#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a88 s THR 2 N 0.00 0.23 -0.01 2.61 -4.23 -1.26 -1.78 115.64 111.21 1a88 s THR 2 Ca 0.00 -1.51 0.04 0.00 -1.18 0.00 0.00 61.69 59.04 1a88 s THR 2 Cb 0.00 -1.11 -0.01 0.00 1.34 0.00 0.00 72.50 72.72 1a88 s THR 2 CO 0.00 -0.81 -0.14 0.68 -0.54 0.00 0.00 174.62 173.81 1a88 s VAL 3 N -3.04 1.13 -0.18 2.29 -7.23 -0.48 -4.94 120.40 107.95 1a88 s VAL 3 Ca -0.00 -0.63 -0.16 0.00 -1.81 0.00 0.00 61.98 59.38 1a88 s VAL 3 Cb 0.02 -0.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.97 1a88 s VAL 3 CO -0.06 0.30 0.38 -0.89 -0.31 0.00 0.00 175.10 174.52 1a88 s THR 4 N -0.36 5.23 0.84 5.32 2.01 -1.26 -0.91 115.64 126.50 1a88 s THR 4 Ca 0.05 0.69 -0.06 0.00 0.31 0.00 0.00 61.69 62.68 1a88 s THR 4 Cb -0.06 -3.71 0.17 0.00 0.01 0.00 0.00 72.50 68.92 1a88 s THR 4 CO -0.00 0.30 1.14 0.42 -0.69 0.00 0.00 174.62 175.79 1a88 s THR 5 N 1.00 2.01 0.26 -0.82 -4.23 0.02 -4.92 115.64 108.97 1a88 s THR 5 Ca 0.19 -0.40 -0.05 0.00 -1.18 0.00 0.00 61.69 60.26 1a88 s THR 5 Cb -0.14 -2.62 0.24 0.00 1.34 0.00 0.00 72.50 71.33 1a88 s THR 5 CO 0.07 0.00 1.92 0.77 -0.54 0.00 0.00 174.62 176.84 1a88 h SER 6 N -1.02 1.07 -0.01 3.99 4.64 -1.94 -0.07 113.55 120.20 1a88 h SER 6 Ca -0.38 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1a88 h SER 6 Cb 1.24 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1a88 h SER 6 CO 0.35 0.80 0.00 -0.90 -0.87 0.00 0.00 176.83 176.22 1a88 n ASP 7 N -4.37 0.26 0.00 4.97 5.68 -1.26 -4.86 116.55 116.97 1a88 n ASP 7 Ca 0.10 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.39 1a88 n ASP 7 Cb 0.05 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 1a88 n ASP 7 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a88 n GLY 8 N 0.42 0.55 3.72 6.12 0.00 -0.04 -5.04 105.19 110.93 1a88 n GLY 8 Ca 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1a88 n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a88 s THR 9 N -2.00 4.36 -0.13 2.61 2.01 -1.26 -4.73 115.64 116.51 1a88 s THR 9 Ca 0.00 1.85 -0.18 0.00 0.31 0.00 0.00 61.69 63.67 1a88 s THR 9 Cb 0.00 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1a88 s THR 9 CO 0.00 0.23 0.46 0.20 -0.69 0.00 0.00 174.62 174.82 1a88 s ASN 10 N 0.43 6.65 -0.20 3.53 0.01 -1.26 -0.80 114.94 123.29 1a88 s ASN 10 Ca 0.51 0.78 -0.04 0.00 -0.71 0.00 0.00 52.86 53.39 1a88 s ASN 10 Cb -0.25 -2.27 -0.02 0.00 0.41 0.00 0.00 41.25 39.11 1a88 s ASN 10 CO 0.30 0.01 -0.02 -0.63 -1.51 0.00 0.00 177.10 175.25 1a88 s ILE 11 N 0.63 3.71 0.22 0.60 -1.09 -0.09 -1.43 121.20 123.75 1a88 s ILE 11 Ca 0.25 -0.39 -0.26 0.00 -2.23 0.00 0.00 60.65 58.02 1a88 s ILE 11 Cb -0.15 -2.67 -0.09 0.00 -1.58 0.00 0.00 42.46 37.97 1a88 s ILE 11 CO 0.10 0.43 0.84 0.12 -1.23 0.00 0.00 174.94 175.19 1a88 s PHE 12 N 1.12 3.84 0.07 3.97 5.36 -1.26 -1.38 117.98 129.70 1a88 s PHE 12 Ca 0.02 1.69 -0.10 0.00 -0.96 0.00 0.00 56.93 57.58 1a88 s PHE 12 Cb -0.14 -2.82 0.00 0.00 -0.34 0.00 0.00 43.02 39.72 1a88 s PHE 12 CO 0.01 0.41 0.21 1.52 -1.46 0.00 0.00 175.22 175.91 1a88 s TYR 13 N -1.31 0.08 0.08 10.12 1.13 -0.73 -0.99 117.35 125.73 1a88 s TYR 13 Ca 0.41 -0.41 0.05 0.00 -1.41 0.00 0.00 57.07 55.71 1a88 s TYR 13 Cb -0.22 -0.03 -0.04 0.00 -1.10 0.00 0.00 41.96 40.58 1a88 s TYR 13 CO 0.26 -0.50 -0.04 0.15 -2.51 0.00 0.00 175.55 172.91 1a88 s LYS 14 N -3.28 2.45 -0.32 -3.49 1.02 0.49 -1.23 119.74 115.38 1a88 s LYS 14 Ca 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.14 1a88 s LYS 14 Cb 0.02 -2.48 0.14 0.00 -0.52 0.00 0.00 37.83 34.99 1a88 s LYS 14 CO -0.08 0.54 0.31 0.34 -0.92 0.00 0.00 175.35 175.54 1a88 s ASP 15 N -2.13 1.69 0.25 2.83 2.15 -1.26 -2.14 116.67 118.06 1a88 s ASP 15 Ca 0.23 -1.11 0.10 0.00 0.43 0.00 0.00 52.55 52.21 1a88 s ASP 15 Cb -0.11 0.43 -0.05 0.00 -0.30 0.00 0.00 42.92 42.89 1a88 s ASP 15 CO 0.15 -0.35 -0.10 0.26 -0.17 0.00 0.00 175.17 174.96 1a88 s TRP 16 N 2.00 2.52 0.00 -5.34 0.51 0.36 -4.96 118.94 114.04 1a88 s TRP 16 Ca 0.12 -0.27 0.00 0.00 -2.12 0.00 0.00 56.10 53.83 1a88 s TRP 16 Cb -0.15 -1.14 0.00 0.00 -0.81 0.00 0.00 33.47 31.37 1a88 s TRP 16 CO -0.23 0.62 0.00 0.41 -0.51 0.00 0.00 176.95 177.25 1a88 n GLY 17 N -0.54 -3.65 3.76 0.98 0.00 -1.26 -0.28 105.19 104.20 1a88 n GLY 17 Ca -0.07 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 1a88 n GLY 17 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1a88 n PRO 18 N -0.06 2.62 0.27 1.61 -0.02 -1.26 -4.88 135.00 133.27 1a88 n PRO 18 Ca 0.00 0.92 0.14 0.00 -2.02 0.00 0.00 63.50 62.54 1a88 n PRO 18 Cb 0.00 -2.65 0.77 0.00 -0.02 0.00 0.00 33.50 31.61 1a88 n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a88 h ARG 19 N 3.35 0.00 -0.49 -0.52 2.47 -1.98 -2.03 114.38 115.18 1a88 h ARG 19 Ca -0.49 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 1a88 h ARG 19 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1a88 h ARG 19 CO 0.68 0.09 0.00 -0.40 0.56 0.00 0.00 179.97 180.90 1a88 n ASP 20 N -3.54 3.33 -4.83 7.04 5.75 -1.26 -5.01 116.55 118.03 1a88 n ASP 20 Ca -0.02 -1.98 -0.31 0.00 -0.01 0.00 0.00 54.79 52.47 1a88 n ASP 20 Cb 0.23 -0.33 0.05 0.00 -1.03 0.00 0.00 41.12 40.04 1a88 n ASP 20 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1a88 s GLY 21 N -1.02 1.65 0.16 6.12 0.00 -0.76 -4.98 107.32 108.49 1a88 s GLY 21 Ca 0.34 -0.05 -0.31 0.00 0.00 0.00 0.00 44.72 44.69 1a88 s GLY 21 CO 0.23 0.27 1.53 -2.27 0.00 0.00 0.00 173.10 172.87 1a88 s LEU 22 N -5.49 4.37 -0.02 0.66 0.20 -1.26 -4.52 118.68 112.62 1a88 s LEU 22 Ca 0.58 2.57 -0.25 0.00 0.69 0.00 0.00 54.13 57.72 1a88 s LEU 22 Cb -0.13 -3.59 -0.04 0.00 -0.43 0.00 0.00 46.19 41.99 1a88 s LEU 22 CO 0.54 -0.79 0.76 -2.16 -0.29 0.00 0.00 176.35 174.41 1a88 s PRO 23 N 1.05 4.47 -0.16 0.98 0.04 -1.26 -2.10 135.00 138.01 1a88 s PRO 23 Ca 0.68 1.00 0.01 0.00 0.04 0.00 0.00 61.00 62.74 1a88 s PRO 23 Cb -0.42 -3.42 0.02 0.00 0.04 0.00 0.00 34.50 30.71 1a88 s PRO 23 CO 0.32 0.12 -0.18 0.08 0.04 0.00 0.00 177.00 177.37 1a88 s VAL 24 N 0.57 1.87 -0.13 -0.36 1.01 -0.54 -0.83 120.40 121.98 1a88 s VAL 24 Ca 0.40 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1a88 s VAL 24 Cb -0.19 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 1a88 s VAL 24 CO 0.21 0.51 -0.13 -0.69 0.00 0.00 0.00 175.10 175.00 1a88 s VAL 25 N 1.26 3.03 -0.12 2.92 1.01 0.33 -0.98 120.40 127.85 1a88 s VAL 25 Ca 0.02 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1a88 s VAL 25 Cb -0.13 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 1a88 s VAL 25 CO -0.10 0.52 -0.09 -0.36 0.00 0.00 0.00 175.10 175.08 1a88 s PHE 26 N 0.37 2.90 -0.30 5.22 0.08 0.57 -0.39 117.98 126.42 1a88 s PHE 26 Ca -0.11 -0.36 0.01 0.00 0.12 0.00 0.00 56.93 56.59 1a88 s PHE 26 Cb -0.16 -1.84 0.07 0.00 -0.57 0.00 0.00 43.02 40.52 1a88 s PHE 26 CO 0.06 -0.02 -0.01 -1.01 -0.10 0.00 0.00 175.22 174.14 1a88 s HIS 27 N 0.04 3.38 0.73 0.36 3.76 0.51 -3.99 115.29 120.08 1a88 s HIS 27 Ca -0.02 -2.25 -0.11 0.00 -0.15 0.00 0.00 55.06 52.52 1a88 s HIS 27 Cb -0.14 -2.29 0.03 0.00 1.11 0.00 0.00 32.58 31.29 1a88 s HIS 27 CO 0.04 -0.87 1.07 -3.38 -0.85 0.00 0.00 174.74 170.75 1a88 s HIS 28 N 1.14 2.89 0.32 1.40 -3.43 -1.26 -1.64 115.29 114.71 1a88 s HIS 28 Ca -0.03 1.45 -0.01 0.00 -0.80 0.00 0.00 55.06 55.67 1a88 s HIS 28 Cb -0.20 -2.96 0.07 0.00 -1.43 0.00 0.00 32.58 28.06 1a88 s HIS 28 CO -0.04 -1.49 0.44 0.41 -2.00 0.00 0.00 174.74 172.06 1a88 n GLY 29 N -1.70 0.31 3.81 -1.38 0.00 -1.19 -3.00 105.19 102.04 1a88 n GLY 29 Ca 0.08 -1.93 -0.37 0.00 0.00 0.00 0.00 46.02 43.81 1a88 n GLY 29 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1a88 s TRP 30 N -1.34 3.68 -0.83 1.61 -0.00 -1.26 -1.00 118.94 119.80 1a88 s TRP 30 Ca 0.28 1.45 0.00 0.00 -0.00 0.00 0.00 56.10 57.84 1a88 s TRP 30 Cb -0.01 -2.66 0.34 0.00 -0.00 0.00 0.00 33.47 31.14 1a88 s TRP 30 CO 0.19 0.34 1.65 -0.35 -0.00 0.00 0.00 176.95 178.78 1a88 n PRO 31 N 0.80 4.02 0.00 5.86 -0.04 -1.26 -4.96 135.00 139.42 1a88 n PRO 31 Ca -0.02 -4.34 0.00 0.00 -0.04 0.00 0.00 63.50 59.10 1a88 n PRO 31 Cb 0.51 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 1a88 n PRO 31 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1a88 n LEU 32 N -0.29 0.00 0.00 1.53 4.77 -0.17 -3.69 117.00 119.15 1a88 n LEU 32 Ca 0.45 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.32 1a88 n LEU 32 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1a88 n LEU 32 CO 0.46 0.00 0.38 -1.54 -1.33 0.00 0.00 177.39 175.37 1a88 n SER 33 N 0.00 -1.93 0.30 -1.43 3.41 -1.26 -4.05 113.62 108.66 1a88 n SER 33 Ca 0.00 -2.74 0.20 0.00 -0.26 0.00 0.00 58.87 56.07 1a88 n SER 33 Cb 0.00 3.34 0.98 0.00 -0.26 0.00 0.00 64.21 68.26 1a88 n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a88 h ALA 34 N 2.02 1.00 0.00 7.33 0.00 -1.91 -2.11 119.26 125.59 1a88 h ALA 34 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1a88 h ALA 34 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1a88 h ALA 34 CO 0.41 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.41 1a88 n ASP 35 N -3.02 0.68 0.20 0.00 9.92 -1.26 -2.26 116.55 120.80 1a88 n ASP 35 Ca -0.01 0.66 0.14 0.00 -0.53 0.00 0.00 54.79 55.05 1a88 n ASP 35 Cb 0.16 -0.81 0.69 0.00 -0.64 0.00 0.00 41.12 40.52 1a88 n ASP 35 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1a88 h ASP 36 N 0.00 0.00 -0.26 -2.24 3.58 -1.79 -3.04 116.42 112.67 1a88 h ASP 36 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1a88 h ASP 36 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1a88 h ASP 36 CO 0.00 0.00 0.00 0.79 -2.88 0.00 0.00 179.24 177.15 1a88 n TRP 37 N -2.49 0.33 -0.33 0.28 7.02 -0.96 -4.69 117.44 116.60 1a88 n TRP 37 Ca -0.00 -0.17 -0.05 0.00 -1.02 0.00 0.00 57.50 56.26 1a88 n TRP 37 Cb 0.13 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.98 1a88 n TRP 37 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1a88 n ASP 38 N 0.97 -0.72 0.02 -0.99 8.00 -1.15 0.03 116.55 122.72 1a88 n ASP 38 Ca 0.18 1.43 -0.10 0.00 0.71 0.00 0.00 54.79 57.00 1a88 n ASP 38 Cb 0.49 -0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 41.30 1a88 n ASP 38 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1a88 h ASN 39 N 0.00 -0.30 0.08 -2.24 -0.73 -1.90 -1.70 115.58 108.80 1a88 h ASN 39 Ca 0.19 0.05 -0.11 0.00 1.87 0.00 0.00 56.30 58.31 1a88 h ASN 39 Cb 0.40 0.14 -0.01 0.00 0.27 0.00 0.00 38.32 39.11 1a88 h ASN 39 CO -0.78 -0.14 -0.35 1.56 -0.37 0.00 0.00 177.43 177.35 1a88 h GLN 40 N -0.14 0.38 -0.53 6.67 7.50 -1.61 -1.42 115.11 125.96 1a88 h GLN 40 Ca 0.06 -0.17 -0.08 0.00 0.50 0.00 0.00 58.65 58.96 1a88 h GLN 40 Cb 0.22 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.72 1a88 h GLN 40 CO -0.14 0.69 0.04 0.52 -1.50 0.00 0.00 178.83 178.43 1a88 h MET 41 N 0.33 0.92 -0.32 1.46 2.86 -0.03 -1.43 114.93 118.72 1a88 h MET 41 Ca 0.04 -0.28 -0.14 0.00 -2.06 0.00 0.00 59.70 57.26 1a88 h MET 41 Cb 0.78 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1a88 h MET 41 CO 0.06 0.92 -0.36 -0.07 1.06 0.00 0.00 176.91 178.52 1a88 h LEU 42 N 0.80 0.78 -0.26 1.22 3.38 -1.22 -2.11 115.31 117.89 1a88 h LEU 42 Ca 0.16 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1a88 h LEU 42 Cb 0.48 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1a88 h LEU 42 CO 0.02 1.06 0.12 0.15 0.09 0.00 0.00 178.44 179.88 1a88 h PHE 43 N 0.62 0.39 -0.57 1.13 3.57 -1.03 -1.45 116.94 119.59 1a88 h PHE 43 Ca 0.06 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 1a88 h PHE 43 Cb 0.90 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 1a88 h PHE 43 CO 0.05 0.38 -0.06 0.74 -2.23 0.00 0.00 178.31 177.19 1a88 h PHE 44 N 0.28 1.17 -0.67 0.41 0.04 -1.26 -2.46 116.94 114.46 1a88 h PHE 44 Ca 0.09 -0.23 0.09 0.00 2.80 0.00 0.00 57.97 60.72 1a88 h PHE 44 Cb 0.15 -0.30 -0.07 0.00 2.20 0.00 0.00 35.95 37.94 1a88 h PHE 44 CO -0.01 1.06 0.31 -0.07 -0.60 0.00 0.00 178.31 179.00 1a88 h LEU 45 N 0.95 0.40 -1.93 1.54 3.38 -1.30 -0.89 115.31 117.46 1a88 h LEU 45 Ca 0.15 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1a88 h LEU 45 Cb 0.63 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1a88 h LEU 45 CO 0.04 0.23 0.00 0.77 0.09 0.00 0.00 178.44 179.57 1a88 h SER 46 N 0.55 0.00 -0.58 -0.43 4.64 -0.78 -1.75 113.55 115.20 1a88 h SER 46 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1a88 h SER 46 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1a88 h SER 46 CO -0.27 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.10 1a88 n HIS 47 N -2.80 1.41 -0.96 4.77 8.25 -0.43 -4.95 115.22 120.50 1a88 n HIS 47 Ca -0.01 -0.64 0.00 0.00 -0.26 0.00 0.00 57.72 56.81 1a88 n HIS 47 Cb 0.15 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.00 1a88 n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a88 n GLY 48 N 0.85 0.42 3.92 -1.41 0.00 -0.66 -5.07 105.19 103.25 1a88 n GLY 48 Ca 0.24 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 1a88 n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a88 s TYR 49 N -2.00 3.50 -0.07 1.61 2.02 -0.64 -4.64 117.35 117.14 1a88 s TYR 49 Ca 0.00 0.49 -0.23 0.00 -0.37 0.00 0.00 57.07 56.96 1a88 s TYR 49 Cb 0.00 -2.00 -0.04 0.00 -0.40 0.00 0.00 41.96 39.52 1a88 s TYR 49 CO 0.00 0.12 0.69 0.50 -1.57 0.00 0.00 175.55 175.29 1a88 s ARG 50 N -4.02 4.43 -0.11 -0.62 3.52 -0.89 -4.35 118.95 116.90 1a88 s ARG 50 Ca 0.42 0.86 0.02 0.00 -0.13 0.00 0.00 55.73 56.90 1a88 s ARG 50 Cb -0.10 -3.45 0.01 0.00 -1.56 0.00 0.00 34.95 29.86 1a88 s ARG 50 CO 0.34 0.07 -0.16 0.14 -0.81 0.00 0.00 175.30 174.89 1a88 s VAL 51 N 0.78 1.58 0.02 7.11 -7.23 0.62 -1.47 120.40 121.79 1a88 s VAL 51 Ca 0.37 -0.69 0.08 0.00 -1.81 0.00 0.00 61.98 59.93 1a88 s VAL 51 Cb -0.18 -1.43 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 1a88 s VAL 51 CO 0.18 0.46 -0.23 -0.63 -0.31 0.00 0.00 175.10 174.57 1a88 s ILE 52 N 0.98 1.82 -0.22 -0.62 1.01 -0.15 -0.48 121.20 123.53 1a88 s ILE 52 Ca -0.06 -1.13 -0.14 0.00 0.00 0.00 0.00 60.65 59.31 1a88 s ILE 52 Cb -0.15 -1.54 0.07 0.00 0.01 0.00 0.00 42.46 40.85 1a88 s ILE 52 CO -0.02 0.37 0.55 0.00 0.00 0.00 0.00 174.94 175.85 1a88 s ALA 53 N -0.68 -1.45 0.27 9.38 0.00 -0.91 -0.32 121.76 128.05 1a88 s ALA 53 Ca 0.09 1.90 0.10 0.00 0.00 0.00 0.00 51.96 54.04 1a88 s ALA 53 Cb -0.09 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 1a88 s ALA 53 CO 0.01 -0.31 -0.01 -3.38 0.00 0.00 0.00 175.76 172.07 1a88 s HIS 54 N 1.26 2.68 -0.19 0.00 -3.43 -1.26 -0.38 115.29 113.97 1a88 s HIS 54 Ca -0.08 -0.23 -0.21 0.00 -0.80 0.00 0.00 55.06 53.74 1a88 s HIS 54 Cb -0.06 -1.20 -0.03 0.00 -1.43 0.00 0.00 32.58 29.86 1a88 s HIS 54 CO -0.13 0.62 0.62 -0.51 -2.00 0.00 0.00 174.74 173.34 1a88 s ASP 55 N -3.67 6.69 0.60 7.38 1.01 -0.16 -3.92 116.67 124.60 1a88 s ASP 55 Ca 0.32 0.83 -0.19 0.00 0.71 0.00 0.00 52.55 54.22 1a88 s ASP 55 Cb -0.06 -2.34 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 1a88 s ASP 55 CO 0.20 -0.25 1.12 -1.14 0.21 0.00 0.00 175.17 175.31 1a88 n ARG 56 N 4.95 1.11 -1.67 8.23 0.63 -1.26 -4.37 116.66 124.28 1a88 n ARG 56 Ca -0.02 0.42 -0.43 0.00 -0.92 0.00 0.00 57.85 56.90 1a88 n ARG 56 Cb 0.50 -2.33 -0.01 0.00 0.45 0.00 0.00 32.46 31.07 1a88 n ARG 56 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1a88 n ARG 57 N -1.21 1.95 -1.04 -0.14 1.85 -1.26 -0.63 116.66 116.18 1a88 n ARG 57 Ca 0.14 0.69 -0.01 0.00 -1.00 0.00 0.00 57.85 57.66 1a88 n ARG 57 Cb 0.47 -2.24 -0.01 0.00 -1.05 0.00 0.00 32.46 29.63 1a88 n ARG 57 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1a88 n GLY 58 N 1.18 0.48 3.22 2.89 0.00 0.16 -5.00 105.19 108.12 1a88 n GLY 58 Ca 0.07 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 1a88 n GLY 58 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a88 s HIS 59 N -1.87 1.22 0.00 1.61 3.76 0.19 -0.92 115.29 119.28 1a88 s HIS 59 Ca 0.00 -0.67 0.00 0.00 -0.15 0.00 0.00 55.06 54.24 1a88 s HIS 59 Cb 0.00 -0.64 0.00 0.00 1.11 0.00 0.00 32.58 33.05 1a88 s HIS 59 CO 0.00 0.07 0.00 0.41 -0.85 0.00 0.00 174.74 174.37 1a88 n GLY 60 N 0.25 3.11 1.01 -2.22 0.00 -1.26 -1.37 105.19 104.71 1a88 n GLY 60 Ca -0.14 0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1a88 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a88 n ARG 61 N 14.00 2.37 -1.32 1.61 1.74 -1.26 -4.40 116.66 129.40 1a88 n ARG 61 Ca 0.00 -2.02 -0.29 0.00 -0.77 0.00 0.00 57.85 54.77 1a88 n ARG 61 Cb 0.00 -1.48 0.14 0.00 -1.02 0.00 0.00 32.46 30.10 1a88 n ARG 61 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1a88 s SER 62 N -1.85 3.52 1.02 0.55 0.01 -0.47 -4.62 113.70 111.86 1a88 s SER 62 Ca 0.32 1.30 -0.12 0.00 1.31 0.00 0.00 55.95 58.76 1a88 s SER 62 Cb 0.21 -1.98 0.21 0.00 0.21 0.00 0.00 66.02 64.66 1a88 s SER 62 CO 0.31 -2.59 1.08 -1.81 0.41 0.00 0.00 173.24 170.64 1a88 s ASP 63 N -3.62 2.15 -0.67 2.44 1.01 -0.52 -4.51 116.67 112.95 1a88 s ASP 63 Ca 0.63 1.74 0.05 0.00 0.71 0.00 0.00 52.55 55.68 1a88 s ASP 63 Cb -0.17 -2.37 0.18 0.00 1.01 0.00 0.00 42.92 41.57 1a88 s ASP 63 CO 0.56 -3.51 0.50 0.00 0.21 0.00 0.00 175.17 172.93 1a88 n GLN 64 N -4.47 1.70 -1.48 8.23 6.02 -1.26 -0.67 117.38 125.45 1a88 n GLN 64 Ca 0.07 -4.36 -0.30 0.00 -0.01 0.00 0.00 57.00 52.40 1a88 n GLN 64 Cb 0.54 -2.21 0.11 0.00 1.02 0.00 0.00 30.24 29.69 1a88 n GLN 64 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1a88 s PRO 65 N -1.38 1.76 0.21 -1.09 0.04 -1.26 -4.97 135.00 128.31 1a88 s PRO 65 Ca 0.27 0.62 0.05 0.00 0.04 0.00 0.00 61.00 61.98 1a88 s PRO 65 Cb -0.02 -1.88 0.15 0.00 0.04 0.00 0.00 34.50 32.79 1a88 s PRO 65 CO -0.16 -1.84 1.49 1.03 0.04 0.00 0.00 177.00 177.56 1a88 h SER 66 N -1.25 0.21 -3.75 6.66 0.87 -2.03 -3.46 113.55 110.80 1a88 h SER 66 Ca -0.48 -0.14 -0.50 0.00 -1.23 0.00 0.00 61.79 59.44 1a88 h SER 66 Cb 1.28 -0.06 -0.13 0.00 -0.44 0.00 0.00 62.40 63.04 1a88 h SER 66 CO 0.59 0.86 -0.54 0.42 -0.53 0.00 0.00 176.83 177.63 1a88 s THR 67 N -3.49 0.57 0.00 2.23 -4.23 -1.26 -4.88 115.64 104.58 1a88 s THR 67 Ca -0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1a88 s THR 67 Cb 0.11 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1a88 s THR 67 CO 0.80 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.49 1a88 n GLY 68 N -0.77 0.89 2.69 3.99 0.00 -1.26 -5.00 105.19 105.74 1a88 n GLY 68 Ca -0.03 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1a88 n GLY 68 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a88 n HIS 69 N -2.37 3.01 -3.73 1.61 -0.00 -1.26 -4.53 115.22 107.95 1a88 n HIS 69 Ca 0.00 -2.90 -0.10 0.00 -0.00 0.00 0.00 57.72 54.73 1a88 n HIS 69 Cb 0.05 -2.21 -0.05 0.00 -0.00 0.00 0.00 29.99 27.78 1a88 n HIS 69 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 1a88 s ASP 70 N 1.74 -0.12 0.26 0.41 1.47 -1.26 -4.56 116.67 114.60 1a88 s ASP 70 Ca 0.48 -0.48 -0.03 0.00 1.18 0.00 0.00 52.55 53.70 1a88 s ASP 70 Cb 0.13 0.45 0.32 0.00 -0.34 0.00 0.00 42.92 43.48 1a88 s ASP 70 CO -0.05 -0.85 1.81 0.24 0.68 0.00 0.00 175.17 177.00 1a88 h MET 71 N 2.45 0.95 -0.35 2.11 2.86 -1.89 -0.50 114.93 120.57 1a88 h MET 71 Ca -0.33 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.11 1a88 h MET 71 Cb 1.24 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 1a88 h MET 71 CO 0.48 0.82 0.16 -0.44 1.06 0.00 0.00 176.91 178.99 1a88 h ASP 72 N 0.92 0.46 -0.54 1.22 3.32 -1.97 -0.29 116.42 119.54 1a88 h ASP 72 Ca 0.21 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 1a88 h ASP 72 Cb 0.27 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1a88 h ASP 72 CO -0.01 0.48 -0.02 0.74 -1.72 0.00 0.00 179.24 178.71 1a88 h THR 73 N 0.42 1.26 -0.61 0.35 2.02 -1.76 -1.71 112.91 112.88 1a88 h THR 73 Ca 0.12 -1.15 0.01 0.00 0.77 0.00 0.00 66.41 66.16 1a88 h THR 73 Cb 0.14 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1a88 h THR 73 CO -0.01 0.41 0.40 1.88 0.37 0.00 0.00 175.52 178.57 1a88 h TYR 74 N 0.91 0.76 -0.01 3.16 0.05 -0.89 0.14 116.97 121.09 1a88 h TYR 74 Ca 0.16 0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.86 1a88 h TYR 74 Cb 0.56 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 1a88 h TYR 74 CO 0.04 0.48 -0.46 0.00 -1.05 0.00 0.00 178.16 177.17 1a88 h ALA 75 N 1.23 1.23 -0.03 3.88 0.00 -0.91 -2.24 119.26 122.43 1a88 h ALA 75 Ca 0.23 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 1a88 h ALA 75 Cb -0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1a88 h ALA 75 CO -0.05 0.58 -0.67 0.00 0.00 0.00 0.00 179.25 179.10 1a88 h ALA 76 N 1.53 0.82 -0.39 0.00 0.00 -0.56 -1.97 119.26 118.69 1a88 h ALA 76 Ca -0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 54.91 54.19 1a88 h ALA 76 Cb 0.81 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1a88 h ALA 76 CO 0.06 0.80 -0.23 -0.44 0.00 0.00 0.00 179.25 179.43 1a88 h ASP 77 N 0.09 0.81 -0.57 0.00 3.32 -0.49 -0.30 116.42 119.28 1a88 h ASP 77 Ca -0.01 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 1a88 h ASP 77 Cb 1.20 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 1a88 h ASP 77 CO 0.10 1.01 0.32 0.58 -1.72 0.00 0.00 179.24 179.53 1a88 h VAL 78 N 0.69 1.19 -0.84 -1.35 2.07 -1.13 -2.43 116.25 114.44 1a88 h VAL 78 Ca 0.09 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 1a88 h VAL 78 Cb 0.76 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1a88 h VAL 78 CO 0.06 0.20 0.41 0.00 0.02 0.00 0.00 177.57 178.27 1a88 h ALA 79 N 1.14 1.09 -0.57 1.67 0.00 -0.96 -0.53 119.26 121.10 1a88 h ALA 79 Ca 0.20 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1a88 h ALA 79 Cb 0.04 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 1a88 h ALA 79 CO -0.03 0.64 0.31 0.00 0.00 0.00 0.00 179.25 180.17 1a88 h ALA 80 N 1.22 0.74 -0.35 0.00 0.00 -0.64 -1.33 119.26 118.90 1a88 h ALA 80 Ca 0.29 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 1a88 h ALA 80 Cb 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1a88 h ALA 80 CO -0.04 -0.02 -0.09 1.25 0.00 0.00 0.00 179.25 180.36 1a88 h LEU 81 N 0.59 0.68 -1.07 0.00 5.85 -0.94 -1.80 115.31 118.61 1a88 h LEU 81 Ca 0.25 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1a88 h LEU 81 Cb 0.13 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1a88 h LEU 81 CO -0.16 0.89 -0.24 0.71 -0.34 0.00 0.00 178.44 179.30 1a88 h THR 82 N 0.46 0.57 0.02 1.05 1.35 -0.89 -1.94 112.91 113.54 1a88 h THR 82 Ca 0.09 -1.16 -0.12 0.00 -0.55 0.00 0.00 66.41 64.67 1a88 h THR 82 Cb 0.59 1.79 0.01 0.00 -1.73 0.00 0.00 68.15 68.81 1a88 h THR 82 CO 0.03 0.23 -0.48 -0.08 -0.25 0.00 0.00 175.52 174.98 1a88 h GLU 83 N 0.00 0.29 -0.33 4.72 4.81 -1.22 0.15 114.58 122.99 1a88 h GLU 83 Ca -0.00 -0.34 0.05 0.00 -0.13 0.00 0.00 59.36 58.95 1a88 h GLU 83 Cb 0.77 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 1a88 h GLU 83 CO 0.03 1.05 0.23 0.00 -0.73 0.00 0.00 179.01 179.59 1a88 h ALA 84 N 0.24 2.03 0.00 2.92 0.00 -1.08 -2.29 119.26 121.09 1a88 h ALA 84 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1a88 h ALA 84 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1a88 h ALA 84 CO 0.09 -0.10 -0.94 1.28 0.00 0.00 0.00 179.25 179.59 1a88 n LEU 85 N -4.48 0.68 -3.54 0.00 4.77 -0.75 -4.99 117.00 108.69 1a88 n LEU 85 Ca 0.04 -0.16 -0.23 0.00 -0.03 0.00 0.00 56.01 55.63 1a88 n LEU 85 Cb 0.25 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.29 1a88 n LEU 85 CO 0.35 0.12 -0.03 -0.67 -1.33 0.00 0.00 177.39 175.83 1a88 n ASP 86 N -1.72 -4.43 -4.79 -1.43 2.03 0.41 -4.95 116.55 101.66 1a88 n ASP 86 Ca 0.03 -0.85 -0.36 0.00 0.52 0.00 0.00 54.79 54.14 1a88 n ASP 86 Cb 0.39 -4.23 -0.06 0.00 -0.72 0.00 0.00 41.12 36.50 1a88 n ASP 86 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1a88 s LEU 87 N -6.18 4.17 0.00 -2.67 1.43 -0.49 -5.03 118.68 109.91 1a88 s LEU 87 Ca 0.32 1.84 0.02 0.00 -1.03 0.00 0.00 54.13 55.28 1a88 s LEU 87 Cb -0.08 -4.22 -0.01 0.00 0.03 0.00 0.00 46.19 41.91 1a88 s LEU 87 CO 0.80 -0.26 -0.06 -0.13 0.23 0.00 0.00 176.35 176.93 1a88 s ARG 88 N -2.51 0.47 -1.60 1.70 1.81 -1.26 -4.51 118.95 113.05 1a88 s ARG 88 Ca 0.56 -0.30 -0.01 0.00 -1.72 0.00 0.00 55.73 54.25 1a88 s ARG 88 Cb -0.16 -0.42 0.00 0.00 -0.45 0.00 0.00 34.95 33.92 1a88 s ARG 88 CO 0.21 0.11 0.14 0.41 -0.68 0.00 0.00 175.30 175.49 1a88 n GLY 89 N 2.67 -0.43 3.81 -3.53 0.00 0.43 -4.79 105.19 103.35 1a88 n GLY 89 Ca -0.15 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 1a88 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a88 s ALA 90 N -3.01 2.94 -0.20 4.61 0.00 -0.85 -4.24 121.76 121.01 1a88 s ALA 90 Ca 0.07 0.44 -0.08 0.00 0.00 0.00 0.00 51.96 52.39 1a88 s ALA 90 Cb -0.03 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1a88 s ALA 90 CO 0.08 -0.23 0.08 0.08 0.00 0.00 0.00 175.76 175.78 1a88 s VAL 91 N -2.21 4.86 -0.22 0.00 1.01 -0.01 -0.36 120.40 123.47 1a88 s VAL 91 Ca 0.64 -0.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.55 1a88 s VAL 91 Cb -0.13 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1a88 s VAL 91 CO 0.22 0.43 0.04 -1.00 0.00 0.00 0.00 175.10 174.78 1a88 s HIS 92 N 0.61 3.09 -0.17 5.22 3.76 -0.86 -0.51 115.29 126.44 1a88 s HIS 92 Ca 0.04 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.60 1a88 s HIS 92 Cb -0.13 -2.14 0.01 0.00 1.11 0.00 0.00 32.58 31.43 1a88 s HIS 92 CO 0.01 -0.22 -0.16 0.42 -0.85 0.00 0.00 174.74 173.95 1a88 s ILE 93 N 1.13 2.53 -0.02 0.60 1.01 0.47 -0.18 121.20 126.75 1a88 s ILE 93 Ca 0.03 -0.80 0.06 0.00 0.00 0.00 0.00 60.65 59.94 1a88 s ILE 93 Cb -0.14 -2.08 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 1a88 s ILE 93 CO 0.02 0.51 -0.19 -0.83 0.00 0.00 0.00 174.94 174.46 1a88 s GLY 94 N 1.07 0.92 -0.08 6.18 0.00 -0.25 -0.36 107.32 114.81 1a88 s GLY 94 Ca -0.00 -0.81 0.04 0.00 0.00 0.00 0.00 44.72 43.95 1a88 s GLY 94 CO -0.05 -0.67 -0.19 -1.58 0.00 0.00 0.00 173.10 170.61 1a88 s HIS 95 N -0.43 2.60 0.00 1.90 2.46 -0.65 -0.87 115.29 120.30 1a88 s HIS 95 Ca 0.07 -0.58 0.00 0.00 0.47 0.00 0.00 55.06 55.02 1a88 s HIS 95 Cb -0.07 -1.67 0.00 0.00 -0.13 0.00 0.00 32.58 30.70 1a88 s HIS 95 CO -0.01 -0.13 0.00 0.45 -2.47 0.00 0.00 174.74 172.58 1a88 n SER 96 N 2.97 0.00 -0.05 9.88 2.88 -0.47 0.93 113.62 129.76 1a88 n SER 96 Ca -0.18 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.54 1a88 n SER 96 Cb 0.52 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.60 1a88 n SER 96 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1a88 h THR 97 N 0.00 0.77 0.00 2.46 2.02 -1.84 0.11 112.91 116.43 1a88 h THR 97 Ca 0.00 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1a88 h THR 97 Cb 0.00 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1a88 h THR 97 CO 0.00 0.03 -0.15 1.23 0.37 0.00 0.00 175.52 177.00 1a88 h GLY 98 N 0.16 0.00 1.85 2.16 0.00 0.66 -1.80 103.07 106.10 1a88 h GLY 98 Ca 0.28 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.51 1a88 h GLY 98 CO -0.04 0.00 -0.41 -1.33 0.00 0.00 0.00 176.54 174.76 1a88 h GLY 99 N 1.17 0.18 0.89 4.60 0.00 -0.72 -0.31 103.07 108.88 1a88 h GLY 99 Ca -0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 1a88 h GLY 99 CO 0.02 0.16 -0.27 -1.33 0.00 0.00 0.00 176.54 175.12 1a88 h GLY 100 N 1.24 0.62 0.97 4.60 0.00 -1.34 -0.94 103.07 108.22 1a88 h GLY 100 Ca 0.01 -0.66 0.01 0.00 0.00 0.00 0.00 47.33 46.69 1a88 h GLY 100 CO 0.06 0.60 0.50 -2.09 0.00 0.00 0.00 176.54 175.61 1a88 h GLU 101 N 0.26 0.99 -0.04 4.80 4.81 -1.23 -2.16 114.58 122.00 1a88 h GLU 101 Ca 0.03 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1a88 h GLU 101 Cb 0.84 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 1a88 h GLU 101 CO 0.06 0.65 0.02 0.28 -0.73 0.00 0.00 179.01 179.30 1a88 h VAL 102 N 1.02 1.08 -0.46 0.32 2.07 -0.82 -1.19 116.25 118.26 1a88 h VAL 102 Ca 0.29 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.64 1a88 h VAL 102 Cb -0.09 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 1a88 h VAL 102 CO -0.07 0.06 0.19 0.00 0.02 0.00 0.00 177.57 177.77 1a88 h ALA 103 N 0.93 0.57 -0.47 1.67 0.00 -0.82 -0.70 119.26 120.43 1a88 h ALA 103 Ca 0.01 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1a88 h ALA 103 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1a88 h ALA 103 CO -0.00 -0.19 -0.22 -0.09 0.00 0.00 0.00 179.25 178.75 1a88 h ARG 104 N 0.38 0.98 -0.22 0.00 2.43 -1.37 -2.08 114.38 114.50 1a88 h ARG 104 Ca 0.21 -0.42 -0.03 0.00 -0.81 0.00 0.00 59.98 58.93 1a88 h ARG 104 Cb 0.18 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1a88 h ARG 104 CO -0.19 1.10 0.03 -0.92 -1.51 0.00 0.00 179.97 178.47 1a88 h TYR 105 N 0.83 0.40 -0.80 2.20 3.20 -1.01 -3.00 116.97 118.79 1a88 h TYR 105 Ca 0.11 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 1a88 h TYR 105 Cb 0.80 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 1a88 h TYR 105 CO 0.05 0.52 0.33 0.28 -1.64 0.00 0.00 178.16 177.70 1a88 h VAL 106 N 0.16 1.26 -0.04 1.81 2.07 -1.11 -0.18 116.25 120.22 1a88 h VAL 106 Ca 0.07 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 1a88 h VAL 106 Cb 0.34 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1a88 h VAL 106 CO 0.01 0.33 -0.13 0.00 0.02 0.00 0.00 177.57 177.79 1a88 h ALA 107 N 1.19 1.70 -0.11 1.67 0.00 -1.32 -2.95 119.26 119.44 1a88 h ALA 107 Ca 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1a88 h ALA 107 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1a88 h ALA 107 CO -0.02 0.22 0.00 0.54 0.00 0.00 0.00 179.25 179.99 1a88 n ARG 108 N -4.35 1.58 -2.24 0.00 1.74 -0.92 -4.90 116.66 107.58 1a88 n ARG 108 Ca -0.02 -1.64 -0.34 0.00 -0.77 0.00 0.00 57.85 55.08 1a88 n ARG 108 Cb 0.22 -1.34 -0.00 0.00 -1.02 0.00 0.00 32.46 30.33 1a88 n ARG 108 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a88 s ALA 109 N -1.32 2.73 0.29 7.54 0.00 -0.13 -4.96 121.76 125.90 1a88 s ALA 109 Ca 0.22 0.63 -0.30 0.00 0.00 0.00 0.00 51.96 52.51 1a88 s ALA 109 Cb 0.15 -3.29 -0.12 0.00 0.00 0.00 0.00 23.12 19.85 1a88 s ALA 109 CO 0.21 -0.70 1.60 0.39 0.00 0.00 0.00 175.76 177.26 1a88 n GLU 110 N -1.50 2.70 -1.73 0.00 1.02 -1.26 -4.91 120.64 114.97 1a88 n GLU 110 Ca 0.10 0.96 -0.40 0.00 -0.02 0.00 0.00 57.16 57.80 1a88 n GLU 110 Cb 0.52 -2.75 0.02 0.00 -0.02 0.00 0.00 31.44 29.21 1a88 n GLU 110 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1a88 n PRO 111 N 2.30 1.99 0.00 3.49 -0.02 -1.26 -2.39 135.00 139.11 1a88 n PRO 111 Ca 0.09 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1a88 n PRO 111 Cb 0.36 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1a88 n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a88 n GLY 112 N 0.73 3.29 0.16 -1.23 0.00 -1.26 -4.87 105.19 102.01 1a88 n GLY 112 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1a88 n GLY 112 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1a88 h ARG 113 N 2.13 0.23 -5.92 1.61 2.47 -1.70 0.12 114.38 113.32 1a88 h ARG 113 Ca 0.00 -0.16 -0.69 0.00 -1.26 0.00 0.00 59.98 57.87 1a88 h ARG 113 Cb 0.00 0.03 -0.32 0.00 -1.65 0.00 0.00 29.97 28.03 1a88 h ARG 113 CO 0.00 0.78 -0.88 0.08 0.56 0.00 0.00 179.97 180.51 1a88 s VAL 114 N -3.71 2.07 -0.27 2.04 1.01 -1.26 -2.01 120.40 118.26 1a88 s VAL 114 Ca -0.04 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 60.83 1a88 s VAL 114 Cb 0.12 -1.75 -0.15 0.00 0.00 0.00 0.00 36.38 34.60 1a88 s VAL 114 CO 0.80 0.57 -0.28 0.00 0.00 0.00 0.00 175.10 176.18 1a88 n ALA 115 N 3.02 1.33 -2.86 5.51 0.00 0.51 -4.76 120.51 123.26 1a88 n ALA 115 Ca -0.18 -1.11 -0.10 0.00 0.00 0.00 0.00 53.44 52.06 1a88 n ALA 115 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 1a88 n ALA 115 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1a88 s LYS 116 N -2.52 1.12 0.03 0.00 1.02 -1.20 -4.34 119.74 113.86 1a88 s LYS 116 Ca -0.37 -0.97 -0.02 0.00 0.02 0.00 0.00 55.97 54.63 1a88 s LYS 116 Cb 0.12 0.42 -0.02 0.00 -0.52 0.00 0.00 37.83 37.82 1a88 s LYS 116 CO 0.55 -0.42 0.02 0.00 -0.92 0.00 0.00 175.35 174.58 1a88 s ALA 117 N -3.89 0.13 -0.06 5.17 0.00 -0.71 -2.02 121.76 120.37 1a88 s ALA 117 Ca 0.10 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.38 1a88 s ALA 117 Cb 0.02 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.37 1a88 s ALA 117 CO -0.05 -0.26 -0.06 0.08 0.00 0.00 0.00 175.76 175.47 1a88 s VAL 118 N -2.34 0.71 -0.38 0.00 1.01 0.74 -1.57 120.40 118.57 1a88 s VAL 118 Ca -0.08 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 1a88 s VAL 118 Cb -0.03 -0.72 0.07 0.00 0.00 0.00 0.00 36.38 35.70 1a88 s VAL 118 CO -0.04 0.28 0.17 -0.76 0.00 0.00 0.00 175.10 174.74 1a88 s LEU 119 N 1.09 4.77 -0.22 3.92 1.43 -0.35 -1.08 118.68 128.24 1a88 s LEU 119 Ca -0.08 -1.50 -0.07 0.00 -1.03 0.00 0.00 54.13 51.44 1a88 s LEU 119 Cb -0.14 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 1a88 s LEU 119 CO -0.01 -0.44 0.07 -0.69 0.23 0.00 0.00 176.35 175.51 1a88 s VAL 120 N 1.32 4.55 -1.59 -1.59 1.01 -0.05 -0.76 120.40 123.30 1a88 s VAL 120 Ca 0.02 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 1a88 s VAL 120 Cb -0.22 -3.09 0.13 0.00 0.00 0.00 0.00 36.38 33.20 1a88 s VAL 120 CO 0.00 0.39 0.77 -1.20 0.00 0.00 0.00 175.10 175.06 1a88 n SER 121 N 4.30 -3.69 -4.89 3.32 7.64 -0.01 -1.37 113.62 118.91 1a88 n SER 121 Ca -0.16 -0.84 -0.29 0.00 1.01 0.00 0.00 58.87 58.58 1a88 n SER 121 Cb 0.52 -3.01 -0.03 0.00 -1.01 0.00 0.00 64.21 60.68 1a88 n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a88 s ALA 122 N -3.20 3.53 0.32 -0.43 0.00 -1.26 -2.90 121.76 117.82 1a88 s ALA 122 Ca 0.67 -0.44 0.06 0.00 0.00 0.00 0.00 51.96 52.25 1a88 s ALA 122 Cb -0.36 -2.43 0.56 0.00 0.00 0.00 0.00 23.12 20.89 1a88 s ALA 122 CO 0.82 0.16 1.79 -0.39 0.00 0.00 0.00 175.76 178.15 1a88 h VAL 123 N 1.27 1.24 -3.75 0.00 -1.51 -1.88 -3.45 116.25 108.19 1a88 h VAL 123 Ca -0.47 -1.13 -0.54 0.00 -1.23 0.00 0.00 66.70 63.32 1a88 h VAL 123 Cb 1.19 1.35 0.19 0.00 -2.13 0.00 0.00 31.29 31.89 1a88 h VAL 123 CO 0.65 0.35 -0.10 -2.65 -1.23 0.00 0.00 177.57 174.60 1a88 n PRO 124 N -4.16 0.03 -0.06 5.19 -0.02 -1.26 -3.79 135.00 130.94 1a88 n PRO 124 Ca -0.01 0.07 -0.13 0.00 -2.02 0.00 0.00 63.50 61.42 1a88 n PRO 124 Cb 0.36 -2.13 -0.07 0.00 -0.02 0.00 0.00 33.50 31.65 1a88 n PRO 124 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1a88 h PRO 125 N -1.03 0.38 -2.10 0.52 0.11 -1.77 -3.40 132.00 124.71 1a88 h PRO 125 Ca -0.45 -0.20 -0.02 0.00 0.11 0.00 0.00 66.00 65.44 1a88 h PRO 125 Cb 1.30 0.01 -0.22 0.00 0.11 0.00 0.00 31.00 32.21 1a88 h PRO 125 CO 0.42 0.76 0.02 0.54 -0.21 0.00 0.00 178.00 179.53 1a88 s VAL 126 N -4.29 -0.00 -0.16 3.15 0.11 -1.25 0.32 120.40 118.28 1a88 s VAL 126 Ca -0.14 0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 58.74 1a88 s VAL 126 Cb 0.05 -0.94 -0.23 0.00 -1.53 0.00 0.00 36.38 33.73 1a88 s VAL 126 CO 0.76 0.00 0.38 0.24 -3.33 0.00 0.00 175.10 173.15 1a88 h MET 127 N 6.11 0.11 -7.10 1.54 2.86 -1.73 -3.47 114.93 113.25 1a88 h MET 127 Ca -0.30 -0.19 -0.49 0.00 -2.06 0.00 0.00 59.70 56.66 1a88 h MET 127 Cb 1.20 0.07 0.06 0.00 0.06 0.00 0.00 31.60 32.98 1a88 h MET 127 CO 0.13 1.09 0.41 0.54 1.06 0.00 0.00 176.91 180.14 1a88 s VAL 128 N -2.42 3.45 0.18 -2.22 0.11 -0.19 -1.46 120.40 117.86 1a88 s VAL 128 Ca -0.25 0.86 -0.31 0.00 -2.93 0.00 0.00 61.98 59.36 1a88 s VAL 128 Cb 0.05 -3.34 -0.09 0.00 -1.53 0.00 0.00 36.38 31.47 1a88 s VAL 128 CO 0.68 -0.24 1.41 -0.75 -3.33 0.00 0.00 175.10 172.87 1a88 s LYS 129 N -3.41 4.31 0.16 1.54 2.20 0.36 -4.63 119.74 120.26 1a88 s LYS 129 Ca 0.69 2.18 -0.03 0.00 -0.36 0.00 0.00 55.97 58.45 1a88 s LYS 129 Cb -0.20 -3.18 0.01 0.00 -1.51 0.00 0.00 37.83 32.95 1a88 s LYS 129 CO 0.27 -0.41 0.27 -1.13 -0.36 0.00 0.00 175.35 173.98 1a88 n SER 130 N 3.16 -0.76 0.10 1.43 3.41 -0.98 -4.85 113.62 115.13 1a88 n SER 130 Ca 0.09 -1.76 0.02 0.00 -0.26 0.00 0.00 58.87 56.96 1a88 n SER 130 Cb 0.41 1.34 0.38 0.00 -0.26 0.00 0.00 64.21 66.08 1a88 n SER 130 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1a88 h ASP 131 N 0.85 0.27 0.04 4.04 3.32 -2.02 -2.08 116.42 120.85 1a88 h ASP 131 Ca -0.13 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1a88 h ASP 131 Cb 0.52 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1a88 h ASP 131 CO 0.17 0.41 -0.20 0.35 -1.72 0.00 0.00 179.24 178.24 1a88 n THR 132 N -4.28 0.00 -3.18 0.35 -2.24 -1.26 -4.71 114.28 98.96 1a88 n THR 132 Ca -0.00 -0.29 -0.20 0.00 -2.27 0.00 0.00 64.05 61.29 1a88 n THR 132 Cb 0.26 0.96 -0.06 0.00 -2.10 0.00 0.00 70.33 69.39 1a88 n THR 132 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1a88 n ASN 133 N 0.23 -1.39 0.25 3.42 5.15 -0.78 -5.01 115.26 117.13 1a88 n ASN 133 Ca 0.13 -2.58 0.13 0.00 -0.60 0.00 0.00 54.58 51.66 1a88 n ASN 133 Cb 0.45 0.19 0.56 0.00 -0.53 0.00 0.00 39.78 40.45 1a88 n ASN 133 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1a88 h PRO 134 N 5.29 0.00 -0.01 1.20 0.13 -1.84 -2.54 132.00 134.23 1a88 h PRO 134 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1a88 h PRO 134 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1a88 h PRO 134 CO 0.27 0.13 -0.10 -0.25 -0.23 0.00 0.00 178.00 177.82 1a88 n ASP 135 N -3.30 0.88 -3.49 1.44 9.92 -1.26 -4.94 116.55 115.80 1a88 n ASP 135 Ca 0.00 -0.99 -0.30 0.00 -0.53 0.00 0.00 54.79 52.97 1a88 n ASP 135 Cb 0.37 0.01 0.28 0.00 -0.64 0.00 0.00 41.12 41.14 1a88 n ASP 135 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1a88 s GLY 136 N -2.28 1.43 0.12 0.44 0.00 -1.08 -4.95 107.32 101.00 1a88 s GLY 136 Ca 0.33 -0.82 -0.18 0.00 0.00 0.00 0.00 44.72 44.05 1a88 s GLY 136 CO 0.43 0.18 0.59 1.08 0.00 0.00 0.00 173.10 175.38 1a88 s LEU 137 N -7.76 4.44 0.64 0.66 1.43 -0.54 -4.46 118.68 113.09 1a88 s LEU 137 Ca 0.69 1.23 -0.17 0.00 -1.03 0.00 0.00 54.13 54.84 1a88 s LEU 137 Cb -0.13 -3.12 -0.01 0.00 0.03 0.00 0.00 46.19 42.96 1a88 s LEU 137 CO 0.58 0.18 1.20 -2.16 0.23 0.00 0.00 176.35 176.38 1a88 s PRO 138 N -1.51 2.72 0.42 1.29 0.04 -1.26 -0.49 135.00 136.20 1a88 s PRO 138 Ca 0.34 1.76 0.10 0.00 0.04 0.00 0.00 61.00 63.24 1a88 s PRO 138 Cb -0.18 -1.90 0.92 0.00 0.04 0.00 0.00 34.50 33.38 1a88 s PRO 138 CO 0.19 -1.39 2.02 1.25 0.04 0.00 0.00 177.00 179.11 1a88 h LEU 139 N 0.46 0.44 -1.85 -3.56 7.12 -1.97 -2.04 115.31 113.91 1a88 h LEU 139 Ca -0.49 -0.00 0.07 0.00 0.13 0.00 0.00 57.88 57.58 1a88 h LEU 139 Cb 1.29 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 41.31 1a88 h LEU 139 CO 0.53 0.30 0.24 1.05 -0.13 0.00 0.00 178.44 180.43 1a88 h GLU 140 N 0.51 0.18 -0.76 1.25 9.09 -1.98 0.14 114.58 123.01 1a88 h GLU 140 Ca 0.21 -0.01 0.04 0.00 0.05 0.00 0.00 59.36 59.65 1a88 h GLU 140 Cb 0.21 -0.04 -0.05 0.00 -1.65 0.00 0.00 28.75 27.22 1a88 h GLU 140 CO -0.06 0.12 0.47 0.28 0.05 0.00 0.00 179.01 179.87 1a88 h VAL 141 N 0.18 1.09 0.01 -1.06 2.07 -1.73 -1.48 116.25 115.33 1a88 h VAL 141 Ca 0.16 -0.31 -0.20 0.00 0.82 0.00 0.00 66.70 67.16 1a88 h VAL 141 Cb 0.40 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1a88 h VAL 141 CO -0.03 0.17 -0.95 -0.26 0.02 0.00 0.00 177.57 176.52 1a88 h PHE 142 N 0.91 0.06 -0.50 1.57 0.04 -0.94 -3.04 116.94 115.05 1a88 h PHE 142 Ca 0.31 -0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.95 1a88 h PHE 142 Cb 0.04 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 1a88 h PHE 142 CO -0.04 0.96 -0.04 -0.44 -0.60 0.00 0.00 178.31 178.16 1a88 h ASP 143 N 0.01 0.83 -0.39 2.17 3.32 -0.76 -1.77 116.42 119.84 1a88 h ASP 143 Ca -0.02 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 1a88 h ASP 143 Cb 1.66 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.97 1a88 h ASP 143 CO 0.13 0.92 0.20 -0.33 -1.72 0.00 0.00 179.24 178.44 1a88 h GLU 144 N 0.79 0.55 -0.10 3.56 5.08 -1.21 -0.81 114.58 122.43 1a88 h GLU 144 Ca 0.14 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1a88 h GLU 144 Cb 0.52 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1a88 h GLU 144 CO 0.03 0.47 -0.05 0.74 -1.00 0.00 0.00 179.01 179.19 1a88 h PHE 145 N 0.49 -0.13 -0.39 4.33 0.04 -1.41 -0.20 116.94 119.67 1a88 h PHE 145 Ca 0.14 0.01 0.08 0.00 2.80 0.00 0.00 57.97 61.00 1a88 h PHE 145 Cb 0.09 0.07 -0.08 0.00 2.20 0.00 0.00 35.95 38.23 1a88 h PHE 145 CO -0.02 -0.09 -0.13 0.00 -0.60 0.00 0.00 178.31 177.47 1a88 h ARG 146 N -0.05 -0.04 -0.45 1.51 3.08 -1.24 0.42 114.38 117.61 1a88 h ARG 146 Ca 0.06 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.98 1a88 h ARG 146 Cb 0.14 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1a88 h ARG 146 CO -0.14 -0.03 -0.24 0.00 -1.07 0.00 0.00 179.97 178.50 1a88 h ALA 147 N 1.31 0.73 -0.65 0.04 0.00 -0.92 -1.41 119.26 118.35 1a88 h ALA 147 Ca 0.19 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1a88 h ALA 147 Cb 0.34 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1a88 h ALA 147 CO -0.43 0.67 0.09 0.00 0.00 0.00 0.00 179.25 179.58 1a88 h ALA 148 N 0.92 0.93 -0.00 0.00 0.00 -0.85 -0.97 119.26 119.28 1a88 h ALA 148 Ca 0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1a88 h ALA 148 Cb 0.80 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1a88 h ALA 148 CO 0.07 0.66 0.00 1.25 0.00 0.00 0.00 179.25 181.23 1a88 h LEU 149 N 1.01 0.00 -0.99 0.00 6.46 -0.79 -2.08 115.31 118.92 1a88 h LEU 149 Ca 0.20 -0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 57.79 1a88 h LEU 149 Cb 0.45 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 1a88 h LEU 149 CO 0.01 0.12 0.12 0.00 -0.62 0.00 0.00 178.44 178.07 1a88 h ALA 150 N 0.88 1.18 -0.11 1.25 0.00 -1.18 -2.62 119.26 118.66 1a88 h ALA 150 Ca 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1a88 h ALA 150 Cb 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1a88 h ALA 150 CO -0.00 0.56 -0.36 0.00 0.00 0.00 0.00 179.25 179.44 1a88 h ALA 151 N 1.31 0.19 -1.10 0.00 0.00 -0.98 -3.42 119.26 115.26 1a88 h ALA 151 Ca 0.18 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 1a88 h ALA 151 Cb 0.32 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.90 1a88 h ALA 151 CO 0.00 0.27 -0.51 1.21 0.00 0.00 0.00 179.25 180.22 1a88 s ASN 152 N -6.48 -1.24 0.19 0.00 3.84 -0.80 -5.03 114.94 105.42 1a88 s ASN 152 Ca -0.13 -1.56 -0.13 0.00 0.21 0.00 0.00 52.86 51.24 1a88 s ASN 152 Cb 0.05 1.76 0.10 0.00 -0.55 0.00 0.00 41.25 42.60 1a88 s ASN 152 CO 0.80 -0.09 1.85 -0.09 -2.79 0.00 0.00 177.10 176.77 1a88 h ARG 153 N 5.60 0.81 -0.75 0.43 2.43 -1.61 -1.50 114.38 119.78 1a88 h ARG 153 Ca 0.07 -0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.30 1a88 h ARG 153 Cb 1.12 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 30.43 1a88 h ARG 153 CO 0.06 0.55 0.49 0.00 -1.51 0.00 0.00 179.97 179.56 1a88 h ALA 154 N 1.22 1.95 0.14 2.80 0.00 -1.93 -0.56 119.26 122.88 1a88 h ALA 154 Ca 0.22 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.82 1a88 h ALA 154 Cb -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1a88 h ALA 154 CO -0.05 -0.13 -1.52 0.37 0.00 0.00 0.00 179.25 177.92 1a88 h GLN 155 N 0.54 0.29 -0.29 0.00 5.75 -1.88 -3.28 115.11 116.25 1a88 h GLN 155 Ca 0.36 -0.50 -0.01 0.00 -0.15 0.00 0.00 58.65 58.34 1a88 h GLN 155 Cb 0.64 0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.36 1a88 h GLN 155 CO -0.13 1.18 0.13 0.35 -2.65 0.00 0.00 178.83 177.71 1a88 h PHE 156 N 0.08 0.38 -0.01 3.99 3.57 -0.96 -0.45 116.94 123.55 1a88 h PHE 156 Ca -0.24 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1a88 h PHE 156 Cb 2.03 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.65 1a88 h PHE 156 CO 0.07 0.30 -0.02 0.66 -2.23 0.00 0.00 178.31 177.09 1a88 n TYR 157 N -4.43 0.00 -0.03 0.41 4.02 -0.24 -1.71 117.16 115.17 1a88 n TYR 157 Ca 0.01 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.69 1a88 n TYR 157 Cb 0.12 -0.03 -0.13 0.00 -0.02 0.00 0.00 39.34 39.27 1a88 n TYR 157 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1a88 h ILE 158 N 0.94 0.74 -0.52 -0.72 2.04 -1.19 -3.39 117.51 115.41 1a88 h ILE 158 Ca 0.00 -2.30 0.02 0.00 1.00 0.00 0.00 64.86 63.58 1a88 h ILE 158 Cb 0.24 2.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 1a88 h ILE 158 CO 0.00 0.71 0.32 0.44 0.00 0.00 0.00 178.15 179.62 1a88 h ASP 159 N -0.27 0.53 0.26 1.72 3.32 -0.72 -2.00 116.42 119.25 1a88 h ASP 159 Ca -0.39 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 1a88 h ASP 159 Cb 1.80 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 41.24 1a88 h ASP 159 CO -0.00 0.37 -0.12 0.58 -1.72 0.00 0.00 179.24 178.35 1a88 h VAL 160 N 0.64 0.78 0.00 -1.35 2.07 -1.56 -2.35 116.25 114.48 1a88 h VAL 160 Ca 0.20 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 1a88 h VAL 160 Cb -0.01 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1a88 h VAL 160 CO -0.08 0.05 -0.28 1.55 0.02 0.00 0.00 177.57 178.84 1a88 h PRO 161 N -0.46 0.00 0.00 1.57 0.13 -1.78 -2.01 132.00 129.44 1a88 h PRO 161 Ca -0.04 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.03 1a88 h PRO 161 Cb 0.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 1a88 h PRO 161 CO 0.06 0.28 -0.33 0.77 -0.23 0.00 0.00 178.00 178.55 1a88 h SER 162 N 0.00 0.00 0.00 1.44 0.02 -1.33 -3.40 113.55 110.29 1a88 h SER 162 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1a88 h SER 162 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1a88 h SER 162 CO 0.04 0.33 0.00 0.61 -1.14 0.00 0.00 176.83 176.67 1a88 n GLY 163 N 0.52 0.31 0.10 -3.77 0.00 -0.89 -4.19 105.19 97.27 1a88 n GLY 163 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1a88 n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a88 h PRO 164 N 0.00 0.16 -0.46 1.61 0.13 -1.74 -3.12 132.00 128.58 1a88 h PRO 164 Ca 0.00 -0.21 0.07 0.00 -0.87 0.00 0.00 66.00 64.98 1a88 h PRO 164 Cb 0.00 0.07 -0.06 0.00 0.13 0.00 0.00 31.00 31.15 1a88 h PRO 164 CO 0.00 1.02 0.13 0.35 -0.23 0.00 0.00 178.00 179.27 1a88 h PHE 165 N 0.07 0.23 -0.36 1.56 3.04 -1.63 -2.87 116.94 116.98 1a88 h PHE 165 Ca -0.06 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1a88 h PHE 165 Cb 1.67 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 40.15 1a88 h PHE 165 CO 0.03 0.06 0.00 0.66 -2.02 0.00 0.00 178.31 177.04 1a88 n TYR 166 N -5.05 0.48 -1.49 0.41 4.01 -1.26 -0.59 117.16 113.68 1a88 n TYR 166 Ca 0.04 -0.48 -0.14 0.00 -0.16 0.00 0.00 57.90 57.16 1a88 n TYR 166 Cb 0.19 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.14 1a88 n TYR 166 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a88 n GLY 167 N 0.61 1.36 0.00 2.72 0.00 -1.08 -4.80 105.19 103.99 1a88 n GLY 167 Ca 0.12 -0.34 0.10 0.00 0.00 0.00 0.00 46.02 45.91 1a88 n GLY 167 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1a88 n PHE 168 N -2.69 0.00 1.65 1.61 3.72 -1.18 -1.68 117.46 118.88 1a88 n PHE 168 Ca -0.15 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.38 1a88 n PHE 168 Cb 0.49 -0.30 0.60 0.00 -0.94 0.00 0.00 39.48 39.33 1a88 n PHE 168 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1a88 n ASN 169 N -1.30 0.89 -4.82 4.37 0.23 -1.21 -4.88 115.26 108.54 1a88 n ASN 169 Ca 0.09 -1.41 -0.37 0.00 -0.53 0.00 0.00 54.58 52.36 1a88 n ASN 169 Cb 0.17 -0.02 -0.06 0.00 -2.08 0.00 0.00 39.78 37.79 1a88 n ASN 169 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1a88 s ARG 170 N -1.95 4.09 0.27 -3.83 1.81 -0.68 -5.04 118.95 113.63 1a88 s ARG 170 Ca 0.37 0.62 -0.30 0.00 -1.72 0.00 0.00 55.73 54.70 1a88 s ARG 170 Cb 0.19 -3.13 -0.11 0.00 -0.45 0.00 0.00 34.95 31.45 1a88 s ARG 170 CO 0.31 0.59 1.55 -2.00 -0.68 0.00 0.00 175.30 175.07 1a88 s GLU 171 N -1.39 4.17 0.00 3.54 2.12 -1.26 -2.21 118.70 123.67 1a88 s GLU 171 Ca 0.31 2.48 0.00 0.00 0.36 0.00 0.00 54.97 58.13 1a88 s GLU 171 Cb -0.18 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.16 1a88 s GLU 171 CO 0.18 -0.57 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 1a88 n GLY 172 N 2.33 0.91 3.79 -1.50 0.00 -1.26 -5.02 105.19 104.44 1a88 n GLY 172 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1a88 n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a88 s ALA 173 N -3.62 2.65 -0.32 4.61 0.00 -0.94 -4.98 121.76 119.15 1a88 s ALA 173 Ca 0.00 0.48 -0.26 0.00 0.00 0.00 0.00 51.96 52.19 1a88 s ALA 173 Cb 0.00 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.86 1a88 s ALA 173 CO 0.00 -0.96 0.90 0.99 0.00 0.00 0.00 175.76 176.69 1a88 s THR 174 N -2.35 4.68 -0.13 0.00 2.01 -1.26 -5.03 115.64 113.56 1a88 s THR 174 Ca 0.65 1.37 -0.15 0.00 0.31 0.00 0.00 61.69 63.88 1a88 s THR 174 Cb -0.18 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.03 1a88 s THR 174 CO 0.37 -0.35 0.35 -0.69 -0.69 0.00 0.00 174.62 173.61 1a88 s VAL 175 N 3.23 5.25 -0.23 3.82 1.01 -1.26 -4.95 120.40 127.27 1a88 s VAL 175 Ca 0.37 0.67 -0.01 0.00 0.00 0.00 0.00 61.98 63.02 1a88 s VAL 175 Cb -0.13 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.59 1a88 s VAL 175 CO 0.14 0.41 -0.09 -0.55 0.00 0.00 0.00 175.10 175.01 1a88 s SER 176 N 0.23 4.09 0.42 3.32 0.15 -1.26 -4.97 113.70 115.68 1a88 s SER 176 Ca 0.20 -0.83 0.09 0.00 0.70 0.00 0.00 55.95 56.11 1a88 s SER 176 Cb -0.14 -1.62 0.90 0.00 -1.71 0.00 0.00 66.02 63.45 1a88 s SER 176 CO 0.07 -0.10 2.02 -0.61 1.20 0.00 0.00 173.24 175.82 1a88 h GLN 177 N 7.98 0.35 -0.76 5.44 5.75 -2.00 -2.37 115.11 129.50 1a88 h GLN 177 Ca -0.35 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.19 1a88 h GLN 177 Cb 1.11 -0.07 -0.06 0.00 1.07 0.00 0.00 27.48 29.53 1a88 h GLN 177 CO 0.58 0.31 0.43 0.78 -2.65 0.00 0.00 178.83 178.28 1a88 h GLY 178 N 0.52 1.14 0.99 2.39 0.00 -1.99 -0.66 103.07 105.45 1a88 h GLY 178 Ca 0.09 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 1a88 h GLY 178 CO -0.01 0.16 -0.02 1.41 0.00 0.00 0.00 176.54 178.08 1a88 h LEU 179 N 0.76 0.80 0.07 3.11 3.38 -1.85 0.10 115.31 121.68 1a88 h LEU 179 Ca 0.35 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1a88 h LEU 179 Cb 0.25 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1a88 h LEU 179 CO -0.21 0.92 -0.17 0.40 0.09 0.00 0.00 178.44 179.47 1a88 h ILE 180 N 0.65 0.59 -0.53 1.22 2.04 -1.33 -2.09 117.51 118.06 1a88 h ILE 180 Ca 0.13 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.90 1a88 h ILE 180 Cb 0.53 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1a88 h ILE 180 CO 0.03 0.00 -0.01 0.44 0.00 0.00 0.00 178.15 178.60 1a88 h ASP 181 N -0.32 0.88 -0.25 1.72 3.32 -1.00 -1.83 116.42 118.94 1a88 h ASP 181 Ca 0.03 -0.24 -0.10 0.00 0.02 0.00 0.00 57.03 56.75 1a88 h ASP 181 Cb 0.36 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1a88 h ASP 181 CO -0.11 0.95 -0.17 -0.74 -1.72 0.00 0.00 179.24 177.45 1a88 h HIS 182 N 0.84 0.77 -0.18 4.55 2.76 -0.94 -1.20 115.15 121.74 1a88 h HIS 182 Ca 0.15 -0.15 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1a88 h HIS 182 Cb 0.52 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.28 1a88 h HIS 182 CO 0.03 0.82 0.10 2.35 -1.30 0.00 0.00 177.93 179.93 1a88 h TRP 183 N 0.62 0.24 -0.53 5.26 7.01 -0.98 -1.82 115.95 125.75 1a88 h TRP 183 Ca 0.10 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.14 1a88 h TRP 183 Cb 0.64 -0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.57 1a88 h TRP 183 CO 0.03 0.22 0.27 2.35 -2.79 0.00 0.00 178.44 178.51 1a88 h TRP 184 N 0.20 0.49 -0.27 2.65 7.01 -1.15 -0.60 115.95 124.27 1a88 h TRP 184 Ca 0.06 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.05 1a88 h TRP 184 Cb 0.05 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 26.96 1a88 h TRP 184 CO -0.04 0.23 0.02 1.25 -2.79 0.00 0.00 178.44 177.11 1a88 h LEU 185 N 0.51 0.45 -0.76 0.65 5.85 -0.99 -0.37 115.31 120.65 1a88 h LEU 185 Ca 0.24 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1a88 h LEU 185 Cb 0.15 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1a88 h LEU 185 CO -0.17 0.62 0.37 1.56 -0.34 0.00 0.00 178.44 180.48 1a88 h GLN 186 N 0.26 1.09 -0.30 1.25 4.20 -1.12 -1.09 115.11 119.41 1a88 h GLN 186 Ca 0.08 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1a88 h GLN 186 Cb 0.37 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1a88 h GLN 186 CO 0.01 0.85 0.15 0.78 -0.67 0.00 0.00 178.83 179.95 1a88 h GLY 187 N 1.07 0.46 2.00 3.46 0.00 -0.92 -3.01 103.07 106.14 1a88 h GLY 187 Ca 0.26 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 1a88 h GLY 187 CO -0.03 0.22 -0.23 -0.33 0.00 0.00 0.00 176.54 176.16 1a88 h MET 188 N 0.36 0.00 -0.40 4.80 2.86 -0.61 -2.17 114.93 119.76 1a88 h MET 188 Ca 0.10 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 1a88 h MET 188 Cb 0.11 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1a88 h MET 188 CO -0.01 0.23 -0.04 0.52 1.06 0.00 0.00 176.91 178.66 1a88 h MET 189 N 0.00 0.67 -7.61 1.72 2.86 -1.07 -3.45 114.93 108.04 1a88 h MET 189 Ca -0.00 -0.18 -0.44 0.00 -2.06 0.00 0.00 59.70 57.01 1a88 h MET 189 Cb 0.72 -0.08 0.16 0.00 0.06 0.00 0.00 31.60 32.46 1a88 h MET 189 CO 0.03 0.72 0.32 0.20 1.06 0.00 0.00 176.91 179.24 1a88 s GLY 190 N -3.80 1.66 0.11 8.32 0.00 -0.82 -4.52 107.32 108.26 1a88 s GLY 190 Ca -0.09 -0.92 -0.24 0.00 0.00 0.00 0.00 44.72 43.48 1a88 s GLY 190 CO 0.80 -0.20 0.72 0.00 0.00 0.00 0.00 173.10 174.42 1a88 s ALA 191 N -3.48 3.46 0.31 3.20 0.00 -0.09 -4.96 121.76 120.19 1a88 s ALA 191 Ca 0.70 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.94 1a88 s ALA 191 Cb -0.09 -2.89 0.50 0.00 0.00 0.00 0.00 23.12 20.65 1a88 s ALA 191 CO 0.54 0.25 1.80 0.00 0.00 0.00 0.00 175.76 178.35 1a88 h ALA 192 N 4.80 1.24 -0.21 0.00 0.00 -1.93 -1.26 119.26 121.89 1a88 h ALA 192 Ca -0.47 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.07 1a88 h ALA 192 Cb 1.21 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1a88 h ALA 192 CO 0.67 0.50 -0.31 -2.95 0.00 0.00 0.00 179.25 177.16 1a88 h ASN 193 N 0.49 0.64 -0.34 0.00 -1.07 -1.95 -0.58 115.58 112.76 1a88 h ASN 193 Ca 0.09 -0.51 0.04 0.00 0.07 0.00 0.00 56.30 55.99 1a88 h ASN 193 Cb 0.47 -0.18 -0.04 0.00 -2.07 0.00 0.00 38.32 36.51 1a88 h ASN 193 CO 0.03 1.03 0.11 0.00 0.07 0.00 0.00 177.43 178.67 1a88 h ALA 194 N 0.63 0.38 -0.79 4.14 0.00 -1.81 -0.78 119.26 121.03 1a88 h ALA 194 Ca 0.02 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1a88 h ALA 194 Cb 0.89 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1a88 h ALA 194 CO 0.07 -0.29 0.33 0.45 0.00 0.00 0.00 179.25 179.81 1a88 h HIS 195 N 0.25 1.19 0.14 0.00 3.86 -1.08 -0.09 115.15 119.42 1a88 h HIS 195 Ca 0.15 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1a88 h HIS 195 Cb 0.13 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.25 1a88 h HIS 195 CO -0.15 0.89 -0.07 -0.92 0.86 0.00 0.00 177.93 178.55 1a88 h TYR 196 N 1.14 -0.18 -0.15 2.45 5.03 -0.67 -3.25 116.97 121.35 1a88 h TYR 196 Ca 0.26 -0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.50 1a88 h TYR 196 Cb 0.20 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.53 1a88 h TYR 196 CO 0.02 -0.05 -0.22 0.93 -1.32 0.00 0.00 178.16 177.52 1a88 h GLU 197 N -0.27 0.26 0.00 1.82 5.08 -1.00 -2.55 114.58 117.93 1a88 h GLU 197 Ca -0.02 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1a88 h GLU 197 Cb 0.21 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1a88 h GLU 197 CO 0.03 0.47 -0.06 0.00 -1.00 0.00 0.00 179.01 178.46 1a88 h ILE 199 N 0.00 1.16 -0.39 0.00 2.04 -1.49 0.49 117.51 119.33 1a88 h ILE 199 Ca -0.00 -0.39 -0.09 0.00 1.00 0.00 0.00 64.86 65.38 1a88 h ILE 199 Cb 0.11 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1a88 h ILE 199 CO 0.01 0.17 -0.12 0.00 0.00 0.00 0.00 178.15 178.21 1a88 h ALA 200 N 1.14 1.06 -0.55 1.87 0.00 -1.58 -2.02 119.26 119.18 1a88 h ALA 200 Ca 0.19 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1a88 h ALA 200 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1a88 h ALA 200 CO -0.03 0.57 0.19 0.00 0.00 0.00 0.00 179.25 179.98 1a88 h ALA 201 N 1.24 0.71 0.00 0.00 0.00 -1.24 -0.79 119.26 119.18 1a88 h ALA 201 Ca 0.11 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1a88 h ALA 201 Cb 0.57 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1a88 h ALA 201 CO 0.04 0.35 -0.90 0.27 0.00 0.00 0.00 179.25 179.01 1a88 h PHE 202 N 0.75 0.00 0.00 0.00 -5.15 -0.82 -3.22 116.94 108.50 1a88 h PHE 202 Ca 0.18 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.87 1a88 h PHE 202 Cb 0.25 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.40 1a88 h PHE 202 CO 0.01 0.90 -1.84 -1.13 -2.00 0.00 0.00 178.31 174.26 1a88 n SER 203 N -3.38 0.23 -0.00 -0.68 3.41 -0.77 -4.51 113.62 107.92 1a88 n SER 203 Ca 0.00 0.10 0.06 0.00 -0.26 0.00 0.00 58.87 58.77 1a88 n SER 203 Cb 0.88 1.37 -0.08 0.00 -0.26 0.00 0.00 64.21 66.12 1a88 n SER 203 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1a88 n GLU 204 N -2.48 1.99 -2.29 4.33 1.02 -0.31 -1.02 120.64 121.88 1a88 n GLU 204 Ca -0.09 -0.04 -0.41 0.00 -0.02 0.00 0.00 57.16 56.60 1a88 n GLU 204 Cb 0.70 -1.18 -0.03 0.00 -0.02 0.00 0.00 31.44 30.91 1a88 n GLU 204 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1a88 s THR 205 N -2.45 3.37 -0.28 2.62 2.01 -1.22 -4.95 115.64 114.75 1a88 s THR 205 Ca 0.02 1.15 -0.15 0.00 0.31 0.00 0.00 61.69 63.01 1a88 s THR 205 Cb 0.09 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 1a88 s THR 205 CO 0.54 0.18 0.39 -0.62 -0.69 0.00 0.00 174.62 174.42 1a88 s ASP 206 N 0.21 6.26 0.00 3.53 -1.08 -1.26 -4.54 116.67 119.79 1a88 s ASP 206 Ca 0.55 0.25 0.22 0.00 -0.52 0.00 0.00 52.55 53.05 1a88 s ASP 206 Cb -0.35 -2.22 0.52 0.00 -1.46 0.00 0.00 42.92 39.41 1a88 s ASP 206 CO 0.38 -0.22 1.45 0.49 0.52 0.00 0.00 175.17 177.80 1a88 n PHE 207 N 5.37 0.63 -0.22 -5.34 3.72 0.15 -4.62 117.46 117.15 1a88 n PHE 207 Ca -0.08 -0.32 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 1a88 n PHE 207 Cb 0.50 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.12 1a88 n PHE 207 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1a88 h THR 208 N 4.20 0.36 -0.54 4.37 2.02 -1.93 -1.36 112.91 120.03 1a88 h THR 208 Ca 0.00 -0.01 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1a88 h THR 208 Cb 0.94 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1a88 h THR 208 CO 0.00 0.00 0.07 0.44 0.37 0.00 0.00 175.52 176.40 1a88 h ASP 209 N 0.02 0.83 -0.15 4.18 3.32 -1.96 -2.49 116.42 120.16 1a88 h ASP 209 Ca 0.32 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1a88 h ASP 209 Cb 0.50 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1a88 h ASP 209 CO -0.66 0.85 0.08 0.44 -1.72 0.00 0.00 179.24 178.23 1a88 h ASP 210 N 0.82 0.20 -0.70 6.45 3.32 -1.66 -2.80 116.42 122.05 1a88 h ASP 210 Ca 0.17 -0.12 0.08 0.00 0.02 0.00 0.00 57.03 57.18 1a88 h ASP 210 Cb 0.40 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 1a88 h ASP 210 CO 0.01 0.26 0.46 -0.07 -1.72 0.00 0.00 179.24 178.18 1a88 h LEU 211 N 0.12 0.58 -1.17 1.55 3.38 -1.02 -0.93 115.31 117.81 1a88 h LEU 211 Ca 0.05 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1a88 h LEU 211 Cb 0.11 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1a88 h LEU 211 CO -0.01 0.36 -0.08 0.11 0.09 0.00 0.00 178.44 178.91 1a88 h LYS 212 N 0.65 0.00 0.00 1.13 1.57 -1.28 -3.11 116.57 115.53 1a88 h LYS 212 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1a88 h LYS 212 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1a88 h LYS 212 CO -0.11 0.08 -0.44 0.54 -0.57 0.00 0.00 179.45 178.95 1a88 n ARG 213 N -3.19 0.24 -2.65 3.15 1.74 -0.38 -4.90 116.66 110.67 1a88 n ARG 213 Ca 0.01 0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.77 1a88 n ARG 213 Cb 0.38 -1.69 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 1a88 n ARG 213 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1a88 s ILE 214 N -3.13 4.71 -0.12 0.55 1.01 -1.06 -4.87 121.20 118.29 1a88 s ILE 214 Ca 0.08 1.96 0.12 0.00 0.00 0.00 0.00 60.65 62.81 1a88 s ILE 214 Cb 0.14 -4.26 -0.17 0.00 0.01 0.00 0.00 42.46 38.18 1a88 s ILE 214 CO 0.68 0.09 0.31 -0.90 0.00 0.00 0.00 174.94 175.11 1a88 n ASP 215 N 4.40 1.94 -4.70 3.58 5.68 -1.26 -4.31 116.55 121.88 1a88 n ASP 215 Ca 0.08 -0.15 -0.29 0.00 -0.50 0.00 0.00 54.79 53.92 1a88 n ASP 215 Cb 0.49 1.44 0.15 0.00 -1.14 0.00 0.00 41.12 42.06 1a88 n ASP 215 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1a88 s VAL 216 N -2.68 2.49 0.32 2.12 -7.23 -1.26 -4.66 120.40 109.50 1a88 s VAL 216 Ca -0.03 0.16 -0.29 0.00 -1.81 0.00 0.00 61.98 60.01 1a88 s VAL 216 Cb 0.08 -2.64 -0.10 0.00 0.56 0.00 0.00 36.38 34.27 1a88 s VAL 216 CO 0.49 -0.21 1.40 -2.84 -0.31 0.00 0.00 175.10 173.63 1a88 s PRO 217 N -4.94 4.27 -0.07 4.82 0.02 -1.26 -4.60 135.00 133.25 1a88 s PRO 217 Ca 0.64 2.34 0.00 0.00 0.02 0.00 0.00 61.00 64.00 1a88 s PRO 217 Cb -0.18 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.31 1a88 s PRO 217 CO 0.57 -0.35 -0.05 0.08 -0.33 0.00 0.00 177.00 176.93 1a88 s VAL 218 N -0.79 0.64 -0.21 3.83 1.01 -0.53 -1.75 120.40 122.62 1a88 s VAL 218 Ca 0.53 -0.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.24 1a88 s VAL 218 Cb -0.42 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1a88 s VAL 218 CO 0.53 0.28 0.38 -0.22 0.00 0.00 0.00 175.10 176.06 1a88 s LEU 219 N 1.34 4.14 -0.32 3.92 2.96 -0.61 -0.43 118.68 129.69 1a88 s LEU 219 Ca -0.04 0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 54.31 1a88 s LEU 219 Cb -0.14 -2.48 0.04 0.00 0.50 0.00 0.00 46.19 44.11 1a88 s LEU 219 CO -0.03 -0.07 0.05 -0.69 -1.32 0.00 0.00 176.35 174.29 1a88 s VAL 220 N 1.34 3.41 0.04 1.68 1.01 0.10 -1.21 120.40 126.78 1a88 s VAL 220 Ca 0.18 -1.24 0.06 0.00 0.00 0.00 0.00 61.98 60.99 1a88 s VAL 220 Cb -0.15 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 1a88 s VAL 220 CO 0.08 -0.14 -0.16 0.00 0.00 0.00 0.00 175.10 174.88 1a88 s ALA 221 N 1.33 2.69 -0.25 5.51 0.00 0.06 -0.47 121.76 130.64 1a88 s ALA 221 Ca -0.03 -1.17 -0.26 0.00 0.00 0.00 0.00 51.96 50.50 1a88 s ALA 221 Cb -0.20 -0.82 0.11 0.00 0.00 0.00 0.00 23.12 22.21 1a88 s ALA 221 CO 0.01 0.58 0.92 -1.58 0.00 0.00 0.00 175.76 175.70 1a88 s HIS 222 N -0.96 -0.56 0.15 0.00 2.46 -0.77 -0.83 115.29 114.78 1a88 s HIS 222 Ca 0.15 1.31 -0.19 0.00 0.47 0.00 0.00 55.06 56.80 1a88 s HIS 222 Cb -0.11 0.35 -0.07 0.00 -0.13 0.00 0.00 32.58 32.62 1a88 s HIS 222 CO 0.06 -0.31 0.64 0.20 -2.47 0.00 0.00 174.74 172.87 1a88 s GLY 223 N 0.04 2.65 0.00 1.59 0.00 -1.26 -1.24 107.32 109.11 1a88 s GLY 223 Ca 0.01 0.09 0.27 0.00 0.00 0.00 0.00 44.72 45.09 1a88 s GLY 223 CO -0.02 0.48 1.88 -1.30 0.00 0.00 0.00 173.10 174.14 1a88 n THR 224 N 1.23 0.11 -1.65 0.90 -2.24 -0.47 -3.10 114.28 109.06 1a88 n THR 224 Ca -0.06 0.03 -0.27 0.00 -2.27 0.00 0.00 64.05 61.47 1a88 n THR 224 Cb 0.51 -0.56 0.07 0.00 -2.10 0.00 0.00 70.33 68.25 1a88 n THR 224 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1a88 n ASP 225 N -1.49 5.92 -4.62 3.42 2.03 -0.86 -4.79 116.55 116.15 1a88 n ASP 225 Ca 0.07 -3.77 -0.43 0.00 0.52 0.00 0.00 54.79 51.18 1a88 n ASP 225 Cb 0.32 -0.66 -0.02 0.00 -0.72 0.00 0.00 41.12 40.03 1a88 n ASP 225 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1a88 s ASP 226 N -2.68 6.28 0.00 1.67 -1.08 -1.18 -4.48 116.67 115.21 1a88 s ASP 226 Ca 0.57 1.38 0.25 0.00 -0.52 0.00 0.00 52.55 54.23 1a88 s ASP 226 Cb 0.46 -2.53 0.72 0.00 -1.46 0.00 0.00 42.92 40.10 1a88 s ASP 226 CO 0.02 -1.38 1.55 0.00 0.52 0.00 0.00 175.17 175.88 1a88 n GLN 227 N 7.88 1.92 -0.08 4.34 6.02 -1.26 -4.20 117.38 132.00 1a88 n GLN 227 Ca 0.19 -1.36 -0.17 0.00 -0.01 0.00 0.00 57.00 55.66 1a88 n GLN 227 Cb 0.46 -1.46 -0.06 0.00 1.02 0.00 0.00 30.24 30.21 1a88 n GLN 227 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1a88 n VAL 228 N 0.61 0.85 -3.92 5.09 0.31 -1.26 -4.87 118.33 115.14 1a88 n VAL 228 Ca 0.17 -0.22 -0.33 0.00 -0.01 0.00 0.00 64.34 63.95 1a88 n VAL 228 Cb 0.43 -1.70 -0.14 0.00 -0.91 0.00 0.00 33.84 31.53 1a88 n VAL 228 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1a88 s VAL 229 N -2.28 2.70 0.13 2.52 1.01 -1.26 -5.08 120.40 118.13 1a88 s VAL 229 Ca -0.22 -2.33 -0.34 0.00 0.00 0.00 0.00 61.98 59.10 1a88 s VAL 229 Cb 0.08 -2.92 -0.13 0.00 0.00 0.00 0.00 36.38 33.41 1a88 s VAL 229 CO 0.27 -0.65 1.63 -2.65 0.00 0.00 0.00 175.10 173.69 1a88 n PRO 230 N 4.27 2.18 -0.03 2.72 -0.02 -1.26 -4.74 135.00 138.12 1a88 n PRO 230 Ca 0.02 0.79 -0.08 0.00 -2.02 0.00 0.00 63.50 62.21 1a88 n PRO 230 Cb 0.41 -2.57 -0.02 0.00 -0.02 0.00 0.00 33.50 31.30 1a88 n PRO 230 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1a88 h TYR 231 N 6.43 -0.25 0.00 6.00 3.20 -1.83 -3.08 116.97 127.45 1a88 h TYR 231 Ca -0.45 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.37 1a88 h TYR 231 Cb 1.25 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 1a88 h TYR 231 CO 0.66 -0.16 -0.33 0.00 -1.64 0.00 0.00 178.16 176.69 1a88 h ALA 232 N 1.08 1.41 -0.01 1.82 0.00 -1.94 -2.49 119.26 119.13 1a88 h ALA 232 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1a88 h ALA 232 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1a88 h ALA 232 CO -0.25 0.42 -0.02 -3.47 0.00 0.00 0.00 179.25 175.92 1a88 n ASP 233 N -4.09 1.13 0.00 0.00 2.03 -1.20 -4.55 116.55 109.88 1a88 n ASP 233 Ca -0.02 -1.33 0.00 0.00 0.52 0.00 0.00 54.79 53.96 1a88 n ASP 233 Cb 0.38 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 1a88 n ASP 233 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a88 n ALA 234 N -0.15 2.02 0.29 -1.67 0.00 -0.96 -4.39 120.51 115.65 1a88 n ALA 234 Ca 0.19 -0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.47 1a88 n ALA 234 Cb 0.30 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.67 1a88 n ALA 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a88 h ALA 235 N -0.12 -0.83 -0.35 0.00 0.00 -1.73 0.35 119.26 116.57 1a88 h ALA 235 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1a88 h ALA 235 Cb 0.00 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1a88 h ALA 235 CO 0.00 -0.99 0.09 -1.00 0.00 0.00 0.00 179.25 177.35 1a88 h PRO 236 N -0.81 0.51 -0.34 0.00 0.13 -1.82 -1.52 132.00 128.16 1a88 h PRO 236 Ca -0.05 -0.08 -0.16 0.00 -0.87 0.00 0.00 66.00 64.83 1a88 h PRO 236 Cb 0.68 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 1a88 h PRO 236 CO 0.03 0.47 -0.43 0.87 -0.23 0.00 0.00 178.00 178.71 1a88 h LYS 237 N 0.51 0.86 -0.15 0.86 1.57 -1.60 -2.34 116.57 116.27 1a88 h LYS 237 Ca 0.12 -0.48 -0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1a88 h LYS 237 Cb 0.19 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1a88 h LYS 237 CO -0.00 1.12 0.09 0.77 -0.57 0.00 0.00 179.45 180.86 1a88 h SER 238 N 0.69 0.18 -0.42 0.86 0.02 -0.67 -2.78 113.55 111.44 1a88 h SER 238 Ca 0.05 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1a88 h SER 238 Cb 1.02 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 1a88 h SER 238 CO 0.10 0.18 0.25 0.00 -1.14 0.00 0.00 176.83 176.22 1a88 h ALA 239 N 1.01 1.63 0.00 3.77 0.00 -1.14 -2.20 119.26 122.34 1a88 h ALA 239 Ca 0.05 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1a88 h ALA 239 Cb 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1a88 h ALA 239 CO -0.01 0.32 -0.53 0.93 0.00 0.00 0.00 179.25 179.96 1a88 h GLU 240 N 0.59 0.00 0.00 0.00 5.08 -1.29 -3.22 114.58 115.74 1a88 h GLU 240 Ca 0.16 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1a88 h GLU 240 Cb -0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1a88 h GLU 240 CO -0.03 0.53 -0.65 -0.07 -1.00 0.00 0.00 179.01 177.79 1a88 h LEU 241 N 0.00 0.00 -9.65 1.33 3.38 -1.13 -3.46 115.31 105.78 1a88 h LEU 241 Ca -0.01 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.44 1a88 h LEU 241 Cb 0.97 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1a88 h LEU 241 CO 0.07 0.38 0.23 -0.76 0.09 0.00 0.00 178.44 178.45 1a88 s LEU 242 N -6.18 4.55 0.06 1.67 1.43 -0.92 -4.30 118.68 114.98 1a88 s LEU 242 Ca 0.03 1.66 -0.26 0.00 -1.03 0.00 0.00 54.13 54.54 1a88 s LEU 242 Cb 0.08 -3.38 -0.17 0.00 0.03 0.00 0.00 46.19 42.75 1a88 s LEU 242 CO 0.75 0.11 1.57 0.00 0.23 0.00 0.00 176.35 179.01 1a88 h ALA 243 N 4.86 -0.24 -2.58 4.21 0.00 -1.81 -3.35 119.26 120.35 1a88 h ALA 243 Ca -0.45 -0.10 -0.63 0.00 0.00 0.00 0.00 54.91 53.72 1a88 h ALA 243 Cb 1.21 0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.69 1a88 h ALA 243 CO 0.69 -0.58 -0.45 -1.71 0.00 0.00 0.00 179.25 177.20 1a88 n ASN 244 N -5.14 3.71 -4.67 0.00 5.15 -1.26 -5.08 115.26 107.97 1a88 n ASN 244 Ca -0.09 -3.33 -0.27 0.00 -0.60 0.00 0.00 54.58 50.29 1a88 n ASN 244 Cb 0.16 -0.78 -0.08 0.00 -0.53 0.00 0.00 39.78 38.56 1a88 n ASN 244 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1a88 s ALA 245 N -2.01 3.22 -0.12 5.20 0.00 -1.26 -1.45 121.76 125.34 1a88 s ALA 245 Ca 0.32 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.99 1a88 s ALA 245 Cb 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1a88 s ALA 245 CO -0.08 0.52 -0.23 0.99 0.00 0.00 0.00 175.76 176.96 1a88 s THR 246 N -1.65 2.08 -0.24 0.00 2.01 0.43 -4.94 115.64 113.32 1a88 s THR 246 Ca 0.27 -0.99 -0.08 0.00 0.31 0.00 0.00 61.69 61.20 1a88 s THR 246 Cb -0.10 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 1a88 s THR 246 CO 0.18 0.55 0.10 -0.22 -0.69 0.00 0.00 174.62 174.55 1a88 s LEU 247 N 0.58 3.68 -0.14 4.42 2.96 -1.26 0.03 118.68 128.94 1a88 s LEU 247 Ca -0.13 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.72 1a88 s LEU 247 Cb -0.17 -1.98 0.01 0.00 0.50 0.00 0.00 46.19 44.56 1a88 s LEU 247 CO 0.03 0.02 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.34 1a88 s LYS 248 N 1.31 2.87 -0.13 1.98 1.02 0.38 -4.97 119.74 122.20 1a88 s LYS 248 Ca 0.06 -0.80 -0.03 0.00 0.02 0.00 0.00 55.97 55.22 1a88 s LYS 248 Cb -0.15 -2.37 -0.03 0.00 -0.52 0.00 0.00 37.83 34.76 1a88 s LYS 248 CO 0.05 -0.07 -0.02 -1.12 -0.92 0.00 0.00 175.35 173.27 1a88 s SER 249 N 0.97 5.02 -0.29 2.83 0.01 -1.26 -1.85 113.70 119.13 1a88 s SER 249 Ca -0.04 -0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.24 1a88 s SER 249 Cb -0.15 -1.66 0.08 0.00 0.21 0.00 0.00 66.02 64.50 1a88 s SER 249 CO -0.05 0.25 -0.04 -0.31 0.41 0.00 0.00 173.24 173.50 1a88 s TYR 250 N -0.12 3.43 0.03 2.43 1.51 -0.37 -4.96 117.35 119.30 1a88 s TYR 250 Ca 0.03 -2.58 -0.35 0.00 -1.01 0.00 0.00 57.07 53.17 1a88 s TYR 250 Cb -0.13 -2.32 -0.14 0.00 -0.11 0.00 0.00 41.96 39.27 1a88 s TYR 250 CO 0.02 -0.90 1.67 -1.91 -1.11 0.00 0.00 175.55 173.32 1a88 n GLU 251 N 4.37 1.96 -0.94 -0.62 4.07 -1.26 -1.37 120.64 126.86 1a88 n GLU 251 Ca -0.07 0.71 0.00 0.00 -0.06 0.00 0.00 57.16 57.75 1a88 n GLU 251 Cb 0.42 -2.49 0.00 0.00 -0.06 0.00 0.00 31.44 29.31 1a88 n GLU 251 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1a88 n GLY 252 N 3.72 0.32 3.90 8.31 0.00 -1.26 -4.85 105.19 115.33 1a88 n GLY 252 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1a88 n GLY 252 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a88 s LEU 253 N 0.00 3.74 0.00 0.99 1.43 -1.04 -4.51 118.68 119.29 1a88 s LEU 253 Ca 0.00 0.96 -0.01 0.00 -1.03 0.00 0.00 54.13 54.05 1a88 s LEU 253 Cb 0.00 -3.88 0.09 0.00 0.03 0.00 0.00 46.19 42.43 1a88 s LEU 253 CO 0.00 -0.48 0.59 -0.81 0.23 0.00 0.00 176.35 175.88 1a88 n PRO 254 N -1.83 0.11 -0.26 1.29 -0.04 -1.26 -2.04 135.00 130.97 1a88 n PRO 254 Ca 0.01 -1.50 -0.07 0.00 -0.04 0.00 0.00 63.50 61.90 1a88 n PRO 254 Cb 0.55 -0.42 0.06 0.00 -0.04 0.00 0.00 33.50 33.65 1a88 n PRO 254 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1a88 h HIS 255 N -0.61 1.19 -0.99 0.54 -0.00 -1.78 -2.76 115.15 110.76 1a88 h HIS 255 Ca -0.19 -0.13 -0.58 0.00 -0.00 0.00 0.00 60.37 59.46 1a88 h HIS 255 Cb 0.69 -0.34 -0.24 0.00 -0.00 0.00 0.00 27.41 27.52 1a88 h HIS 255 CO 0.00 0.96 0.74 0.41 -0.00 0.00 0.00 177.93 180.03 1a88 n GLY 256 N -0.70 5.22 0.28 5.26 0.00 0.24 -4.65 105.19 110.84 1a88 n GLY 256 Ca 0.06 -1.96 0.18 0.00 0.00 0.00 0.00 46.02 44.30 1a88 n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a88 h MET 257 N 2.06 0.00 0.00 1.61 -0.00 -1.78 -1.33 114.93 115.49 1a88 h MET 257 Ca 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 60.19 1a88 h MET 257 Cb 0.73 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.33 1a88 h MET 257 CO 1.29 0.00 -0.04 -0.07 -0.00 0.00 0.00 176.91 178.09 1a88 h LEU 258 N 0.00 0.00 0.00 -0.10 3.38 -1.88 0.28 115.31 116.99 1a88 h LEU 258 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1a88 h LEU 258 Cb 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1a88 h LEU 258 CO 0.00 0.04 -2.20 -1.20 0.09 0.00 0.00 178.44 175.17 1a88 n SER 259 N -3.18 0.02 -0.02 -0.43 7.64 -0.53 -3.90 113.62 113.22 1a88 n SER 259 Ca -0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1a88 n SER 259 Cb 0.27 1.47 -0.13 0.00 -1.01 0.00 0.00 64.21 64.81 1a88 n SER 259 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1a88 n THR 260 N -2.52 1.39 -2.70 0.44 -2.24 -1.05 -4.48 114.28 103.13 1a88 n THR 260 Ca -0.19 -0.76 -0.17 0.00 -2.27 0.00 0.00 64.05 60.65 1a88 n THR 260 Cb 0.88 -0.82 0.01 0.00 -2.10 0.00 0.00 70.33 68.30 1a88 n THR 260 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1a88 n HIS 261 N -2.92 1.95 0.00 4.78 8.25 0.07 -4.89 115.22 122.46 1a88 n HIS 261 Ca -0.17 -3.12 0.03 0.00 -0.26 0.00 0.00 57.72 54.20 1a88 n HIS 261 Cb 0.99 -0.30 0.38 0.00 1.12 0.00 0.00 29.99 32.18 1a88 n HIS 261 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1a88 h PRO 262 N 2.87 0.52 0.00 -0.41 0.13 -1.68 -1.95 132.00 131.49 1a88 h PRO 262 Ca 0.07 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.12 1a88 h PRO 262 Cb 1.02 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 1a88 h PRO 262 CO 0.63 0.42 -0.09 1.05 -0.23 0.00 0.00 178.00 179.78 1a88 h GLU 263 N 0.53 0.00 0.06 0.86 9.09 -1.92 -1.01 114.58 122.20 1a88 h GLU 263 Ca 0.13 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.42 1a88 h GLU 263 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.17 1a88 h GLU 263 CO -0.02 0.09 -0.58 0.28 0.05 0.00 0.00 179.01 178.83 1a88 h VAL 264 N 0.00 1.52 -0.05 -1.06 2.07 -1.76 -3.41 116.25 113.56 1a88 h VAL 264 Ca -0.00 -2.41 -0.24 0.00 0.82 0.00 0.00 66.70 64.87 1a88 h VAL 264 Cb 0.20 3.13 0.01 0.00 -1.52 0.00 0.00 31.29 33.12 1a88 h VAL 264 CO 0.01 0.63 -0.92 -0.07 0.02 0.00 0.00 177.57 177.24 1a88 h LEU 265 N -0.70 0.82 -0.42 2.57 -0.00 -1.34 -3.36 115.31 112.87 1a88 h LEU 265 Ca -0.12 -0.61 0.02 0.00 -0.00 0.00 0.00 57.88 57.17 1a88 h LEU 265 Cb 1.35 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 41.73 1a88 h LEU 265 CO 0.04 1.41 0.24 0.78 -0.00 0.00 0.00 178.44 180.90 1a88 h ASN 266 N 0.40 0.37 -0.48 -0.43 2.35 -1.41 -0.06 115.58 116.31 1a88 h ASN 266 Ca -0.09 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.64 1a88 h ASN 266 Cb 1.56 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.84 1a88 h ASN 266 CO 0.18 0.26 0.21 -0.65 -1.65 0.00 0.00 177.43 175.78 1a88 h PRO 267 N 0.47 0.76 -0.30 0.81 0.11 -1.79 -0.32 132.00 131.76 1a88 h PRO 267 Ca 0.17 -0.11 -0.16 0.00 0.11 0.00 0.00 66.00 66.01 1a88 h PRO 267 Cb 0.04 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 1a88 h PRO 267 CO -0.10 0.63 -0.46 -0.44 -0.21 0.00 0.00 178.00 177.42 1a88 h ASP 268 N 0.76 0.85 -0.57 -2.05 3.32 -1.57 -0.27 116.42 116.89 1a88 h ASP 268 Ca 0.18 -0.42 -0.06 0.00 0.02 0.00 0.00 57.03 56.75 1a88 h ASP 268 Cb 0.15 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1a88 h ASP 268 CO -0.02 1.18 0.12 -0.07 -1.72 0.00 0.00 179.24 178.73 1a88 h LEU 269 N 0.63 0.88 -0.43 1.55 3.38 -0.40 -2.69 115.31 118.23 1a88 h LEU 269 Ca 0.04 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1a88 h LEU 269 Cb 1.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1a88 h LEU 269 CO 0.10 0.90 0.28 0.25 0.09 0.00 0.00 178.44 180.06 1a88 h LEU 270 N 0.83 0.48 -0.87 1.67 5.85 -0.90 -1.34 115.31 121.03 1a88 h LEU 270 Ca 0.18 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1a88 h LEU 270 Cb 0.38 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1a88 h LEU 270 CO 0.01 0.35 0.55 0.00 -0.34 0.00 0.00 178.44 179.01 1a88 h ALA 271 N 1.16 1.16 -0.32 1.25 0.00 -0.98 -0.31 119.26 121.22 1a88 h ALA 271 Ca 0.16 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1a88 h ALA 271 Cb -0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1a88 h ALA 271 CO -0.04 0.37 -0.05 0.35 0.00 0.00 0.00 179.25 179.88 1a88 h PHE 272 N 1.06 0.66 -0.21 0.00 3.57 -1.25 -0.31 116.94 120.46 1a88 h PHE 272 Ca 0.35 -0.13 -0.06 0.00 3.53 0.00 0.00 57.97 61.66 1a88 h PHE 272 Cb 0.05 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1a88 h PHE 272 CO -0.02 0.75 -0.14 0.28 -2.23 0.00 0.00 178.31 176.96 1a88 h VAL 273 N 0.38 1.21 0.00 1.41 2.07 -0.73 -3.02 116.25 117.57 1a88 h VAL 273 Ca 0.08 -0.91 -0.14 0.00 0.82 0.00 0.00 66.70 66.55 1a88 h VAL 273 Cb 0.52 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1a88 h VAL 273 CO 0.03 0.29 -0.65 0.11 0.02 0.00 0.00 177.57 177.36 1a88 h LYS 274 N 0.32 0.00 0.00 1.57 1.57 -0.66 -3.51 116.57 115.86 1a88 h LYS 274 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1a88 h LYS 274 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1a88 h LYS 274 CO 0.03 0.65 0.00 -1.13 -0.57 0.00 0.00 179.45 178.43