85 1q98 s VAL 12 Cb -0.18 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.03 1q98 s VAL 12 CO 0.18 0.07 0.92 -0.83 0.00 0.00 0.00 175.10 175.44 1q98 s GLY 13 N 1.15 1.59 0.00 4.51 0.00 0.25 -4.82 107.32 110.00 1q98 s GLY 13 Ca -0.06 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.09 1q98 s GLY 13 CO -0.07 -0.30 0.00 0.61 0.00 0.00 0.00 173.10 173.35 1q98 n GLY 14 N -2.60 1.20 3.51 0.20 0.00 -1.26 -2.73 105.19 103.52 1q98 n GLY 14 Ca 0.04 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 1q98 n GLY 14 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1q98 s HIS 15 N -2.38 3.15 0.03 1.61 2.46 -1.24 -4.60 115.29 114.31 1q98 s HIS 15 Ca 0.00 -0.14 -0.30 0.00 0.47 0.00 0.00 55.06 55.09 1q98 s HIS 15 Cb 0.00 -2.98 -0.05 0.00 -0.13 0.00 0.00 32.58 29.41 1q98 s HIS 15 CO 0.00 -0.67 1.29 0.12 -2.47 0.00 0.00 174.74 173.01 1q98 s PHE 16 N 2.34 3.18 0.18 3.88 5.36 -1.26 -3.35 117.98 128.30 1q98 s PHE 16 Ca 0.16 1.08 -0.33 0.00 -0.96 0.00 0.00 56.93 56.88 1q98 s PHE 16 Cb -0.16 -3.54 -0.13 0.00 -0.34 0.00 0.00 43.02 38.85 1q98 s PHE 16 CO 0.15 -1.82 1.60 -2.30 -1.46 0.00 0.00 175.22 171.38 1q98 n PRO 17 N 4.63 2.30 -4.16 10.12 -0.02 -1.26 -4.99 135.00 141.62 1q98 n PRO 17 Ca 0.11 0.83 -0.23 0.00 -2.02 0.00 0.00 63.50 62.19 1q98 n PRO 17 Cb 0.45 -2.61 -0.07 0.00 -0.02 0.00 0.00 33.50 31.26 1q98 n PRO 17 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1q98 s GLN 18 N 0.85 2.37 0.32 -0.52 -1.52 -1.26 -4.77 119.66 115.13 1q98 s GLN 18 Ca 0.77 -1.50 -0.29 0.00 -1.95 0.00 0.00 55.36 52.39 1q98 s GLN 18 Cb -0.63 -2.18 -0.11 0.00 -0.22 0.00 0.00 33.01 29.87 1q98 s GLN 18 CO 0.38 0.20 1.52 0.54 -0.25 0.00 0.00 175.29 177.67 1q98 s VAL 19 N -2.39 2.15 0.00 1.09 0.11 -1.26 -2.19 120.40 117.91 1q98 s VAL 19 Ca 0.36 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.54 1q98 s VAL 19 Cb -0.04 -3.09 0.00 0.00 -1.53 0.00 0.00 36.38 31.73 1q98 s VAL 19 CO 0.22 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.63 1q98 n GLY 20 N 1.45 0.83 3.32 6.54 0.00 -1.23 -5.02 105.19 111.08 1q98 n GLY 20 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 1q98 n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q98 s GLU 21 N -0.92 1.23 -0.17 1.61 2.02 -0.93 -4.98 118.70 116.56 1q98 s GLU 21 Ca 0.00 -1.39 -0.05 0.00 0.02 0.00 0.00 54.97 53.55 1q98 s GLU 21 Cb 0.00 -1.23 -0.03 0.00 0.10 0.00 0.00 34.13 32.97 1q98 s GLU 21 CO 0.00 0.24 -0.01 0.42 0.02 0.00 0.00 175.26 175.93 1q98 s ILE 22 N -2.16 4.13 -0.04 -1.63 1.01 -1.26 -0.75 121.20 120.50 1q98 s ILE 22 Ca 0.15 -0.27 -0.24 0.00 0.00 0.00 0.00 60.65 60.29 1q98 s ILE 22 Cb -0.05 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 1q98 s ILE 22 CO 0.06 0.48 0.71 -0.69 0.00 0.00 0.00 174.94 175.50 1q98 s VAL 23 N 0.40 4.97 0.54 2.92 1.01 0.13 -4.99 120.40 125.38 1q98 s VAL 23 Ca -0.02 1.49 -0.15 0.00 0.00 0.00 0.00 61.98 63.30 1q98 s VAL 23 Cb -0.14 -4.06 -0.07 0.00 0.00 0.00 0.00 36.38 32.12 1q98 s VAL 23 CO 0.02 0.28 0.99 -1.61 0.00 0.00 0.00 175.10 174.79 1q98 s GLU 24 N 0.57 3.85 0.65 2.72 2.02 -1.26 -4.86 118.70 122.38 1q98 s GLU 24 Ca 0.38 0.88 -0.18 0.00 0.02 0.00 0.00 54.97 56.07 1q98 s GLU 24 Cb -0.18 -2.13 -0.02 0.00 0.10 0.00 0.00 34.13 31.90 1q98 s GLU 24 CO 0.19 -0.35 1.16 -1.71 0.02 0.00 0.00 175.26 174.57 1q98 n ASN 25 N -1.91 1.50 -3.79 -0.19 5.15 -1.26 -5.00 115.26 109.76 1q98 n ASN 25 Ca 0.06 0.80 -0.10 0.00 -0.60 0.00 0.00 54.58 54.74 1q98 n ASN 25 Cb 0.54 -1.49 -0.07 0.00 -0.53 0.00 0.00 39.78 38.23 1q98 n ASN 25 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1q98 s PHE 26 N -1.48 -0.01 -0.14 1.20 -0.12 -1.26 -4.96 117.98 111.21 1q98 s PHE 26 Ca 0.80 -0.27 0.02 0.00 -0.05 0.00 0.00 56.93 57.43 1q98 s PHE 26 Cb -0.39 0.04 0.01 0.00 -0.63 0.00 0.00 43.02 42.06 1q98 s PHE 26 CO 0.43 -0.53 -0.21 0.42 -0.05 0.00 0.00 175.22 175.28 1q98 s ILE 27 N -3.15 1.98 0.21 -4.49 1.01 -1.26 -0.95 121.20 114.56 1q98 s ILE 27 Ca -0.01 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1q98 s ILE 27 Cb 0.01 -1.77 -0.00 0.00 0.01 0.00 0.00 42.46 40.71 1q98 s ILE 27 CO -0.07 0.53 0.01 0.18 0.00 0.00 0.00 174.94 175.59 1q98 n LEU 28 N 4.21 0.00 -4.30 2.97 4.77 0.17 -4.81 117.00 120.01 1q98 n LEU 28 Ca -0.20 -1.38 -0.33 0.00 -0.03 0.00 0.00 56.01 54.08 1q98 n LEU 28 Cb 0.51 0.21 -0.15 0.00 -2.33 0.00 0.00 43.42 41.66 1q98 n LEU 28 CO 0.26 -0.20 -0.49 -0.69 -1.33 0.00 0.00 177.39 174.94 1q98 s VAL 29 N -1.87 2.64 0.85 4.08 1.01 -0.65 0.27 120.40 126.72 1q98 s VAL 29 Ca 0.02 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 1q98 s VAL 29 Cb 0.00 -2.08 0.14 0.00 0.00 0.00 0.00 36.38 34.45 1q98 s VAL 29 CO 0.01 0.54 1.19 -0.83 0.00 0.00 0.00 175.10 176.00 1q98 s GLY 30 N 0.40 1.73 0.59 4.51 0.00 0.53 -0.13 107.32 114.97 1q98 s GLY 30 Ca -0.13 -1.15 0.29 0.00 0.00 0.00 0.00 44.72 43.74 1q98 s GLY 30 CO 0.06 -0.53 2.16 3.43 0.00 0.00 0.00 173.10 178.22 1q98 h ASN 31 N -1.16 0.00 -0.51 1.64 2.35 -1.87 0.28 115.58 116.30 1q98 h ASN 31 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1q98 h ASN 31 Cb 1.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.64 1q98 h ASN 31 CO 0.47 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 175.35 1q98 n ASP 32 N -3.78 3.04 -0.10 5.81 5.75 -1.26 -4.75 116.55 121.25 1q98 n ASP 32 Ca -0.00 -2.09 -0.01 0.00 -0.01 0.00 0.00 54.79 52.67 1q98 n ASP 32 Cb 0.24 -0.39 -0.01 0.00 -1.03 0.00 0.00 41.12 39.93 1q98 n ASP 32 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1q98 n LEU 33 N 0.96 0.29 -4.87 -2.12 4.77 0.09 -5.01 117.00 111.10 1q98 n LEU 33 Ca 0.18 0.03 -0.32 0.00 -0.03 0.00 0.00 56.01 55.87 1q98 n LEU 33 Cb 0.51 -1.41 -0.05 0.00 -2.33 0.00 0.00 43.42 40.13 1q98 n LEU 33 CO 0.14 -0.45 0.23 0.00 -1.33 0.00 0.00 177.39 175.97 1q98 s ALA 34 N -1.67 3.56 0.39 -1.18 0.00 -1.26 -4.78 121.76 116.82 1q98 s ALA 34 Ca 0.00 -0.25 -0.26 0.00 0.00 0.00 0.00 51.96 51.46 1q98 s ALA 34 Cb 0.00 -2.46 -0.09 0.00 0.00 0.00 0.00 23.12 20.58 1q98 s ALA 34 CO 0.00 0.50 1.17 -0.51 0.00 0.00 0.00 175.76 176.92 1q98 s ASP 35 N -2.30 6.59 -0.09 0.00 1.01 -1.26 -0.34 116.67 120.28 1q98 s ASP 35 Ca 0.47 2.35 0.01 0.00 0.71 0.00 0.00 52.55 56.09 1q98 s ASP 35 Cb -0.11 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.22 1q98 s ASP 35 CO 0.21 -0.63 -0.08 -0.69 0.21 0.00 0.00 175.17 174.19 1q98 s VAL 36 N -1.39 0.94 0.13 -1.27 1.01 0.14 -4.80 120.40 115.16 1q98 s VAL 36 Ca 0.56 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 62.31 1q98 s VAL 36 Cb -0.31 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1q98 s VAL 36 CO 0.39 0.33 -0.02 0.00 0.00 0.00 0.00 175.10 175.80 1q98 s ALA 37 N 1.29 3.17 0.27 5.51 0.00 -1.26 0.42 121.76 131.16 1q98 s ALA 37 Ca -0.03 -1.27 -0.02 0.00 0.00 0.00 0.00 51.96 50.63 1q98 s ALA 37 Cb -0.14 -1.03 0.41 0.00 0.00 0.00 0.00 23.12 22.37 1q98 s ALA 37 CO -0.03 0.58 1.89 1.25 0.00 0.00 0.00 175.76 179.45 1q98 h LEU 38 N 3.11 1.04 -1.56 0.00 6.46 -1.42 -0.12 115.31 122.83 1q98 h LEU 38 Ca -0.48 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.29 1q98 h LEU 38 Cb 1.18 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.90 1q98 h LEU 38 CO 0.57 0.67 0.00 0.78 -0.62 0.00 0.00 178.44 179.84 1q98 h ASN 39 N 1.18 0.00 0.44 1.25 4.21 -1.95 -2.16 115.58 118.55 1q98 h ASN 39 Ca 0.43 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.94 1q98 h ASN 39 Cb 0.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 1q98 h ASN 39 CO -0.17 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 176.44 1q98 n ASP 40 N -2.48 0.43 -1.92 5.81 8.00 -0.06 -2.12 116.55 124.21 1q98 n ASP 40 Ca -0.01 0.63 -0.19 0.00 0.71 0.00 0.00 54.79 55.94 1q98 n ASP 40 Cb 0.11 -0.72 0.04 0.00 -0.02 0.00 0.00 41.12 40.54 1q98 n ASP 40 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1q98 n PHE 41 N -2.01 2.33 -1.73 1.24 3.01 -0.81 -5.06 117.46 114.43 1q98 n PHE 41 Ca 0.01 -2.12 -0.40 0.00 1.01 0.00 0.00 57.45 55.95 1q98 n PHE 41 Cb 0.15 -0.32 0.02 0.00 -0.01 0.00 0.00 39.48 39.32 1q98 n PHE 41 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1q98 n ALA 42 N -0.74 1.58 -0.95 4.37 0.00 -0.90 -2.46 120.51 121.42 1q98 n ALA 42 Ca 0.38 0.22 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1q98 n ALA 42 Cb 0.93 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 18.06 1q98 n ALA 42 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1q98 n SER 43 N -0.23 -2.40 -4.62 0.00 3.41 -1.25 -5.02 113.62 103.51 1q98 n SER 43 Ca 0.07 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.44 1q98 n SER 43 Cb 0.42 -1.12 -0.08 0.00 -0.26 0.00 0.00 64.21 63.17 1q98 n SER 43 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1q98 s LYS 44 N -0.47 2.21 0.48 4.33 1.02 -1.03 -4.79 119.74 121.50 1q98 s LYS 44 Ca 0.00 -1.41 -0.13 0.00 0.02 0.00 0.00 55.97 54.45 1q98 s LYS 44 Cb 0.00 -2.13 -0.07 0.00 -0.52 0.00 0.00 37.83 35.11 1q98 s LYS 44 CO 0.00 0.38 0.89 1.03 -0.92 0.00 0.00 175.35 176.73 1q98 s ARG 45 N -3.50 3.82 0.03 1.68 3.00 0.41 -4.06 118.95 120.33 1q98 s ARG 45 Ca 0.30 0.69 0.02 0.00 0.00 0.00 0.00 55.73 56.74 1q98 s ARG 45 Cb -0.07 -2.25 -0.02 0.00 0.00 0.00 0.00 34.95 32.61 1q98 s ARG 45 CO 0.19 -0.20 -0.08 0.15 0.00 0.00 0.00 175.30 175.36 1q98 s LYS 46 N -4.14 0.54 -0.20 3.54 3.01 -0.69 -0.78 119.74 121.03 1q98 s LYS 46 Ca 0.55 -0.65 0.01 0.00 -1.01 0.00 0.00 55.97 54.87 1q98 s LYS 46 Cb -0.10 -0.37 0.04 0.00 -1.01 0.00 0.00 37.83 36.38 1q98 s LYS 46 CO 0.35 0.08 -0.13 0.08 0.51 0.00 0.00 175.35 176.24 1q98 s VAL 47 N -1.09 1.79 -0.44 3.17 1.01 0.17 -0.83 120.40 124.17 1q98 s VAL 47 Ca -0.07 -1.05 -0.19 0.00 0.00 0.00 0.00 61.98 60.68 1q98 s VAL 47 Cb -0.08 -1.80 0.03 0.00 0.00 0.00 0.00 36.38 34.52 1q98 s VAL 47 CO 0.00 0.24 0.53 -0.76 0.00 0.00 0.00 175.10 175.11 1q98 s LEU 48 N 1.34 4.80 -0.57 3.92 1.43 0.14 -0.19 118.68 129.55 1q98 s LEU 48 Ca -0.01 -0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 52.34 1q98 s LEU 48 Cb -0.16 -2.49 0.15 0.00 0.03 0.00 0.00 46.19 43.72 1q98 s LEU 48 CO -0.09 -0.69 0.47 0.21 0.23 0.00 0.00 176.35 176.48 1q98 s ASN 49 N 2.04 5.97 -0.20 2.29 3.84 0.72 -0.95 114.94 128.65 1q98 s ASN 49 Ca 0.15 -2.14 -0.16 0.00 0.21 0.00 0.00 52.86 50.92 1q98 s ASN 49 Cb -0.17 -2.08 -0.04 0.00 -0.55 0.00 0.00 41.25 38.41 1q98 s ASN 49 CO 0.15 -0.67 0.39 -0.63 -2.79 0.00 0.00 177.10 173.54 1q98 s ILE 50 N 1.02 5.20 -0.02 -5.21 1.01 0.29 -0.55 121.20 122.94 1q98 s ILE 50 Ca 0.09 0.69 0.06 0.00 0.00 0.00 0.00 60.65 61.49 1q98 s ILE 50 Cb -0.23 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 1q98 s ILE 50 CO -0.02 0.25 -0.21 -0.36 0.00 0.00 0.00 174.94 174.60 1q98 s PHE 51 N 1.32 1.89 0.34 3.97 0.40 0.20 -1.64 117.98 124.46 1q98 s PHE 51 Ca 0.19 -0.36 0.04 0.00 -0.60 0.00 0.00 56.93 56.20 1q98 s PHE 51 Cb -0.15 -1.21 0.66 0.00 0.51 0.00 0.00 43.02 42.83 1q98 s PHE 51 CO 0.08 -0.03 1.93 -1.35 0.70 0.00 0.00 175.22 176.54 1q98 h PRO 52 N 5.62 0.84 -1.74 0.24 0.11 -1.69 -3.40 132.00 131.98 1q98 h PRO 52 Ca -0.39 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.69 1q98 h PRO 52 Cb 1.14 -0.19 -0.24 0.00 0.11 0.00 0.00 31.00 31.82 1q98 h PRO 52 CO 0.48 0.56 0.35 0.45 -0.21 0.00 0.00 178.00 179.62 1q98 s SER 53 N -6.08 -0.55 -0.18 -2.05 0.15 -1.26 -4.41 113.70 99.32 1q98 s SER 53 Ca -0.10 1.02 0.16 0.00 0.70 0.00 0.00 55.95 57.73 1q98 s SER 53 Cb 0.20 1.02 0.59 0.00 -1.71 0.00 0.00 66.02 66.12 1q98 s SER 53 CO 0.79 -0.21 1.49 2.30 1.20 0.00 0.00 173.24 178.81 1q98 n ILE 54 N 2.23 2.33 -2.40 6.45 -5.35 -1.26 -4.46 119.36 116.90 1q98 n ILE 54 Ca -0.13 -1.73 -0.13 0.00 -0.27 0.00 0.00 62.75 60.49 1q98 n ILE 54 Cb 0.56 -0.22 0.03 0.00 -1.74 0.00 0.00 39.64 38.27 1q98 n ILE 54 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1q98 n ASP 55 N -0.18 3.38 0.03 7.28 4.64 -1.26 -4.43 116.55 126.01 1q98 n ASP 55 Ca 0.22 -2.96 0.14 0.00 -1.38 0.00 0.00 54.79 50.81 1q98 n ASP 55 Cb 0.94 -0.41 0.54 0.00 -1.04 0.00 0.00 41.12 41.16 1q98 n ASP 55 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1q98 n THR 56 N -0.65 0.15 0.00 5.18 -2.24 -1.26 -4.90 114.28 110.55 1q98 n THR 56 Ca 0.27 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1q98 n THR 56 Cb 0.89 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1q98 n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q98 n GLY 57 N 1.45 2.84 3.11 3.38 0.00 -1.26 -4.99 105.19 109.72 1q98 n GLY 57 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1q98 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q98 s VAL 58 N -2.30 2.52 -0.27 1.61 1.01 -1.26 -5.08 120.40 116.63 1q98 s VAL 58 Ca 0.00 -1.56 0.01 0.00 0.00 0.00 0.00 61.98 60.43 1q98 s VAL 58 Cb 0.00 -2.48 0.05 0.00 0.00 0.00 0.00 36.38 33.95 1q98 s VAL 58 CO 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 175.10 174.94 1q98 s ALA 60 N 1.18 3.39 0.51 0.00 0.00 -1.26 -4.92 121.76 120.65 1q98 s ALA 60 Ca -0.06 0.85 0.27 0.00 0.00 0.00 0.00 51.96 53.02 1q98 s ALA 60 Cb -0.19 -3.34 1.59 0.00 0.00 0.00 0.00 23.12 21.18 1q98 s ALA 60 CO -0.04 -0.19 2.16 1.15 0.00 0.00 0.00 175.76 178.84 1q98 h THR 61 N 3.49 0.61 0.00 0.00 2.02 -1.99 -0.69 112.91 116.35 1q98 h THR 61 Ca -0.45 -0.25 -0.05 0.00 0.77 0.00 0.00 66.41 66.43 1q98 h THR 61 Cb 1.21 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 1q98 h THR 61 CO 0.70 0.06 -0.23 0.77 0.37 0.00 0.00 175.52 177.20 1q98 h SER 62 N 0.00 0.00 -0.11 4.18 4.64 -1.99 0.48 113.55 120.76 1q98 h SER 62 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1q98 h SER 62 Cb 0.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1q98 h SER 62 CO 0.01 0.23 -0.05 0.58 -0.87 0.00 0.00 176.83 176.73 1q98 h VAL 63 N 0.00 1.31 -0.63 0.95 2.07 -1.51 -2.64 116.25 115.81 1q98 h VAL 63 Ca -0.00 -1.05 -0.08 0.00 0.82 0.00 0.00 66.70 66.38 1q98 h VAL 63 Cb 0.42 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1q98 h VAL 63 CO 0.03 0.30 0.09 -0.09 0.02 0.00 0.00 177.57 177.92 1q98 h ARG 64 N -0.13 1.06 -0.44 1.57 2.43 -1.45 -2.99 114.38 114.42 1q98 h ARG 64 Ca 0.02 -0.29 0.04 0.00 -0.81 0.00 0.00 59.98 58.94 1q98 h ARG 64 Cb 0.50 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 1q98 h ARG 64 CO 0.01 0.99 0.22 -0.22 -1.51 0.00 0.00 179.97 179.47 1q98 h LYS 65 N 0.97 0.44 -0.22 0.20 3.64 -0.90 -1.93 116.57 118.77 1q98 h LYS 65 Ca 0.19 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1q98 h LYS 65 Cb 0.46 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1q98 h LYS 65 CO 0.02 0.29 0.11 0.35 -2.27 0.00 0.00 179.45 177.95 1q98 h PHE 66 N 0.45 0.21 -0.55 1.91 3.57 -1.39 -0.99 116.94 120.15 1q98 h PHE 66 Ca 0.19 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.76 1q98 h PHE 66 Cb 0.10 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.72 1q98 h PHE 66 CO -0.10 0.12 0.26 -0.91 -2.23 0.00 0.00 178.31 175.46 1q98 h ASN 67 N 0.24 0.35 -0.49 0.41 2.35 -1.35 -0.48 115.58 116.61 1q98 h ASN 67 Ca 0.09 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1q98 h ASN 67 Cb 0.01 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 1q98 h ASN 67 CO -0.06 0.24 0.28 1.56 -1.65 0.00 0.00 177.43 177.80 1q98 h GLN 68 N 0.50 0.68 -0.24 0.81 4.20 -0.97 0.20 115.11 120.28 1q98 h GLN 68 Ca 0.26 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 1q98 h GLN 68 Cb 0.21 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1q98 h GLN 68 CO -0.20 0.52 0.07 1.96 -0.67 0.00 0.00 178.83 180.51 1q98 h GLN 69 N 0.65 0.37 -0.42 1.46 4.20 -0.68 -1.79 115.11 118.90 1q98 h GLN 69 Ca 0.17 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 1q98 h GLN 69 Cb 0.03 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1q98 h GLN 69 CO -0.03 0.45 0.12 0.00 -0.67 0.00 0.00 178.83 178.70 1q98 h ALA 70 N 0.90 0.55 0.00 3.87 0.00 -0.99 -2.83 119.26 120.76 1q98 h ALA 70 Ca 0.08 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1q98 h ALA 70 Cb 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1q98 h ALA 70 CO -0.00 0.21 -0.17 0.00 0.00 0.00 0.00 179.25 179.29 1q98 h ALA 71 N 0.97 1.42 0.00 0.00 0.00 -0.90 -1.87 119.26 118.88 1q98 h ALA 71 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1q98 h ALA 71 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1q98 h ALA 71 CO -0.00 0.21 0.00 0.36 0.00 0.00 0.00 179.25 179.82 1q98 n LYS 72 N -3.91 0.23 -1.68 0.00 2.85 -0.68 -4.71 118.16 110.26 1q98 n LYS 72 Ca -0.02 0.24 -0.33 0.00 -1.05 0.00 0.00 58.31 57.15 1q98 n LYS 72 Cb 0.26 -1.80 0.06 0.00 -0.65 0.00 0.00 35.03 32.90 1q98 n LYS 72 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1q98 s LEU 73 N -4.42 3.36 0.23 -5.58 1.43 -0.71 -4.93 118.68 108.06 1q98 s LEU 73 Ca 0.10 2.04 -0.32 0.00 -1.03 0.00 0.00 54.13 54.92 1q98 s LEU 73 Cb 0.12 -4.55 -0.12 0.00 0.03 0.00 0.00 46.19 41.67 1q98 s LEU 73 CO 0.56 -1.74 1.68 -0.24 0.23 0.00 0.00 176.35 176.83 1q98 n SER 74 N -2.52 3.88 -4.01 2.29 2.88 -1.26 -3.45 113.62 111.43 1q98 n SER 74 Ca 0.11 1.09 -0.43 0.00 -1.33 0.00 0.00 58.87 58.30 1q98 n SER 74 Cb 0.52 -1.57 0.02 0.00 -0.75 0.00 0.00 64.21 62.43 1q98 n SER 74 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1q98 n ASN 75 N 3.42 -4.33 -3.95 -3.46 5.15 -1.26 -4.81 115.26 106.01 1q98 n ASN 75 Ca 0.14 -1.24 -0.16 0.00 -0.60 0.00 0.00 54.58 52.72 1q98 n ASN 75 Cb 0.35 -1.79 -0.15 0.00 -0.53 0.00 0.00 39.78 37.66 1q98 n ASN 75 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1q98 s THR 76 N -3.45 0.42 -0.06 -0.44 2.01 -1.22 -0.44 115.64 112.45 1q98 s THR 76 Ca 0.43 -0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.26 1q98 s THR 76 Cb -0.23 -0.37 -0.00 0.00 0.01 0.00 0.00 72.50 71.91 1q98 s THR 76 CO 0.96 0.13 -0.20 -0.51 -0.69 0.00 0.00 174.62 174.31 1q98 s ILE 77 N -0.04 1.65 -0.24 1.82 1.10 0.04 -4.79 121.20 120.74 1q98 s ILE 77 Ca 0.01 -0.82 -0.08 0.00 -0.51 0.00 0.00 60.65 59.26 1q98 s ILE 77 Cb -0.03 -1.42 -0.03 0.00 0.15 0.00 0.00 42.46 41.13 1q98 s ILE 77 CO -0.00 0.47 0.08 -0.69 -2.11 0.00 0.00 174.94 172.68 1q98 s VAL 78 N 0.13 4.51 -0.31 4.00 1.01 0.65 -0.66 120.40 129.73 1q98 s VAL 78 Ca -0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 1q98 s VAL 78 Cb -0.14 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.18 1q98 s VAL 78 CO 0.04 0.36 0.05 -0.76 0.00 0.00 0.00 175.10 174.79 1q98 s LEU 79 N 1.34 3.98 -0.30 3.92 1.43 0.74 -0.69 118.68 129.10 1q98 s LEU 79 Ca 0.05 -1.08 -0.19 0.00 -1.03 0.00 0.00 54.13 51.88 1q98 s LEU 79 Cb -0.15 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 1q98 s LEU 79 CO 0.04 -0.26 0.58 0.00 0.23 0.00 0.00 176.35 176.94 1q98 s ILE 81 N 2.50 3.22 0.24 0.00 1.01 0.28 -0.85 121.20 127.60 1q98 s ILE 81 Ca 0.23 -0.63 -0.22 0.00 0.00 0.00 0.00 60.65 60.03 1q98 s ILE 81 Cb -0.15 -2.33 0.04 0.00 0.01 0.00 0.00 42.46 40.03 1q98 s ILE 81 CO 0.11 0.55 0.81 -0.94 0.00 0.00 0.00 174.94 175.47 1q98 s SER 82 N -0.09 -0.22 0.00 3.58 1.04 -1.17 -0.62 113.70 116.22 1q98 s SER 82 Ca -0.01 -0.55 0.29 0.00 0.48 0.00 0.00 55.95 56.15 1q98 s SER 82 Cb -0.14 0.65 1.27 0.00 0.10 0.00 0.00 66.02 67.90 1q98 s SER 82 CO 0.03 -1.20 1.87 0.00 0.98 0.00 0.00 173.24 174.92 1q98 n ALA 83 N -0.47 2.63 -1.76 5.32 0.00 -1.26 -1.72 120.51 123.24 1q98 n ALA 83 Ca -0.05 -0.37 -0.39 0.00 0.00 0.00 0.00 53.44 52.63 1q98 n ALA 83 Cb 0.60 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.79 1q98 n ALA 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1q98 s ASP 84 N -2.04 5.97 0.70 0.00 1.01 -1.26 -4.45 116.67 116.60 1q98 s ASP 84 Ca 0.40 2.76 -0.13 0.00 0.71 0.00 0.00 52.55 56.29 1q98 s ASP 84 Cb 0.21 -2.64 0.02 0.00 1.01 0.00 0.00 42.92 41.52 1q98 s ASP 84 CO 0.36 -1.10 1.10 -0.76 0.21 0.00 0.00 175.17 174.99 1q98 s LEU 85 N -2.74 3.25 0.40 1.23 1.43 -1.26 -4.62 118.68 116.37 1q98 s LEU 85 Ca 0.61 1.94 0.16 0.00 -1.03 0.00 0.00 54.13 55.81 1q98 s LEU 85 Cb -0.40 -4.54 1.02 0.00 0.03 0.00 0.00 46.19 42.30 1q98 s LEU 85 CO 0.51 -1.80 1.84 -0.65 0.23 0.00 0.00 176.35 176.47 1q98 h PRO 86 N -0.42 0.46 -0.77 1.29 0.11 -1.90 0.33 132.00 131.11 1q98 h PRO 86 Ca -0.46 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.71 1q98 h PRO 86 Cb 1.24 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 1q98 h PRO 86 CO 0.53 0.30 0.51 0.74 -0.21 0.00 0.00 178.00 179.87 1q98 h PHE 87 N 0.47 0.78 0.10 0.65 -1.00 -1.91 -2.43 116.94 113.61 1q98 h PHE 87 Ca 0.50 0.02 -0.32 0.00 2.81 0.00 0.00 57.97 60.98 1q98 h PHE 87 Cb 1.15 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 40.44 1q98 h PHE 87 CO -0.00 0.39 -1.67 0.00 -1.61 0.00 0.00 178.31 175.41 1q98 h ALA 88 N 1.60 0.39 0.00 2.45 0.00 -1.33 -3.34 119.26 119.02 1q98 h ALA 88 Ca 0.35 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1q98 h ALA 88 Cb 0.37 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1q98 h ALA 88 CO -0.13 1.25 0.04 1.04 0.00 0.00 0.00 179.25 181.45 1q98 n GLN 89 N -3.40 0.00 0.00 0.00 6.02 -0.51 0.26 117.38 119.76 1q98 n GLN 89 Ca -0.20 0.36 0.13 0.00 -0.01 0.00 0.00 57.00 57.28 1q98 n GLN 89 Cb 1.05 -1.54 0.34 0.00 1.02 0.00 0.00 30.24 31.11 1q98 n GLN 89 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1q98 n ALA 90 N -1.35 2.60 -0.43 -1.58 0.00 -1.17 -3.72 120.51 114.87 1q98 n ALA 90 Ca 0.00 -0.54 0.09 0.00 0.00 0.00 0.00 53.44 52.99 1q98 n ALA 90 Cb 0.04 -1.02 0.27 0.00 0.00 0.00 0.00 19.45 18.73 1q98 n ALA 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1q98 n ARG 91 N 0.55 3.06 -2.92 0.00 0.63 0.14 -4.96 116.66 113.15 1q98 n ARG 91 Ca 0.16 -2.52 -0.40 0.00 -0.92 0.00 0.00 57.85 54.17 1q98 n ARG 91 Cb 0.45 -1.57 -0.05 0.00 0.45 0.00 0.00 32.46 31.74 1q98 n ARG 91 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 1q98 s PHE 92 N -1.39 3.81 -0.94 -0.14 5.36 -1.24 -4.96 117.98 118.47 1q98 s PHE 92 Ca 0.40 1.60 0.26 0.00 -0.96 0.00 0.00 56.93 58.22 1q98 s PHE 92 Cb 0.23 -2.86 0.73 0.00 -0.34 0.00 0.00 43.02 40.78 1q98 s PHE 92 CO 0.23 0.33 1.58 0.00 -1.46 0.00 0.00 175.22 175.90 1q98 n GLY 94 N 1.47 0.55 0.41 0.00 0.00 -1.26 -4.59 105.19 101.77 1q98 n GLY 94 Ca 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1q98 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q98 n ALA 95 N 0.81 2.34 -1.68 4.61 0.00 -1.26 -4.72 120.51 120.62 1q98 n ALA 95 Ca 0.16 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 53.09 1q98 n ALA 95 Cb 0.49 0.41 -0.05 0.00 0.00 0.00 0.00 19.45 20.29 1q98 n ALA 95 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1q98 n GLU 96 N -2.52 1.79 -0.05 0.00 -0.58 -1.25 -1.48 120.64 116.56 1q98 n GLU 96 Ca 0.00 0.66 0.00 0.00 -0.42 0.00 0.00 57.16 57.40 1q98 n GLU 96 Cb 0.41 -2.43 0.00 0.00 -0.57 0.00 0.00 31.44 28.85 1q98 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1q98 n GLY 97 N 4.11 0.48 3.40 0.62 0.00 -1.26 -5.03 105.19 107.51 1q98 n GLY 97 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 1q98 n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q98 s ILE 98 N -2.19 4.57 0.12 -0.61 1.01 -0.55 -5.01 121.20 118.53 1q98 s ILE 98 Ca 0.00 -0.66 -0.24 0.00 0.00 0.00 0.00 60.65 59.75 1q98 s ILE 98 Cb 0.00 -3.45 -0.06 0.00 0.01 0.00 0.00 42.46 38.96 1q98 s ILE 98 CO 0.00 -0.09 1.41 -0.08 0.00 0.00 0.00 174.94 176.18 1q98 h GLU 99 N 8.39 -0.09 -1.24 2.79 4.22 -1.97 -2.30 114.58 124.38 1q98 h GLU 99 Ca -0.29 0.01 -0.58 0.00 0.08 0.00 0.00 59.36 58.58 1q98 h GLU 99 Cb 1.12 0.02 -0.24 0.00 0.50 0.00 0.00 28.75 30.15 1q98 h GLU 99 CO 0.64 -0.06 0.75 0.09 -2.18 0.00 0.00 179.01 178.25 1q98 n ASN 100 N -4.73 7.33 -3.68 1.04 3.02 -1.26 -4.79 115.26 112.18 1q98 n ASN 100 Ca 0.00 -3.58 -0.28 0.00 -0.03 0.00 0.00 54.58 50.70 1q98 n ASN 100 Cb 0.22 -1.02 -0.16 0.00 -0.61 0.00 0.00 39.78 38.21 1q98 n ASN 100 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q98 s ALA 101 N -3.22 0.94 0.10 5.41 0.00 -0.87 -0.25 121.76 123.86 1q98 s ALA 101 Ca 0.55 -0.86 0.10 0.00 0.00 0.00 0.00 51.96 51.75 1q98 s ALA 101 Cb 0.43 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 1q98 s ALA 101 CO -0.04 -1.33 -0.26 0.21 0.00 0.00 0.00 175.76 174.34 1q98 s LYS 102 N 1.90 1.48 -0.11 0.00 2.47 0.13 -4.71 119.74 120.90 1q98 s LYS 102 Ca 0.03 -1.23 -0.05 0.00 -1.56 0.00 0.00 55.97 53.16 1q98 s LYS 102 Cb -0.17 -1.83 -0.04 0.00 -1.46 0.00 0.00 37.83 34.34 1q98 s LYS 102 CO -0.15 0.45 0.08 0.95 0.16 0.00 0.00 175.35 176.83 1q98 s THR 103 N -0.98 5.01 0.02 3.43 -4.23 -1.26 -0.54 115.64 117.09 1q98 s THR 103 Ca 0.12 0.02 0.02 0.00 -1.18 0.00 0.00 61.69 60.67 1q98 s THR 103 Cb -0.10 -3.16 -0.01 0.00 1.34 0.00 0.00 72.50 70.57 1q98 s THR 103 CO 0.04 0.61 -0.07 0.68 -0.54 0.00 0.00 174.62 175.35 1q98 s VAL 104 N -0.94 0.48 0.02 2.29 -7.23 -0.03 -4.18 120.40 110.81 1q98 s VAL 104 Ca 0.14 -0.63 0.01 0.00 -1.81 0.00 0.00 61.98 59.68 1q98 s VAL 104 Cb -0.12 -0.48 -0.04 0.00 0.56 0.00 0.00 36.38 36.30 1q98 s VAL 104 CO 0.03 -0.12 0.07 -0.55 -0.31 0.00 0.00 175.10 174.22 1q98 s SER 105 N -0.82 5.54 -0.00 4.85 0.15 0.82 -3.04 113.70 121.20 1q98 s SER 105 Ca -0.04 0.08 0.22 0.00 0.70 0.00 0.00 55.95 56.91 1q98 s SER 105 Cb -0.06 -1.54 0.62 0.00 -1.71 0.00 0.00 66.02 63.34 1q98 s SER 105 CO 0.00 0.25 1.52 0.35 1.20 0.00 0.00 173.24 176.56 1q98 n THR 106 N 1.03 0.94 0.20 6.45 -2.24 -0.70 -1.64 114.28 118.32 1q98 n THR 106 Ca -0.12 -0.94 0.18 0.00 -2.27 0.00 0.00 64.05 60.90 1q98 n THR 106 Cb 0.52 0.47 0.83 0.00 -2.10 0.00 0.00 70.33 70.05 1q98 n THR 106 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 1q98 h PHE 107 N 4.11 0.00 -0.04 4.78 -5.15 -1.82 0.15 116.94 118.97 1q98 h PHE 107 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1q98 h PHE 107 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.11 1q98 h PHE 107 CO 0.47 0.00 0.00 0.54 -2.00 0.00 0.00 178.31 177.32 1q98 n ARG 108 N -3.68 1.76 -3.08 6.09 1.74 -1.26 -4.67 116.66 113.56 1q98 n ARG 108 Ca 0.02 -1.69 -0.19 0.00 -0.77 0.00 0.00 57.85 55.22 1q98 n ARG 108 Cb 0.37 -1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 30.40 1q98 n ARG 108 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1q98 n ASN 109 N 1.11 -0.34 0.28 0.55 5.15 0.51 -4.93 115.26 117.59 1q98 n ASN 109 Ca 0.12 -2.97 0.16 0.00 -0.60 0.00 0.00 54.58 51.29 1q98 n ASN 109 Cb 0.49 -0.02 0.84 0.00 -0.53 0.00 0.00 39.78 40.56 1q98 n ASN 109 CO 0.00 0.00 0.00 -0.74 1.40 0.00 0.00 177.26 177.92 1q98 h HIS 110 N 3.63 0.00 0.00 1.20 -0.00 -1.80 -1.84 115.15 116.33 1q98 h HIS 110 Ca 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1q98 h HIS 110 Cb 0.95 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.36 1q98 h HIS 110 CO 0.34 0.07 -0.02 0.00 -0.00 0.00 0.00 177.93 178.31 1q98 h ALA 111 N 1.93 1.16 0.00 5.26 0.00 -1.92 -1.73 119.26 123.97 1q98 h ALA 111 Ca -0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1q98 h ALA 111 Cb 0.27 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1q98 h ALA 111 CO 0.01 0.03 -0.29 1.25 0.00 0.00 0.00 179.25 180.24 1q98 h LEU 112 N 0.00 0.00 0.22 0.00 6.46 -1.71 -2.36 115.31 117.92 1q98 h LEU 112 Ca -0.00 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1q98 h LEU 112 Cb 0.13 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 1q98 h LEU 112 CO 0.00 0.29 -0.30 0.45 -0.62 0.00 0.00 178.44 178.26 1q98 h HIS 113 N 0.00 -0.81 -0.38 1.25 3.86 -1.49 -1.54 115.15 116.04 1q98 h HIS 113 Ca -0.00 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.13 1q98 h HIS 113 Cb 0.53 0.33 -0.02 0.00 1.06 0.00 0.00 27.41 29.31 1q98 h HIS 113 CO 0.00 -0.42 -0.13 0.66 0.86 0.00 0.00 177.93 178.90 1q98 h SER 114 N -0.59 0.66 -0.88 2.45 4.64 -1.69 -0.52 113.55 117.62 1q98 h SER 114 Ca 0.01 -0.20 0.11 0.00 -0.47 0.00 0.00 61.79 61.24 1q98 h SER 114 Cb 0.57 -0.18 -0.07 0.00 -0.31 0.00 0.00 62.40 62.41 1q98 h SER 114 CO -0.11 0.82 0.57 -0.61 -0.87 0.00 0.00 176.83 176.63 1q98 h GLN 115 N 0.61 0.80 -0.69 4.77 4.15 -0.96 -0.21 115.11 123.58 1q98 h GLN 115 Ca 0.10 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1q98 h GLN 115 Cb 0.58 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.09 1q98 h GLN 115 CO 0.04 0.53 0.00 1.28 -1.93 0.00 0.00 178.83 178.75 1q98 n LEU 116 N -4.54 3.80 -2.91 -2.39 4.77 -0.62 -4.71 117.00 110.40 1q98 n LEU 116 Ca 0.16 -1.88 -0.22 0.00 -0.03 0.00 0.00 56.01 54.04 1q98 n LEU 116 Cb 0.35 -0.46 0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1q98 n LEU 116 CO 0.31 0.94 -0.01 0.61 -1.33 0.00 0.00 177.39 177.91 1q98 n GLY 117 N 1.63 -0.48 0.27 -0.72 0.00 -0.09 -4.21 105.19 101.59 1q98 n GLY 117 Ca 0.24 0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.43 1q98 n GLY 117 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1q98 n VAL 118 N -4.48 1.67 -2.60 1.61 0.24 -0.25 -4.41 118.33 110.11 1q98 n VAL 118 Ca -0.11 -2.15 -0.41 0.00 -2.04 0.00 0.00 64.34 59.62 1q98 n VAL 118 Cb 0.62 -0.11 -0.03 0.00 -1.47 0.00 0.00 33.84 32.85 1q98 n VAL 118 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1q98 s ASP 119 N -2.70 6.22 0.04 -1.34 2.15 -1.10 -0.39 116.67 119.54 1q98 s ASP 119 Ca 0.30 -0.70 -0.30 0.00 0.43 0.00 0.00 52.55 52.27 1q98 s ASP 119 Cb 0.27 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 40.30 1q98 s ASP 119 CO 0.00 -1.72 1.25 -0.63 -0.17 0.00 0.00 175.17 173.89 1q98 s ILE 120 N 5.34 3.95 -0.10 4.11 1.01 -1.07 0.84 121.20 135.27 1q98 s ILE 120 Ca 0.35 1.37 0.08 0.00 0.00 0.00 0.00 60.65 62.45 1q98 s ILE 120 Cb -0.08 -3.88 -0.11 0.00 0.01 0.00 0.00 42.46 38.40 1q98 s ILE 120 CO 0.10 0.07 0.20 0.00 0.00 0.00 0.00 174.94 175.32 1q98 n GLN 121 N 4.35 1.36 -3.91 2.79 6.02 0.11 -1.58 117.38 126.52 1q98 n GLN 121 Ca 0.10 -0.05 -0.24 0.00 -0.01 0.00 0.00 57.00 56.80 1q98 n GLN 121 Cb 0.45 -1.09 -0.04 0.00 1.02 0.00 0.00 30.24 30.58 1q98 n GLN 121 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1q98 n THR 122 N -1.61 0.00 -2.50 5.09 -2.24 -1.26 -4.76 114.28 107.01 1q98 n THR 122 Ca -0.01 -1.77 0.13 0.00 -2.27 0.00 0.00 64.05 60.14 1q98 n THR 122 Cb 0.18 0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 1q98 n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q98 n GLY 123 N 0.45 -1.54 0.22 3.38 0.00 -1.26 -2.42 105.19 104.02 1q98 n GLY 123 Ca -0.14 -1.07 0.15 0.00 0.00 0.00 0.00 46.02 44.97 1q98 n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q98 h PRO 124 N 0.00 0.00 -0.58 1.61 0.13 -2.02 -2.63 132.00 128.51 1q98 h PRO 124 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1q98 h PRO 124 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1q98 h PRO 124 CO 0.01 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.06 1q98 n LEU 125 N -2.64 3.14 -4.75 1.56 4.77 -1.25 -4.95 117.00 112.89 1q98 n LEU 125 Ca -0.00 -1.57 -0.42 0.00 -0.03 0.00 0.00 56.01 53.99 1q98 n LEU 125 Cb 0.18 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 1q98 n LEU 125 CO 0.20 0.76 1.20 0.00 -1.33 0.00 0.00 177.39 178.22 1q98 n ALA 126 N 1.16 2.42 0.00 -1.18 0.00 -0.99 -1.65 120.51 120.26 1q98 n ALA 126 Ca 0.19 0.37 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1q98 n ALA 126 Cb 0.51 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.51 1q98 n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q98 n GLY 127 N 1.79 0.59 3.94 0.00 0.00 -0.61 -4.98 105.19 105.91 1q98 n GLY 127 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1q98 n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q98 s LEU 128 N 0.00 3.58 -0.14 0.99 1.43 -0.66 -4.93 118.68 118.96 1q98 s LEU 128 Ca 0.00 -0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 52.43 1q98 s LEU 128 Cb 0.00 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 1q98 s LEU 128 CO 0.00 -0.64 0.30 0.42 0.23 0.00 0.00 176.35 176.67 1q98 s THR 129 N -2.37 5.28 0.67 5.49 -4.23 -1.26 -2.61 115.64 116.61 1q98 s THR 129 Ca 0.50 0.58 -0.16 0.00 -1.18 0.00 0.00 61.69 61.43 1q98 s THR 129 Cb -0.07 -3.63 0.01 0.00 1.34 0.00 0.00 72.50 70.15 1q98 s THR 129 CO 0.30 0.42 1.18 -0.55 -0.54 0.00 0.00 174.62 175.43 1q98 s SER 130 N 0.21 4.71 0.09 3.99 0.15 0.48 -2.11 113.70 121.22 1q98 s SER 130 Ca 0.18 2.26 -0.31 0.00 0.70 0.00 0.00 55.95 58.78 1q98 s SER 130 Cb -0.13 -2.58 -0.09 0.00 -1.71 0.00 0.00 66.02 61.51 1q98 s SER 130 CO 0.05 -1.91 1.63 -0.60 1.20 0.00 0.00 173.24 173.61 1q98 s ARG 131 N -3.81 4.20 0.13 5.44 6.06 -1.26 -4.48 118.95 125.23 1q98 s ARG 131 Ca 0.73 2.33 -0.24 0.00 -2.50 0.00 0.00 55.73 56.05 1q98 s ARG 131 Cb -0.27 -3.50 0.07 0.00 0.06 0.00 0.00 34.95 31.32 1q98 s ARG 131 CO 0.41 -0.70 0.63 0.00 -2.50 0.00 0.00 175.30 173.13 1q98 s ALA 132 N 2.30 -1.63 -0.06 6.12 0.00 -0.65 -1.69 121.76 126.14 1q98 s ALA 132 Ca 0.73 0.58 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1q98 s ALA 132 Cb -0.41 0.79 0.02 0.00 0.00 0.00 0.00 23.12 23.53 1q98 s ALA 132 CO 0.32 -0.74 -0.05 0.08 0.00 0.00 0.00 175.76 175.37 1q98 s VAL 133 N -3.53 0.65 -0.11 0.00 1.01 -0.65 -0.55 120.40 117.22 1q98 s VAL 133 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1q98 s VAL 133 Cb -0.01 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.70 1q98 s VAL 133 CO -0.11 0.27 -0.10 -0.63 0.00 0.00 0.00 175.10 174.53 1q98 s ILE 134 N 1.24 1.20 -0.24 2.22 1.01 -0.13 -0.90 121.20 125.60 1q98 s ILE 134 Ca -0.05 -0.42 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 1q98 s ILE 134 Cb -0.14 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 1q98 s ILE 134 CO -0.02 0.39 0.09 -0.69 0.00 0.00 0.00 174.94 174.71 1q98 s VAL 135 N 1.45 4.53 0.02 2.92 1.01 0.64 0.24 120.40 131.20 1q98 s VAL 135 Ca 0.01 -0.10 0.05 0.00 0.00 0.00 0.00 61.98 61.94 1q98 s VAL 135 Cb -0.13 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1q98 s VAL 135 CO -0.07 0.34 -0.11 -0.76 0.00 0.00 0.00 175.10 174.51 1q98 s LEU 136 N 1.44 2.97 0.00 3.92 1.43 -0.01 0.12 118.68 128.55 1q98 s LEU 136 Ca 0.06 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1q98 s LEU 136 Cb -0.15 -1.72 0.04 0.00 0.03 0.00 0.00 46.19 44.40 1q98 s LEU 136 CO 0.04 0.27 0.26 -0.90 0.23 0.00 0.00 176.35 176.25 1q98 n ASP 137 N 1.55 0.17 0.00 2.29 5.68 0.09 -1.70 116.55 124.62 1q98 n ASP 137 Ca -0.16 -1.18 0.03 0.00 -0.50 0.00 0.00 54.79 52.98 1q98 n ASP 137 Cb 0.52 -0.18 0.16 0.00 -1.14 0.00 0.00 41.12 40.48 1q98 n ASP 137 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1q98 n GLU 138 N -1.51 0.06 -0.10 0.11 4.71 -1.26 -1.29 120.64 121.35 1q98 n GLU 138 Ca 0.04 0.29 0.04 0.00 -0.01 0.00 0.00 57.16 57.52 1q98 n GLU 138 Cb 0.13 -1.50 0.10 0.00 -1.01 0.00 0.00 31.44 29.16 1q98 n GLU 138 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1q98 n GLN 139 N -1.37 2.19 -1.33 3.49 1.13 -1.26 -3.87 117.38 116.36 1q98 n GLN 139 Ca 0.03 -1.70 -0.11 0.00 -1.94 0.00 0.00 57.00 53.28 1q98 n GLN 139 Cb 0.06 -1.20 -0.05 0.00 0.11 0.00 0.00 30.24 29.16 1q98 n GLN 139 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1q98 n ASN 140 N 0.36 -4.39 -4.75 1.08 3.02 -0.41 -4.86 115.26 105.30 1q98 n ASN 140 Ca 0.08 0.28 -0.40 0.00 -0.03 0.00 0.00 54.58 54.51 1q98 n ASN 140 Cb 0.35 -2.88 -0.05 0.00 -0.61 0.00 0.00 39.78 36.58 1q98 n ASN 140 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1q98 s ASN 141 N -2.86 7.39 -0.12 6.41 2.47 -1.26 -0.69 114.94 126.28 1q98 s ASN 141 Ca 0.00 1.66 -0.29 0.00 0.42 0.00 0.00 52.86 54.64 1q98 s ASN 141 Cb 0.00 -2.53 -0.03 0.00 -1.45 0.00 0.00 41.25 37.24 1q98 s ASN 141 CO 0.00 0.07 1.38 -0.69 -3.72 0.00 0.00 177.10 174.14 1q98 s VAL 142 N -0.49 4.05 -0.11 -5.21 1.01 0.07 -0.73 120.40 118.99 1q98 s VAL 142 Ca 0.40 1.28 0.11 0.00 0.00 0.00 0.00 61.98 63.78 1q98 s VAL 142 Cb -0.23 -3.83 -0.24 0.00 0.00 0.00 0.00 36.38 32.09 1q98 s VAL 142 CO 0.27 -0.10 0.42 0.18 0.00 0.00 0.00 175.10 175.87 1q98 n LEU 143 N 6.61 0.95 -3.56 3.92 4.77 0.12 -3.49 117.00 126.32 1q98 n LEU 143 Ca 0.15 0.25 -0.16 0.00 -0.03 0.00 0.00 56.01 56.22 1q98 n LEU 143 Cb 0.44 0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1q98 n LEU 143 CO 0.58 0.50 0.49 -2.28 -1.33 0.00 0.00 177.39 175.35 1q98 s HIS 144 N -2.56 -0.65 -0.08 -1.77 5.04 -1.16 -4.92 115.29 109.18 1q98 s HIS 144 Ca -0.10 1.29 -0.20 0.00 -1.54 0.00 0.00 55.06 54.51 1q98 s HIS 144 Cb 0.07 0.37 0.04 0.00 0.04 0.00 0.00 32.58 33.11 1q98 s HIS 144 CO 0.81 -0.49 0.48 -1.54 -2.34 0.00 0.00 174.74 171.65 1q98 s SER 145 N -0.67 -0.43 -0.14 9.88 1.04 -1.26 -0.26 113.70 121.86 1q98 s SER 145 Ca -0.06 0.58 -0.06 0.00 0.48 0.00 0.00 55.95 56.89 1q98 s SER 145 Cb -0.02 0.62 0.06 0.00 0.10 0.00 0.00 66.02 66.79 1q98 s SER 145 CO 0.06 -0.40 0.30 -1.58 0.98 0.00 0.00 173.24 172.60 1q98 s GLN 146 N -0.74 0.22 -0.45 4.02 0.74 -0.08 -4.98 119.66 118.40 1q98 s GLN 146 Ca -0.08 0.73 -0.14 0.00 0.05 0.00 0.00 55.36 55.92 1q98 s GLN 146 Cb -0.03 -0.01 0.06 0.00 1.10 0.00 0.00 33.01 34.13 1q98 s GLN 146 CO 0.05 -0.23 0.34 -1.17 -0.55 0.00 0.00 175.29 173.73 1q98 s LEU 147 N 1.98 5.39 -0.23 3.68 2.96 -1.26 -1.64 118.68 129.55 1q98 s LEU 147 Ca -0.04 -1.25 -0.33 0.00 -0.22 0.00 0.00 54.13 52.29 1q98 s LEU 147 Cb -0.11 -2.14 -0.10 0.00 0.50 0.00 0.00 46.19 44.34 1q98 s LEU 147 CO -0.10 -0.57 2.09 0.52 -1.32 0.00 0.00 176.35 176.97 1q98 n VAL 148 N 5.14 0.36 0.05 1.68 0.31 -0.68 -4.84 118.33 120.34 1q98 n VAL 148 Ca -0.12 -0.25 0.14 0.00 -0.01 0.00 0.00 64.34 64.10 1q98 n VAL 148 Cb 0.44 -1.93 0.62 0.00 -0.91 0.00 0.00 33.84 32.07 1q98 n VAL 148 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1q98 h GLU 149 N 11.86 0.12 -4.09 5.55 5.08 -1.90 -3.37 114.58 127.84 1q98 h GLU 149 Ca -0.38 -0.01 -0.58 0.00 -1.00 0.00 0.00 59.36 57.39 1q98 h GLU 149 Cb 1.29 -0.03 -0.39 0.00 0.50 0.00 0.00 28.75 30.12 1q98 h GLU 149 CO 0.98 0.08 -0.78 -1.21 -1.00 0.00 0.00 179.01 177.09 1q98 s GLU 150 N -5.15 1.29 0.43 2.33 2.02 -1.26 -0.49 118.70 117.88 1q98 s GLU 150 Ca -0.06 -0.86 0.22 0.00 0.02 0.00 0.00 54.97 54.29 1q98 s GLU 150 Cb 0.19 -2.44 1.20 0.00 0.10 0.00 0.00 34.13 33.18 1q98 s GLU 150 CO 0.72 -0.64 1.79 0.82 0.02 0.00 0.00 175.26 177.97 1q98 h ILE 151 N 6.61 0.52 -0.09 -1.63 2.04 -1.64 0.65 117.51 123.97 1q98 h ILE 151 Ca -0.17 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1q98 h ILE 151 Cb 1.08 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1q98 h ILE 151 CO 0.40 0.06 0.00 2.29 0.00 0.00 0.00 178.15 180.89 1q98 n LYS 152 N -4.52 1.23 -4.11 2.37 0.00 -1.26 -4.81 118.16 107.06 1q98 n LYS 152 Ca 0.24 -0.33 -0.33 0.00 -0.00 0.00 0.00 58.31 57.90 1q98 n LYS 152 Cb 0.92 -1.11 -0.07 0.00 -0.00 0.00 0.00 35.03 34.77 1q98 n LYS 152 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1q98 s GLU 153 N -1.83 3.08 0.13 -1.58 2.12 0.22 -5.09 118.70 115.76 1q98 s GLU 153 Ca 0.06 -0.46 -0.30 0.00 0.36 0.00 0.00 54.97 54.63 1q98 s GLU 153 Cb 0.03 -2.87 -0.06 0.00 0.26 0.00 0.00 34.13 31.49 1q98 s GLU 153 CO 0.04 0.66 1.06 -2.00 -0.54 0.00 0.00 175.26 174.47 1q98 s GLU 154 N -1.66 4.60 0.96 4.30 2.12 -1.26 -4.93 118.70 122.84 1q98 s GLU 154 Ca 0.22 1.61 -0.11 0.00 0.36 0.00 0.00 54.97 57.05 1q98 s GLU 154 Cb -0.12 -3.33 0.17 0.00 0.26 0.00 0.00 34.13 31.10 1q98 s GLU 154 CO 0.13 0.07 1.09 -2.14 -0.54 0.00 0.00 175.26 173.87 1q98 s PRO 155 N 0.05 0.73 -1.23 4.30 0.02 -1.26 -4.89 135.00 132.71 1q98 s PRO 155 Ca 0.50 1.11 -0.17 0.00 0.02 0.00 0.00 61.00 62.46 1q98 s PRO 155 Cb -0.27 -1.73 0.10 0.00 0.02 0.00 0.00 34.50 32.62 1q98 s PRO 155 CO 0.32 -2.69 1.61 1.21 -0.33 0.00 0.00 177.00 177.12 1q98 s ASN 156 N -2.94 6.86 0.31 2.53 3.84 -1.26 -4.78 114.94 119.50 1q98 s ASN 156 Ca 0.66 -2.48 0.01 0.00 0.21 0.00 0.00 52.86 51.25 1q98 s ASN 156 Cb -0.21 -2.52 0.51 0.00 -0.55 0.00 0.00 41.25 38.47 1q98 s ASN 156 CO 0.59 -1.09 1.88 1.88 -2.79 0.00 0.00 177.10 177.58 1q98 h TYR 157 N 7.72 0.76 -0.70 0.43 0.99 -2.00 -2.88 116.97 121.29 1q98 h TYR 157 Ca 0.38 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 61.05 1q98 h TYR 157 Cb 0.89 -0.23 -0.03 0.00 1.00 0.00 0.00 36.73 38.36 1q98 h TYR 157 CO 1.32 0.62 0.39 1.49 -0.00 0.00 0.00 178.16 181.98 1q98 h GLU 158 N 0.74 0.97 -0.76 4.88 4.57 -1.99 -1.17 114.58 121.80 1q98 h GLU 158 Ca 0.17 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1q98 h GLU 158 Cb 0.21 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 1q98 h GLU 158 CO -0.01 0.72 0.39 0.00 -1.18 0.00 0.00 179.01 178.92 1q98 h ALA 159 N 1.20 1.24 -0.38 2.92 0.00 -1.92 0.44 119.26 122.76 1q98 h ALA 159 Ca 0.25 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1q98 h ALA 159 Cb 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1q98 h ALA 159 CO -0.04 0.59 -0.20 0.00 0.00 0.00 0.00 179.25 179.60 1q98 h ALA 160 N 1.34 0.53 -0.26 0.00 0.00 -1.31 -3.05 119.26 116.51 1q98 h ALA 160 Ca 0.27 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1q98 h ALA 160 Cb 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1q98 h ALA 160 CO -0.04 0.49 -0.41 -0.07 0.00 0.00 0.00 179.25 179.22 1q98 h LEU 161 N 0.60 0.65 -0.80 0.00 3.38 -1.00 -3.22 115.31 114.93 1q98 h LEU 161 Ca 0.08 -0.30 0.12 0.00 0.09 0.00 0.00 57.88 57.88 1q98 h LEU 161 Cb 0.76 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.24 1q98 h LEU 161 CO 0.06 0.99 0.41 0.00 0.09 0.00 0.00 178.44 179.98 1q98 h ALA 162 N 1.04 1.15 0.00 1.53 0.00 -0.81 -1.31 119.26 120.87 1q98 h ALA 162 Ca 0.04 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1q98 h ALA 162 Cb 0.93 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1q98 h ALA 162 CO 0.08 -0.05 0.00 -0.39 0.00 0.00 0.00 179.25 178.89 1q98 h VAL 163 N 0.64 0.00 0.00 0.00 -1.51 -1.55 -2.96 116.25 110.87 1q98 h VAL 163 Ca 0.41 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 65.52 1q98 h VAL 163 Cb 0.51 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 1q98 h VAL 163 CO -0.32 0.00 -0.83 0.18 -1.23 0.00 0.00 177.57 175.37 1q98 n LEU 164 N -2.48 0.75 0.00 4.19 4.77 -0.52 -5.08 117.00 118.63 1q98 n LEU 164 Ca 0.02 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1q98 n LEU 164 Cb 0.29 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1q98 n LEU 164 CO 0.24 0.18 0.00 0.00 -1.33 0.00 0.00 177.39 176.47