#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a55 n ASN 1 N 0.00 -7.66 0.07 6.12 5.03 -1.26 -4.55 115.26 113.00 2a55 n ASN 1 Ca 0.00 0.89 0.12 0.00 0.87 0.00 0.00 54.58 56.46 2a55 n ASN 1 Cb 0.00 -4.11 0.15 0.00 -1.02 0.00 0.00 39.78 34.79 2a55 n ASN 1 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2a55 n GLY 3 N 1.31 0.85 3.65 0.00 0.00 -1.26 -4.52 105.19 105.22 2a55 n GLY 3 Ca 0.03 -1.68 -0.57 0.00 0.00 0.00 0.00 46.02 43.80 2a55 n GLY 3 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2a55 n PRO 4 N 0.98 0.92 -1.30 1.61 -0.02 -1.15 -4.72 135.00 131.33 2a55 n PRO 4 Ca 0.00 0.34 -0.57 0.00 -2.02 0.00 0.00 63.50 61.24 2a55 n PRO 4 Cb 0.00 -1.97 -0.11 0.00 -0.02 0.00 0.00 33.50 31.40 2a55 n PRO 4 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2a55 n PRO 5 N 3.86 0.27 -0.10 0.52 -0.02 -1.26 -4.92 135.00 133.35 2a55 n PRO 5 Ca 0.23 0.07 -0.08 0.00 -2.02 0.00 0.00 63.50 61.70 2a55 n PRO 5 Cb 0.13 -1.74 0.08 0.00 -0.02 0.00 0.00 33.50 31.94 2a55 n PRO 5 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2a55 n PRO 6 N 7.70 -2.58 -3.63 0.52 -0.04 -1.26 -5.00 135.00 130.71 2a55 n PRO 6 Ca 0.52 -0.41 -0.36 0.00 -0.04 0.00 0.00 63.50 63.21 2a55 n PRO 6 Cb 0.03 -0.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.92 2a55 n PRO 6 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2a55 s THR 7 N -1.34 5.36 -0.30 0.52 -1.32 -1.26 -5.06 115.64 112.23 2a55 s THR 7 Ca 0.18 0.38 -0.04 0.00 -1.21 0.00 0.00 61.69 61.00 2a55 s THR 7 Cb -0.03 -3.55 0.03 0.00 -1.51 0.00 0.00 72.50 67.44 2a55 s THR 7 CO 0.15 0.41 0.04 -0.76 -2.21 0.00 0.00 174.62 172.25 2a55 s LEU 8 N 0.41 3.90 0.36 9.08 1.02 -1.26 -4.95 118.68 127.25 2a55 s LEU 8 Ca 0.12 -1.05 0.25 0.00 0.02 0.00 0.00 54.13 53.48 2a55 s LEU 8 Cb -0.12 -1.79 1.32 0.00 0.02 0.00 0.00 46.19 45.62 2a55 s LEU 8 CO 0.01 -0.25 1.77 0.77 0.02 0.00 0.00 176.35 178.68 2a55 h SER 9 N 8.12 0.00 0.57 2.29 4.64 -2.01 0.12 113.55 127.28 2a55 h SER 9 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2a55 h SER 9 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2a55 h SER 9 CO 0.58 0.00 -0.39 0.49 -0.87 0.00 0.00 176.83 176.64 2a55 n PHE 10 N -2.39 0.00 -3.77 4.77 3.72 -1.26 -4.88 117.46 113.66 2a55 n PHE 10 Ca -0.01 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.29 2a55 n PHE 10 Cb 0.07 -0.29 -0.05 0.00 -0.94 0.00 0.00 39.48 38.28 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2a55 s ALA 11 N -2.96 -0.68 -0.03 4.37 0.00 0.42 -4.19 121.76 118.68 2a55 s ALA 11 Ca 0.13 -0.35 0.06 0.00 0.00 0.00 0.00 51.96 51.79 2a55 s ALA 11 Cb 0.18 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 2a55 s ALA 11 CO 0.66 -0.71 -0.20 0.00 0.00 0.00 0.00 175.76 175.51 2a55 s ALA 12 N -3.87 1.74 0.37 0.00 0.00 0.11 -4.23 121.76 115.87 2a55 s ALA 12 Ca 0.09 -0.85 -0.25 0.00 0.00 0.00 0.00 51.96 50.95 2a55 s ALA 12 Cb 0.01 -0.51 -0.12 0.00 0.00 0.00 0.00 23.12 22.50 2a55 s ALA 12 CO -0.05 0.37 0.91 -2.30 0.00 0.00 0.00 175.76 174.68 2a55 n PRO 13 N 2.87 1.16 0.00 0.00 -0.02 -1.26 -1.77 135.00 135.97 2a55 n PRO 13 Ca -0.17 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2a55 n PRO 13 Cb 0.53 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 2a55 n PRO 13 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2a55 n MET 14 N 0.43 0.00 0.00 -0.52 2.81 -1.26 -4.82 117.12 113.77 2a55 n MET 14 Ca 0.10 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 2a55 n MET 14 Cb 0.37 -0.07 0.00 0.00 -0.71 0.00 0.00 33.22 32.80 2a55 n MET 14 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2a55 n ASP 15 N 0.00 0.00 -2.93 7.83 2.03 -1.26 -4.89 116.55 117.33 2a55 n ASP 15 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2a55 n ASP 15 Cb 0.07 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 2a55 n ASP 15 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a55 n ILE 16 N 0.00 -1.50 0.56 5.18 3.06 -1.26 -4.66 119.36 120.74 2a55 n ILE 16 Ca 0.00 0.29 0.00 0.00 -2.50 0.00 0.00 62.75 60.54 2a55 n ILE 16 Cb 0.00 -2.59 0.00 0.00 0.54 0.00 0.00 39.64 37.59 2a55 n ILE 16 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 2a55 n THR 17 N 1.68 0.35 -3.42 9.51 -1.04 -1.26 -4.77 114.28 115.33 2a55 n THR 17 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 2a55 n THR 17 Cb 0.29 -0.59 -0.05 0.00 -1.82 0.00 0.00 70.33 68.15 2a55 n THR 17 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2a55 n LEU 18 N 0.53 -0.53 -0.00 -4.42 7.99 -1.26 -4.71 117.00 114.60 2a55 n LEU 18 Ca 0.00 -0.76 0.08 0.00 -0.01 0.00 0.00 56.01 55.32 2a55 n LEU 18 Cb 0.23 -0.96 -0.14 0.00 -0.11 0.00 0.00 43.42 42.43 2a55 n LEU 18 CO 0.00 0.13 -0.68 1.07 -1.51 0.00 0.00 177.39 176.40 2a55 n THR 19 N -2.82 0.28 -3.88 -5.08 5.66 -1.26 -4.90 114.28 102.29 2a55 n THR 19 Ca -0.02 -0.55 -0.17 0.00 -3.05 0.00 0.00 64.05 60.26 2a55 n THR 19 Cb 0.32 -0.13 -0.16 0.00 -1.55 0.00 0.00 70.33 68.81 2a55 n THR 19 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2a55 s GLU 20 N -3.36 0.21 0.00 1.09 2.56 -1.26 -5.02 118.70 112.92 2a55 s GLU 20 Ca -0.07 0.11 0.26 0.00 0.00 0.00 0.00 54.97 55.27 2a55 s GLU 20 Cb 0.12 -0.43 1.10 0.00 2.00 0.00 0.00 34.13 36.92 2a55 s GLU 20 CO 0.88 -0.15 1.82 2.41 -0.56 0.00 0.00 175.26 179.66 2a55 n THR 21 N 4.19 0.24 -4.46 -1.70 -1.04 -1.26 -4.82 114.28 105.43 2a55 n THR 21 Ca -0.26 0.06 -0.23 0.00 -2.04 0.00 0.00 64.05 61.58 2a55 n THR 21 Cb 0.50 -0.62 -0.10 0.00 -1.82 0.00 0.00 70.33 68.29 2a55 n THR 21 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2a55 s ARG 22 N -2.98 1.63 -0.25 -2.82 0.52 -1.26 -2.91 118.95 110.88 2a55 s ARG 22 Ca 0.13 -1.82 -0.03 0.00 -0.52 0.00 0.00 55.73 53.49 2a55 s ARG 22 Cb 0.17 -1.37 0.14 0.00 0.52 0.00 0.00 34.95 34.40 2a55 s ARG 22 CO 0.46 0.10 0.42 -0.06 0.02 0.00 0.00 175.30 176.25 2a55 s PHE 23 N -2.85 -0.96 1.13 -0.53 0.40 -1.26 -5.02 117.98 108.89 2a55 s PHE 23 Ca 0.30 1.07 -0.18 0.00 -0.60 0.00 0.00 56.93 57.52 2a55 s PHE 23 Cb 0.02 0.15 0.15 0.00 0.51 0.00 0.00 43.02 43.86 2a55 s PHE 23 CO 0.13 -0.72 0.18 0.36 0.70 0.00 0.00 175.22 175.87 2a55 n LYS 24 N 5.38 -2.10 0.00 0.44 2.85 -1.26 -3.78 118.16 119.69 2a55 n LYS 24 Ca -0.04 -0.61 0.06 0.00 -1.05 0.00 0.00 58.31 56.68 2a55 n LYS 24 Cb 0.50 -1.67 0.34 0.00 -0.65 0.00 0.00 35.03 33.56 2a55 n LYS 24 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2a55 n THR 25 N -4.57 0.41 -1.20 0.58 -2.24 -1.26 -1.86 114.28 104.14 2a55 n THR 25 Ca 0.03 0.10 -0.01 0.00 -2.27 0.00 0.00 64.05 61.90 2a55 n THR 25 Cb 0.55 -0.90 0.24 0.00 -2.10 0.00 0.00 70.33 68.12 2a55 n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a55 n GLY 26 N -0.21 4.35 3.96 3.38 0.00 -1.26 -4.15 105.19 111.26 2a55 n GLY 26 Ca 0.07 -1.11 -0.20 0.00 0.00 0.00 0.00 46.02 44.78 2a55 n GLY 26 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2a55 s THR 27 N -3.06 4.67 -0.30 2.61 -1.32 -0.78 -5.02 115.64 112.45 2a55 s THR 27 Ca 0.46 -1.04 -0.13 0.00 -1.21 0.00 0.00 61.69 59.77 2a55 s THR 27 Cb 0.39 -3.62 0.13 0.00 -1.51 0.00 0.00 72.50 67.89 2a55 s THR 27 CO 0.06 -0.26 0.77 -0.89 -2.21 0.00 0.00 174.62 172.10 2a55 s THR 28 N -2.08 -0.61 0.00 5.08 2.01 -1.25 -3.56 115.64 115.22 2a55 s THR 28 Ca 0.38 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.38 2a55 s THR 28 Cb -0.09 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.42 2a55 s THR 28 CO 0.29 0.00 0.00 0.18 -0.69 0.00 0.00 174.62 174.40 2a55 n LEU 29 N 4.98 0.00 0.00 4.42 7.99 -0.98 -4.84 117.00 128.56 2a55 n LEU 29 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.87 2a55 n LEU 29 Cb 0.52 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.83 2a55 n LEU 29 CO -0.03 -0.39 0.00 1.17 -1.51 0.00 0.00 177.39 176.63 2a55 n LYS 30 N -0.78 0.00 -1.38 3.23 0.00 -1.26 -3.98 118.16 113.99 2a55 n LYS 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2a55 n LYS 30 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2a55 n LYS 30 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2a55 n TYR 31 N -0.88 -3.78 -4.43 5.64 4.02 -1.26 -3.98 117.16 112.48 2a55 n TYR 31 Ca 0.00 2.01 -0.24 0.00 -0.01 0.00 0.00 57.90 59.66 2a55 n TYR 31 Cb 0.00 -3.17 -0.10 0.00 -0.02 0.00 0.00 39.34 36.04 2a55 n TYR 31 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2a55 s THR 32 N -3.08 2.31 -0.06 -0.72 -1.32 -0.73 -4.83 115.64 107.20 2a55 s THR 32 Ca 0.00 -2.28 -0.00 0.00 -1.21 0.00 0.00 61.69 58.20 2a55 s THR 32 Cb 0.00 -2.20 -0.03 0.00 -1.51 0.00 0.00 72.50 68.76 2a55 s THR 32 CO 0.00 -0.37 -0.03 0.00 -2.21 0.00 0.00 174.62 172.02 2a55 n LEU 34 N 2.00 -2.48 -0.11 0.00 4.77 -1.26 -4.73 117.00 115.20 2a55 n LEU 34 Ca -0.17 0.24 0.24 0.00 -0.03 0.00 0.00 56.01 56.29 2a55 n LEU 34 Cb 0.53 -1.01 0.69 0.00 -2.33 0.00 0.00 43.42 41.30 2a55 n LEU 34 CO 0.29 -4.41 1.23 -0.65 -1.33 0.00 0.00 177.39 172.51 2a55 h PRO 35 N -1.38 0.03 -0.04 3.23 0.11 -1.99 0.40 132.00 132.37 2a55 h PRO 35 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2a55 h PRO 35 Cb 1.30 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2a55 h PRO 35 CO 0.30 0.02 0.00 0.41 -0.21 0.00 0.00 178.00 178.52 2a55 n GLY 36 N -1.67 0.46 3.45 -0.55 0.00 -1.26 -4.76 105.19 100.87 2a55 n GLY 36 Ca 0.15 -0.55 -0.44 0.00 0.00 0.00 0.00 46.02 45.18 2a55 n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a55 s TYR 37 N -1.98 3.00 0.63 1.61 2.02 0.13 -3.31 117.35 119.45 2a55 s TYR 37 Ca 0.34 -1.19 -0.16 0.00 -0.37 0.00 0.00 57.07 55.69 2a55 s TYR 37 Cb 0.21 -4.29 -0.02 0.00 -0.40 0.00 0.00 41.96 37.45 2a55 s TYR 37 CO 0.32 -1.53 1.10 0.08 -1.57 0.00 0.00 175.55 173.95 2a55 s VAL 38 N 3.06 3.36 -0.05 0.71 1.01 -1.12 -4.73 120.40 122.63 2a55 s VAL 38 Ca 0.30 0.67 0.04 0.00 0.00 0.00 0.00 61.98 62.99 2a55 s VAL 38 Cb -0.08 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 2a55 s VAL 38 CO -0.05 -0.36 -0.17 0.00 0.00 0.00 0.00 175.10 174.53 2a55 s ARG 39 N -3.96 2.52 -0.04 2.72 1.04 -1.26 0.22 118.95 120.18 2a55 s ARG 39 Ca 0.67 -0.74 0.13 0.00 -1.04 0.00 0.00 55.73 54.75 2a55 s ARG 39 Cb -0.20 -2.33 -0.20 0.00 -2.04 0.00 0.00 34.95 30.18 2a55 s ARG 39 CO 0.38 0.57 0.24 0.45 -0.04 0.00 0.00 175.30 176.89 2a55 n SER 40 N 2.47 1.89 0.00 -2.89 2.88 -1.25 -4.69 113.62 112.03 2a55 n SER 40 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 2a55 n SER 40 Cb 0.52 1.43 0.00 0.00 -0.75 0.00 0.00 64.21 65.41 2a55 n SER 40 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2a55 n HIS 41 N -2.09 0.00 0.00 0.66 8.25 -1.25 -5.02 115.22 115.76 2a55 n HIS 41 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2a55 n HIS 41 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 2a55 n HIS 41 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2a55 n SER 42 N -1.60 0.00 -4.56 0.41 2.88 -1.24 -4.91 113.62 104.61 2a55 n SER 42 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 2a55 n SER 42 Cb 0.34 -0.47 -0.04 0.00 -0.75 0.00 0.00 64.21 63.29 2a55 n SER 42 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2a55 s THR 43 N -1.51 3.44 -0.52 2.46 2.01 -1.26 -4.92 115.64 115.33 2a55 s THR 43 Ca 0.00 -0.16 -0.17 0.00 0.31 0.00 0.00 61.69 61.67 2a55 s THR 43 Cb 0.00 -4.04 0.10 0.00 0.01 0.00 0.00 72.50 68.57 2a55 s THR 43 CO 0.00 -0.99 0.52 -1.10 -0.69 0.00 0.00 174.62 172.37 2a55 s GLN 44 N 6.93 3.02 -0.18 4.92 -0.21 -1.26 -4.56 119.66 128.31 2a55 s GLN 44 Ca 0.68 -1.40 -0.15 0.00 0.02 0.00 0.00 55.36 54.50 2a55 s GLN 44 Cb -0.09 -4.21 0.05 0.00 1.00 0.00 0.00 33.01 29.76 2a55 s GLN 44 CO 0.07 -1.26 0.48 0.95 -2.12 0.00 0.00 175.29 173.41 2a55 s THR 45 N 1.97 -0.00 -0.55 -0.19 -4.23 -1.26 -4.52 115.64 106.85 2a55 s THR 45 Ca 0.07 0.02 -0.12 0.00 -1.18 0.00 0.00 61.69 60.47 2a55 s THR 45 Cb -0.26 -0.68 0.14 0.00 1.34 0.00 0.00 72.50 73.04 2a55 s THR 45 CO 0.06 0.01 0.47 -0.76 -0.54 0.00 0.00 174.62 173.85 2a55 s LEU 46 N 0.54 6.00 0.08 4.79 1.43 -1.26 -4.50 118.68 125.75 2a55 s LEU 46 Ca -0.02 -2.03 0.01 0.00 -1.03 0.00 0.00 54.13 51.06 2a55 s LEU 46 Cb -0.04 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 2a55 s LEU 46 CO -0.03 -0.72 0.17 -0.89 0.23 0.00 0.00 176.35 175.12 2a55 s THR 47 N 1.20 5.09 -0.34 5.49 2.01 -1.16 -2.33 115.64 125.59 2a55 s THR 47 Ca 0.07 -0.55 -0.22 0.00 0.31 0.00 0.00 61.69 61.30 2a55 s THR 47 Cb -0.25 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 68.77 2a55 s THR 47 CO -0.01 0.11 0.73 0.00 -0.69 0.00 0.00 174.62 174.76 2a55 n ASN 49 N 6.21 0.87 -3.08 0.00 0.23 -1.00 -4.35 115.26 114.14 2a55 n ASN 49 Ca 0.02 -1.68 -0.39 0.00 -0.53 0.00 0.00 54.58 52.00 2a55 n ASN 49 Cb 0.48 -0.28 0.03 0.00 -2.08 0.00 0.00 39.78 37.94 2a55 n ASN 49 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2a55 n SER 50 N -2.82 7.20 -0.00 0.53 2.88 -1.26 -4.32 113.62 115.83 2a55 n SER 50 Ca 0.08 -3.79 -0.00 0.00 -1.33 0.00 0.00 58.87 53.83 2a55 n SER 50 Cb 0.30 -1.04 -0.00 0.00 -0.75 0.00 0.00 64.21 62.72 2a55 n SER 50 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2a55 n ASP 51 N -0.40 4.15 0.00 -3.46 -0.08 -1.26 -5.01 116.55 110.49 2a55 n ASP 51 Ca 0.50 -0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.78 2a55 n ASP 51 Cb 0.27 0.11 0.00 0.00 2.34 0.00 0.00 41.12 43.85 2a55 n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2a55 n GLY 52 N 3.34 -0.55 0.00 0.27 0.00 -1.26 -5.11 105.19 101.88 2a55 n GLY 52 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2a55 n GLY 52 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2a55 n GLU 53 N 0.00 0.00 -1.93 1.61 0.28 -1.26 -4.76 120.64 114.57 2a55 n GLU 53 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.80 2a55 n GLU 53 Cb 0.00 0.00 0.12 0.00 1.43 0.00 0.00 31.44 32.99 2a55 n GLU 53 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 2a55 n TRP 54 N 0.00 -3.37 -3.51 -1.84 7.02 -1.26 -2.37 117.44 112.11 2a55 n TRP 54 Ca 0.00 -1.24 -0.16 0.00 -1.02 0.00 0.00 57.50 55.08 2a55 n TRP 54 Cb 0.00 -0.66 -0.05 0.00 -2.42 0.00 0.00 31.31 28.18 2a55 n TRP 54 CO 0.00 0.00 0.00 0.14 -2.02 0.00 0.00 177.69 175.81 2a55 s VAL 55 N -2.72 0.00 0.00 -0.99 -7.23 -0.78 -4.72 120.40 103.97 2a55 s VAL 55 Ca 0.55 -0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.69 2a55 s VAL 55 Cb -0.02 -0.99 0.00 0.00 0.56 0.00 0.00 36.38 35.93 2a55 s VAL 55 CO 0.37 -0.01 0.00 0.00 -0.31 0.00 0.00 175.10 175.15 2a55 n TYR 56 N 0.63 0.00 -0.35 2.82 4.11 -1.26 -2.99 117.16 120.12 2a55 n TYR 56 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.71 2a55 n TYR 56 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.93 2a55 n TYR 56 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 2a55 n ASN 57 N 0.00 0.00 -0.25 9.48 5.03 -1.26 -3.22 115.26 125.03 2a55 n ASN 57 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2a55 n ASN 57 Cb 0.02 -1.83 0.00 0.00 -1.02 0.00 0.00 39.78 36.95 2a55 n ASN 57 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 2a55 n THR 58 N -1.27 -0.34 0.09 3.41 -1.04 -1.26 -5.04 114.28 108.84 2a55 n THR 58 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 2a55 n THR 58 Cb 0.00 -0.67 -0.08 0.00 -1.82 0.00 0.00 70.33 67.76 2a55 n THR 58 CO 0.00 0.00 0.00 2.19 -0.64 0.00 0.00 175.07 176.62 2a55 h PHE 59 N 0.00 -0.21 -3.21 -1.42 -5.15 -1.79 -3.39 116.94 101.76 2a55 h PHE 59 Ca 0.00 -0.01 -0.74 0.00 -0.20 0.00 0.00 57.97 57.02 2a55 h PHE 59 Cb 0.00 0.07 -0.26 0.00 0.22 0.00 0.00 35.95 35.99 2a55 h PHE 59 CO 0.00 0.10 -0.30 0.00 -2.00 0.00 0.00 178.31 176.11 2a55 s ILE 61 N 1.53 3.68 -0.02 0.00 2.07 0.58 -4.65 121.20 124.39 2a55 s ILE 61 Ca 0.04 0.23 -0.30 0.00 -1.41 0.00 0.00 60.65 59.21 2a55 s ILE 61 Cb -0.27 -4.76 -0.08 0.00 0.13 0.00 0.00 42.46 37.48 2a55 s ILE 61 CO 0.03 -1.70 2.01 -0.47 -1.91 0.00 0.00 174.94 172.90 2a55 s TYR 62 N 6.29 1.27 -0.30 3.50 6.14 -1.24 -2.78 117.35 130.23 2a55 s TYR 62 Ca 0.42 -0.25 -0.08 0.00 0.64 0.00 0.00 57.07 57.79 2a55 s TYR 62 Cb -0.08 -4.18 0.15 0.00 0.42 0.00 0.00 41.96 38.27 2a55 s TYR 62 CO 0.13 -5.25 0.69 -1.59 0.64 0.00 0.00 175.55 170.17 2a55 s LYS 63 N 4.83 0.53 0.24 4.97 -2.85 -1.21 -4.83 119.74 121.42 2a55 s LYS 63 Ca 0.91 1.20 0.09 0.00 -1.00 0.00 0.00 55.97 57.16 2a55 s LYS 63 Cb -0.40 0.71 -0.05 0.00 -2.06 0.00 0.00 37.83 36.03 2a55 s LYS 63 CO 0.40 -0.30 -0.15 1.03 0.10 0.00 0.00 175.35 176.43 2a55 s ARG 64 N 2.84 1.47 -0.09 1.78 0.52 -1.26 -2.35 118.95 121.86 2a55 s ARG 64 Ca 0.02 -1.67 -0.12 0.00 -0.52 0.00 0.00 55.73 53.44 2a55 s ARG 64 Cb -0.12 -1.33 -0.05 0.00 0.52 0.00 0.00 34.95 33.97 2a55 s ARG 64 CO -0.19 0.21 0.28 0.00 0.02 0.00 0.00 175.30 175.62 2a55 n ARG 66 N 2.35 2.23 -1.65 0.00 3.00 -1.26 -4.80 116.66 116.54 2a55 n ARG 66 Ca -0.16 0.80 -0.45 0.00 -0.00 0.00 0.00 57.85 58.04 2a55 n ARG 66 Cb 0.53 -2.52 -0.04 0.00 0.00 0.00 0.00 32.46 30.43 2a55 n ARG 66 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 2a55 n HIS 67 N 2.53 2.31 -0.39 -0.14 -0.00 -1.26 -4.81 115.22 113.46 2a55 n HIS 67 Ca 0.13 -0.16 0.39 0.00 -0.00 0.00 0.00 57.72 58.07 2a55 n HIS 67 Cb 0.32 -2.73 0.76 0.00 -0.00 0.00 0.00 29.99 28.34 2a55 n HIS 67 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2a55 h PRO 68 N 10.87 0.00 0.00 1.57 0.11 -1.96 -3.47 132.00 139.12 2a55 h PRO 68 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2a55 h PRO 68 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2a55 h PRO 68 CO 0.95 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.15 2a55 n GLY 69 N -1.79 -1.30 3.74 -0.55 0.00 -1.26 -4.72 105.19 99.31 2a55 n GLY 69 Ca 0.29 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 2a55 n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2a55 s GLU 70 N 0.00 4.76 -0.64 1.61 2.12 -1.26 -4.88 118.70 120.41 2a55 s GLU 70 Ca 0.00 1.54 -0.18 0.00 0.36 0.00 0.00 54.97 56.68 2a55 s GLU 70 Cb 0.00 -3.30 0.12 0.00 0.26 0.00 0.00 34.13 31.21 2a55 s GLU 70 CO 0.00 0.35 0.73 -1.17 -0.54 0.00 0.00 175.26 174.64 2a55 s LEU 71 N -0.78 5.55 0.06 2.70 0.20 -1.26 -5.01 118.68 120.14 2a55 s LEU 71 Ca 0.44 -1.64 -0.30 0.00 0.69 0.00 0.00 54.13 53.32 2a55 s LEU 71 Cb -0.26 -2.30 -0.09 0.00 -0.43 0.00 0.00 46.19 43.12 2a55 s LEU 71 CO 0.33 -1.04 1.81 -0.60 -0.29 0.00 0.00 176.35 176.55 2a55 s ARG 72 N 2.36 4.16 -0.92 1.98 3.52 -1.26 -0.74 118.95 128.06 2a55 s ARG 72 Ca 0.13 2.48 -0.02 0.00 -0.13 0.00 0.00 55.73 58.20 2a55 s ARG 72 Cb -0.22 -3.84 0.00 0.00 -1.56 0.00 0.00 34.95 29.34 2a55 s ARG 72 CO 0.03 -0.85 0.77 0.09 -0.81 0.00 0.00 175.30 174.53 2a55 n ASN 73 N 6.48 -2.77 -3.79 -2.12 3.02 -1.26 -4.74 115.26 110.07 2a55 n ASN 73 Ca 0.18 -0.45 0.02 0.00 -0.03 0.00 0.00 54.58 54.31 2a55 n ASN 73 Cb 0.40 -3.91 0.01 0.00 -0.61 0.00 0.00 39.78 35.68 2a55 n ASN 73 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2a55 s GLY 74 N -3.83 -0.09 -0.02 7.41 0.00 0.09 -2.54 107.32 108.34 2a55 s GLY 74 Ca 0.10 -0.03 0.02 0.00 0.00 0.00 0.00 44.72 44.82 2a55 s GLY 74 CO 0.54 5.56 -0.08 1.20 0.00 0.00 0.00 173.10 180.33 2a55 s GLN 75 N -2.02 0.74 -0.43 2.90 -0.21 -0.02 -4.53 119.66 116.08 2a55 s GLN 75 Ca 0.29 -0.27 -0.11 0.00 0.02 0.00 0.00 55.36 55.30 2a55 s GLN 75 Cb -0.01 -0.71 0.08 0.00 1.00 0.00 0.00 33.01 33.36 2a55 s GLN 75 CO -0.00 0.13 0.30 0.08 -2.12 0.00 0.00 175.29 173.67 2a55 s VAL 76 N 0.04 4.49 -0.79 1.09 1.01 -1.26 -2.36 120.40 122.62 2a55 s VAL 76 Ca -0.00 -1.32 -0.25 0.00 0.00 0.00 0.00 61.98 60.40 2a55 s VAL 76 Cb -0.06 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2a55 s VAL 76 CO -0.00 -0.53 1.64 -0.70 0.00 0.00 0.00 175.10 175.51 2a55 s GLU 77 N 1.48 2.96 0.07 2.72 2.56 -0.82 -4.96 118.70 122.71 2a55 s GLU 77 Ca 0.03 -0.17 0.04 0.00 0.00 0.00 0.00 54.97 54.87 2a55 s GLU 77 Cb -0.23 -4.68 -0.04 0.00 2.00 0.00 0.00 34.13 31.18 2a55 s GLU 77 CO 0.03 -2.61 0.01 -1.50 -0.56 0.00 0.00 175.26 170.63 2a55 s ILE 78 N 7.55 4.09 0.00 -3.70 1.10 -1.26 -4.14 121.20 124.84 2a55 s ILE 78 Ca 0.55 -0.89 0.00 0.00 -0.51 0.00 0.00 60.65 59.80 2a55 s ILE 78 Cb -0.07 -2.93 0.00 0.00 0.15 0.00 0.00 42.46 39.61 2a55 s ILE 78 CO 0.08 0.17 0.22 2.29 -2.11 0.00 0.00 174.94 175.59 2a55 n LYS 79 N 0.73 0.00 -0.23 3.50 0.00 -1.26 -4.96 118.16 115.93 2a55 n LYS 79 Ca -0.11 -0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.05 2a55 n LYS 79 Cb 0.52 0.26 0.00 0.00 -0.00 0.00 0.00 35.03 35.81 2a55 n LYS 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2a55 n THR 80 N 0.00 0.00 -0.96 0.58 -2.24 -1.26 -4.97 114.28 105.43 2a55 n THR 80 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2a55 n THR 80 Cb 0.27 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 2a55 n THR 80 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2a55 n ASP 81 N 0.00 -5.66 -2.54 3.42 8.00 -1.26 -1.74 116.55 116.77 2a55 n ASP 81 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 2a55 n ASP 81 Cb 0.55 -3.41 0.05 0.00 -0.02 0.00 0.00 41.12 38.29 2a55 n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2a55 n LEU 82 N 0.00 -3.86 -4.62 0.64 4.77 -1.26 -4.79 117.00 107.88 2a55 n LEU 82 Ca 0.00 -0.41 -0.34 0.00 -0.03 0.00 0.00 56.01 55.22 2a55 n LEU 82 Cb 0.47 -2.14 -0.10 0.00 -2.33 0.00 0.00 43.42 39.32 2a55 n LEU 82 CO 0.00 0.13 -0.27 -0.94 -1.33 0.00 0.00 177.39 174.98 2a55 s SER 83 N -3.47 5.51 0.03 -1.43 1.04 -0.71 -0.86 113.70 113.81 2a55 s SER 83 Ca 0.17 0.06 -0.11 0.00 0.48 0.00 0.00 55.95 56.55 2a55 s SER 83 Cb -0.02 -1.92 -0.06 0.00 0.10 0.00 0.00 66.02 64.11 2a55 s SER 83 CO 0.45 0.19 0.26 0.33 0.98 0.00 0.00 173.24 175.44 2a55 n PHE 84 N 3.45 0.02 -1.56 5.02 7.35 -0.99 -3.79 117.46 126.97 2a55 n PHE 84 Ca -0.17 0.33 0.00 0.00 -0.76 0.00 0.00 57.45 56.86 2a55 n PHE 84 Cb 0.52 -0.66 0.00 0.00 0.35 0.00 0.00 39.48 39.69 2a55 n PHE 84 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2a55 n GLY 85 N 0.58 0.65 3.53 7.13 0.00 -0.51 -4.93 105.19 111.64 2a55 n GLY 85 Ca 0.06 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 2a55 n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a55 s SER 86 N -2.80 -0.66 -0.02 1.61 0.01 -1.25 -4.94 113.70 105.65 2a55 s SER 86 Ca 0.00 0.75 0.07 0.00 1.31 0.00 0.00 55.95 58.09 2a55 s SER 86 Cb 0.00 0.59 -0.02 0.00 0.21 0.00 0.00 66.02 66.80 2a55 s SER 86 CO 0.00 -0.58 -0.24 0.00 0.41 0.00 0.00 173.24 172.83 2a55 s GLN 87 N -1.09 2.18 -0.45 12.44 1.03 -1.23 -1.83 119.66 130.69 2a55 s GLN 87 Ca -0.10 -0.89 0.03 0.00 0.04 0.00 0.00 55.36 54.44 2a55 s GLN 87 Cb -0.00 -2.10 0.12 0.00 0.03 0.00 0.00 33.01 31.06 2a55 s GLN 87 CO 0.09 0.57 0.20 0.96 -2.54 0.00 0.00 175.29 174.58 2a55 s ILE 88 N -0.63 2.16 0.68 3.63 -4.36 -0.99 -4.87 121.20 116.81 2a55 s ILE 88 Ca 0.10 -2.84 -0.17 0.00 -0.26 0.00 0.00 60.65 57.48 2a55 s ILE 88 Cb -0.10 -2.53 -0.01 0.00 1.25 0.00 0.00 42.46 41.07 2a55 s ILE 88 CO -0.01 -0.77 1.02 -0.62 0.24 0.00 0.00 174.94 174.80 2a55 n GLU 89 N 3.54 0.71 -4.27 0.37 1.02 -1.25 -4.13 120.64 116.62 2a55 n GLU 89 Ca 0.05 0.29 -0.30 0.00 -0.02 0.00 0.00 57.16 57.19 2a55 n GLU 89 Cb 0.35 -2.25 -0.03 0.00 -0.02 0.00 0.00 31.44 29.48 2a55 n GLU 89 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2a55 s PHE 90 N -1.66 1.65 -0.30 -0.32 0.40 -1.08 -1.95 117.98 114.73 2a55 s PHE 90 Ca 0.76 -0.92 -0.10 0.00 -0.60 0.00 0.00 56.93 56.08 2a55 s PHE 90 Cb -0.37 -1.77 0.15 0.00 0.51 0.00 0.00 43.02 41.53 2a55 s PHE 90 CO 0.47 -0.20 0.71 -1.54 0.70 0.00 0.00 175.22 175.36 2a55 s SER 91 N -4.13 -1.06 -0.27 1.36 1.04 -1.00 -4.93 113.70 104.71 2a55 s SER 91 Ca 0.20 1.31 -0.21 0.00 0.48 0.00 0.00 55.95 57.73 2a55 s SER 91 Cb -0.01 2.15 -0.01 0.00 0.10 0.00 0.00 66.02 68.25 2a55 s SER 91 CO 0.12 -0.20 0.68 0.00 0.98 0.00 0.00 173.24 174.82 2a55 n SER 93 N 5.86 -2.75 -4.38 0.00 3.41 -1.05 -4.71 113.62 110.00 2a55 n SER 93 Ca 0.01 -0.01 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 2a55 n SER 93 Cb 0.49 -0.87 0.05 0.00 -0.26 0.00 0.00 64.21 63.61 2a55 n SER 93 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2a55 n GLU 94 N -0.63 0.25 0.00 4.33 2.13 -1.26 -2.04 120.64 123.42 2a55 n GLU 94 Ca 0.01 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.94 2a55 n GLU 94 Cb 0.64 -1.56 0.00 0.00 0.27 0.00 0.00 31.44 30.79 2a55 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2a55 n GLY 95 N 2.02 1.39 3.55 8.31 0.00 -1.26 -4.91 105.19 114.28 2a55 n GLY 95 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 2a55 n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a55 s PHE 96 N 0.00 2.92 0.33 1.61 0.08 -0.86 -0.01 117.98 122.04 2a55 s PHE 96 Ca 0.00 -0.07 0.05 0.00 0.12 0.00 0.00 56.93 57.03 2a55 s PHE 96 Cb 0.00 -1.74 -0.02 0.00 -0.57 0.00 0.00 43.02 40.69 2a55 s PHE 96 CO 0.00 0.24 0.48 -0.59 -0.10 0.00 0.00 175.22 175.26 2a55 s PHE 97 N -0.60 3.25 0.16 0.36 -0.71 -1.01 -4.18 117.98 115.25 2a55 s PHE 97 Ca 0.09 -0.05 -0.22 0.00 -1.04 0.00 0.00 56.93 55.71 2a55 s PHE 97 Cb -0.12 -1.93 -0.08 0.00 -1.21 0.00 0.00 43.02 39.68 2a55 s PHE 97 CO 0.02 0.06 0.72 -1.17 -1.34 0.00 0.00 175.22 173.50 2a55 s LEU 98 N -4.20 4.51 -0.43 -1.99 0.20 -1.26 -3.91 118.68 111.60 2a55 s LEU 98 Ca 0.42 1.50 0.07 0.00 0.69 0.00 0.00 54.13 56.81 2a55 s LEU 98 Cb -0.09 -3.29 0.18 0.00 -0.43 0.00 0.00 46.19 42.55 2a55 s LEU 98 CO 0.32 0.17 0.59 -0.63 -0.29 0.00 0.00 176.35 176.52 2a55 s ILE 99 N -1.25 -0.82 0.00 6.68 1.01 -1.20 -4.96 121.20 120.66 2a55 s ILE 99 Ca 0.36 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.47 2a55 s ILE 99 Cb -0.20 -0.18 0.00 0.00 0.01 0.00 0.00 42.46 42.09 2a55 s ILE 99 CO 0.23 -0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.62 2a55 n GLY 100 N 3.95 0.00 2.38 6.18 0.00 -1.26 -0.53 105.19 115.91 2a55 n GLY 100 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 2a55 n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a55 n SER 101 N 0.00 -8.20 0.00 1.61 7.64 -1.26 -4.48 113.62 108.92 2a55 n SER 101 Ca 0.00 1.79 0.04 0.00 1.01 0.00 0.00 58.87 61.71 2a55 n SER 101 Cb 0.00 -5.06 0.22 0.00 -1.01 0.00 0.00 64.21 58.36 2a55 n SER 101 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2a55 n THR 102 N 1.86 0.61 -4.46 0.44 -2.24 -1.26 -4.64 114.28 104.58 2a55 n THR 102 Ca -0.05 0.15 -0.24 0.00 -2.27 0.00 0.00 64.05 61.65 2a55 n THR 102 Cb 0.07 -1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 67.19 2a55 n THR 102 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2a55 s THR 103 N -2.42 2.51 -0.22 4.28 -4.23 -1.26 -2.62 115.64 111.69 2a55 s THR 103 Ca 0.09 -2.39 -0.04 0.00 -1.18 0.00 0.00 61.69 58.18 2a55 s THR 103 Cb 0.06 -2.32 0.11 0.00 1.34 0.00 0.00 72.50 71.69 2a55 s THR 103 CO 0.12 -0.40 0.31 -0.55 -0.54 0.00 0.00 174.62 173.56 2a55 s SER 104 N -3.51 0.66 -0.11 3.99 0.15 -1.26 -4.86 113.70 108.76 2a55 s SER 104 Ca 0.30 0.11 -0.08 0.00 0.70 0.00 0.00 55.95 56.98 2a55 s SER 104 Cb -0.05 0.82 -0.04 0.00 -1.71 0.00 0.00 66.02 65.04 2a55 s SER 104 CO 0.15 -0.30 0.17 -0.13 1.20 0.00 0.00 173.24 174.33 2a55 s ARG 105 N 2.46 3.50 -0.33 5.44 0.52 -1.26 -2.35 118.95 126.93 2a55 s ARG 105 Ca 0.09 -0.07 -0.17 0.00 -0.52 0.00 0.00 55.73 55.06 2a55 s ARG 105 Cb -0.15 -3.19 -0.01 0.00 0.52 0.00 0.00 34.95 32.12 2a55 s ARG 105 CO -0.14 0.77 0.48 0.00 0.02 0.00 0.00 175.30 176.44 2a55 n GLU 107 N 5.64 1.99 -3.95 0.00 4.07 0.38 -1.42 120.64 127.34 2a55 n GLU 107 Ca -0.05 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 56.88 2a55 n GLU 107 Cb 0.49 0.00 -0.16 0.00 -0.06 0.00 0.00 31.44 31.71 2a55 n GLU 107 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2a55 s VAL 108 N -0.98 0.20 -0.29 6.31 1.01 -1.26 0.17 120.40 125.56 2a55 s VAL 108 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.06 2a55 s VAL 108 Cb 0.00 -0.28 0.18 0.00 0.00 0.00 0.00 36.38 36.29 2a55 s VAL 108 CO 0.00 0.14 0.54 0.00 0.00 0.00 0.00 175.10 175.78 2a55 s GLN 109 N 0.89 0.51 0.00 2.72 -2.07 -1.26 -4.63 119.66 115.83 2a55 s GLN 109 Ca -0.09 0.54 0.00 0.00 -1.82 0.00 0.00 55.36 53.98 2a55 s GLN 109 Cb -0.12 0.13 0.00 0.00 -1.09 0.00 0.00 33.01 31.92 2a55 s GLN 109 CO -0.01 -0.94 0.00 -0.25 -1.32 0.00 0.00 175.29 172.77 2a55 n ASP 110 N 5.40 0.00 -1.13 12.60 9.92 -1.26 -4.45 116.55 137.63 2a55 n ASP 110 Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 2a55 n ASP 110 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 2a55 n ASP 110 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2a55 n ARG 111 N 0.00 0.71 0.00 -1.24 1.74 -1.26 -4.72 116.66 111.89 2a55 n ARG 111 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2a55 n ARG 111 Cb 0.00 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 2a55 n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2a55 n GLY 112 N 0.85 1.12 3.64 -0.13 0.00 -1.26 -4.76 105.19 104.65 2a55 n GLY 112 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2a55 n GLY 112 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2a55 s VAL 113 N -0.60 0.00 0.01 1.61 -7.23 -1.26 -4.67 120.40 108.26 2a55 s VAL 113 Ca 0.00 0.00 0.09 0.00 -1.81 0.00 0.00 61.98 60.26 2a55 s VAL 113 Cb 0.00 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.92 2a55 s VAL 113 CO 0.00 0.00 -0.26 -0.83 -0.31 0.00 0.00 175.10 173.70 2a55 s GLY 114 N 0.99 1.34 0.58 2.32 0.00 0.44 -4.47 107.32 108.51 2a55 s GLY 114 Ca -0.05 -1.19 -0.10 0.00 0.00 0.00 0.00 44.72 43.38 2a55 s GLY 114 CO -0.13 -1.04 0.97 -0.98 0.00 0.00 0.00 173.10 171.92 2a55 s TRP 115 N -0.71 3.61 -0.20 1.90 0.23 -1.26 -0.47 118.94 122.05 2a55 s TRP 115 Ca 0.11 1.17 0.03 0.00 -2.03 0.00 0.00 56.10 55.38 2a55 s TRP 115 Cb -0.10 -2.61 -0.21 0.00 0.03 0.00 0.00 33.47 30.58 2a55 s TRP 115 CO 0.00 -0.58 0.04 0.45 0.96 0.00 0.00 176.95 177.83 2a55 n SER 116 N -2.61 1.64 -3.65 2.95 2.88 -0.97 -4.84 113.62 109.01 2a55 n SER 116 Ca 0.05 0.02 -0.04 0.00 -1.33 0.00 0.00 58.87 57.56 2a55 n SER 116 Cb 0.54 -0.29 -0.07 0.00 -0.75 0.00 0.00 64.21 63.64 2a55 n SER 116 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2a55 s HIS 117 N -2.53 -0.17 0.00 0.66 5.65 -1.26 -4.97 115.29 112.67 2a55 s HIS 117 Ca -0.26 0.41 0.00 0.00 0.25 0.00 0.00 55.06 55.47 2a55 s HIS 117 Cb 0.08 0.44 0.00 0.00 -1.18 0.00 0.00 32.58 31.92 2a55 s HIS 117 CO 0.70 -0.08 0.00 -0.35 -0.65 0.00 0.00 174.74 174.35 2a55 n PRO 118 N 1.81 2.74 -1.48 2.88 -0.04 -1.26 -4.82 135.00 134.83 2a55 n PRO 118 Ca -0.11 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.99 2a55 n PRO 118 Cb 0.57 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.11 2a55 n PRO 118 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2a55 n LEU 119 N 0.00 5.06 0.00 1.53 7.99 -1.26 -4.97 117.00 125.34 2a55 n LEU 119 Ca 0.00 0.73 -0.00 0.00 -0.01 0.00 0.00 56.01 56.73 2a55 n LEU 119 Cb 0.00 -1.51 0.00 0.00 -0.11 0.00 0.00 43.42 41.80 2a55 n LEU 119 CO 0.00 -1.41 0.00 -0.81 -1.51 0.00 0.00 177.39 173.66 2a55 n PRO 120 N -2.27 0.40 -3.92 3.23 -0.04 -1.26 -4.93 135.00 126.22 2a55 n PRO 120 Ca 0.15 -0.01 -0.36 0.00 -0.04 0.00 0.00 63.50 63.24 2a55 n PRO 120 Cb 0.49 -0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.82 2a55 n PRO 120 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2a55 s GLN 121 N -2.61 3.62 -0.35 0.54 0.74 0.31 -4.93 119.66 116.99 2a55 s GLN 121 Ca 0.00 -0.51 -0.11 0.00 0.05 0.00 0.00 55.36 54.79 2a55 s GLN 121 Cb -0.00 -3.18 0.00 0.00 1.10 0.00 0.00 33.01 30.93 2a55 s GLN 121 CO 0.00 -0.08 0.21 0.00 -0.55 0.00 0.00 175.29 174.87 2a55 s GLU 123 N 1.63 0.98 0.42 0.00 2.12 -1.25 -4.97 118.70 117.63 2a55 s GLU 123 Ca 0.04 -0.43 -0.25 0.00 0.36 0.00 0.00 54.97 54.70 2a55 s GLU 123 Cb -0.18 -0.94 -0.08 0.00 0.26 0.00 0.00 34.13 33.19 2a55 s GLU 123 CO 0.08 0.25 1.23 -1.50 -0.54 0.00 0.00 175.26 174.78 2a55 s ILE 124 N -0.27 2.89 0.27 -3.70 2.07 -1.26 -2.41 121.20 118.79 2a55 s ILE 124 Ca 0.04 0.74 -0.29 0.00 -1.41 0.00 0.00 60.65 59.73 2a55 s ILE 124 Cb -0.05 -3.41 -0.09 0.00 0.13 0.00 0.00 42.46 39.03 2a55 s ILE 124 CO -0.00 0.07 1.15 -0.76 -1.91 0.00 0.00 174.94 173.48 2a55 s LEU 125 N -2.63 4.51 -0.23 8.50 1.43 0.98 -4.93 118.68 126.31 2a55 s LEU 125 Ca 0.59 2.33 0.13 0.00 -1.03 0.00 0.00 54.13 56.15 2a55 s LEU 125 Cb -0.34 -3.63 0.55 0.00 0.03 0.00 0.00 46.19 42.81 2a55 s LEU 125 CO 0.42 -0.25 1.49 -0.62 0.23 0.00 0.00 176.35 177.62 2a55 n GLU 126 N 1.40 2.65 -0.05 1.70 -0.58 -1.26 -3.95 120.64 120.55 2a55 n GLU 126 Ca 0.00 -2.98 -0.05 0.00 -0.42 0.00 0.00 57.16 53.72 2a55 n GLU 126 Cb 0.44 -1.88 -0.14 0.00 -0.57 0.00 0.00 31.44 29.29 2a55 n GLU 126 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2a55 n HIS 127 N -0.69 0.34 0.03 -0.32 -0.00 -1.26 -4.78 115.22 108.55 2a55 n HIS 127 Ca 0.28 0.12 0.00 0.00 0.46 0.00 0.00 57.72 58.58 2a55 n HIS 127 Cb 1.01 -0.97 0.00 0.00 -0.12 0.00 0.00 29.99 29.91 2a55 n HIS 127 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2a55 n HIS 128 N -2.74 -0.17 -1.74 1.57 -0.00 -1.26 -5.08 115.22 105.79 2a55 n HIS 128 Ca -0.21 0.03 -0.31 0.00 -0.00 0.00 0.00 57.72 57.23 2a55 n HIS 128 Cb 0.99 0.07 0.04 0.00 -0.00 0.00 0.00 29.99 31.09 2a55 n HIS 128 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2a55 s HIS 129 N -2.00 3.29 0.39 1.57 3.76 -1.25 -4.99 115.29 116.07 2a55 s HIS 129 Ca 0.00 1.24 0.00 0.00 -0.15 0.00 0.00 55.06 56.15 2a55 s HIS 129 Cb 0.00 -2.91 0.00 0.00 1.11 0.00 0.00 32.58 30.78 2a55 s HIS 129 CO 0.00 -1.12 0.00 1.58 -0.85 0.00 0.00 174.74 174.35 2a55 n HIS 130 N -3.02 -3.69 -3.25 1.40 -0.00 -1.26 -4.50 115.22 100.90 2a55 n HIS 130 Ca 0.07 1.05 -0.40 0.00 0.46 0.00 0.00 57.72 58.90 2a55 n HIS 130 Cb 0.55 2.29 -0.07 0.00 -0.12 0.00 0.00 29.99 32.64 2a55 n HIS 130 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2a55 s HIS 131 N -2.00 3.31 0.00 1.57 2.46 -1.26 -5.13 115.29 114.24 2a55 s HIS 131 Ca 0.00 0.68 0.00 0.00 0.47 0.00 0.00 55.06 56.21 2a55 s HIS 131 Cb 0.00 -2.69 0.00 0.00 -0.13 0.00 0.00 32.58 29.76 2a55 s HIS 131 CO 0.00 -0.20 0.00 1.58 -2.47 0.00 0.00 174.74 173.65