#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 2.09 -3.98 7.83 4.13 -1.26 -4.20 115.26 119.87 2a55 n ASN 1 Ca 0.00 0.93 -0.16 0.00 1.68 0.00 0.00 54.58 57.03 2a55 n ASN 1 Cb 0.00 -1.52 0.02 0.00 -1.54 0.00 0.00 39.78 36.74 2a55 n ASN 1 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2a55 s GLY 3 N -3.57 1.69 0.43 0.00 0.00 -1.26 -3.97 107.32 100.63 2a55 s GLY 3 Ca 0.30 -1.00 -0.21 0.00 0.00 0.00 0.00 44.72 43.81 2a55 s GLY 3 CO 0.19 -0.48 0.31 -1.05 0.00 0.00 0.00 173.10 172.08 2a55 n PRO 4 N -3.20 0.28 -1.69 2.90 -0.02 -1.02 -4.79 135.00 127.46 2a55 n PRO 4 Ca 0.10 0.10 -0.43 0.00 -2.02 0.00 0.00 63.50 61.26 2a55 n PRO 4 Cb 0.60 -1.27 -0.03 0.00 -0.02 0.00 0.00 33.50 32.78 2a55 n PRO 4 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2a55 s PRO 5 N -1.33 3.67 1.28 0.52 0.02 -1.26 -4.98 135.00 132.92 2a55 s PRO 5 Ca 0.62 2.26 -0.21 0.00 0.02 0.00 0.00 61.00 63.69 2a55 s PRO 5 Cb -0.61 -4.24 0.33 0.00 0.02 0.00 0.00 34.50 30.01 2a55 s PRO 5 CO 0.60 -1.48 0.75 -0.35 -0.33 0.00 0.00 177.00 176.19 2a55 n PRO 6 N 8.07 -4.52 -3.62 5.54 -0.04 -1.26 -5.00 135.00 134.17 2a55 n PRO 6 Ca 0.24 -1.26 -0.36 0.00 -0.04 0.00 0.00 63.50 62.07 2a55 n PRO 6 Cb 0.43 -1.64 -0.07 0.00 -0.04 0.00 0.00 33.50 32.18 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 -1.95 5.32 -0.30 0.52 -1.32 -1.26 -5.07 115.64 111.58 2a55 s THR 7 Ca 0.58 0.47 -0.04 0.00 -1.21 0.00 0.00 61.69 61.49 2a55 s THR 7 Cb -0.10 -3.58 0.03 0.00 -1.51 0.00 0.00 72.50 67.34 2a55 s THR 7 CO 0.49 0.45 0.03 -0.76 -2.21 0.00 0.00 174.62 172.62 2a55 s LEU 8 N 0.06 3.81 0.22 9.08 1.43 -1.26 -4.94 118.68 127.09 2a55 s LEU 8 Ca 0.16 -0.99 0.23 0.00 -1.03 0.00 0.00 54.13 52.50 2a55 s LEU 8 Cb -0.13 -1.78 0.93 0.00 0.03 0.00 0.00 46.19 45.24 2a55 s LEU 8 CO 0.04 -0.22 1.71 -1.54 0.23 0.00 0.00 176.35 176.56 2a55 n SER 9 N 4.75 0.62 -2.19 2.29 3.41 -1.26 -2.78 113.62 118.45 2a55 n SER 9 Ca -0.14 0.63 -0.29 0.00 -0.26 0.00 0.00 58.87 58.81 2a55 n SER 9 Cb 0.46 -0.77 0.04 0.00 -0.26 0.00 0.00 64.21 63.68 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 -2.16 2.97 0.00 7.33 1.16 -1.26 -4.97 117.46 120.53 2a55 n PHE 10 Ca 0.03 -2.57 0.00 0.00 -1.87 0.00 0.00 57.45 53.04 2a55 n PHE 10 Cb 0.26 -0.77 0.00 0.00 -1.61 0.00 0.00 39.48 37.36 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a55 n ALA 11 N -0.77 0.00 -2.61 1.98 0.00 -1.12 -4.27 120.51 113.73 2a55 n ALA 11 Ca 0.51 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.74 2a55 n ALA 11 Cb 0.81 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.13 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 -1.94 1.28 0.47 0.00 0.00 -1.23 -4.09 121.76 116.25 2a55 s ALA 12 Ca 0.00 -0.84 -0.21 0.00 0.00 0.00 0.00 51.96 50.91 2a55 s ALA 12 Cb 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 23.12 22.78 2a55 s ALA 12 CO 0.00 0.26 0.51 -2.30 0.00 0.00 0.00 175.76 174.23 2a55 n PRO 13 N 2.00 0.54 0.00 0.00 -0.02 -1.26 -0.29 135.00 135.97 2a55 n PRO 13 Ca -0.17 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2a55 n PRO 13 Cb 0.54 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 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 0.44 0.82 -3.19 -0.52 1.56 -1.26 -4.68 117.12 110.28 2a55 n MET 14 Ca 0.11 0.00 -0.21 0.00 -0.27 0.00 0.00 57.70 57.33 2a55 n MET 14 Cb 0.43 -0.17 -0.06 0.00 2.15 0.00 0.00 33.22 35.56 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 -0.30 -0.93 -3.15 6.12 2.03 -1.26 -4.97 116.55 114.09 2a55 n ASP 15 Ca 0.00 -2.61 0.06 0.00 0.52 0.00 0.00 54.79 52.75 2a55 n ASP 15 Cb 0.00 -0.06 -0.00 0.00 -0.72 0.00 0.00 41.12 40.34 2a55 n ASP 15 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2a55 s ILE 16 N -0.12 -0.24 -0.15 5.18 1.10 -1.26 -4.21 121.20 121.50 2a55 s ILE 16 Ca 0.33 0.00 -0.31 0.00 -0.51 0.00 0.00 60.65 60.16 2a55 s ILE 16 Cb 0.09 -0.31 -0.08 0.00 0.15 0.00 0.00 42.46 42.31 2a55 s ILE 16 CO -0.16 0.00 2.10 0.35 -2.11 0.00 0.00 174.94 175.12 2a55 n THR 17 N 5.14 0.47 -0.37 4.00 -2.24 -1.26 -4.79 114.28 115.22 2a55 n THR 17 Ca 0.08 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2a55 n THR 17 Cb 0.57 -2.25 0.00 0.00 -2.10 0.00 0.00 70.33 66.56 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 9.53 4.38 -1.08 3.22 7.99 -1.26 -3.74 117.00 136.04 2a55 n LEU 18 Ca 0.28 -1.98 0.11 0.00 -0.01 0.00 0.00 56.01 54.41 2a55 n LEU 18 Cb 0.38 -0.92 0.22 0.00 -0.11 0.00 0.00 43.42 42.98 2a55 n LEU 18 CO 0.69 0.82 0.69 0.35 -1.51 0.00 0.00 177.39 178.44 2a55 n THR 19 N 1.54 0.64 -4.16 -5.08 -2.24 -1.26 -4.96 114.28 98.76 2a55 n THR 19 Ca 0.00 -0.82 -0.24 0.00 -2.27 0.00 0.00 64.05 60.71 2a55 n THR 19 Cb 0.42 0.84 -0.07 0.00 -2.10 0.00 0.00 70.33 69.41 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 -1.27 2.22 -0.03 -0.78 0.41 -1.25 -5.06 118.70 112.95 2a55 s GLU 20 Ca 0.37 -1.78 0.01 0.00 -0.41 0.00 0.00 54.97 53.16 2a55 s GLU 20 Cb 0.21 -2.00 -0.03 0.00 -1.78 0.00 0.00 34.13 30.53 2a55 s GLU 20 CO 0.29 -0.04 -0.01 0.25 -0.49 0.00 0.00 175.26 175.26 2a55 n THR 21 N -1.17 0.17 -4.47 3.63 -2.24 -1.26 -4.96 114.28 103.97 2a55 n THR 21 Ca -0.02 -0.09 -0.24 0.00 -2.27 0.00 0.00 64.05 61.44 2a55 n THR 21 Cb 0.64 -0.80 -0.10 0.00 -2.10 0.00 0.00 70.33 67.96 2a55 n THR 21 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2a55 s ARG 22 N -2.06 1.67 -0.22 -0.78 0.52 -1.26 -2.43 118.95 114.40 2a55 s ARG 22 Ca -0.02 -1.78 -0.04 0.00 -0.52 0.00 0.00 55.73 53.37 2a55 s ARG 22 Cb 0.01 -1.70 0.11 0.00 0.52 0.00 0.00 34.95 33.89 2a55 s ARG 22 CO 0.09 0.28 0.32 -0.06 0.02 0.00 0.00 175.30 175.94 2a55 s PHE 23 N -2.57 -0.60 1.05 -0.53 0.40 -1.25 -4.93 117.98 109.55 2a55 s PHE 23 Ca 0.30 0.68 -0.17 0.00 -0.60 0.00 0.00 56.93 57.14 2a55 s PHE 23 Cb -0.03 -0.10 0.05 0.00 0.51 0.00 0.00 43.02 43.45 2a55 s PHE 23 CO 0.15 -0.63 0.02 0.36 0.70 0.00 0.00 175.22 175.81 2a55 n LYS 24 N 5.35 -1.01 0.00 0.44 2.85 -1.26 -3.13 118.16 121.40 2a55 n LYS 24 Ca -0.05 -0.27 0.08 0.00 -1.05 0.00 0.00 58.31 57.02 2a55 n LYS 24 Cb 0.50 -1.68 0.44 0.00 -0.65 0.00 0.00 35.03 33.63 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 -4.02 0.20 0.45 0.58 -2.24 -1.26 -1.84 114.28 106.15 2a55 n THR 25 Ca 0.02 0.05 0.09 0.00 -2.27 0.00 0.00 64.05 61.95 2a55 n THR 25 Cb 0.60 -0.80 -0.13 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 -0.01 -0.85 3.56 3.38 0.00 -1.26 -4.22 105.19 105.78 2a55 n GLY 26 Ca 0.10 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.08 2.08 -0.29 2.61 -1.32 -0.77 -4.97 115.64 109.89 2a55 s THR 27 Ca 0.00 0.03 -0.13 0.00 -1.21 0.00 0.00 61.69 60.37 2a55 s THR 27 Cb 0.14 -2.20 0.12 0.00 -1.51 0.00 0.00 72.50 69.04 2a55 s THR 27 CO 0.80 -0.03 0.73 -0.89 -2.21 0.00 0.00 174.62 173.02 2a55 s THR 28 N -2.62 -0.46 0.00 5.08 2.01 -1.25 -4.19 115.64 114.21 2a55 s THR 28 Ca 0.67 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.67 2a55 s THR 28 Cb -0.23 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.28 2a55 s THR 28 CO 0.62 0.00 0.00 0.18 -0.69 0.00 0.00 174.62 174.73 2a55 n LEU 29 N 4.78 0.00 0.00 4.42 4.32 -0.39 -4.92 117.00 125.21 2a55 n LEU 29 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.83 2a55 n LEU 29 Cb 0.54 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.34 2a55 n LEU 29 CO -0.03 0.00 0.00 1.17 -1.22 0.00 0.00 177.39 177.31 2a55 n LYS 30 N 0.00 0.00 -0.71 3.23 4.81 -1.26 -4.39 118.16 119.84 2a55 n LYS 30 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2a55 n LYS 30 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2a55 n LYS 30 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2a55 n TYR 31 N -1.53 -1.97 -2.22 5.64 4.02 -1.26 -4.76 117.16 115.09 2a55 n TYR 31 Ca 0.00 1.05 0.00 0.00 -0.01 0.00 0.00 57.90 58.94 2a55 n TYR 31 Cb 0.00 -2.11 0.00 0.00 -0.02 0.00 0.00 39.34 37.21 2a55 n TYR 31 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2a55 n THR 32 N -1.05 0.00 -3.50 -0.72 -2.24 0.60 -4.79 114.28 102.58 2a55 n THR 32 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2a55 n THR 32 Cb 0.02 -0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 67.17 2a55 n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a55 n LEU 34 N 5.36 -1.82 0.00 0.00 4.77 -1.26 -4.74 117.00 119.31 2a55 n LEU 34 Ca -0.05 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2a55 n LEU 34 Cb 0.50 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 2a55 n LEU 34 CO 0.05 -3.32 0.14 -2.65 -1.33 0.00 0.00 177.39 170.27 2a55 n PRO 35 N -1.61 0.00 0.15 3.23 -0.01 -1.26 -0.60 135.00 134.91 2a55 n PRO 35 Ca 0.02 0.27 0.06 0.00 -0.01 0.00 0.00 63.50 63.85 2a55 n PRO 35 Cb 0.60 -0.72 0.34 0.00 -0.01 0.00 0.00 33.50 33.71 2a55 n PRO 35 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 2a55 n GLY 36 N -0.58 -0.60 3.56 -1.23 0.00 -1.26 -3.96 105.19 101.12 2a55 n GLY 36 Ca 0.00 0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.28 2.49 0.00 1.61 2.02 0.23 -1.45 117.35 118.99 2a55 s TYR 37 Ca -0.01 -0.82 0.00 0.00 -0.37 0.00 0.00 57.07 55.87 2a55 s TYR 37 Cb 0.04 -4.63 0.00 0.00 -0.40 0.00 0.00 41.96 36.97 2a55 s TYR 37 CO 0.11 -1.87 0.00 1.33 -1.57 0.00 0.00 175.55 173.55 2a55 n VAL 38 N 6.91 0.00 -4.45 0.71 0.24 0.76 -4.42 118.33 118.09 2a55 n VAL 38 Ca 0.37 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.47 2a55 n VAL 38 Cb 0.49 -1.73 -0.15 0.00 -1.47 0.00 0.00 33.84 30.98 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 0.23 0.99 -0.28 7.34 1.70 -1.26 -0.57 118.95 127.10 2a55 s ARG 39 Ca 0.00 -0.36 0.18 0.00 -0.47 0.00 0.00 55.73 55.09 2a55 s ARG 39 Cb 0.00 -0.93 0.49 0.00 -0.57 0.00 0.00 34.95 33.94 2a55 s ARG 39 CO 0.00 0.17 1.10 0.43 -1.08 0.00 0.00 175.30 175.92 2a55 n SER 40 N 3.11 2.31 -0.55 -2.89 7.64 -1.26 -4.96 113.62 117.02 2a55 n SER 40 Ca -0.17 -2.52 0.02 0.00 1.01 0.00 0.00 58.87 57.21 2a55 n SER 40 Cb 0.55 -0.46 -0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2a55 n SER 40 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2a55 n HIS 41 N -0.53 -1.75 -0.43 1.43 8.25 -1.26 -4.89 115.22 116.04 2a55 n HIS 41 Ca 0.16 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 2a55 n HIS 41 Cb 0.83 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.75 2a55 n HIS 41 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2a55 n SER 42 N -1.33 0.00 -4.43 0.41 7.64 -1.26 -4.81 113.62 109.84 2a55 n SER 42 Ca 0.00 0.00 -0.49 0.00 1.01 0.00 0.00 58.87 59.39 2a55 n SER 42 Cb 0.06 -0.87 -0.04 0.00 -1.01 0.00 0.00 64.21 62.36 2a55 n SER 42 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2a55 n THR 43 N -2.00 1.70 -0.90 0.44 -2.24 -1.26 -4.67 114.28 105.34 2a55 n THR 43 Ca 0.00 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2a55 n THR 43 Cb 0.00 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 2a55 n THR 43 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2a55 n GLN 44 N 1.07 0.00 -1.38 -0.78 -0.06 -1.26 -5.00 117.38 109.97 2a55 n GLN 44 Ca 0.18 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 55.16 2a55 n GLN 44 Cb 0.23 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.42 2a55 n GLN 44 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2a55 n THR 45 N 0.00 0.00 -3.63 1.69 -2.24 -1.26 -4.96 114.28 103.87 2a55 n THR 45 Ca 0.00 -0.13 -0.39 0.00 -2.27 0.00 0.00 64.05 61.25 2a55 n THR 45 Cb 0.00 0.13 -0.11 0.00 -2.10 0.00 0.00 70.33 68.25 2a55 n THR 45 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2a55 s LEU 46 N 0.00 4.33 -0.05 3.22 1.43 -1.26 -4.69 118.68 121.66 2a55 s LEU 46 Ca 0.02 -0.69 0.04 0.00 -1.03 0.00 0.00 54.13 52.47 2a55 s LEU 46 Cb -0.01 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 2a55 s LEU 46 CO 0.02 -0.26 -0.17 -0.89 0.23 0.00 0.00 176.35 175.27 2a55 s THR 47 N 1.59 1.48 -0.06 5.49 2.01 -1.25 -1.27 115.64 123.63 2a55 s THR 47 Ca 0.04 -0.73 -0.30 0.00 0.31 0.00 0.00 61.69 61.01 2a55 s THR 47 Cb -0.18 -1.28 -0.06 0.00 0.01 0.00 0.00 72.50 70.99 2a55 s THR 47 CO 0.06 0.43 1.75 0.00 -0.69 0.00 0.00 174.62 176.17 2a55 n ASN 49 N 7.61 0.00 -3.11 0.00 0.23 -1.13 -4.18 115.26 114.68 2a55 n ASN 49 Ca 0.19 -0.68 -0.33 0.00 -0.53 0.00 0.00 54.58 53.22 2a55 n ASN 49 Cb 0.43 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.12 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 -2.04 5.89 0.00 0.53 2.88 -1.26 -4.48 113.62 115.14 2a55 n SER 50 Ca 0.00 -3.71 0.00 0.00 -1.33 0.00 0.00 58.87 53.83 2a55 n SER 50 Cb 0.00 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 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 -0.25 2.26 0.00 -3.46 -0.08 -1.26 -5.04 116.55 108.72 2a55 n ASP 51 Ca 0.40 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.68 2a55 n ASP 51 Cb 0.36 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.82 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 2.64 -0.98 0.00 0.27 0.00 -1.26 -5.12 105.19 100.73 2a55 n GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.62 1.61 0.28 -1.26 -4.60 120.64 113.05 2a55 n GLU 53 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.62 2a55 n GLU 53 Cb 0.00 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 32.76 2a55 n GLU 53 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2a55 s TRP 54 N -0.98 3.23 0.08 -1.84 0.52 -1.26 -2.82 118.94 115.87 2a55 s TRP 54 Ca 0.00 0.10 0.01 0.00 0.02 0.00 0.00 56.10 56.23 2a55 s TRP 54 Cb 0.00 -2.34 -0.04 0.00 -1.15 0.00 0.00 33.47 29.94 2a55 s TRP 54 CO 0.00 -0.12 0.22 0.08 0.02 0.00 0.00 176.95 177.15 2a55 s VAL 55 N 1.58 5.35 0.00 4.03 1.01 -1.20 -4.98 120.40 126.19 2a55 s VAL 55 Ca 0.07 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.58 2a55 s VAL 55 Cb -0.15 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2a55 s VAL 55 CO 0.09 0.09 0.00 0.00 0.00 0.00 0.00 175.10 175.28 2a55 n TYR 56 N 0.10 0.00 -3.50 5.22 4.11 -1.26 -3.92 117.16 117.91 2a55 n TYR 56 Ca -0.06 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 57.64 2a55 n TYR 56 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.83 2a55 n TYR 56 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2a55 s ASN 57 N 0.00 5.29 -0.89 9.48 2.20 -1.26 -5.04 114.94 124.72 2a55 s ASN 57 Ca 0.00 -0.58 -0.25 0.00 -0.94 0.00 0.00 52.86 51.09 2a55 s ASN 57 Cb 0.00 -0.73 0.04 0.00 -2.00 0.00 0.00 41.25 38.56 2a55 s ASN 57 CO 0.00 -0.59 1.42 -0.89 -2.94 0.00 0.00 177.10 174.10 2a55 s THR 58 N -2.39 3.80 -0.03 0.54 2.01 -1.26 -4.74 115.64 113.57 2a55 s THR 58 Ca 0.48 -0.26 -0.24 0.00 0.31 0.00 0.00 61.69 61.97 2a55 s THR 58 Cb -0.06 -4.92 -0.18 0.00 0.01 0.00 0.00 72.50 67.36 2a55 s THR 58 CO 0.29 -1.82 1.10 2.19 -0.69 0.00 0.00 174.62 175.68 2a55 h PHE 59 N 10.14 -0.17 -2.74 4.92 -5.15 -1.87 -3.41 116.94 118.66 2a55 h PHE 59 Ca -0.00 -0.00 -0.55 0.00 -0.20 0.00 0.00 57.97 57.22 2a55 h PHE 59 Cb 1.03 0.06 -0.08 0.00 0.22 0.00 0.00 35.95 37.18 2a55 h PHE 59 CO 1.21 0.27 1.01 0.00 -2.00 0.00 0.00 178.31 178.80 2a55 s ILE 61 N 5.35 4.90 -0.20 0.00 2.07 0.26 -4.81 121.20 128.77 2a55 s ILE 61 Ca 0.38 -0.40 -0.29 0.00 -1.41 0.00 0.00 60.65 58.93 2a55 s ILE 61 Cb -0.08 -4.26 -0.00 0.00 0.13 0.00 0.00 42.46 38.25 2a55 s ILE 61 CO 0.20 -0.73 1.14 -0.47 -1.91 0.00 0.00 174.94 173.16 2a55 s TYR 62 N 2.59 3.13 -0.30 3.50 6.14 -1.26 -0.17 117.35 130.98 2a55 s TYR 62 Ca 0.16 1.27 -0.11 0.00 0.64 0.00 0.00 57.07 59.03 2a55 s TYR 62 Cb -0.18 -3.37 0.15 0.00 0.42 0.00 0.00 41.96 38.98 2a55 s TYR 62 CO 0.13 -1.01 0.78 -1.59 0.64 0.00 0.00 175.55 174.50 2a55 s LYS 63 N 3.29 0.46 0.26 4.97 -2.85 -0.53 -4.93 119.74 120.41 2a55 s LYS 63 Ca 0.49 1.12 0.01 0.00 -1.00 0.00 0.00 55.97 56.59 2a55 s LYS 63 Cb -0.18 0.67 -0.00 0.00 -2.06 0.00 0.00 37.83 36.26 2a55 s LYS 63 CO 0.10 -0.21 0.03 2.89 0.10 0.00 0.00 175.35 178.26 2a55 n ARG 64 N 5.29 1.15 -5.06 1.78 0.00 -1.26 -1.81 116.66 116.75 2a55 n ARG 64 Ca -0.10 -1.95 -0.32 0.00 -0.00 0.00 0.00 57.85 55.48 2a55 n ARG 64 Cb 0.51 0.69 -0.17 0.00 -0.00 0.00 0.00 32.46 33.49 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 3.68 0.86 -1.69 0.00 3.00 -1.26 -4.74 116.66 116.52 2a55 n ARG 66 Ca -0.19 0.30 -0.51 0.00 -0.00 0.00 0.00 57.85 57.45 2a55 n ARG 66 Cb 0.53 -1.56 -0.05 0.00 0.00 0.00 0.00 32.46 31.37 2a55 n ARG 66 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2a55 n HIS 67 N 0.28 2.20 -0.35 -0.14 8.25 -1.26 -4.81 115.22 119.38 2a55 n HIS 67 Ca 0.13 0.22 0.31 0.00 -0.26 0.00 0.00 57.72 58.12 2a55 n HIS 67 Cb 0.29 -2.57 0.65 0.00 1.12 0.00 0.00 29.99 29.47 2a55 n HIS 67 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2a55 h PRO 68 N 8.06 0.16 0.00 -0.41 0.11 -1.97 -3.47 132.00 134.48 2a55 h PRO 68 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2a55 h PRO 68 Cb 1.29 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2a55 h PRO 68 CO 0.94 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 179.24 2a55 n GLY 69 N -1.63 -0.97 3.72 -0.55 0.00 -1.26 -4.42 105.19 100.08 2a55 n GLY 69 Ca 0.28 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.56 4.61 -0.73 1.61 2.12 -1.26 -4.87 118.70 119.62 2a55 s GLU 70 Ca 0.00 1.49 -0.20 0.00 0.36 0.00 0.00 54.97 56.61 2a55 s GLU 70 Cb 0.00 -3.40 0.10 0.00 0.26 0.00 0.00 34.13 31.09 2a55 s GLU 70 CO 0.00 0.05 0.95 -1.17 -0.54 0.00 0.00 175.26 174.55 2a55 s LEU 71 N 0.48 4.88 0.04 2.70 0.20 -1.26 -5.00 118.68 120.72 2a55 s LEU 71 Ca 0.50 -1.46 -0.30 0.00 0.69 0.00 0.00 54.13 53.56 2a55 s LEU 71 Cb -0.23 -2.38 -0.08 0.00 -0.43 0.00 0.00 46.19 43.06 2a55 s LEU 71 CO 0.29 -1.23 1.80 -0.60 -0.29 0.00 0.00 176.35 176.33 2a55 s ARG 72 N 3.22 4.16 -1.00 1.98 3.52 -1.26 -0.28 118.95 129.29 2a55 s ARG 72 Ca 0.23 2.45 -0.02 0.00 -0.13 0.00 0.00 55.73 58.26 2a55 s ARG 72 Cb -0.15 -3.89 0.00 0.00 -1.56 0.00 0.00 34.95 29.35 2a55 s ARG 72 CO 0.03 -0.86 0.85 0.09 -0.81 0.00 0.00 175.30 174.59 2a55 n ASN 73 N 6.67 -3.16 -3.59 -2.12 5.03 -1.26 -4.66 115.26 112.17 2a55 n ASN 73 Ca 0.18 -0.47 -0.01 0.00 0.87 0.00 0.00 54.58 55.15 2a55 n ASN 73 Cb 0.41 -4.18 0.01 0.00 -1.02 0.00 0.00 39.78 35.00 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 -3.82 -0.12 -0.44 7.41 0.00 0.61 -2.96 107.32 108.01 2a55 s GLY 74 Ca 0.15 0.05 0.05 0.00 0.00 0.00 0.00 44.72 44.97 2a55 s GLY 74 CO 0.58 2.23 0.45 1.62 0.00 0.00 0.00 173.10 177.98 2a55 s GLN 75 N -2.39 0.92 -0.17 2.90 0.74 0.17 -4.51 119.66 117.33 2a55 s GLN 75 Ca 0.20 -1.67 -0.38 0.00 0.05 0.00 0.00 55.36 53.56 2a55 s GLN 75 Cb -0.00 -0.95 -0.15 0.00 1.10 0.00 0.00 33.01 33.02 2a55 s GLN 75 CO 0.01 -1.35 1.74 1.55 -0.55 0.00 0.00 175.29 176.69 2a55 n VAL 76 N 3.03 0.35 -1.89 1.34 3.14 -1.26 -3.09 118.33 119.94 2a55 n VAL 76 Ca 0.24 -0.06 -0.39 0.00 -2.96 0.00 0.00 64.34 61.17 2a55 n VAL 76 Cb 0.50 -1.39 -0.03 0.00 -1.06 0.00 0.00 33.84 31.86 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 3.31 2.66 0.01 1.45 2.56 0.13 -4.93 118.70 123.88 2a55 s GLU 77 Ca 0.95 1.06 0.06 0.00 0.00 0.00 0.00 54.97 57.04 2a55 s GLU 77 Cb -0.94 -4.40 -0.02 0.00 2.00 0.00 0.00 34.13 30.78 2a55 s GLU 77 CO 0.59 -2.66 -0.20 0.42 -0.56 0.00 0.00 175.26 172.85 2a55 s ILE 78 N 9.39 1.57 0.00 -3.70 -1.09 -1.26 -4.02 121.20 122.09 2a55 s ILE 78 Ca 0.79 -0.97 0.00 0.00 -2.23 0.00 0.00 60.65 58.24 2a55 s ILE 78 Cb -0.17 -1.33 0.00 0.00 -1.58 0.00 0.00 42.46 39.38 2a55 s ILE 78 CO 0.25 0.34 0.00 2.29 -1.23 0.00 0.00 174.94 176.59 2a55 n LYS 79 N 2.31 0.00 0.00 2.79 0.00 -1.26 -4.94 118.16 117.05 2a55 n LYS 79 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 2a55 n LYS 79 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.56 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 -1.26 0.00 -0.87 0.58 -2.24 -1.26 -4.79 114.28 104.44 2a55 n THR 80 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2a55 n THR 80 Cb 0.00 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 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 -0.11 -4.46 -2.70 3.42 8.00 -1.26 -2.38 116.55 117.06 2a55 n ASP 81 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 2a55 n ASP 81 Cb 0.15 -3.23 0.05 0.00 -0.02 0.00 0.00 41.12 38.08 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 -4.16 -4.72 0.64 4.32 -1.26 -4.75 117.00 107.07 2a55 n LEU 82 Ca 0.00 -0.47 -0.37 0.00 -0.02 0.00 0.00 56.01 55.15 2a55 n LEU 82 Cb 0.37 -2.35 -0.07 0.00 -1.62 0.00 0.00 43.42 39.75 2a55 n LEU 82 CO 0.00 0.13 0.04 -0.94 -1.22 0.00 0.00 177.39 175.41 2a55 s SER 83 N -3.49 6.49 0.08 -1.43 1.04 -1.00 -2.02 113.70 113.37 2a55 s SER 83 Ca 0.21 0.58 -0.17 0.00 0.48 0.00 0.00 55.95 57.05 2a55 s SER 83 Cb -0.03 -2.21 -0.10 0.00 0.10 0.00 0.00 66.02 63.78 2a55 s SER 83 CO 0.51 0.05 0.36 0.33 0.98 0.00 0.00 173.24 175.47 2a55 n PHE 84 N 3.74 -0.10 -1.87 5.02 7.35 -0.75 -3.31 117.46 127.54 2a55 n PHE 84 Ca -0.10 0.54 0.00 0.00 -0.76 0.00 0.00 57.45 57.13 2a55 n PHE 84 Cb 0.52 -1.09 0.00 0.00 0.35 0.00 0.00 39.48 39.26 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 1.02 0.96 3.12 7.13 0.00 -1.16 -4.96 105.19 111.30 2a55 n GLY 85 Ca 0.10 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.76 0.17 -0.08 1.61 0.01 -1.21 -4.98 113.70 106.47 2a55 s SER 86 Ca 0.00 -0.52 0.03 0.00 1.31 0.00 0.00 55.95 56.76 2a55 s SER 86 Cb 0.00 0.23 -0.02 0.00 0.21 0.00 0.00 66.02 66.44 2a55 s SER 86 CO 0.00 -0.51 -0.16 -1.58 0.41 0.00 0.00 173.24 171.40 2a55 s GLN 87 N -2.60 2.84 -0.26 12.44 -0.44 -1.25 -1.70 119.66 128.69 2a55 s GLN 87 Ca -0.05 -0.74 0.01 0.00 -2.50 0.00 0.00 55.36 52.07 2a55 s GLN 87 Cb -0.01 -2.42 0.07 0.00 -1.64 0.00 0.00 33.01 29.01 2a55 s GLN 87 CO -0.04 0.41 -0.01 0.96 0.50 0.00 0.00 175.29 177.11 2a55 s ILE 88 N -0.19 1.46 0.02 -2.34 -4.36 0.66 -4.89 121.20 111.57 2a55 s ILE 88 Ca -0.01 -1.37 -0.00 0.00 -0.26 0.00 0.00 60.65 59.01 2a55 s ILE 88 Cb -0.13 -1.86 0.01 0.00 1.25 0.00 0.00 42.46 41.73 2a55 s ILE 88 CO 0.03 -0.28 0.02 -0.62 0.24 0.00 0.00 174.94 174.33 2a55 n GLU 89 N 4.66 -1.28 -4.15 0.37 1.02 -1.26 -2.71 120.64 117.30 2a55 n GLU 89 Ca -0.08 -0.03 -0.16 0.00 -0.02 0.00 0.00 57.16 56.87 2a55 n GLU 89 Cb 0.44 -0.03 -0.05 0.00 -0.02 0.00 0.00 31.44 31.77 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 -1.03 1.31 -0.29 -0.32 0.08 -1.15 0.17 117.98 116.73 2a55 s PHE 90 Ca 0.01 -1.43 -0.02 0.00 0.12 0.00 0.00 56.93 55.61 2a55 s PHE 90 Cb -0.00 -0.28 0.18 0.00 -0.57 0.00 0.00 43.02 42.35 2a55 s PHE 90 CO 0.01 -1.08 0.58 -1.12 -0.10 0.00 0.00 175.22 173.51 2a55 s SER 91 N -3.29 -1.19 -0.30 1.36 0.01 -1.18 -4.76 113.70 104.35 2a55 s SER 91 Ca 0.34 0.85 -0.23 0.00 1.31 0.00 0.00 55.95 58.21 2a55 s SER 91 Cb 0.00 2.05 -0.00 0.00 0.21 0.00 0.00 66.02 68.29 2a55 s SER 91 CO 0.23 -0.26 0.77 0.00 0.41 0.00 0.00 173.24 174.40 2a55 n SER 93 N 6.14 -2.95 -4.31 0.00 7.64 -1.16 -4.58 113.62 114.40 2a55 n SER 93 Ca 0.03 0.02 -0.38 0.00 1.01 0.00 0.00 58.87 59.55 2a55 n SER 93 Cb 0.48 -0.85 0.02 0.00 -1.01 0.00 0.00 64.21 62.86 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 -0.19 0.16 0.00 1.43 4.07 -1.26 -1.03 120.64 123.83 2a55 n GLU 94 Ca 0.01 0.07 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 2a55 n GLU 94 Cb 0.64 -1.25 0.00 0.00 -0.06 0.00 0.00 31.44 30.77 2a55 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2a55 n GLY 95 N 2.30 1.50 3.60 8.31 0.00 -1.26 -4.91 105.19 114.72 2a55 n GLY 95 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 3.05 0.39 1.61 0.08 -0.20 0.57 117.98 123.48 2a55 s PHE 96 Ca 0.00 0.00 0.08 0.00 0.12 0.00 0.00 56.93 57.13 2a55 s PHE 96 Cb 0.00 -1.82 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 2a55 s PHE 96 CO 0.00 0.28 0.25 -0.59 -0.10 0.00 0.00 175.22 175.06 2a55 s PHE 97 N -0.48 2.70 0.11 0.36 -0.71 -0.46 -4.01 117.98 115.50 2a55 s PHE 97 Ca 0.08 -0.47 -0.24 0.00 -1.04 0.00 0.00 56.93 55.26 2a55 s PHE 97 Cb -0.12 -1.93 -0.07 0.00 -1.21 0.00 0.00 43.02 39.69 2a55 s PHE 97 CO 0.02 0.12 0.75 -1.17 -1.34 0.00 0.00 175.22 173.60 2a55 s LEU 98 N -3.97 4.53 -0.25 -1.99 1.98 -1.26 -3.13 118.68 114.59 2a55 s LEU 98 Ca 0.42 1.53 -0.08 0.00 -2.89 0.00 0.00 54.13 53.11 2a55 s LEU 98 Cb -0.01 -3.22 0.11 0.00 0.66 0.00 0.00 46.19 43.73 2a55 s LEU 98 CO 0.25 0.15 0.52 -0.63 -1.89 0.00 0.00 176.35 174.75 2a55 s ILE 99 N -0.74 -0.81 0.00 6.68 1.01 -0.80 -4.95 121.20 121.59 2a55 s ILE 99 Ca 0.36 0.08 0.00 0.00 0.00 0.00 0.00 60.65 61.08 2a55 s ILE 99 Cb -0.22 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.42 2a55 s ILE 99 CO 0.24 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.82 2a55 n GLY 100 N 5.42 2.78 0.00 6.18 0.00 -1.26 0.74 105.19 119.04 2a55 n GLY 100 Ca -0.09 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 1.61 2.88 -1.26 -5.01 113.62 111.84 2a55 n SER 101 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 2a55 n SER 101 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 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 1.65 -4.37 2.46 -2.24 -1.26 -4.56 114.28 105.96 2a55 n THR 102 Ca 0.00 0.41 -0.26 0.00 -2.27 0.00 0.00 64.05 61.93 2a55 n THR 102 Cb 0.00 -1.34 -0.10 0.00 -2.10 0.00 0.00 70.33 66.79 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 -2.97 2.76 -0.18 4.28 -4.23 -1.26 -2.96 115.64 111.09 2a55 s THR 103 Ca 0.02 -1.92 -0.04 0.00 -1.18 0.00 0.00 61.69 58.58 2a55 s THR 103 Cb 0.03 -2.37 0.08 0.00 1.34 0.00 0.00 72.50 71.58 2a55 s THR 103 CO 0.08 -0.16 0.22 -0.55 -0.54 0.00 0.00 174.62 173.66 2a55 s SER 104 N -2.88 1.17 0.02 3.99 0.15 -1.10 -4.92 113.70 110.12 2a55 s SER 104 Ca 0.24 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.85 2a55 s SER 104 Cb -0.08 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.59 2a55 s SER 104 CO 0.13 -0.30 0.11 -0.13 1.20 0.00 0.00 173.24 174.24 2a55 s ARG 105 N 2.33 3.10 -0.32 5.44 0.52 -1.26 -0.24 118.95 128.52 2a55 s ARG 105 Ca 0.06 -0.51 -0.13 0.00 -0.52 0.00 0.00 55.73 54.63 2a55 s ARG 105 Cb -0.15 -2.87 -0.03 0.00 0.52 0.00 0.00 34.95 32.42 2a55 s ARG 105 CO -0.11 0.63 0.24 0.00 0.02 0.00 0.00 175.30 176.08 2a55 s GLU 107 N 1.78 2.22 -0.02 0.00 2.12 -0.69 -3.00 118.70 121.11 2a55 s GLU 107 Ca 0.07 -2.22 0.00 0.00 0.36 0.00 0.00 54.97 53.19 2a55 s GLU 107 Cb -0.17 -1.78 0.03 0.00 0.26 0.00 0.00 34.13 32.47 2a55 s GLU 107 CO 0.11 -0.44 0.02 0.08 -0.54 0.00 0.00 175.26 174.49 2a55 s VAL 108 N -2.82 0.01 -0.33 3.70 1.01 -1.26 0.27 120.40 120.99 2a55 s VAL 108 Ca 0.19 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.36 2a55 s VAL 108 Cb 0.00 -0.12 0.09 0.00 0.00 0.00 0.00 36.38 36.35 2a55 s VAL 108 CO 0.11 0.10 0.03 -1.10 0.00 0.00 0.00 175.10 174.23 2a55 s GLN 109 N 0.95 1.77 3.33 2.72 -0.21 -1.21 -4.76 119.66 122.25 2a55 s GLN 109 Ca -0.08 -1.71 0.00 0.00 0.02 0.00 0.00 55.36 53.58 2a55 s GLN 109 Cb -0.12 -3.17 0.00 0.00 1.00 0.00 0.00 33.01 30.72 2a55 s GLN 109 CO -0.02 -0.85 0.00 -0.25 -2.12 0.00 0.00 175.29 172.05 2a55 n ASP 110 N 4.35 -0.90 -0.88 5.90 9.92 -1.26 -2.55 116.55 131.13 2a55 n ASP 110 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.24 2a55 n ASP 110 Cb 0.42 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 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 0.91 -3.33 -1.24 -4.01 -1.26 -4.31 116.66 103.41 2a55 n ARG 111 Ca 0.00 0.00 -0.20 0.00 -1.04 0.00 0.00 57.85 56.61 2a55 n ARG 111 Cb 0.00 -1.14 -0.08 0.00 -3.04 0.00 0.00 32.46 28.20 2a55 n ARG 111 CO 0.00 0.00 0.00 0.20 -3.04 0.00 0.00 177.63 174.79 2a55 s GLY 112 N 0.75 0.32 0.31 2.89 0.00 -1.05 -5.13 107.32 105.41 2a55 s GLY 112 Ca 0.00 -1.46 -0.24 0.00 0.00 0.00 0.00 44.72 43.02 2a55 s GLY 112 CO 0.00 2.55 0.31 1.55 0.00 0.00 0.00 173.10 177.51 2a55 n VAL 113 N 3.75 1.31 -4.41 1.40 3.14 -1.26 -3.32 118.33 118.94 2a55 n VAL 113 Ca 0.16 -0.50 -0.30 0.00 -2.96 0.00 0.00 64.34 60.75 2a55 n VAL 113 Cb 0.45 -0.03 -0.12 0.00 -1.06 0.00 0.00 33.84 33.09 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 -0.99 1.66 -0.41 7.55 0.00 0.14 -4.69 107.32 110.58 2a55 s GLY 114 Ca 0.62 -1.29 -0.20 0.00 0.00 0.00 0.00 44.72 43.84 2a55 s GLY 114 CO 0.60 -1.24 0.63 0.86 0.00 0.00 0.00 173.10 173.94 2a55 s TRP 115 N -1.08 3.09 0.26 1.90 -0.00 -1.26 -1.70 118.94 120.15 2a55 s TRP 115 Ca 0.17 0.05 -0.02 0.00 -0.00 0.00 0.00 56.10 56.29 2a55 s TRP 115 Cb -0.11 -3.27 0.42 0.00 -0.00 0.00 0.00 33.47 30.52 2a55 s TRP 115 CO 0.09 -0.79 1.85 1.03 -0.00 0.00 0.00 176.95 179.13 2a55 h SER 116 N 8.76 0.92 -3.01 5.86 0.87 -1.87 -3.44 113.55 121.64 2a55 h SER 116 Ca -0.26 0.03 0.07 0.00 -1.23 0.00 0.00 61.79 60.40 2a55 h SER 116 Cb 1.10 -0.17 -0.26 0.00 -0.44 0.00 0.00 62.40 62.63 2a55 h SER 116 CO 0.87 0.56 0.40 -2.28 -0.53 0.00 0.00 176.83 175.85 2a55 s HIS 117 N -6.02 -0.54 0.00 2.24 5.65 -1.26 -5.01 115.29 110.35 2a55 s HIS 117 Ca -0.12 1.22 0.00 0.00 0.25 0.00 0.00 55.06 56.41 2a55 s HIS 117 Cb 0.20 0.37 0.00 0.00 -1.18 0.00 0.00 32.58 31.97 2a55 s HIS 117 CO 0.80 -0.26 0.00 -0.35 -0.65 0.00 0.00 174.74 174.28 2a55 n PRO 118 N 2.77 3.36 -1.82 2.88 -0.04 -1.26 -4.71 135.00 136.18 2a55 n PRO 118 Ca -0.15 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.90 2a55 n PRO 118 Cb 0.56 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.02 2a55 n PRO 118 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2a55 s LEU 119 N 0.00 4.33 0.00 1.53 1.43 -1.26 -4.98 118.68 119.72 2a55 s LEU 119 Ca 0.00 3.02 0.00 0.00 -1.03 0.00 0.00 54.13 56.12 2a55 s LEU 119 Cb 0.00 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.56 2a55 s LEU 119 CO 0.00 -0.85 0.00 -0.81 0.23 0.00 0.00 176.35 174.92 2a55 n PRO 120 N 0.65 2.78 -3.71 1.29 -0.05 -1.26 -5.03 135.00 129.67 2a55 n PRO 120 Ca 0.02 0.00 -0.22 0.00 -0.05 0.00 0.00 63.50 63.25 2a55 n PRO 120 Cb 0.39 0.00 -0.18 0.00 -0.05 0.00 0.00 33.50 33.67 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 1.10 0.25 -0.43 0.54 0.74 0.23 -4.95 119.66 117.12 2a55 s GLN 121 Ca 0.00 0.20 -0.11 0.00 0.05 0.00 0.00 55.36 55.49 2a55 s GLN 121 Cb 0.00 -0.87 0.07 0.00 1.10 0.00 0.00 33.01 33.31 2a55 s GLN 121 CO 0.00 -0.36 0.30 0.00 -0.55 0.00 0.00 175.29 174.68 2a55 s GLU 123 N 1.51 1.27 0.65 0.00 2.56 -1.18 -4.89 118.70 118.62 2a55 s GLU 123 Ca 0.03 -1.04 -0.18 0.00 0.00 0.00 0.00 54.97 53.79 2a55 s GLU 123 Cb -0.23 -1.45 -0.01 0.00 2.00 0.00 0.00 34.13 34.44 2a55 s GLU 123 CO 0.04 0.36 1.26 -1.50 -0.56 0.00 0.00 175.26 174.86 2a55 s ILE 124 N -0.95 2.20 -0.06 -3.70 1.10 -1.26 -1.35 121.20 117.18 2a55 s ILE 124 Ca 0.07 0.12 -0.26 0.00 -0.51 0.00 0.00 60.65 60.07 2a55 s ILE 124 Cb -0.09 -2.98 -0.21 0.00 0.15 0.00 0.00 42.46 39.33 2a55 s ILE 124 CO 0.03 -0.03 1.08 -0.07 -2.11 0.00 0.00 174.94 173.84 2a55 h LEU 125 N 0.45 -0.03 0.00 8.50 3.38 -0.25 -3.46 115.31 123.90 2a55 h LEU 125 Ca -0.50 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 56.88 2a55 h LEU 125 Cb 1.32 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2a55 h LEU 125 CO 0.53 0.59 0.00 -1.84 0.09 0.00 0.00 178.44 177.81 2a55 n GLU 126 N -4.81 1.70 -2.75 1.13 0.28 -1.26 -5.12 120.64 109.82 2a55 n GLU 126 Ca -0.09 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.49 2a55 n GLU 126 Cb 0.31 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.15 2a55 n GLU 126 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2a55 s HIS 127 N -0.66 3.50 0.00 -1.84 3.76 -1.26 -4.81 115.29 113.99 2a55 s HIS 127 Ca 0.00 1.52 0.00 0.00 -0.15 0.00 0.00 55.06 56.43 2a55 s HIS 127 Cb 0.00 -3.13 0.00 0.00 1.11 0.00 0.00 32.58 30.56 2a55 s HIS 127 CO 0.00 -0.20 0.00 1.58 -0.85 0.00 0.00 174.74 175.27 2a55 n HIS 128 N 4.94 0.00 -1.37 1.40 -0.00 -1.26 -5.01 115.22 113.93 2a55 n HIS 128 Ca 0.07 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.12 2a55 n HIS 128 Cb 0.49 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.30 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 -0.04 -0.04 -1.47 1.57 8.25 -1.26 -4.69 115.22 117.54 2a55 n HIS 129 Ca 0.00 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.66 2a55 n HIS 129 Cb 0.00 -2.88 -0.05 0.00 1.12 0.00 0.00 29.99 28.17 2a55 n HIS 129 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2a55 n HIS 130 N -2.17 -3.71 -3.06 4.41 8.25 -1.26 -4.80 115.22 112.88 2a55 n HIS 130 Ca -0.13 1.87 -0.36 0.00 -0.26 0.00 0.00 57.72 58.83 2a55 n HIS 130 Cb 0.59 -3.37 -0.06 0.00 1.12 0.00 0.00 29.99 28.27 2a55 n HIS 130 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2a55 s HIS 131 N -2.45 3.66 -0.40 4.41 2.46 -1.26 -5.26 115.29 116.45 2a55 s HIS 131 Ca 0.00 1.44 0.03 0.00 0.47 0.00 0.00 55.06 57.00 2a55 s HIS 131 Cb 0.00 -2.66 0.03 0.00 -0.13 0.00 0.00 32.58 29.82 2a55 s HIS 131 CO 0.00 0.33 0.60 -2.39 -2.47 0.00 0.00 174.74 170.81