#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a55 s ASN 1 N 0.00 5.71 0.00 3.17 0.02 -1.26 -4.61 114.94 117.97 2a55 s ASN 1 Ca 0.00 1.73 0.27 0.00 -1.02 0.00 0.00 52.86 53.84 2a55 s ASN 1 Cb 0.00 -2.52 0.84 0.00 0.02 0.00 0.00 41.25 39.60 2a55 s ASN 1 CO 0.00 -1.22 1.62 0.00 0.02 0.00 0.00 177.10 177.52 2a55 n GLY 3 N 1.34 0.85 3.55 0.00 0.00 -1.26 -4.22 105.19 105.45 2a55 n GLY 3 Ca 0.12 -1.72 -0.51 0.00 0.00 0.00 0.00 46.02 43.91 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 0.94 0.82 -1.56 1.61 -0.02 -1.19 -4.77 135.00 130.83 2a55 n PRO 4 Ca 0.00 0.29 -0.46 0.00 -2.02 0.00 0.00 63.50 61.31 2a55 n PRO 4 Cb 0.00 -1.78 -0.05 0.00 -0.02 0.00 0.00 33.50 31.66 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 1.79 1.74 -0.19 0.52 -0.02 -1.26 -4.96 135.00 132.63 2a55 n PRO 5 Ca 0.17 0.51 -0.18 0.00 -2.02 0.00 0.00 63.50 61.98 2a55 n PRO 5 Cb 0.20 -2.92 0.17 0.00 -0.02 0.00 0.00 33.50 30.93 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 8.31 -3.18 -3.64 0.52 -0.04 -1.26 -4.99 135.00 130.72 2a55 n PRO 6 Ca 0.32 -0.84 -0.36 0.00 -0.04 0.00 0.00 63.50 62.59 2a55 n PRO 6 Cb 0.36 -1.18 -0.07 0.00 -0.04 0.00 0.00 33.50 32.57 2a55 n PRO 6 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2a55 s THR 7 N -1.67 5.36 -0.34 0.52 2.01 -1.26 -5.07 115.64 115.19 2a55 s THR 7 Ca 0.39 0.37 -0.06 0.00 0.31 0.00 0.00 61.69 62.70 2a55 s THR 7 Cb -0.07 -3.55 0.04 0.00 0.01 0.00 0.00 72.50 68.93 2a55 s THR 7 CO 0.32 0.43 0.10 -0.76 -0.69 0.00 0.00 174.62 174.02 2a55 s LEU 8 N 0.30 4.28 0.00 4.42 1.02 -1.26 -4.93 118.68 122.52 2a55 s LEU 8 Ca 0.13 -1.11 0.12 0.00 0.02 0.00 0.00 54.13 53.28 2a55 s LEU 8 Cb -0.12 -1.87 0.71 0.00 0.02 0.00 0.00 46.19 44.93 2a55 s LEU 8 CO 0.01 -0.32 1.46 -1.54 0.02 0.00 0.00 176.35 175.98 2a55 n SER 9 N 4.81 0.06 -2.23 2.29 3.41 -1.26 -3.06 113.62 117.64 2a55 n SER 9 Ca -0.13 -1.63 -0.19 0.00 -0.26 0.00 0.00 58.87 56.66 2a55 n SER 9 Cb 0.45 -0.01 0.03 0.00 -0.26 0.00 0.00 64.21 64.42 2a55 n SER 9 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2a55 n PHE 10 N -0.65 2.44 -3.79 7.33 -1.74 -1.26 -5.04 117.46 114.75 2a55 n PHE 10 Ca 0.09 -2.25 0.00 0.00 -0.56 0.00 0.00 57.45 54.73 2a55 n PHE 10 Cb 0.05 -0.30 0.00 0.00 1.52 0.00 0.00 39.48 40.75 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2a55 n ALA 11 N -0.67 0.00 -3.60 1.98 0.00 -1.17 -4.52 120.51 112.53 2a55 n ALA 11 Ca 0.35 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.66 2a55 n ALA 11 Cb 0.92 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.29 2a55 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a55 s ALA 12 N -1.00 -1.69 0.53 0.00 0.00 -1.13 -4.75 121.76 113.71 2a55 s ALA 12 Ca 0.00 1.98 -0.22 0.00 0.00 0.00 0.00 51.96 53.72 2a55 s ALA 12 Cb 0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 2a55 s ALA 12 CO 0.00 -0.33 1.28 -2.14 0.00 0.00 0.00 175.76 174.57 2a55 s PRO 13 N 0.57 3.29 0.00 0.00 0.02 -1.26 -2.74 135.00 134.87 2a55 s PRO 13 Ca -0.02 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.04 2a55 s PRO 13 Cb -0.05 -2.25 0.00 0.00 0.02 0.00 0.00 34.50 32.22 2a55 s PRO 13 CO -0.02 -1.01 0.00 -1.33 -0.33 0.00 0.00 177.00 174.31 2a55 n MET 14 N -0.96 0.00 -3.24 5.54 2.81 -1.20 -4.91 117.12 115.16 2a55 n MET 14 Ca 0.10 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.81 2a55 n MET 14 Cb 0.47 -0.04 -0.07 0.00 -0.71 0.00 0.00 33.22 32.87 2a55 n MET 14 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2a55 s ASP 15 N 0.00 0.72 -0.30 7.83 -1.08 -1.20 -4.96 116.67 117.69 2a55 s ASP 15 Ca 0.00 -2.20 -0.08 0.00 -0.52 0.00 0.00 52.55 49.75 2a55 s ASP 15 Cb 0.00 0.46 0.19 0.00 -1.46 0.00 0.00 42.92 42.11 2a55 s ASP 15 CO 0.00 -0.18 0.95 -0.51 0.52 0.00 0.00 175.17 175.95 2a55 s ILE 16 N 0.77 -0.40 -0.08 4.11 2.07 -1.26 -3.70 121.20 122.71 2a55 s ILE 16 Ca 0.26 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 59.19 2a55 s ILE 16 Cb -0.05 -0.40 -0.09 0.00 0.13 0.00 0.00 42.46 42.05 2a55 s ILE 16 CO -0.09 0.00 2.01 0.35 -1.91 0.00 0.00 174.94 175.30 2a55 n THR 17 N 5.15 0.59 -0.46 4.00 -2.24 -1.26 -4.80 114.28 115.25 2a55 n THR 17 Ca 0.09 -0.20 -0.01 0.00 -2.27 0.00 0.00 64.05 61.65 2a55 n THR 17 Cb 0.57 -2.19 -0.02 0.00 -2.10 0.00 0.00 70.33 66.59 2a55 n THR 17 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2a55 n LEU 18 N 8.27 4.43 -0.12 3.22 7.99 -1.26 -3.37 117.00 136.16 2a55 n LEU 18 Ca 0.24 -2.09 0.06 0.00 -0.01 0.00 0.00 56.01 54.22 2a55 n LEU 18 Cb 0.37 -0.97 -0.04 0.00 -0.11 0.00 0.00 43.42 42.67 2a55 n LEU 18 CO 0.70 0.90 0.08 0.35 -1.51 0.00 0.00 177.39 177.90 2a55 n THR 19 N 1.70 0.00 -4.45 -5.08 -2.24 -1.26 -4.95 114.28 98.00 2a55 n THR 19 Ca 0.04 -0.27 -0.23 0.00 -2.27 0.00 0.00 64.05 61.32 2a55 n THR 19 Cb 0.46 1.06 -0.16 0.00 -2.10 0.00 0.00 70.33 69.59 2a55 n THR 19 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2a55 s GLU 20 N -1.94 1.34 0.00 -0.78 0.41 -1.22 -5.01 118.70 111.51 2a55 s GLU 20 Ca 0.07 -0.32 0.26 0.00 -0.41 0.00 0.00 54.97 54.57 2a55 s GLU 20 Cb 0.10 -1.17 0.62 0.00 -1.78 0.00 0.00 34.13 31.90 2a55 s GLU 20 CO 0.43 0.03 1.48 2.41 -0.49 0.00 0.00 175.26 179.12 2a55 n THR 21 N 3.74 0.00 -4.34 3.63 -1.04 -1.26 -4.89 114.28 110.13 2a55 n THR 21 Ca -0.23 -0.10 -0.23 0.00 -2.04 0.00 0.00 64.05 61.46 2a55 n THR 21 Cb 0.52 0.42 -0.11 0.00 -1.82 0.00 0.00 70.33 69.34 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 -2.64 1.29 -0.18 -2.82 0.52 -1.26 -3.18 118.95 110.68 2a55 s ARG 22 Ca 0.20 -1.40 -0.04 0.00 -0.52 0.00 0.00 55.73 53.97 2a55 s ARG 22 Cb 0.19 -1.40 0.09 0.00 0.52 0.00 0.00 34.95 34.35 2a55 s ARG 22 CO 0.58 0.29 0.28 -0.06 0.02 0.00 0.00 175.30 176.41 2a55 s PHE 23 N -1.92 -0.48 1.13 -0.53 0.40 -1.26 -5.05 117.98 110.26 2a55 s PHE 23 Ca 0.16 0.74 -0.18 0.00 -0.60 0.00 0.00 56.93 57.05 2a55 s PHE 23 Cb -0.06 -0.11 0.16 0.00 0.51 0.00 0.00 43.02 43.52 2a55 s PHE 23 CO 0.07 -0.51 0.22 0.36 0.70 0.00 0.00 175.22 176.05 2a55 n LYS 24 N 5.35 -2.20 0.00 0.44 2.85 -1.26 -4.07 118.16 119.27 2a55 n LYS 24 Ca -0.06 -0.64 0.07 0.00 -1.05 0.00 0.00 58.31 56.63 2a55 n LYS 24 Cb 0.50 -1.67 0.31 0.00 -0.65 0.00 0.00 35.03 33.52 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 -4.60 0.92 -1.05 0.58 -2.24 -1.26 -1.91 114.28 104.72 2a55 n THR 25 Ca 0.03 0.23 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 2a55 n THR 25 Cb 0.54 -1.00 0.31 0.00 -2.10 0.00 0.00 70.33 68.08 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 -0.09 3.75 3.95 3.38 0.00 -1.26 -4.04 105.19 110.88 2a55 n GLY 26 Ca 0.04 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.94 5.28 -0.26 2.61 -1.32 -0.80 -5.02 115.64 113.19 2a55 s THR 27 Ca 0.51 -0.80 -0.11 0.00 -1.21 0.00 0.00 61.69 60.09 2a55 s THR 27 Cb 0.41 -3.77 0.10 0.00 -1.51 0.00 0.00 72.50 67.73 2a55 s THR 27 CO 0.12 -0.17 0.59 -0.89 -2.21 0.00 0.00 174.62 172.05 2a55 s THR 28 N -1.82 -0.63 -0.23 5.08 2.01 -1.25 -3.42 115.64 115.37 2a55 s THR 28 Ca 0.34 0.04 -0.09 0.00 0.31 0.00 0.00 61.69 62.30 2a55 s THR 28 Cb -0.10 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 2a55 s THR 28 CO 0.29 0.02 0.11 -0.76 -0.69 0.00 0.00 174.62 173.58 2a55 s LEU 29 N 2.44 3.78 -0.09 4.42 1.02 -0.93 -4.90 118.68 124.42 2a55 s LEU 29 Ca -0.06 -0.03 -0.30 0.00 0.02 0.00 0.00 54.13 53.76 2a55 s LEU 29 Cb -0.10 -2.00 -0.03 0.00 0.02 0.00 0.00 46.19 44.07 2a55 s LEU 29 CO -0.17 0.04 1.34 -0.54 0.02 0.00 0.00 176.35 177.04 2a55 s LYS 30 N 1.17 4.26 0.03 1.70 1.02 -1.24 -2.88 119.74 123.78 2a55 s LYS 30 Ca 0.06 1.81 0.07 0.00 0.02 0.00 0.00 55.97 57.92 2a55 s LYS 30 Cb -0.14 -3.72 -0.03 0.00 -0.52 0.00 0.00 37.83 33.42 2a55 s LYS 30 CO 0.04 -0.65 -0.20 0.71 -0.92 0.00 0.00 175.35 174.33 2a55 s TYR 31 N 3.12 2.51 0.56 3.18 1.51 -1.21 -3.23 117.35 123.79 2a55 s TYR 31 Ca 0.60 -0.29 0.04 0.00 -1.01 0.00 0.00 57.07 56.41 2a55 s TYR 31 Cb -0.26 -1.47 0.04 0.00 -0.11 0.00 0.00 41.96 40.15 2a55 s TYR 31 CO 0.21 0.20 0.31 -0.08 -1.11 0.00 0.00 175.55 175.08 2a55 s THR 32 N -0.85 1.39 -0.19 -0.71 -1.32 -1.11 -4.70 115.64 108.15 2a55 s THR 32 Ca 0.13 -1.62 -0.03 0.00 -1.21 0.00 0.00 61.69 58.96 2a55 s THR 32 Cb -0.10 -2.01 0.06 0.00 -1.51 0.00 0.00 72.50 68.94 2a55 s THR 32 CO 0.04 0.00 0.04 0.00 -2.21 0.00 0.00 174.62 172.49 2a55 n LEU 34 N 5.08 -1.79 -4.53 0.00 4.77 -1.26 -4.60 117.00 114.67 2a55 n LEU 34 Ca -0.09 0.86 -0.62 0.00 -0.03 0.00 0.00 56.01 56.13 2a55 n LEU 34 Cb 0.47 -0.81 -0.10 0.00 -2.33 0.00 0.00 43.42 40.65 2a55 n LEU 34 CO 0.13 -3.15 1.45 -0.81 -1.33 0.00 0.00 177.39 173.67 2a55 n PRO 35 N 1.03 0.22 0.00 3.23 -0.04 -1.26 -1.14 135.00 137.04 2a55 n PRO 35 Ca 0.13 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2a55 n PRO 35 Cb 0.28 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 2a55 n PRO 35 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a55 n GLY 36 N 5.60 2.75 0.11 0.55 0.00 -1.26 -4.94 105.19 108.00 2a55 n GLY 36 Ca 0.41 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.45 2a55 n GLY 36 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2a55 n TYR 37 N -0.40 0.00 -2.50 1.61 4.01 -0.29 -4.41 117.16 115.19 2a55 n TYR 37 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 2a55 n TYR 37 Cb 0.00 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 38.99 2a55 n TYR 37 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 2a55 n VAL 38 N -1.27 0.00 -3.57 -0.72 0.24 -1.26 0.16 118.33 111.91 2a55 n VAL 38 Ca 0.02 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.20 2a55 n VAL 38 Cb 0.32 -0.23 -0.05 0.00 -1.47 0.00 0.00 33.84 32.41 2a55 n VAL 38 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2a55 s ARG 39 N -1.17 0.67 0.00 7.34 1.70 -1.26 -4.17 118.95 122.06 2a55 s ARG 39 Ca 0.00 0.18 0.00 0.00 -0.47 0.00 0.00 55.73 55.44 2a55 s ARG 39 Cb 0.00 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 2a55 s ARG 39 CO 0.00 -0.21 0.02 0.45 -1.08 0.00 0.00 175.30 174.48 2a55 n SER 40 N 0.82 0.04 0.00 -2.89 2.88 -0.60 -4.85 113.62 109.02 2a55 n SER 40 Ca -0.12 -0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 2a55 n SER 40 Cb 0.58 0.31 0.00 0.00 -0.75 0.00 0.00 64.21 64.35 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 -0.31 0.00 0.00 0.66 8.25 -1.10 -4.99 115.22 117.72 2a55 n HIS 41 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2a55 n HIS 41 Cb 0.02 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 -0.54 0.00 -4.47 0.41 2.88 -1.19 -4.82 113.62 105.88 2a55 n SER 42 Ca 0.00 0.00 -0.55 0.00 -1.33 0.00 0.00 58.87 56.99 2a55 n SER 42 Cb 0.04 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.44 2a55 n SER 42 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2a55 n THR 43 N 0.00 0.73 -3.66 2.46 -1.04 -1.26 -4.60 114.28 106.91 2a55 n THR 43 Ca 0.00 -0.18 -0.29 0.00 -2.04 0.00 0.00 64.05 61.54 2a55 n THR 43 Cb 0.00 -0.06 -0.15 0.00 -1.82 0.00 0.00 70.33 68.30 2a55 n THR 43 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2a55 s GLN 44 N -0.35 0.50 -0.16 -2.82 1.11 -1.26 -3.81 119.66 112.87 2a55 s GLN 44 Ca 0.81 -0.80 -0.13 0.00 0.01 0.00 0.00 55.36 55.25 2a55 s GLN 44 Cb -1.13 -1.68 0.05 0.00 -1.01 0.00 0.00 33.01 29.24 2a55 s GLN 44 CO 0.56 -0.97 0.41 0.95 0.01 0.00 0.00 175.29 176.25 2a55 s THR 45 N 1.82 -0.01 -0.41 -0.19 -4.23 -1.26 -3.31 115.64 108.06 2a55 s THR 45 Ca 0.09 0.03 -0.04 0.00 -1.18 0.00 0.00 61.69 60.58 2a55 s THR 45 Cb -0.17 -0.58 0.10 0.00 1.34 0.00 0.00 72.50 73.19 2a55 s THR 45 CO -0.28 0.01 0.21 -0.76 -0.54 0.00 0.00 174.62 173.26 2a55 s LEU 46 N 0.58 5.16 0.09 4.79 1.02 -1.14 -4.65 118.68 124.52 2a55 s LEU 46 Ca -0.03 -1.88 0.05 0.00 0.02 0.00 0.00 54.13 52.28 2a55 s LEU 46 Cb -0.05 -1.85 -0.04 0.00 0.02 0.00 0.00 46.19 44.27 2a55 s LEU 46 CO -0.03 -0.53 -0.00 -0.89 0.02 0.00 0.00 176.35 174.91 2a55 s THR 47 N 1.21 4.02 -0.29 5.49 2.01 -1.25 -2.19 115.64 124.64 2a55 s THR 47 Ca 0.06 -0.97 -0.27 0.00 0.31 0.00 0.00 61.69 60.82 2a55 s THR 47 Cb -0.23 -2.91 0.01 0.00 0.01 0.00 0.00 72.50 69.38 2a55 s THR 47 CO -0.03 0.13 0.96 0.00 -0.69 0.00 0.00 174.62 175.00 2a55 s ASN 49 N 1.54 4.87 -1.33 0.00 4.22 -1.20 -4.29 114.94 118.74 2a55 s ASN 49 Ca 0.40 -0.52 -0.07 0.00 -2.14 0.00 0.00 52.86 50.54 2a55 s ASN 49 Cb -0.13 -0.05 0.04 0.00 1.28 0.00 0.00 41.25 42.39 2a55 s ASN 49 CO 0.12 -1.48 2.62 -0.24 -2.04 0.00 0.00 177.10 176.08 2a55 n SER 50 N -2.46 8.12 0.00 3.54 2.88 -1.26 -3.24 113.62 121.20 2a55 n SER 50 Ca 0.14 -2.96 0.00 0.00 -1.33 0.00 0.00 58.87 54.72 2a55 n SER 50 Cb 0.61 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 2a55 n SER 50 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2a55 n ASP 51 N 2.25 0.00 -1.22 -3.46 9.92 -1.26 -4.99 116.55 117.79 2a55 n ASP 51 Ca 0.66 -1.00 -0.16 0.00 -0.53 0.00 0.00 54.79 53.76 2a55 n ASP 51 Cb 0.27 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.69 2a55 n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2a55 n GLY 52 N 0.00 1.58 3.20 0.44 0.00 -1.20 -4.96 105.19 104.25 2a55 n GLY 52 Ca 0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 2a55 n GLY 52 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2a55 s GLU 53 N -3.32 0.92 -0.44 1.61 -1.05 -1.26 -4.41 118.70 110.75 2a55 s GLU 53 Ca 0.00 -1.19 -0.25 0.00 -0.15 0.00 0.00 54.97 53.38 2a55 s GLU 53 Cb 0.00 -0.68 0.02 0.00 -0.44 0.00 0.00 34.13 33.03 2a55 s GLU 53 CO 0.00 0.12 0.90 -1.58 0.95 0.00 0.00 175.26 175.64 2a55 s TRP 54 N -2.33 2.97 0.06 4.83 0.52 -1.26 -3.26 118.94 120.47 2a55 s TRP 54 Ca 0.07 0.42 -0.06 0.00 0.02 0.00 0.00 56.10 56.55 2a55 s TRP 54 Cb -0.04 -3.84 -0.05 0.00 -1.15 0.00 0.00 33.47 28.39 2a55 s TRP 54 CO 0.01 -1.02 0.31 0.08 0.02 0.00 0.00 176.95 176.36 2a55 s VAL 55 N 3.60 5.24 0.00 4.03 1.01 -1.20 -4.97 120.40 128.11 2a55 s VAL 55 Ca 0.36 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.48 2a55 s VAL 55 Cb -0.11 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2a55 s VAL 55 CO 0.24 0.25 0.00 0.00 0.00 0.00 0.00 175.10 175.59 2a55 n TYR 56 N 0.76 0.00 -2.39 5.22 0.18 -1.26 -3.86 117.16 115.80 2a55 n TYR 56 Ca -0.08 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.46 2a55 n TYR 56 Cb 0.52 0.00 0.05 0.00 -0.38 0.00 0.00 39.34 39.54 2a55 n TYR 56 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 2a55 s ASN 57 N 0.00 5.06 -1.20 9.48 0.01 -1.26 -5.00 114.94 122.03 2a55 s ASN 57 Ca 0.00 0.31 -0.12 0.00 -0.71 0.00 0.00 52.86 52.34 2a55 s ASN 57 Cb 0.00 -1.08 0.20 0.00 0.41 0.00 0.00 41.25 40.78 2a55 s ASN 57 CO 0.00 -1.38 1.43 0.41 -1.51 0.00 0.00 177.10 176.05 2a55 n THR 58 N -2.67 4.37 0.00 1.60 -1.04 -1.26 -4.91 114.28 110.37 2a55 n THR 58 Ca 0.08 -4.86 0.00 0.00 -2.04 0.00 0.00 64.05 57.22 2a55 n THR 58 Cb 0.60 -2.46 0.00 0.00 -1.82 0.00 0.00 70.33 66.65 2a55 n THR 58 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 2a55 n PHE 59 N 4.69 0.00 -4.21 -1.42 -1.74 -1.25 -3.00 117.46 110.53 2a55 n PHE 59 Ca 0.34 0.00 -0.26 0.00 -0.56 0.00 0.00 57.45 56.97 2a55 n PHE 59 Cb 0.41 -0.06 -0.08 0.00 1.52 0.00 0.00 39.48 41.27 2a55 n PHE 59 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2a55 n ILE 61 N -0.17 0.00 -1.93 0.00 -5.35 -1.10 -4.86 119.36 105.95 2a55 n ILE 61 Ca -0.09 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 2a55 n ILE 61 Cb 0.55 0.52 0.00 0.00 -1.74 0.00 0.00 39.64 38.97 2a55 n ILE 61 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2a55 n TYR 62 N -0.56 -4.36 -3.09 4.28 4.19 0.42 -5.00 117.16 113.04 2a55 n TYR 62 Ca 0.00 2.62 0.04 0.00 3.31 0.00 0.00 57.90 63.87 2a55 n TYR 62 Cb 0.00 -3.52 -0.00 0.00 0.49 0.00 0.00 39.34 36.31 2a55 n TYR 62 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 2a55 s LYS 63 N -0.91 0.39 0.04 2.98 -2.85 -1.26 -5.02 119.74 113.11 2a55 s LYS 63 Ca 0.00 0.16 -0.00 0.00 -1.00 0.00 0.00 55.97 55.13 2a55 s LYS 63 Cb 0.00 0.12 0.01 0.00 -2.06 0.00 0.00 37.83 35.90 2a55 s LYS 63 CO 0.00 -0.66 0.06 2.89 0.10 0.00 0.00 175.35 177.74 2a55 n ARG 64 N 4.83 0.48 -4.39 1.78 0.00 -1.26 -3.74 116.66 114.36 2a55 n ARG 64 Ca 0.08 -0.15 -0.29 0.00 -0.00 0.00 0.00 57.85 57.48 2a55 n ARG 64 Cb 0.57 -0.04 -0.12 0.00 -0.00 0.00 0.00 32.46 32.87 2a55 n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2a55 n ARG 66 N 0.93 2.39 -1.63 0.00 3.00 -1.26 -4.81 116.66 115.27 2a55 n ARG 66 Ca -0.17 0.84 -0.55 0.00 -0.00 0.00 0.00 57.85 57.97 2a55 n ARG 66 Cb 0.53 -2.50 -0.07 0.00 0.00 0.00 0.00 32.46 30.42 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 0.59 1.66 -0.35 -0.14 -0.00 -1.26 -4.80 115.22 110.93 2a55 n HIS 67 Ca 0.04 0.64 0.27 0.00 -0.00 0.00 0.00 57.72 58.67 2a55 n HIS 67 Cb 0.37 -2.36 0.52 0.00 -0.00 0.00 0.00 29.99 28.52 2a55 n HIS 67 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2a55 h PRO 68 N 5.44 0.24 0.00 1.57 0.13 -1.97 -3.47 132.00 133.95 2a55 h PRO 68 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2a55 h PRO 68 Cb 1.34 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2a55 h PRO 68 CO 0.84 0.16 0.00 0.41 -0.23 0.00 0.00 178.00 179.18 2a55 n GLY 69 N -1.35 -0.69 3.72 1.56 0.00 -1.26 -4.32 105.19 102.85 2a55 n GLY 69 Ca 0.33 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.93 4.62 -0.73 1.61 2.12 -1.26 -4.86 118.70 119.26 2a55 s GLU 70 Ca 0.00 1.38 -0.18 0.00 0.36 0.00 0.00 54.97 56.53 2a55 s GLU 70 Cb 0.00 -3.41 0.13 0.00 0.26 0.00 0.00 34.13 31.11 2a55 s GLU 70 CO 0.00 0.11 0.86 -1.17 -0.54 0.00 0.00 175.26 174.52 2a55 s LEU 71 N 0.41 5.43 0.06 2.70 0.20 -1.26 -4.99 118.68 121.23 2a55 s LEU 71 Ca 0.48 -1.76 -0.30 0.00 0.69 0.00 0.00 54.13 53.23 2a55 s LEU 71 Cb -0.22 -2.32 -0.09 0.00 -0.43 0.00 0.00 46.19 43.13 2a55 s LEU 71 CO 0.28 -1.05 1.80 -0.60 -0.29 0.00 0.00 176.35 176.49 2a55 s ARG 72 N 2.41 4.16 -0.79 1.98 3.52 -1.26 -0.64 118.95 128.32 2a55 s ARG 72 Ca 0.19 2.47 -0.01 0.00 -0.13 0.00 0.00 55.73 58.25 2a55 s ARG 72 Cb -0.16 -3.81 0.00 0.00 -1.56 0.00 0.00 34.95 29.42 2a55 s ARG 72 CO -0.00 -0.84 0.67 0.09 -0.81 0.00 0.00 175.30 174.40 2a55 n ASN 73 N 6.38 -2.57 -3.70 -2.12 5.03 -1.26 -4.69 115.26 112.33 2a55 n ASN 73 Ca 0.18 -0.39 0.01 0.00 0.87 0.00 0.00 54.58 55.25 2a55 n ASN 73 Cb 0.40 -3.48 0.01 0.00 -1.02 0.00 0.00 39.78 35.70 2a55 n ASN 73 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2a55 s GLY 74 N -3.75 -0.08 -0.43 7.41 0.00 0.19 -2.95 107.32 107.71 2a55 s GLY 74 Ca 0.07 -0.03 0.05 0.00 0.00 0.00 0.00 44.72 44.81 2a55 s GLY 74 CO 0.47 4.54 0.44 1.62 0.00 0.00 0.00 173.10 180.17 2a55 s GLN 75 N -2.08 0.90 -0.17 2.90 0.74 -0.19 -4.60 119.66 117.16 2a55 s GLN 75 Ca 0.27 -1.67 -0.38 0.00 0.05 0.00 0.00 55.36 53.63 2a55 s GLN 75 Cb -0.01 -0.98 -0.14 0.00 1.10 0.00 0.00 33.01 32.98 2a55 s GLN 75 CO 0.01 -1.35 1.75 1.55 -0.55 0.00 0.00 175.29 176.70 2a55 n VAL 76 N 3.07 0.35 -1.79 1.34 3.14 -1.26 -3.58 118.33 119.61 2a55 n VAL 76 Ca 0.24 -0.06 -0.35 0.00 -2.96 0.00 0.00 64.34 61.21 2a55 n VAL 76 Cb 0.49 -1.41 -0.03 0.00 -1.06 0.00 0.00 33.84 31.83 2a55 n VAL 76 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2a55 s GLU 77 N 3.34 2.31 0.03 1.45 2.12 0.79 -4.93 118.70 123.82 2a55 s GLU 77 Ca 0.95 0.90 0.02 0.00 0.36 0.00 0.00 54.97 57.19 2a55 s GLU 77 Cb -0.92 -4.55 -0.02 0.00 0.26 0.00 0.00 34.13 28.90 2a55 s GLU 77 CO 0.59 -3.15 -0.06 0.42 -0.54 0.00 0.00 175.26 172.52 2a55 s ILE 78 N 10.98 0.41 -0.25 -3.70 -1.09 -1.26 -4.24 121.20 122.04 2a55 s ILE 78 Ca 0.83 -0.96 0.01 0.00 -2.23 0.00 0.00 60.65 58.31 2a55 s ILE 78 Cb -0.14 -0.49 0.06 0.00 -1.58 0.00 0.00 42.46 40.31 2a55 s ILE 78 CO 0.21 -0.37 0.96 2.29 -1.23 0.00 0.00 174.94 176.80 2a55 n LYS 79 N 1.63 0.19 0.00 2.79 0.00 -1.26 -4.89 118.16 116.62 2a55 n LYS 79 Ca -0.22 -0.58 0.00 0.00 -0.00 0.00 0.00 58.31 57.51 2a55 n LYS 79 Cb 0.55 0.01 0.00 0.00 -0.00 0.00 0.00 35.03 35.59 2a55 n LYS 79 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 2a55 n THR 80 N -0.45 0.00 0.31 0.58 5.66 -1.26 -4.83 114.28 114.30 2a55 n THR 80 Ca -0.22 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 60.86 2a55 n THR 80 Cb 0.63 0.00 0.42 0.00 -1.55 0.00 0.00 70.33 69.83 2a55 n THR 80 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2a55 h ASP 81 N 0.00 0.00 0.00 1.09 1.82 -1.93 -2.35 116.42 115.06 2a55 h ASP 81 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2a55 h ASP 81 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2a55 h ASP 81 CO 0.00 0.00 0.00 -0.11 -1.61 0.00 0.00 179.24 177.52 2a55 n LEU 82 N -2.61 0.23 -4.71 2.28 7.94 -1.26 -4.65 117.00 114.22 2a55 n LEU 82 Ca -0.01 -0.11 -0.42 0.00 -1.11 0.00 0.00 56.01 54.36 2a55 n LEU 82 Cb 0.64 -0.10 -0.03 0.00 0.53 0.00 0.00 43.42 44.45 2a55 n LEU 82 CO 0.07 0.05 0.69 -0.44 -1.11 0.00 0.00 177.39 176.65 2a55 s SER 83 N -0.70 7.35 0.19 1.96 0.01 -0.89 -3.16 113.70 118.46 2a55 s SER 83 Ca 0.00 1.63 -0.28 0.00 1.31 0.00 0.00 55.95 58.61 2a55 s SER 83 Cb 0.00 -2.56 -0.17 0.00 0.21 0.00 0.00 66.02 63.50 2a55 s SER 83 CO 0.00 -0.28 0.54 0.33 0.41 0.00 0.00 173.24 174.24 2a55 n PHE 84 N 4.03 -0.43 -1.27 2.43 7.35 -1.25 -2.25 117.46 126.07 2a55 n PHE 84 Ca 0.06 0.97 0.00 0.00 -0.76 0.00 0.00 57.45 57.72 2a55 n PHE 84 Cb 0.51 -1.95 0.00 0.00 0.35 0.00 0.00 39.48 38.39 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 1.96 0.61 3.29 7.13 0.00 -0.92 -4.75 105.19 112.52 2a55 n GLY 85 Ca 0.18 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 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 1.91 -0.08 1.61 0.01 -0.96 -4.93 113.70 108.47 2a55 s SER 86 Ca 0.00 -1.09 0.03 0.00 1.31 0.00 0.00 55.95 56.19 2a55 s SER 86 Cb 0.00 -0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.19 2a55 s SER 86 CO 0.00 -0.38 -0.15 -1.58 0.41 0.00 0.00 173.24 171.54 2a55 s GLN 87 N -3.78 2.82 -0.26 12.44 -0.44 -1.26 -2.17 119.66 127.01 2a55 s GLN 87 Ca 0.22 -0.71 0.01 0.00 -2.50 0.00 0.00 55.36 52.38 2a55 s GLN 87 Cb 0.03 -2.45 0.07 0.00 -1.64 0.00 0.00 33.01 29.03 2a55 s GLN 87 CO 0.04 0.46 -0.03 0.96 0.50 0.00 0.00 175.29 177.22 2a55 s ILE 88 N -0.30 1.61 0.29 -2.34 -4.36 -0.21 -4.90 121.20 110.98 2a55 s ILE 88 Ca 0.02 -1.40 -0.05 0.00 -0.26 0.00 0.00 60.65 58.96 2a55 s ILE 88 Cb -0.13 -1.93 0.07 0.00 1.25 0.00 0.00 42.46 41.73 2a55 s ILE 88 CO 0.03 -0.21 0.29 -0.62 0.24 0.00 0.00 174.94 174.67 2a55 n GLU 89 N 4.62 -1.23 -3.34 0.37 1.02 -1.25 -2.91 120.64 117.92 2a55 n GLU 89 Ca -0.09 -0.46 -0.11 0.00 -0.02 0.00 0.00 57.16 56.48 2a55 n GLU 89 Cb 0.43 -0.39 -0.03 0.00 -0.02 0.00 0.00 31.44 31.43 2a55 n GLU 89 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2a55 n PHE 90 N -2.93 -0.97 -3.28 -0.32 3.72 -1.18 -0.15 117.46 112.35 2a55 n PHE 90 Ca 0.04 -1.73 0.03 0.00 -0.05 0.00 0.00 57.45 55.74 2a55 n PHE 90 Cb 0.15 0.33 -0.02 0.00 -0.94 0.00 0.00 39.48 39.00 2a55 n PHE 90 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2a55 s SER 91 N -2.54 -1.22 -0.26 4.37 1.04 -1.23 -4.82 113.70 109.03 2a55 s SER 91 Ca 0.22 1.00 -0.20 0.00 0.48 0.00 0.00 55.95 57.46 2a55 s SER 91 Cb -0.00 2.12 -0.02 0.00 0.10 0.00 0.00 66.02 68.22 2a55 s SER 91 CO 0.16 -0.23 0.60 0.00 0.98 0.00 0.00 173.24 174.75 2a55 n SER 93 N 5.67 -2.93 -4.44 0.00 7.64 -1.15 -4.49 113.62 113.91 2a55 n SER 93 Ca -0.01 -0.03 -0.36 0.00 1.01 0.00 0.00 58.87 59.47 2a55 n SER 93 Cb 0.49 -0.66 0.06 0.00 -1.01 0.00 0.00 64.21 63.09 2a55 n SER 93 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2a55 n GLU 94 N 1.00 0.29 0.00 1.43 2.13 -1.26 -1.43 120.64 122.81 2a55 n GLU 94 Ca -0.01 0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.94 2a55 n GLU 94 Cb 0.70 -1.74 0.00 0.00 0.27 0.00 0.00 31.44 30.67 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 1.77 1.40 4.01 8.31 0.00 -1.26 -4.89 105.19 114.53 2a55 n GLY 95 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.02 2.05 0.12 1.61 0.40 -0.51 -0.68 117.98 120.94 2a55 s PHE 96 Ca 0.00 -0.42 -0.15 0.00 -0.60 0.00 0.00 56.93 55.75 2a55 s PHE 96 Cb 0.00 -2.52 0.03 0.00 0.51 0.00 0.00 43.02 41.05 2a55 s PHE 96 CO 0.00 -1.04 0.38 -0.59 0.70 0.00 0.00 175.22 174.67 2a55 s PHE 97 N -2.71 -0.17 0.14 0.36 -0.71 -1.06 -4.71 117.98 109.13 2a55 s PHE 97 Ca 0.60 -0.15 -0.23 0.00 -1.04 0.00 0.00 56.93 56.11 2a55 s PHE 97 Cb -0.07 0.22 -0.08 0.00 -1.21 0.00 0.00 43.02 41.88 2a55 s PHE 97 CO 0.39 -0.68 0.70 -1.17 -1.34 0.00 0.00 175.22 173.12 2a55 s LEU 98 N -2.79 4.56 -0.29 -1.99 0.20 -1.26 -3.63 118.68 113.48 2a55 s LEU 98 Ca 0.03 1.50 -0.01 0.00 0.69 0.00 0.00 54.13 56.34 2a55 s LEU 98 Cb 0.02 -3.18 0.18 0.00 -0.43 0.00 0.00 46.19 42.78 2a55 s LEU 98 CO -0.12 0.22 0.54 -0.63 -0.29 0.00 0.00 176.35 176.08 2a55 s ILE 99 N -1.16 -0.90 0.00 6.68 1.01 -1.12 -4.97 121.20 120.75 2a55 s ILE 99 Ca 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.96 2a55 s ILE 99 Cb -0.21 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.30 2a55 s ILE 99 CO 0.23 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.75 2a55 n GLY 100 N 5.41 0.50 0.00 6.18 0.00 -1.26 -0.48 105.19 115.54 2a55 n GLY 100 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2a55 n GLY 100 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2a55 n SER 101 N 0.00 0.00 0.14 1.61 2.88 -1.26 -5.02 113.62 111.97 2a55 n SER 101 Ca 0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 2a55 n SER 101 Cb 0.00 0.00 0.50 0.00 -0.75 0.00 0.00 64.21 63.96 2a55 n SER 101 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2a55 n THR 102 N 0.00 1.12 -4.31 2.46 -2.24 -1.26 -4.56 114.28 105.48 2a55 n THR 102 Ca 0.00 0.63 -0.27 0.00 -2.27 0.00 0.00 64.05 62.14 2a55 n THR 102 Cb 0.00 -1.61 -0.10 0.00 -2.10 0.00 0.00 70.33 66.52 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 -3.44 3.06 -0.17 4.28 -4.23 -1.26 -3.12 115.64 110.76 2a55 s THR 103 Ca -0.01 -1.74 -0.04 0.00 -1.18 0.00 0.00 61.69 58.72 2a55 s THR 103 Cb 0.06 -2.52 0.09 0.00 1.34 0.00 0.00 72.50 71.47 2a55 s THR 103 CO 0.21 -0.13 0.28 -0.44 -0.54 0.00 0.00 174.62 174.00 2a55 s SER 104 N -2.85 0.61 0.07 3.99 0.01 -1.15 -4.93 113.70 109.46 2a55 s SER 104 Ca 0.25 0.31 0.01 0.00 1.31 0.00 0.00 55.95 57.82 2a55 s SER 104 Cb -0.08 0.70 -0.04 0.00 0.21 0.00 0.00 66.02 66.81 2a55 s SER 104 CO 0.15 -0.27 0.20 -0.13 0.41 0.00 0.00 173.24 173.59 2a55 s ARG 105 N 2.42 3.36 -0.31 12.44 0.52 -1.26 -1.05 118.95 135.08 2a55 s ARG 105 Ca 0.05 -0.48 -0.11 0.00 -0.52 0.00 0.00 55.73 54.66 2a55 s ARG 105 Cb -0.14 -2.99 -0.03 0.00 0.52 0.00 0.00 34.95 32.31 2a55 s ARG 105 CO -0.11 0.60 0.20 0.00 0.02 0.00 0.00 175.30 176.01 2a55 n GLU 107 N 5.06 0.81 -4.09 0.00 4.07 -0.48 -2.16 120.64 123.84 2a55 n GLU 107 Ca -0.14 -3.53 -0.19 0.00 -0.06 0.00 0.00 57.16 53.25 2a55 n GLU 107 Cb 0.51 0.89 -0.16 0.00 -0.06 0.00 0.00 31.44 32.61 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 -2.75 0.40 -0.03 6.31 1.01 -1.26 0.91 120.40 124.99 2a55 s VAL 108 Ca 0.03 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.00 2a55 s VAL 108 Cb -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 2a55 s VAL 108 CO 0.02 0.19 -0.19 -1.10 0.00 0.00 0.00 175.10 174.02 2a55 s GLN 109 N 0.85 1.74 0.76 2.72 -0.21 -1.26 -4.66 119.66 119.60 2a55 s GLN 109 Ca -0.10 -0.67 0.00 0.00 0.02 0.00 0.00 55.36 54.61 2a55 s GLN 109 Cb -0.13 -1.58 0.00 0.00 1.00 0.00 0.00 33.01 32.30 2a55 s GLN 109 CO -0.00 0.33 0.00 -0.25 -2.12 0.00 0.00 175.29 173.25 2a55 n ASP 110 N 2.89 0.00 -0.09 5.90 9.92 -1.26 -2.29 116.55 131.62 2a55 n ASP 110 Ca -0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.09 2a55 n ASP 110 Cb 0.53 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 2a55 n ASP 110 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2a55 n ARG 111 N 0.00 0.00 -0.38 -1.24 1.85 -1.26 -4.97 116.66 110.66 2a55 n ARG 111 Ca 0.00 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 56.92 2a55 n ARG 111 Cb 0.00 0.00 0.13 0.00 -1.05 0.00 0.00 32.46 31.54 2a55 n ARG 111 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2a55 n GLY 112 N 0.00 4.06 1.37 2.89 0.00 -0.97 -5.10 105.19 107.43 2a55 n GLY 112 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2a55 n GLY 112 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2a55 n VAL 113 N -1.00 -2.78 -4.49 1.61 3.14 -1.24 -4.86 118.33 108.70 2a55 n VAL 113 Ca 0.14 1.28 -0.29 0.00 -2.96 0.00 0.00 64.34 62.50 2a55 n VAL 113 Cb 0.70 -1.77 -0.13 0.00 -1.06 0.00 0.00 33.84 31.58 2a55 n VAL 113 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2a55 s GLY 114 N -3.34 1.58 -0.17 7.55 0.00 0.26 -4.53 107.32 108.67 2a55 s GLY 114 Ca 0.00 -1.38 -0.11 0.00 0.00 0.00 0.00 44.72 43.23 2a55 s GLY 114 CO 0.00 -1.33 0.20 0.86 0.00 0.00 0.00 173.10 172.83 2a55 s TRP 115 N -1.02 3.46 0.08 1.90 -0.00 -1.26 -1.38 118.94 120.71 2a55 s TRP 115 Ca 0.15 0.47 -0.19 0.00 -0.00 0.00 0.00 56.10 56.52 2a55 s TRP 115 Cb -0.10 -2.21 -0.09 0.00 -0.00 0.00 0.00 33.47 31.06 2a55 s TRP 115 CO 0.06 0.32 1.51 1.03 -0.00 0.00 0.00 176.95 179.87 2a55 h SER 116 N 6.46 0.39 -2.15 5.86 0.87 -1.93 -3.47 113.55 119.58 2a55 h SER 116 Ca -0.43 -0.31 0.19 0.00 -1.23 0.00 0.00 61.79 60.01 2a55 h SER 116 Cb 1.16 -0.11 -0.33 0.00 -0.44 0.00 0.00 62.40 62.69 2a55 h SER 116 CO 0.74 0.61 0.85 -1.38 -0.53 0.00 0.00 176.83 177.12 2a55 s HIS 117 N -4.96 -0.07 0.00 2.24 0.00 -1.26 -5.07 115.29 106.17 2a55 s HIS 117 Ca -0.14 0.16 0.00 0.00 -3.00 0.00 0.00 55.06 52.08 2a55 s HIS 117 Cb 0.07 0.41 0.00 0.00 -4.00 0.00 0.00 32.58 29.06 2a55 s HIS 117 CO 0.74 -0.03 0.00 -2.30 -1.00 0.00 0.00 174.74 172.15 2a55 n PRO 118 N 1.85 2.65 -1.46 -0.38 -0.02 -1.26 -4.83 135.00 131.56 2a55 n PRO 118 Ca -0.12 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.03 2a55 n PRO 118 Cb 0.57 0.00 0.09 0.00 -0.02 0.00 0.00 33.50 34.14 2a55 n PRO 118 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2a55 s LEU 119 N 0.00 3.31 0.00 2.45 -0.00 -1.26 -4.98 118.68 118.20 2a55 s LEU 119 Ca 0.00 2.30 0.00 0.00 -0.00 0.00 0.00 54.13 56.43 2a55 s LEU 119 Cb 0.00 -4.58 0.00 0.00 -0.00 0.00 0.00 46.19 41.61 2a55 s LEU 119 CO 0.00 -2.20 0.00 -2.65 -0.00 0.00 0.00 176.35 171.50 2a55 n PRO 120 N -2.72 0.38 -3.73 1.48 -0.02 -1.26 -5.01 135.00 124.11 2a55 n PRO 120 Ca 0.13 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.24 2a55 n PRO 120 Cb 0.50 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.88 2a55 n PRO 120 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2a55 s GLN 121 N -1.87 3.89 -0.37 -0.52 -0.21 0.37 -4.95 119.66 116.00 2a55 s GLN 121 Ca 0.00 -0.36 -0.13 0.00 0.02 0.00 0.00 55.36 54.89 2a55 s GLN 121 Cb 0.00 -3.46 0.01 0.00 1.00 0.00 0.00 33.01 30.56 2a55 s GLN 121 CO 0.00 -0.05 0.24 0.00 -2.12 0.00 0.00 175.29 173.36 2a55 s GLU 123 N 1.66 0.99 0.49 0.00 2.56 -1.24 -4.97 118.70 118.20 2a55 s GLU 123 Ca 0.05 -0.49 -0.20 0.00 0.00 0.00 0.00 54.97 54.32 2a55 s GLU 123 Cb -0.18 -0.96 -0.08 0.00 2.00 0.00 0.00 34.13 34.90 2a55 s GLU 123 CO 0.09 0.26 1.06 -1.50 -0.56 0.00 0.00 175.26 174.61 2a55 s ILE 124 N -0.38 3.64 0.00 -3.70 2.07 -1.26 -2.55 121.20 119.03 2a55 s ILE 124 Ca 0.04 1.04 0.00 0.00 -1.41 0.00 0.00 60.65 60.32 2a55 s ILE 124 Cb -0.05 -3.42 0.00 0.00 0.13 0.00 0.00 42.46 39.11 2a55 s ILE 124 CO -0.00 -0.21 0.00 0.18 -1.91 0.00 0.00 174.94 173.00 2a55 n LEU 125 N -0.99 0.00 -4.57 8.50 4.77 0.14 -4.86 117.00 119.98 2a55 n LEU 125 Ca 0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.66 2a55 n LEU 125 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 2a55 n LEU 125 CO 0.40 -0.42 1.26 -1.61 -1.33 0.00 0.00 177.39 175.69 2a55 s GLU 126 N -0.37 3.29 0.08 3.23 0.41 -1.26 -4.96 118.70 119.12 2a55 s GLU 126 Ca 0.00 0.43 -0.13 0.00 -0.41 0.00 0.00 54.97 54.87 2a55 s GLU 126 Cb 0.00 -4.13 0.02 0.00 -1.78 0.00 0.00 34.13 28.24 2a55 s GLU 126 CO 0.00 -1.96 0.29 -1.58 -0.49 0.00 0.00 175.26 171.53 2a55 s HIS 127 N 6.09 -0.05 0.00 1.61 2.46 -1.26 -5.12 115.29 119.03 2a55 s HIS 127 Ca 0.52 -0.24 0.00 0.00 0.47 0.00 0.00 55.06 55.81 2a55 s HIS 127 Cb -0.11 0.09 0.00 0.00 -0.13 0.00 0.00 32.58 32.43 2a55 s HIS 127 CO 0.25 -0.57 0.00 1.58 -2.47 0.00 0.00 174.74 173.52 2a55 n HIS 128 N 0.14 0.00 -1.07 3.88 -0.00 -1.26 -4.99 115.22 111.92 2a55 n HIS 128 Ca -0.17 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.68 2a55 n HIS 128 Cb 0.62 -0.06 0.12 0.00 -0.12 0.00 0.00 29.99 30.54 2a55 n HIS 128 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2a55 n HIS 129 N -1.75 0.50 -3.65 1.57 8.25 -1.26 -5.04 115.22 113.85 2a55 n HIS 129 Ca 0.00 0.37 -0.11 0.00 -0.26 0.00 0.00 57.72 57.72 2a55 n HIS 129 Cb 0.00 -2.02 -0.07 0.00 1.12 0.00 0.00 29.99 29.01 2a55 n HIS 129 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2a55 s HIS 130 N -2.14 -0.87 0.33 4.41 5.04 -1.26 -5.15 115.29 115.65 2a55 s HIS 130 Ca 0.69 1.91 -0.28 0.00 -1.54 0.00 0.00 55.06 55.85 2a55 s HIS 130 Cb -0.29 0.41 -0.09 0.00 0.04 0.00 0.00 32.58 32.65 2a55 s HIS 130 CO 0.55 -0.43 1.13 -3.38 -2.34 0.00 0.00 174.74 170.27 2a55 s HIS 131 N 0.96 3.37 0.00 3.88 -3.43 -1.26 -5.31 115.29 113.50 2a55 s HIS 131 Ca -0.05 1.63 0.00 0.00 -0.80 0.00 0.00 55.06 55.84 2a55 s HIS 131 Cb -0.05 -3.33 0.00 0.00 -1.43 0.00 0.00 32.58 27.77 2a55 s HIS 131 CO -0.09 -0.86 0.00 0.72 -2.00 0.00 0.00 174.74 172.51