#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 -6.99 -0.26 7.83 4.13 -1.26 -4.64 115.26 114.07 2a55 n ASN 1 Ca 0.00 1.38 0.13 0.00 1.68 0.00 0.00 54.58 57.77 2a55 n ASN 1 Cb 0.00 -4.35 0.46 0.00 -1.54 0.00 0.00 39.78 34.35 2a55 n ASN 1 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2a55 n GLY 3 N 1.29 -1.08 3.66 0.00 0.00 -1.26 -4.04 105.19 103.76 2a55 n GLY 3 Ca 0.14 -1.59 -0.52 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.71 1.44 -1.55 1.61 -0.02 -1.13 -4.75 135.00 129.90 2a55 n PRO 4 Ca 0.00 0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 61.60 2a55 n PRO 4 Cb 0.00 -2.23 0.02 0.00 -0.02 0.00 0.00 33.50 31.27 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 4.22 0.95 -1.52 0.52 -0.02 -1.26 -4.99 135.00 132.90 2a55 n PRO 5 Ca 0.22 0.35 -0.25 0.00 -2.02 0.00 0.00 63.50 61.79 2a55 n PRO 5 Cb 0.20 -1.86 0.18 0.00 -0.02 0.00 0.00 33.50 32.01 2a55 n PRO 5 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2a55 n PRO 6 N 0.09 -1.41 -3.45 0.52 -0.02 -1.26 -5.04 135.00 124.44 2a55 n PRO 6 Ca 0.11 -1.73 -0.37 0.00 -2.02 0.00 0.00 63.50 59.48 2a55 n PRO 6 Cb 0.41 -1.22 -0.07 0.00 -0.02 0.00 0.00 33.50 32.60 2a55 n PRO 6 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2a55 s THR 7 N -3.38 5.25 -0.32 3.45 2.01 -1.26 -5.06 115.64 116.33 2a55 s THR 7 Ca 0.65 0.67 -0.05 0.00 0.31 0.00 0.00 61.69 63.27 2a55 s THR 7 Cb -0.02 -3.70 0.04 0.00 0.01 0.00 0.00 72.50 68.83 2a55 s THR 7 CO 0.46 0.33 0.06 -0.76 -0.69 0.00 0.00 174.62 174.01 2a55 s LEU 8 N 0.79 4.07 0.00 4.42 1.02 -1.26 -4.92 118.68 122.79 2a55 s LEU 8 Ca 0.19 -1.14 0.21 0.00 0.02 0.00 0.00 54.13 53.41 2a55 s LEU 8 Cb -0.14 -1.80 1.25 0.00 0.02 0.00 0.00 46.19 45.52 2a55 s LEU 8 CO 0.06 -0.28 1.67 -1.20 0.02 0.00 0.00 176.35 176.62 2a55 n SER 9 N 4.74 0.00 -1.94 2.29 7.64 -1.26 -2.65 113.62 122.44 2a55 n SER 9 Ca -0.13 -0.85 -0.17 0.00 1.01 0.00 0.00 58.87 58.73 2a55 n SER 9 Cb 0.45 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.69 2a55 n SER 9 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2a55 n PHE 10 N -0.94 2.18 0.00 1.43 -1.74 -1.26 -5.01 117.46 112.13 2a55 n PHE 10 Ca 0.16 -2.09 0.00 0.00 -0.56 0.00 0.00 57.45 54.96 2a55 n PHE 10 Cb 0.07 -0.31 0.00 0.00 1.52 0.00 0.00 39.48 40.76 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 -0.72 0.00 -2.69 1.98 0.00 -1.09 -4.37 120.51 113.63 2a55 n ALA 11 Ca 0.36 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.65 2a55 n ALA 11 Cb 0.92 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.26 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 -1.95 0.93 0.69 0.00 0.00 -0.21 -4.25 121.76 116.97 2a55 s ALA 12 Ca 0.00 -0.97 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 2a55 s ALA 12 Cb 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 2a55 s ALA 12 CO 0.00 0.03 0.51 -2.30 0.00 0.00 0.00 175.76 174.00 2a55 n PRO 13 N 1.12 0.34 0.00 0.00 -0.02 -1.26 -0.09 135.00 135.09 2a55 n PRO 13 Ca -0.20 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2a55 n PRO 13 Cb 0.55 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 2a55 n PRO 13 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2a55 n MET 14 N -0.55 1.34 -2.83 -0.52 1.56 -1.26 -4.50 117.12 110.36 2a55 n MET 14 Ca 0.10 0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.44 2a55 n MET 14 Cb 0.49 -0.11 0.02 0.00 2.15 0.00 0.00 33.22 35.77 2a55 n MET 14 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2a55 n ASP 15 N 0.00 -2.66 -3.02 6.12 -0.08 -1.26 -4.90 116.55 110.76 2a55 n ASP 15 Ca 0.00 -3.09 0.03 0.00 -1.51 0.00 0.00 54.79 50.22 2a55 n ASP 15 Cb 0.00 1.46 0.00 0.00 2.34 0.00 0.00 41.12 44.92 2a55 n ASP 15 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 2a55 s ILE 16 N 0.54 -0.46 -0.24 5.18 2.07 -1.26 -4.22 121.20 122.81 2a55 s ILE 16 Ca 0.32 0.00 -0.34 0.00 -1.41 0.00 0.00 60.65 59.22 2a55 s ILE 16 Cb 0.15 -0.21 -0.10 0.00 0.13 0.00 0.00 42.46 42.43 2a55 s ILE 16 CO -0.17 0.00 2.08 0.35 -1.91 0.00 0.00 174.94 175.28 2a55 n THR 17 N 4.49 0.35 0.75 4.00 -2.24 -1.26 -4.76 114.28 115.61 2a55 n THR 17 Ca 0.08 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2a55 n THR 17 Cb 0.59 -1.89 0.00 0.00 -2.10 0.00 0.00 70.33 66.93 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 8.98 1.15 0.16 3.22 7.99 -1.26 -3.39 117.00 133.86 2a55 n LEU 18 Ca 0.32 -0.58 0.03 0.00 -0.01 0.00 0.00 56.01 55.78 2a55 n LEU 18 Cb 0.29 -0.37 0.17 0.00 -0.11 0.00 0.00 43.42 43.40 2a55 n LEU 18 CO 0.73 0.24 0.55 0.71 -1.51 0.00 0.00 177.39 178.11 2a55 h THR 19 N 0.07 0.94 -2.90 -5.08 1.35 -2.03 -3.45 112.91 101.81 2a55 h THR 19 Ca 0.00 -1.97 0.00 0.00 -0.55 0.00 0.00 66.41 63.89 2a55 h THR 19 Cb 0.48 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 2a55 h THR 19 CO 0.00 0.47 0.00 -0.62 -0.25 0.00 0.00 175.52 175.12 2a55 n GLU 20 N -3.39 0.77 0.00 4.72 -0.58 -1.22 -5.06 120.64 115.89 2a55 n GLU 20 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2a55 n GLU 20 Cb 0.64 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.51 2a55 n GLU 20 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2a55 n THR 21 N -1.24 0.00 -4.35 2.62 -1.04 -1.26 -5.11 114.28 103.89 2a55 n THR 21 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 2a55 n THR 21 Cb 0.00 0.16 -0.12 0.00 -1.82 0.00 0.00 70.33 68.56 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 0.00 1.31 -0.34 -2.82 0.52 -1.26 -2.84 118.95 113.51 2a55 s ARG 22 Ca 0.00 -1.36 0.02 0.00 -0.52 0.00 0.00 55.73 53.86 2a55 s ARG 22 Cb 0.00 -1.54 0.15 0.00 0.52 0.00 0.00 34.95 34.07 2a55 s ARG 22 CO 0.00 0.34 0.33 -0.06 0.02 0.00 0.00 175.30 175.92 2a55 s PHE 23 N -1.59 -0.20 0.99 -0.53 0.40 -1.26 -5.05 117.98 110.74 2a55 s PHE 23 Ca 0.14 -0.75 -0.21 0.00 -0.60 0.00 0.00 56.93 55.51 2a55 s PHE 23 Cb -0.08 -0.50 -0.17 0.00 0.51 0.00 0.00 43.02 42.78 2a55 s PHE 23 CO 0.07 -0.94 -1.07 0.36 0.70 0.00 0.00 175.22 174.34 2a55 n LYS 24 N 4.54 0.00 -0.50 0.44 2.85 -1.26 -4.22 118.16 120.01 2a55 n LYS 24 Ca 0.07 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 57.04 2a55 n LYS 24 Cb 0.44 -0.99 0.25 0.00 -0.65 0.00 0.00 35.03 34.09 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 -2.83 0.00 0.00 0.58 -2.24 -1.26 -2.44 114.28 106.09 2a55 n THR 25 Ca -0.02 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 2a55 n THR 25 Cb 0.62 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 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 1.13 1.87 3.69 3.38 0.00 -0.92 -4.83 105.19 109.52 2a55 n GLY 26 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.55 2.10 -0.20 2.61 -1.32 -1.02 -4.81 115.64 112.45 2a55 s THR 27 Ca 0.00 0.04 -0.09 0.00 -1.21 0.00 0.00 61.69 60.42 2a55 s THR 27 Cb 0.00 -2.26 0.08 0.00 -1.51 0.00 0.00 72.50 68.80 2a55 s THR 27 CO 0.00 -0.04 0.47 -0.89 -2.21 0.00 0.00 174.62 171.95 2a55 s THR 28 N -2.41 -0.29 0.00 5.08 2.01 -1.25 -3.14 115.64 115.64 2a55 s THR 28 Ca 0.70 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.80 2a55 s THR 28 Cb -0.25 -0.71 0.00 0.00 0.01 0.00 0.00 72.50 71.55 2a55 s THR 28 CO 0.54 0.04 0.00 0.18 -0.69 0.00 0.00 174.62 174.69 2a55 n LEU 29 N 4.71 0.00 0.00 4.42 4.77 -0.65 -4.94 117.00 125.31 2a55 n LEU 29 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2a55 n LEU 29 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2a55 n LEU 29 CO 0.03 -0.41 0.00 1.17 -1.33 0.00 0.00 177.39 176.85 2a55 n LYS 30 N -0.83 0.00 -1.73 3.23 3.00 -1.26 -4.48 118.16 116.10 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 -2.28 -4.67 -4.44 5.64 4.02 -1.26 -4.73 117.16 109.45 2a55 n TYR 31 Ca 0.00 2.47 -0.26 0.00 -0.01 0.00 0.00 57.90 60.10 2a55 n TYR 31 Cb 0.00 -3.66 -0.10 0.00 -0.02 0.00 0.00 39.34 35.57 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 -3.02 2.36 -0.30 -0.72 -1.32 0.87 -4.87 115.64 108.63 2a55 s THR 32 Ca 0.00 -2.04 -0.03 0.00 -1.21 0.00 0.00 61.69 58.41 2a55 s THR 32 Cb 0.00 -2.80 0.04 0.00 -1.51 0.00 0.00 72.50 68.24 2a55 s THR 32 CO 0.00 -0.15 0.02 0.00 -2.21 0.00 0.00 174.62 172.28 2a55 n LEU 34 N 4.68 -3.72 -4.60 0.00 4.77 -1.26 -4.71 117.00 112.17 2a55 n LEU 34 Ca -0.13 0.23 -0.43 0.00 -0.03 0.00 0.00 56.01 55.64 2a55 n LEU 34 Cb 0.44 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 2a55 n LEU 34 CO 0.28 -3.96 1.72 -2.84 -1.33 0.00 0.00 177.39 171.26 2a55 s PRO 35 N -1.18 3.21 0.00 3.23 0.02 -1.26 -2.92 135.00 136.10 2a55 s PRO 35 Ca 0.32 1.78 0.00 0.00 0.02 0.00 0.00 61.00 63.12 2a55 s PRO 35 Cb -0.19 -4.30 0.00 0.00 0.02 0.00 0.00 34.50 30.02 2a55 s PRO 35 CO 0.54 -2.01 0.00 0.41 -0.33 0.00 0.00 177.00 175.61 2a55 n GLY 36 N 5.63 1.67 3.77 0.52 0.00 -1.26 -5.11 105.19 110.40 2a55 n GLY 36 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 2.92 0.15 1.61 1.51 -1.15 -4.44 117.35 115.96 2a55 s TYR 37 Ca 0.00 1.47 0.10 0.00 -1.01 0.00 0.00 57.07 57.63 2a55 s TYR 37 Cb 0.00 -3.55 -0.04 0.00 -0.11 0.00 0.00 41.96 38.25 2a55 s TYR 37 CO 0.00 -1.77 -0.23 0.08 -1.11 0.00 0.00 175.55 172.52 2a55 s VAL 38 N -1.32 2.08 0.00 0.71 1.01 -1.26 -4.77 120.40 116.85 2a55 s VAL 38 Ca 0.57 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.71 2a55 s VAL 38 Cb -0.35 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.11 2a55 s VAL 38 CO 0.44 -0.10 0.00 0.54 0.00 0.00 0.00 175.10 175.99 2a55 n ARG 39 N 0.59 0.00 -2.11 2.72 1.74 -1.26 -2.71 116.66 115.64 2a55 n ARG 39 Ca -0.15 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.76 2a55 n ARG 39 Cb 0.55 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.97 2a55 n ARG 39 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2a55 n SER 40 N -2.70 -4.92 0.00 0.55 2.88 -1.26 -4.35 113.62 103.82 2a55 n SER 40 Ca 0.00 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2a55 n SER 40 Cb 0.00 -3.99 0.00 0.00 -0.75 0.00 0.00 64.21 59.47 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 -3.65 -0.39 0.00 0.66 8.25 -1.26 -4.00 115.22 114.84 2a55 n HIS 41 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 2a55 n HIS 41 Cb 0.62 0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.86 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 -3.09 0.00 -3.84 0.41 2.88 -1.26 -4.78 113.62 103.93 2a55 n SER 42 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 2a55 n SER 42 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 0.00 0.00 0.00 2.46 2.01 -1.26 -4.44 115.64 114.41 2a55 s THR 43 Ca 0.00 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.05 2a55 s THR 43 Cb 0.00 -1.99 0.00 0.00 0.01 0.00 0.00 72.50 70.52 2a55 s THR 43 CO 0.00 0.00 0.00 1.67 -0.69 0.00 0.00 174.62 175.60 2a55 n GLN 44 N -0.46 0.00 -3.92 4.92 7.27 -1.26 -4.88 117.38 119.05 2a55 n GLN 44 Ca -0.04 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.91 2a55 n GLN 44 Cb 0.59 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.24 2a55 n GLN 44 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2a55 s THR 45 N -0.21 0.00 -0.23 1.69 -4.23 -1.26 -4.92 115.64 106.48 2a55 s THR 45 Ca 0.00 -1.24 -0.03 0.00 -1.18 0.00 0.00 61.69 59.23 2a55 s THR 45 Cb 0.00 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.99 2a55 s THR 45 CO 0.00 0.00 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.27 2a55 s LEU 46 N -3.16 3.00 0.10 4.79 1.02 -1.26 -4.72 118.68 118.44 2a55 s LEU 46 Ca 0.22 -0.56 0.09 0.00 0.02 0.00 0.00 54.13 53.91 2a55 s LEU 46 Cb -0.03 -1.71 -0.04 0.00 0.02 0.00 0.00 46.19 44.43 2a55 s LEU 46 CO 0.16 -0.06 -0.22 -0.89 0.02 0.00 0.00 176.35 175.36 2a55 s THR 47 N 1.43 2.56 -0.32 5.49 2.01 -1.25 -1.64 115.64 123.91 2a55 s THR 47 Ca 0.04 -1.52 -0.26 0.00 0.31 0.00 0.00 61.69 60.26 2a55 s THR 47 Cb -0.15 -2.12 0.01 0.00 0.01 0.00 0.00 72.50 70.25 2a55 s THR 47 CO -0.04 0.17 0.91 0.00 -0.69 0.00 0.00 174.62 174.97 2a55 s ASN 49 N 1.67 4.71 -1.32 0.00 2.20 -1.22 -2.15 114.94 118.83 2a55 s ASN 49 Ca 0.38 -0.73 -0.06 0.00 -0.94 0.00 0.00 52.86 51.51 2a55 s ASN 49 Cb -0.13 0.32 0.13 0.00 -2.00 0.00 0.00 41.25 39.57 2a55 s ASN 49 CO 0.14 -1.63 2.28 -0.24 -2.94 0.00 0.00 177.10 174.71 2a55 n SER 50 N -2.52 7.43 0.00 3.54 2.88 -1.26 -3.61 113.62 120.07 2a55 n SER 50 Ca 0.17 -3.13 0.00 0.00 -1.33 0.00 0.00 58.87 54.57 2a55 n SER 50 Cb 0.61 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 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 2.19 0.00 -1.02 -3.46 9.92 -1.26 -4.99 116.55 117.93 2a55 n ASP 51 Ca 0.58 -1.00 -0.13 0.00 -0.53 0.00 0.00 54.79 53.70 2a55 n ASP 51 Cb 0.27 0.00 -0.06 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 1.33 3.24 0.44 0.00 -1.24 -4.95 105.19 104.01 2a55 n GLY 52 Ca 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.05 1.08 -0.38 1.61 -1.05 -1.26 -4.41 118.70 111.25 2a55 s GLU 53 Ca 0.00 -1.49 -0.20 0.00 -0.15 0.00 0.00 54.97 53.13 2a55 s GLU 53 Cb 0.00 -0.40 0.01 0.00 -0.44 0.00 0.00 34.13 33.30 2a55 s GLU 53 CO 0.00 -0.05 0.61 -1.58 0.95 0.00 0.00 175.26 175.19 2a55 s TRP 54 N -3.53 3.14 0.07 4.83 0.52 -1.26 -3.46 118.94 119.24 2a55 s TRP 54 Ca 0.20 0.20 -0.04 0.00 0.02 0.00 0.00 56.10 56.49 2a55 s TRP 54 Cb 0.05 -3.14 -0.05 0.00 -1.15 0.00 0.00 33.47 29.18 2a55 s TRP 54 CO 0.02 -0.67 0.28 0.08 0.02 0.00 0.00 176.95 176.68 2a55 s VAL 55 N 2.66 5.30 0.00 4.03 1.01 -1.22 -4.98 120.40 127.21 2a55 s VAL 55 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2a55 s VAL 55 Cb -0.15 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2a55 s VAL 55 CO 0.16 0.19 0.00 0.00 0.00 0.00 0.00 175.10 175.44 2a55 n TYR 56 N 0.51 0.00 -3.06 5.22 0.18 -1.26 -3.87 117.16 114.88 2a55 n TYR 56 Ca -0.06 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.53 2a55 n TYR 56 Cb 0.52 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.49 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 5.69 -0.54 9.48 -0.87 -1.26 -5.04 114.94 122.40 2a55 s ASN 57 Ca 0.00 -0.20 -0.28 0.00 -1.57 0.00 0.00 52.86 50.82 2a55 s ASN 57 Cb 0.00 -0.96 0.03 0.00 -0.02 0.00 0.00 41.25 40.30 2a55 s ASN 57 CO 0.00 -0.74 1.12 -0.89 -2.57 0.00 0.00 177.10 174.03 2a55 s THR 58 N -2.40 4.15 -0.08 1.60 2.01 -1.26 -4.80 115.64 114.86 2a55 s THR 58 Ca 0.52 0.88 -0.23 0.00 0.31 0.00 0.00 61.69 63.17 2a55 s THR 58 Cb -0.10 -4.65 -0.19 0.00 0.01 0.00 0.00 72.50 67.57 2a55 s THR 58 CO 0.34 -1.19 0.85 2.19 -0.69 0.00 0.00 174.62 176.12 2a55 h PHE 59 N 9.40 -0.08 -4.00 4.92 -5.15 -1.85 -3.40 116.94 116.79 2a55 h PHE 59 Ca -0.25 -0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.40 2a55 h PHE 59 Cb 1.06 0.03 -0.17 0.00 0.22 0.00 0.00 35.95 37.09 2a55 h PHE 59 CO 0.99 0.52 -0.60 0.00 -2.00 0.00 0.00 178.31 177.22 2a55 n ILE 61 N 0.57 0.00 -1.37 0.00 -5.35 -1.10 -4.78 119.36 107.33 2a55 n ILE 61 Ca -0.17 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 2a55 n ILE 61 Cb 0.59 -0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.07 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 -1.68 -2.75 -3.30 4.28 4.19 -1.11 -4.80 117.16 111.98 2a55 n TYR 62 Ca 0.00 1.66 0.03 0.00 3.31 0.00 0.00 57.90 62.90 2a55 n TYR 62 Cb 0.28 -2.94 -0.02 0.00 0.49 0.00 0.00 39.34 37.14 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 -1.69 0.41 0.00 2.98 -2.85 -1.26 -4.77 119.74 112.55 2a55 s LYS 63 Ca 0.00 0.86 0.00 0.00 -1.00 0.00 0.00 55.97 55.83 2a55 s LYS 63 Cb 0.00 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.27 2a55 s LYS 63 CO 0.00 -0.31 0.00 2.89 0.10 0.00 0.00 175.35 178.03 2a55 n ARG 64 N 5.33 3.31 -3.97 1.78 0.00 -1.26 -2.15 116.66 119.69 2a55 n ARG 64 Ca -0.06 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.69 2a55 n ARG 64 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 32.46 32.92 2a55 n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2a55 s ARG 66 N -4.00 3.77 -0.08 0.00 3.52 -1.26 -4.93 118.95 115.97 2a55 s ARG 66 Ca 0.21 1.83 -0.29 0.00 -0.13 0.00 0.00 55.73 57.34 2a55 s ARG 66 Cb 0.01 -2.45 -0.06 0.00 -1.56 0.00 0.00 34.95 30.89 2a55 s ARG 66 CO 0.06 -0.55 1.77 -1.58 -0.81 0.00 0.00 175.30 174.18 2a55 s HIS 67 N -1.50 1.76 0.33 5.12 5.65 -1.26 -4.82 115.29 120.58 2a55 s HIS 67 Ca 0.63 0.14 0.15 0.00 0.25 0.00 0.00 55.06 56.22 2a55 s HIS 67 Cb -0.30 -4.01 0.79 0.00 -1.18 0.00 0.00 32.58 27.88 2a55 s HIS 67 CO 0.37 -4.09 1.36 -1.00 -0.65 0.00 0.00 174.74 170.73 2a55 h PRO 68 N 10.55 0.00 0.00 2.88 0.13 -1.98 -3.46 132.00 140.12 2a55 h PRO 68 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2a55 h PRO 68 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2a55 h PRO 68 CO 0.96 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.14 2a55 n GLY 69 N -1.28 -1.09 3.74 1.56 0.00 -1.26 -4.63 105.19 102.22 2a55 n GLY 69 Ca -0.01 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 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 4.73 -0.67 1.61 2.12 -1.26 -4.87 118.70 120.36 2a55 s GLU 70 Ca 0.00 1.50 -0.19 0.00 0.36 0.00 0.00 54.97 56.65 2a55 s GLU 70 Cb 0.00 -3.33 0.12 0.00 0.26 0.00 0.00 34.13 31.17 2a55 s GLU 70 CO 0.00 0.28 0.79 -1.17 -0.54 0.00 0.00 175.26 174.62 2a55 s LEU 71 N -0.40 5.38 0.04 2.70 0.20 -1.26 -5.02 118.68 120.32 2a55 s LEU 71 Ca 0.46 -1.60 -0.30 0.00 0.69 0.00 0.00 54.13 53.38 2a55 s LEU 71 Cb -0.25 -2.32 -0.08 0.00 -0.43 0.00 0.00 46.19 43.11 2a55 s LEU 71 CO 0.31 -1.09 1.76 -0.60 -0.29 0.00 0.00 176.35 176.44 2a55 s ARG 72 N 2.58 4.17 -0.80 1.98 3.52 -1.26 -0.98 118.95 128.16 2a55 s ARG 72 Ca 0.16 2.40 -0.00 0.00 -0.13 0.00 0.00 55.73 58.16 2a55 s ARG 72 Cb -0.20 -3.84 -0.00 0.00 -1.56 0.00 0.00 34.95 29.35 2a55 s ARG 72 CO 0.03 -0.83 0.67 0.09 -0.81 0.00 0.00 175.30 174.45 2a55 n ASN 73 N 6.48 -2.26 0.00 -2.12 5.03 -1.26 -4.73 115.26 116.40 2a55 n ASN 73 Ca 0.17 -0.42 0.00 0.00 0.87 0.00 0.00 54.58 55.20 2a55 n ASN 73 Cb 0.41 -3.63 0.00 0.00 -1.02 0.00 0.00 39.78 35.54 2a55 n ASN 73 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2a55 n GLY 74 N -1.10 -1.32 2.62 7.41 0.00 -0.16 -2.71 105.19 109.93 2a55 n GLY 74 Ca -0.18 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.67 2a55 n GLY 74 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a55 s GLN 75 N -1.62 0.94 -0.07 1.61 0.74 -0.29 -4.53 119.66 116.44 2a55 s GLN 75 Ca 0.00 -1.45 -0.38 0.00 0.05 0.00 0.00 55.36 53.58 2a55 s GLN 75 Cb 0.00 -0.70 -0.16 0.00 1.10 0.00 0.00 33.01 33.25 2a55 s GLN 75 CO 0.00 -1.33 1.57 1.55 -0.55 0.00 0.00 175.29 176.53 2a55 n VAL 76 N 3.11 0.18 -1.89 1.34 3.14 -1.26 -3.79 118.33 119.16 2a55 n VAL 76 Ca 0.22 -0.03 -0.38 0.00 -2.96 0.00 0.00 64.34 61.18 2a55 n VAL 76 Cb 0.51 -1.13 -0.03 0.00 -1.06 0.00 0.00 33.84 32.13 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 2.07 2.58 0.06 1.45 2.56 0.11 -4.93 118.70 122.60 2a55 s GLU 77 Ca 0.90 0.97 -0.02 0.00 0.00 0.00 0.00 54.97 56.83 2a55 s GLU 77 Cb -0.96 -4.42 -0.04 0.00 2.00 0.00 0.00 34.13 30.72 2a55 s GLU 77 CO 0.54 -2.76 0.00 0.42 -0.56 0.00 0.00 175.26 172.91 2a55 s ILE 78 N 9.66 0.20 0.00 -3.70 -1.09 -1.26 -4.37 121.20 120.64 2a55 s ILE 78 Ca 0.78 -1.75 0.00 0.00 -2.23 0.00 0.00 60.65 57.46 2a55 s ILE 78 Cb -0.16 -1.54 0.00 0.00 -1.58 0.00 0.00 42.46 39.18 2a55 s ILE 78 CO 0.24 -0.91 0.00 2.29 -1.23 0.00 0.00 174.94 175.33 2a55 n LYS 79 N 0.07 0.00 0.00 2.79 0.00 -1.26 -4.91 118.16 114.85 2a55 n LYS 79 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 2a55 n LYS 79 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.64 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 -0.03 0.00 0.12 0.58 5.66 -1.26 -4.98 114.28 114.37 2a55 n THR 80 Ca 0.00 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.14 2a55 n THR 80 Cb 0.00 0.00 0.33 0.00 -1.55 0.00 0.00 70.33 69.11 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 -1.91 -2.14 116.42 115.28 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 0.18 -1.61 0.00 0.00 179.24 177.81 2a55 n LEU 82 N -2.92 0.15 -4.70 2.28 4.77 -1.26 -4.61 117.00 110.71 2a55 n LEU 82 Ca 0.09 -0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 2a55 n LEU 82 Cb 1.07 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 42.07 2a55 n LEU 82 CO 0.12 0.03 0.74 -0.94 -1.33 0.00 0.00 177.39 176.02 2a55 s SER 83 N -0.70 7.30 0.31 -1.43 1.04 -0.81 -2.71 113.70 116.71 2a55 s SER 83 Ca 0.00 1.64 -0.25 0.00 0.48 0.00 0.00 55.95 57.82 2a55 s SER 83 Cb 0.00 -2.57 -0.15 0.00 0.10 0.00 0.00 66.02 63.41 2a55 s SER 83 CO 0.00 -0.35 0.55 0.33 0.98 0.00 0.00 173.24 174.75 2a55 n PHE 84 N 4.33 -0.43 -1.06 5.02 -0.00 -0.92 -3.78 117.46 120.63 2a55 n PHE 84 Ca 0.07 0.76 0.00 0.00 -0.00 0.00 0.00 57.45 58.28 2a55 n PHE 84 Cb 0.50 -1.99 0.00 0.00 -0.00 0.00 0.00 39.48 37.98 2a55 n PHE 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2a55 n GLY 85 N 1.85 0.85 0.00 7.13 0.00 -1.22 -4.81 105.19 108.98 2a55 n GLY 85 Ca 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2a55 n GLY 85 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a55 n SER 86 N 0.38 0.00 0.00 1.61 7.64 -1.25 -5.05 113.62 116.95 2a55 n SER 86 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2a55 n SER 86 Cb 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 2a55 n SER 86 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2a55 n GLN 87 N 0.00 0.00 -4.00 1.43 0.00 -1.25 -4.25 117.38 109.31 2a55 n GLN 87 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.00 56.69 2a55 n GLN 87 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 30.24 30.08 2a55 n GLN 87 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 2a55 s ILE 88 N -2.00 1.75 1.07 1.69 -4.36 0.77 -4.84 121.20 115.28 2a55 s ILE 88 Ca 0.00 -1.23 -0.15 0.00 -0.26 0.00 0.00 60.65 59.01 2a55 s ILE 88 Cb 0.00 -1.88 0.22 0.00 1.25 0.00 0.00 42.46 42.05 2a55 s ILE 88 CO 0.00 0.05 1.12 -0.70 0.24 0.00 0.00 174.94 175.65 2a55 s GLU 89 N 1.32 -0.14 0.20 0.37 2.12 -1.25 -2.95 118.70 118.36 2a55 s GLU 89 Ca -0.04 0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.49 2a55 s GLU 89 Cb -0.18 -1.70 -0.01 0.00 0.26 0.00 0.00 34.13 32.50 2a55 s GLU 89 CO -0.07 -3.04 0.08 1.19 -0.54 0.00 0.00 175.26 172.87 2a55 n PHE 90 N -4.33 0.05 -3.15 5.30 3.72 -1.13 0.08 117.46 118.00 2a55 n PHE 90 Ca 0.09 -1.32 0.04 0.00 -0.05 0.00 0.00 57.45 56.21 2a55 n PHE 90 Cb 0.59 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.12 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 -2.25 -1.46 -0.14 4.37 1.04 -1.25 -4.79 113.70 109.21 2a55 s SER 91 Ca 0.11 0.56 -0.27 0.00 0.48 0.00 0.00 55.95 56.83 2a55 s SER 91 Cb 0.01 2.09 -0.01 0.00 0.10 0.00 0.00 66.02 68.20 2a55 s SER 91 CO 0.08 -0.27 0.91 0.00 0.98 0.00 0.00 173.24 174.93 2a55 n SER 93 N 5.16 -2.51 0.00 0.00 7.64 -1.10 -4.57 113.62 118.24 2a55 n SER 93 Ca 0.06 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.69 2a55 n SER 93 Cb 0.49 -0.60 0.00 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 0.04 0.00 0.00 1.43 2.13 -1.26 -1.66 120.64 121.32 2a55 n GLU 94 Ca 0.04 0.52 0.00 0.00 0.66 0.00 0.00 57.16 58.38 2a55 n GLU 94 Cb 0.18 -1.03 0.00 0.00 0.27 0.00 0.00 31.44 30.86 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 -0.99 0.92 3.41 8.31 0.00 -1.26 -4.69 105.19 110.89 2a55 n GLY 95 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.05 -0.49 0.39 1.61 0.08 -0.66 -3.67 117.98 115.28 2a55 s PHE 96 Ca 0.00 0.99 0.08 0.00 0.12 0.00 0.00 56.93 58.12 2a55 s PHE 96 Cb 0.00 0.24 -0.06 0.00 -0.57 0.00 0.00 43.02 42.63 2a55 s PHE 96 CO 0.00 -0.42 0.09 -0.59 -0.10 0.00 0.00 175.22 174.20 2a55 s PHE 97 N -0.67 2.57 0.14 0.36 -0.71 -0.79 -3.87 117.98 115.01 2a55 s PHE 97 Ca -0.08 -0.56 -0.28 0.00 -1.04 0.00 0.00 56.93 54.97 2a55 s PHE 97 Cb -0.03 -1.78 -0.07 0.00 -1.21 0.00 0.00 43.02 39.93 2a55 s PHE 97 CO 0.05 0.33 0.88 -1.17 -1.34 0.00 0.00 175.22 173.97 2a55 s LEU 98 N -3.80 4.54 -0.29 -1.99 1.98 -1.26 -3.15 118.68 114.71 2a55 s LEU 98 Ca 0.38 1.72 0.03 0.00 -2.89 0.00 0.00 54.13 53.37 2a55 s LEU 98 Cb 0.04 -3.45 0.18 0.00 0.66 0.00 0.00 46.19 43.62 2a55 s LEU 98 CO 0.21 0.06 0.52 -0.63 -1.89 0.00 0.00 176.35 174.62 2a55 s ILE 99 N -0.52 -0.86 0.00 6.68 1.01 -0.75 -4.98 121.20 121.78 2a55 s ILE 99 Ca 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.97 2a55 s ILE 99 Cb -0.23 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.26 2a55 s ILE 99 CO 0.28 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.74 2a55 n GLY 100 N 5.40 -0.03 2.44 6.18 0.00 -1.26 -0.13 105.19 117.78 2a55 n GLY 100 Ca 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.66 0.00 1.61 7.64 -1.26 -4.42 113.62 115.54 2a55 n SER 101 Ca 0.00 1.15 0.02 0.00 1.01 0.00 0.00 58.87 61.05 2a55 n SER 101 Cb 0.00 -4.61 0.11 0.00 -1.01 0.00 0.00 64.21 58.69 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 1.29 1.41 -4.36 0.44 -2.24 -1.26 -4.59 114.28 104.97 2a55 n THR 102 Ca -0.30 0.35 -0.27 0.00 -2.27 0.00 0.00 64.05 61.57 2a55 n THR 102 Cb 0.47 -1.27 -0.10 0.00 -2.10 0.00 0.00 70.33 67.32 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 -2.84 2.77 -0.19 4.28 -4.23 -1.26 -2.84 115.64 111.33 2a55 s THR 103 Ca 0.03 -1.89 -0.04 0.00 -1.18 0.00 0.00 61.69 58.61 2a55 s THR 103 Cb 0.03 -2.36 0.09 0.00 1.34 0.00 0.00 72.50 71.60 2a55 s THR 103 CO 0.08 -0.14 0.25 -0.44 -0.54 0.00 0.00 174.62 173.83 2a55 s SER 104 N -2.83 0.93 0.16 3.99 0.01 -1.15 -4.89 113.70 109.92 2a55 s SER 104 Ca 0.24 0.07 -0.11 0.00 1.31 0.00 0.00 55.95 57.46 2a55 s SER 104 Cb -0.08 0.57 -0.07 0.00 0.21 0.00 0.00 66.02 66.65 2a55 s SER 104 CO 0.13 -0.30 0.50 -0.13 0.41 0.00 0.00 173.24 173.85 2a55 s ARG 105 N 2.38 3.83 -0.36 12.44 0.52 -1.26 -0.16 118.95 136.34 2a55 s ARG 105 Ca 0.06 0.28 -0.16 0.00 -0.52 0.00 0.00 55.73 55.40 2a55 s ARG 105 Cb -0.15 -2.83 -0.00 0.00 0.52 0.00 0.00 34.95 32.49 2a55 s ARG 105 CO -0.12 0.43 0.38 0.00 0.02 0.00 0.00 175.30 176.02 2a55 s GLU 107 N 2.04 2.10 -0.04 0.00 2.56 -1.26 -3.44 118.70 120.66 2a55 s GLU 107 Ca 0.12 -1.90 0.00 0.00 0.00 0.00 0.00 54.97 53.19 2a55 s GLU 107 Cb -0.17 -1.86 0.03 0.00 2.00 0.00 0.00 34.13 34.13 2a55 s GLU 107 CO 0.12 -0.03 -0.01 0.08 -0.56 0.00 0.00 175.26 174.86 2a55 s VAL 108 N -2.61 0.30 -0.04 3.70 1.01 -1.26 -0.41 120.40 121.09 2a55 s VAL 108 Ca 0.37 0.03 0.14 0.00 0.00 0.00 0.00 61.98 62.53 2a55 s VAL 108 Cb 0.05 -0.38 0.25 0.00 0.00 0.00 0.00 36.38 36.30 2a55 s VAL 108 CO 0.20 0.18 1.11 0.00 0.00 0.00 0.00 175.10 176.59 2a55 n GLN 109 N 4.22 0.29 0.00 2.72 10.64 -1.26 -4.83 117.38 129.16 2a55 n GLN 109 Ca -0.24 -1.82 0.00 0.00 -1.83 0.00 0.00 57.00 53.12 2a55 n GLN 109 Cb 0.50 -0.51 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2a55 n GLN 109 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2a55 n ASP 110 N -0.05 0.00 -1.70 2.61 8.00 -1.26 -4.99 116.55 119.16 2a55 n ASP 110 Ca 0.06 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.64 2a55 n ASP 110 Cb 0.88 0.00 0.38 0.00 -0.02 0.00 0.00 41.12 42.36 2a55 n ASP 110 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2a55 n ARG 111 N 0.00 4.22 -0.49 -1.24 1.85 -1.26 -4.23 116.66 115.51 2a55 n ARG 111 Ca 0.00 -3.01 0.00 0.00 -1.00 0.00 0.00 57.85 53.84 2a55 n ARG 111 Cb 0.00 -2.05 0.00 0.00 -1.05 0.00 0.00 32.46 29.36 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 0.86 0.51 1.32 2.89 0.00 -1.26 -5.13 105.19 104.37 2a55 n GLY 112 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2a55 n GLY 112 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2a55 n VAL 113 N 0.00 -3.86 -3.59 1.61 0.31 -1.26 -4.91 118.33 106.63 2a55 n VAL 113 Ca 0.00 1.74 -0.29 0.00 -0.01 0.00 0.00 64.34 65.78 2a55 n VAL 113 Cb 0.68 -2.51 -0.12 0.00 -0.91 0.00 0.00 33.84 30.98 2a55 n VAL 113 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2a55 s GLY 114 N -3.80 1.48 0.77 2.92 0.00 0.45 -4.80 107.32 104.35 2a55 s GLY 114 Ca 0.00 -2.51 -0.17 0.00 0.00 0.00 0.00 44.72 42.04 2a55 s GLY 114 CO 0.00 1.77 -0.41 0.79 0.00 0.00 0.00 173.10 175.26 2a55 n TRP 115 N 3.34 -3.88 -0.05 1.90 7.02 -1.26 -4.25 117.44 120.26 2a55 n TRP 115 Ca 0.16 0.21 -0.05 0.00 -1.02 0.00 0.00 57.50 56.79 2a55 n TRP 115 Cb 0.38 -1.58 -0.08 0.00 -2.42 0.00 0.00 31.31 27.61 2a55 n TRP 115 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2a55 n SER 116 N 2.74 2.38 -3.64 -0.99 7.64 -1.26 -4.92 113.62 115.57 2a55 n SER 116 Ca 0.03 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.85 2a55 n SER 116 Cb 0.52 0.77 -0.07 0.00 -1.01 0.00 0.00 64.21 64.42 2a55 n SER 116 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2a55 s HIS 117 N -2.26 -0.75 0.00 1.43 5.65 -1.26 -5.11 115.29 112.98 2a55 s HIS 117 Ca -0.05 1.56 0.00 0.00 0.25 0.00 0.00 55.06 56.82 2a55 s HIS 117 Cb 0.03 0.45 0.00 0.00 -1.18 0.00 0.00 32.58 31.88 2a55 s HIS 117 CO 0.44 -0.37 0.00 -0.35 -0.65 0.00 0.00 174.74 173.80 2a55 n PRO 118 N 3.66 3.77 -1.41 2.88 -0.04 -1.26 -4.79 135.00 137.82 2a55 n PRO 118 Ca -0.18 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.84 2a55 n PRO 118 Cb 0.58 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.03 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 -1.07 0.00 1.53 7.99 -1.26 -5.00 117.00 119.19 2a55 n LEU 119 Ca 0.00 0.99 0.00 0.00 -0.01 0.00 0.00 56.01 56.99 2a55 n LEU 119 Cb 0.00 -1.01 0.00 0.00 -0.11 0.00 0.00 43.42 42.30 2a55 n LEU 119 CO 0.00 -3.14 0.00 -0.81 -1.51 0.00 0.00 177.39 171.93 2a55 n PRO 120 N 0.96 1.34 -3.65 3.23 -0.05 -1.26 -5.06 135.00 130.51 2a55 n PRO 120 Ca 0.13 0.00 -0.23 0.00 -0.05 0.00 0.00 63.50 63.35 2a55 n PRO 120 Cb 0.34 0.00 -0.17 0.00 -0.05 0.00 0.00 33.50 33.61 2a55 n PRO 120 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 175.50 174.31 2a55 s GLN 121 N 1.30 0.03 -0.46 0.54 0.74 0.81 -4.93 119.66 117.69 2a55 s GLN 121 Ca 0.00 0.13 -0.16 0.00 0.05 0.00 0.00 55.36 55.38 2a55 s GLN 121 Cb 0.00 -1.20 0.06 0.00 1.10 0.00 0.00 33.01 32.97 2a55 s GLN 121 CO 0.00 -0.50 0.42 0.00 -0.55 0.00 0.00 175.29 174.66 2a55 s GLU 123 N 1.85 1.79 0.52 0.00 0.41 -1.19 -4.88 118.70 117.20 2a55 s GLU 123 Ca 0.07 -1.12 -0.22 0.00 -0.41 0.00 0.00 54.97 53.28 2a55 s GLU 123 Cb -0.22 -2.00 -0.06 0.00 -1.78 0.00 0.00 34.13 30.08 2a55 s GLU 123 CO 0.09 0.51 1.30 -1.50 -0.49 0.00 0.00 175.26 175.17 2a55 s ILE 124 N -0.85 2.40 -0.02 -1.63 2.07 -1.24 -1.89 121.20 120.04 2a55 s ILE 124 Ca 0.12 0.30 -0.23 0.00 -1.41 0.00 0.00 60.65 59.43 2a55 s ILE 124 Cb -0.10 -3.15 -0.21 0.00 0.13 0.00 0.00 42.46 39.13 2a55 s ILE 124 CO 0.03 -0.00 1.14 -0.07 -1.91 0.00 0.00 174.94 174.12 2a55 h LEU 125 N 1.66 0.25 0.00 8.50 3.38 -1.93 -3.47 115.31 123.71 2a55 h LEU 125 Ca -0.50 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 56.80 2a55 h LEU 125 Cb 1.28 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2a55 h LEU 125 CO 0.58 0.88 0.00 -0.62 0.09 0.00 0.00 178.44 179.38 2a55 n GLU 126 N -4.54 0.00 -4.08 1.13 1.02 -1.26 -5.15 120.64 107.76 2a55 n GLU 126 Ca -0.09 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 56.98 2a55 n GLU 126 Cb 0.45 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.77 2a55 n GLU 126 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2a55 s HIS 127 N 0.00 0.50 0.00 -0.32 3.76 -1.26 -5.05 115.29 112.92 2a55 s HIS 127 Ca 0.00 -1.03 0.00 0.00 -0.15 0.00 0.00 55.06 53.88 2a55 s HIS 127 Cb 0.00 -0.38 0.00 0.00 1.11 0.00 0.00 32.58 33.31 2a55 s HIS 127 CO 0.00 -0.37 0.00 1.58 -0.85 0.00 0.00 174.74 175.10 2a55 n HIS 128 N 0.21 -0.15 -2.77 1.40 -0.00 -1.26 -5.07 115.22 107.58 2a55 n HIS 128 Ca -0.15 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.63 2a55 n HIS 128 Cb 0.61 0.05 -0.05 0.00 -0.12 0.00 0.00 29.99 30.47 2a55 n HIS 128 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2a55 s HIS 129 N -1.10 3.92 0.12 1.57 3.76 -1.26 -4.97 115.29 117.34 2a55 s HIS 129 Ca 0.00 1.84 -0.07 0.00 -0.15 0.00 0.00 55.06 56.68 2a55 s HIS 129 Cb 0.00 -2.98 -0.11 0.00 1.11 0.00 0.00 32.58 30.60 2a55 s HIS 129 CO 0.00 0.38 1.30 1.25 -0.85 0.00 0.00 174.74 176.82 2a55 h HIS 130 N 4.64 0.76 0.00 1.40 2.76 -2.06 -3.36 115.15 119.29 2a55 h HIS 130 Ca -0.44 -0.39 0.00 0.00 -2.20 0.00 0.00 60.37 57.33 2a55 h HIS 130 Cb 1.20 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 30.07 2a55 h HIS 130 CO 0.63 1.21 0.00 0.72 -1.30 0.00 0.00 177.93 179.18 2a55 n HIS 131 N -3.81 0.00 -0.32 5.26 8.25 -1.26 -5.29 115.22 118.06 2a55 n HIS 131 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2a55 n HIS 131 Cb 0.81 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.53 2a55 n HIS 131 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70