#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 6.70 0.63 7.83 -0.87 -1.26 0.16 114.94 128.13 2a55 s ASN 1 Ca 0.00 0.89 0.07 0.00 -1.57 0.00 0.00 52.86 52.25 2a55 s ASN 1 Cb 0.00 -2.21 0.11 0.00 -0.02 0.00 0.00 41.25 39.13 2a55 s ASN 1 CO 0.00 0.15 0.86 0.00 -2.57 0.00 0.00 177.10 175.55 2a55 s GLY 3 N -4.78 1.62 0.23 0.00 0.00 -1.26 -3.90 107.32 99.22 2a55 s GLY 3 Ca 0.63 -0.24 -0.27 0.00 0.00 0.00 0.00 44.72 44.83 2a55 s GLY 3 CO 0.40 0.03 0.50 -1.05 0.00 0.00 0.00 173.10 172.99 2a55 n PRO 4 N -2.71 0.07 -1.75 2.90 -0.02 -1.22 -4.77 135.00 127.49 2a55 n PRO 4 Ca 0.05 0.02 -0.43 0.00 -2.02 0.00 0.00 63.50 61.13 2a55 n PRO 4 Cb 0.55 -1.04 -0.03 0.00 -0.02 0.00 0.00 33.50 32.96 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 -1.03 3.26 0.54 0.52 0.02 -1.26 -4.97 135.00 132.07 2a55 s PRO 5 Ca 0.63 1.86 -0.09 0.00 0.02 0.00 0.00 61.00 63.42 2a55 s PRO 5 Cb -0.89 -4.30 0.13 0.00 0.02 0.00 0.00 34.50 29.47 2a55 s PRO 5 CO 0.57 -1.95 0.30 -0.35 -0.33 0.00 0.00 177.00 175.24 2a55 n PRO 6 N 8.56 -2.51 -2.69 5.54 -0.04 -1.26 -4.91 135.00 137.69 2a55 n PRO 6 Ca 0.27 -0.50 -0.41 0.00 -0.04 0.00 0.00 63.50 62.82 2a55 n PRO 6 Cb 0.45 -0.71 0.02 0.00 -0.04 0.00 0.00 33.50 33.22 2a55 n PRO 6 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2a55 n THR 7 N -3.91 5.91 -1.71 0.52 5.66 -1.26 -5.02 114.28 114.46 2a55 n THR 7 Ca 0.05 -5.97 -0.61 0.00 -3.05 0.00 0.00 64.05 54.48 2a55 n THR 7 Cb 0.21 -1.60 -0.08 0.00 -1.55 0.00 0.00 70.33 67.31 2a55 n THR 7 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2a55 n LEU 8 N 0.07 1.94 -0.18 1.09 4.32 -1.26 -4.81 117.00 118.17 2a55 n LEU 8 Ca 0.44 1.11 -0.05 0.00 -0.02 0.00 0.00 56.01 57.50 2a55 n LEU 8 Cb 0.27 -1.06 0.05 0.00 -1.62 0.00 0.00 43.42 41.06 2a55 n LEU 8 CO 0.53 -0.62 1.06 0.77 -1.22 0.00 0.00 177.39 177.92 2a55 h SER 9 N 6.33 0.50 0.06 -1.43 4.64 -2.00 -1.45 113.55 120.19 2a55 h SER 9 Ca -0.46 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2a55 h SER 9 Cb 1.34 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2a55 h SER 9 CO 0.95 0.35 0.00 0.49 -0.87 0.00 0.00 176.83 177.75 2a55 n PHE 10 N -4.80 0.00 -3.69 4.77 3.72 -1.26 -4.76 117.46 111.44 2a55 n PHE 10 Ca 0.04 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.34 2a55 n PHE 10 Cb 0.09 -0.08 -0.04 0.00 -0.94 0.00 0.00 39.48 38.51 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2a55 s ALA 11 N -2.17 -0.97 0.25 4.37 0.00 -0.55 -4.44 121.76 118.26 2a55 s ALA 11 Ca 0.16 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.01 2a55 s ALA 11 Cb 0.08 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 23.97 2a55 s ALA 11 CO 0.15 -0.76 0.05 0.00 0.00 0.00 0.00 175.76 175.20 2a55 s ALA 12 N -3.85 1.82 0.53 0.00 0.00 -0.99 -4.25 121.76 115.02 2a55 s ALA 12 Ca 0.07 -1.85 -0.21 0.00 0.00 0.00 0.00 51.96 49.98 2a55 s ALA 12 Cb -0.00 0.78 -0.06 0.00 0.00 0.00 0.00 23.12 23.85 2a55 s ALA 12 CO -0.06 -0.36 1.20 -1.25 0.00 0.00 0.00 175.76 175.29 2a55 s PRO 13 N -3.95 3.35 0.00 0.00 0.04 -1.26 -1.74 135.00 131.44 2a55 s PRO 13 Ca 0.34 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2a55 s PRO 13 Cb 0.07 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2a55 s PRO 13 CO 0.12 -0.90 0.00 -0.12 0.04 0.00 0.00 177.00 176.13 2a55 n MET 14 N -1.05 0.00 -0.73 4.56 1.56 -1.26 -4.70 117.12 115.49 2a55 n MET 14 Ca 0.10 0.00 -0.04 0.00 -0.27 0.00 0.00 57.70 57.50 2a55 n MET 14 Cb 0.49 -0.39 -0.04 0.00 2.15 0.00 0.00 33.22 35.43 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 -2.49 -0.54 0.00 6.12 2.03 -1.26 -4.93 116.55 115.48 2a55 n ASP 15 Ca 0.00 -1.27 0.03 0.00 0.52 0.00 0.00 54.79 54.08 2a55 n ASP 15 Cb 0.23 0.16 0.21 0.00 -0.72 0.00 0.00 41.12 41.00 2a55 n ASP 15 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2a55 n ILE 16 N 0.00 0.00 -3.20 5.18 -5.35 -1.26 -4.91 119.36 109.82 2a55 n ILE 16 Ca -0.15 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 61.99 2a55 n ILE 16 Cb 0.52 -0.22 0.03 0.00 -1.74 0.00 0.00 39.64 38.23 2a55 n ILE 16 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2a55 n THR 17 N -0.63 -3.27 -2.05 7.28 -2.24 -1.26 -4.68 114.28 107.43 2a55 n THR 17 Ca 0.05 0.06 -0.27 0.00 -2.27 0.00 0.00 64.05 61.62 2a55 n THR 17 Cb 0.02 -2.99 -0.06 0.00 -2.10 0.00 0.00 70.33 65.21 2a55 n THR 17 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2a55 s LEU 18 N -2.26 3.07 0.00 3.22 1.02 -1.26 -4.21 118.68 118.26 2a55 s LEU 18 Ca 0.32 -1.33 0.00 0.00 0.02 0.00 0.00 54.13 53.13 2a55 s LEU 18 Cb -0.03 -2.58 0.00 0.00 0.02 0.00 0.00 46.19 43.60 2a55 s LEU 18 CO 0.76 -3.02 0.00 0.35 0.02 0.00 0.00 176.35 174.46 2a55 n THR 19 N 7.86 0.00 -2.97 5.49 -2.24 -1.26 -5.08 114.28 116.07 2a55 n THR 19 Ca 0.43 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 2a55 n THR 19 Cb 0.47 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 2a55 n THR 19 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2a55 n GLU 20 N -0.39 2.21 0.00 -0.78 0.28 -1.26 -5.09 120.64 115.61 2a55 n GLU 20 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2a55 n GLU 20 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2a55 n GLU 20 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2a55 n THR 21 N -0.36 0.00 -4.52 3.84 -2.24 -1.26 -5.07 114.28 104.66 2a55 n THR 21 Ca 0.00 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 2a55 n THR 21 Cb 0.00 -0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 67.77 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 -1.47 1.80 -0.18 -0.78 0.52 -1.26 -3.45 118.95 114.12 2a55 s ARG 22 Ca 0.00 -1.90 -0.04 0.00 -0.52 0.00 0.00 55.73 53.27 2a55 s ARG 22 Cb 0.00 -1.73 0.09 0.00 0.52 0.00 0.00 34.95 33.83 2a55 s ARG 22 CO 0.00 0.18 0.30 -0.06 0.02 0.00 0.00 175.30 175.74 2a55 s PHE 23 N -2.58 -0.53 1.17 -0.53 0.40 -1.25 -4.95 117.98 109.70 2a55 s PHE 23 Ca 0.32 0.82 -0.16 0.00 -0.60 0.00 0.00 56.93 57.31 2a55 s PHE 23 Cb 0.01 -0.06 0.20 0.00 0.51 0.00 0.00 43.02 43.68 2a55 s PHE 23 CO 0.16 -0.52 0.47 0.36 0.70 0.00 0.00 175.22 176.40 2a55 n LYS 24 N 5.35 -2.18 0.00 0.44 2.85 -1.26 -1.42 118.16 121.94 2a55 n LYS 24 Ca -0.06 -0.62 0.10 0.00 -1.05 0.00 0.00 58.31 56.69 2a55 n LYS 24 Cb 0.50 -1.91 0.59 0.00 -0.65 0.00 0.00 35.03 33.56 2a55 n LYS 24 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2a55 n THR 25 N -4.76 0.07 0.62 0.58 -2.24 0.12 -2.04 114.28 106.63 2a55 n THR 25 Ca 0.01 0.02 0.08 0.00 -2.27 0.00 0.00 64.05 61.89 2a55 n THR 25 Cb 0.58 -0.69 -0.11 0.00 -2.10 0.00 0.00 70.33 68.01 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 0.31 -0.67 3.57 3.38 0.00 -1.26 -4.33 105.19 106.19 2a55 n GLY 26 Ca 0.14 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.77 1.74 -0.29 2.61 -1.32 -0.87 -4.99 115.64 109.76 2a55 s THR 27 Ca 0.03 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.36 2a55 s THR 27 Cb 0.13 -2.38 0.12 0.00 -1.51 0.00 0.00 72.50 68.86 2a55 s THR 27 CO 0.71 0.00 0.84 -0.89 -2.21 0.00 0.00 174.62 173.07 2a55 s THR 28 N -2.83 -0.19 0.00 5.08 2.01 -1.25 -4.25 115.64 114.21 2a55 s THR 28 Ca 0.68 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.68 2a55 s THR 28 Cb -0.15 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.36 2a55 s THR 28 CO 0.58 0.00 0.00 0.18 -0.69 0.00 0.00 174.62 174.69 2a55 n LEU 29 N 4.30 0.00 0.00 4.42 7.99 0.09 -4.91 117.00 128.89 2a55 n LEU 29 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.83 2a55 n LEU 29 Cb 0.56 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.87 2a55 n LEU 29 CO -0.01 -0.25 0.00 1.17 -1.51 0.00 0.00 177.39 176.79 2a55 n LYS 30 N -0.51 0.00 -1.48 3.23 3.00 -1.26 -4.39 118.16 116.75 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 -1.44 -4.07 -4.32 5.64 4.02 -1.25 -4.31 117.16 111.42 2a55 n TYR 31 Ca 0.00 2.17 -0.28 0.00 -0.01 0.00 0.00 57.90 59.78 2a55 n TYR 31 Cb 0.00 -3.34 -0.10 0.00 -0.02 0.00 0.00 39.34 35.88 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 -3.17 2.95 -0.26 -0.72 -1.32 -0.71 -4.88 115.64 107.53 2a55 s THR 32 Ca 0.00 -1.68 -0.09 0.00 -1.21 0.00 0.00 61.69 58.71 2a55 s THR 32 Cb 0.00 -2.42 -0.04 0.00 -1.51 0.00 0.00 72.50 68.53 2a55 s THR 32 CO 0.00 -0.05 0.13 0.00 -2.21 0.00 0.00 174.62 172.49 2a55 n LEU 34 N 4.98 -0.62 0.00 0.00 4.77 -1.26 -4.88 117.00 119.99 2a55 n LEU 34 Ca -0.15 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2a55 n LEU 34 Cb 0.52 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 2a55 n LEU 34 CO 0.32 -3.69 0.06 -2.65 -1.33 0.00 0.00 177.39 170.10 2a55 n PRO 35 N -0.02 0.00 0.05 3.23 -0.02 -1.26 -2.35 135.00 134.63 2a55 n PRO 35 Ca 0.09 0.12 0.13 0.00 -2.02 0.00 0.00 63.50 61.82 2a55 n PRO 35 Cb 0.50 -0.30 0.37 0.00 -0.02 0.00 0.00 33.50 34.05 2a55 n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a55 n GLY 36 N -0.47 -1.51 0.92 -1.23 0.00 -1.26 -4.92 105.19 96.73 2a55 n GLY 36 Ca 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 2a55 n GLY 36 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2a55 n TYR 37 N -1.92 0.10 -0.89 1.61 4.19 -0.99 -4.68 117.16 114.58 2a55 n TYR 37 Ca 0.05 0.07 -0.35 0.00 3.31 0.00 0.00 57.90 60.98 2a55 n TYR 37 Cb 0.40 -0.47 0.08 0.00 0.49 0.00 0.00 39.34 39.84 2a55 n TYR 37 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 2a55 n VAL 38 N 1.81 0.00 -3.79 2.97 0.31 -1.26 -4.42 118.33 113.95 2a55 n VAL 38 Ca 0.18 -0.29 -0.11 0.00 -0.01 0.00 0.00 64.34 64.10 2a55 n VAL 38 Cb 0.02 -0.27 -0.08 0.00 -0.91 0.00 0.00 33.84 32.60 2a55 n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2a55 s ARG 39 N -2.69 0.74 -0.01 5.55 1.04 -1.26 0.19 118.95 122.52 2a55 s ARG 39 Ca 0.47 -0.49 0.05 0.00 -1.04 0.00 0.00 55.73 54.71 2a55 s ARG 39 Cb -0.13 0.32 -0.07 0.00 -2.04 0.00 0.00 34.95 33.02 2a55 s ARG 39 CO 0.73 -0.23 0.12 0.45 -0.04 0.00 0.00 175.30 176.34 2a55 n SER 40 N 0.74 3.40 0.00 -2.89 2.88 -1.19 -4.94 113.62 111.62 2a55 n SER 40 Ca -0.19 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 2a55 n SER 40 Cb 0.59 1.20 0.00 0.00 -0.75 0.00 0.00 64.21 65.24 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 -1.60 0.00 0.00 0.66 8.25 0.10 -4.95 115.22 117.68 2a55 n HIS 41 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2a55 n HIS 41 Cb 0.12 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 0.00 0.00 -3.33 0.41 2.88 -1.21 -4.93 113.62 107.45 2a55 n SER 42 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 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 0.41 -1.23 0.00 0.00 175.04 174.22 2a55 n THR 43 N 0.00 1.49 -3.65 2.46 -1.04 -1.26 -4.28 114.28 107.99 2a55 n THR 43 Ca 0.00 -0.37 -0.29 0.00 -2.04 0.00 0.00 64.05 61.35 2a55 n THR 43 Cb 0.00 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.39 2a55 n THR 43 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2a55 s GLN 44 N -0.74 1.24 -0.17 -2.82 0.74 -1.26 -3.64 119.66 113.02 2a55 s GLN 44 Ca 0.49 -2.05 -0.13 0.00 0.05 0.00 0.00 55.36 53.71 2a55 s GLN 44 Cb -0.71 -2.16 0.05 0.00 1.10 0.00 0.00 33.01 31.29 2a55 s GLN 44 CO 0.42 -1.21 0.43 0.95 -0.55 0.00 0.00 175.29 175.33 2a55 s THR 45 N 0.24 -0.01 -0.18 -0.34 -4.23 -1.26 -4.64 115.64 105.22 2a55 s THR 45 Ca 0.20 0.03 -0.07 0.00 -1.18 0.00 0.00 61.69 60.68 2a55 s THR 45 Cb -0.18 -0.61 -0.04 0.00 1.34 0.00 0.00 72.50 73.01 2a55 s THR 45 CO -0.04 0.01 0.04 -0.76 -0.54 0.00 0.00 174.62 173.33 2a55 s LEU 46 N 0.62 3.68 -0.01 4.79 1.02 -1.26 -4.73 118.68 122.79 2a55 s LEU 46 Ca -0.03 0.03 0.03 0.00 0.02 0.00 0.00 54.13 54.18 2a55 s LEU 46 Cb -0.05 -1.92 -0.00 0.00 0.02 0.00 0.00 46.19 44.24 2a55 s LEU 46 CO -0.04 0.17 -0.10 -0.89 0.02 0.00 0.00 176.35 175.51 2a55 s THR 47 N 0.37 0.81 -0.22 5.49 2.01 -1.25 -0.73 115.64 122.12 2a55 s THR 47 Ca 0.01 -0.42 -0.29 0.00 0.31 0.00 0.00 61.69 61.31 2a55 s THR 47 Cb -0.13 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 2a55 s THR 47 CO 0.01 0.23 1.93 0.00 -0.69 0.00 0.00 174.62 176.10 2a55 s ASN 49 N 6.21 5.77 -0.39 0.00 2.20 -0.32 -4.30 114.94 124.11 2a55 s ASN 49 Ca 0.86 0.75 -0.04 0.00 -0.94 0.00 0.00 52.86 53.49 2a55 s ASN 49 Cb -0.29 -1.83 0.02 0.00 -2.00 0.00 0.00 41.25 37.15 2a55 s ASN 49 CO 0.34 -0.93 2.86 -0.24 -2.94 0.00 0.00 177.10 176.20 2a55 n SER 50 N -2.48 6.31 0.00 3.54 2.88 -1.26 -3.73 113.62 118.88 2a55 n SER 50 Ca 0.03 -3.11 0.00 0.00 -1.33 0.00 0.00 58.87 54.47 2a55 n SER 50 Cb 0.57 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 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 1.07 2.89 0.00 -3.46 8.00 -1.26 -5.03 116.55 118.76 2a55 n ASP 51 Ca 0.48 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.98 2a55 n ASP 51 Cb 0.60 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 2a55 n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a55 n GLY 52 N 2.82 -0.74 0.00 0.44 0.00 -1.24 -5.12 105.19 101.35 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 -3.68 1.61 0.28 -1.26 -4.45 120.64 113.14 2a55 n GLU 53 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.63 2a55 n GLU 53 Cb 0.00 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 32.75 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 -0.80 3.15 0.13 -1.84 0.52 -1.26 -1.17 118.94 117.67 2a55 s TRP 54 Ca 0.00 -0.23 0.02 0.00 0.02 0.00 0.00 56.10 55.91 2a55 s TRP 54 Cb 0.00 -2.31 -0.04 0.00 -1.15 0.00 0.00 33.47 29.97 2a55 s TRP 54 CO 0.00 -0.30 0.27 0.08 0.02 0.00 0.00 176.95 177.03 2a55 s VAL 55 N 1.67 5.34 0.00 4.03 1.01 -1.16 -4.94 120.40 126.35 2a55 s VAL 55 Ca 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.42 2a55 s VAL 55 Cb -0.16 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2a55 s VAL 55 CO 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 175.10 175.12 2a55 n TYR 56 N -0.40 0.00 -2.10 5.22 0.18 -1.26 -3.74 117.16 115.06 2a55 n TYR 56 Ca -0.07 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.44 2a55 n TYR 56 Cb 0.53 0.00 0.10 0.00 -0.38 0.00 0.00 39.34 39.59 2a55 n TYR 56 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2a55 s ASN 57 N 0.00 4.36 -1.14 9.48 4.22 -1.26 -4.98 114.94 125.62 2a55 s ASN 57 Ca 0.00 0.44 -0.17 0.00 -2.14 0.00 0.00 52.86 50.99 2a55 s ASN 57 Cb 0.00 -0.90 0.13 0.00 1.28 0.00 0.00 41.25 41.76 2a55 s ASN 57 CO 0.00 -1.93 1.41 -0.89 -2.04 0.00 0.00 177.10 173.65 2a55 s THR 58 N -3.45 4.69 0.36 0.54 2.01 -1.26 -4.81 115.64 113.72 2a55 s THR 58 Ca 0.64 -2.07 0.05 0.00 0.31 0.00 0.00 61.69 60.62 2a55 s THR 58 Cb -0.09 -4.94 0.21 0.00 0.01 0.00 0.00 72.50 67.68 2a55 s THR 58 CO 0.47 -1.69 1.95 2.19 -0.69 0.00 0.00 174.62 176.86 2a55 h PHE 59 N 7.90 0.55 -3.65 4.92 -0.00 -1.74 0.32 116.94 125.24 2a55 h PHE 59 Ca 0.29 -0.02 -0.14 0.00 -0.00 0.00 0.00 57.97 58.10 2a55 h PHE 59 Cb 0.92 -0.17 -0.06 0.00 -0.00 0.00 0.00 35.95 36.64 2a55 h PHE 59 CO 1.19 0.45 -0.02 0.00 -0.00 0.00 0.00 178.31 179.93 2a55 n ILE 61 N -0.51 0.00 -1.54 0.00 -5.35 0.52 -4.74 119.36 107.73 2a55 n ILE 61 Ca -0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 2a55 n ILE 61 Cb 0.61 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 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 -1.48 -2.82 -3.15 4.28 4.19 -1.16 -4.76 117.16 112.26 2a55 n TYR 62 Ca 0.00 1.69 0.04 0.00 3.31 0.00 0.00 57.90 62.94 2a55 n TYR 62 Cb 0.00 -3.01 -0.01 0.00 0.49 0.00 0.00 39.34 36.81 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 -1.48 0.46 0.16 2.98 -2.85 -1.26 -4.80 119.74 112.96 2a55 s LYS 63 Ca 0.00 0.81 0.02 0.00 -1.00 0.00 0.00 55.97 55.80 2a55 s LYS 63 Cb 0.00 0.44 0.03 0.00 -2.06 0.00 0.00 37.83 36.24 2a55 s LYS 63 CO 0.00 -0.52 0.23 2.89 0.10 0.00 0.00 175.35 178.04 2a55 n ARG 64 N 5.44 0.82 -4.42 1.78 0.00 -1.26 -1.66 116.66 117.37 2a55 n ARG 64 Ca -0.02 -0.83 -0.24 0.00 -0.00 0.00 0.00 57.85 56.75 2a55 n ARG 64 Cb 0.52 -0.08 -0.10 0.00 -0.00 0.00 0.00 32.46 32.80 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 -3.40 4.21 -0.13 0.00 3.00 -1.26 -4.88 118.95 116.48 2a55 s ARG 66 Ca 0.29 2.42 -0.29 0.00 -1.00 0.00 0.00 55.73 57.15 2a55 s ARG 66 Cb -0.06 -3.01 -0.05 0.00 0.00 0.00 0.00 34.95 31.83 2a55 s ARG 66 CO 0.15 -0.39 1.90 -1.01 0.00 0.00 0.00 175.30 175.96 2a55 s HIS 67 N -1.13 1.57 0.63 5.12 3.76 -1.26 -4.82 115.29 119.16 2a55 s HIS 67 Ca 0.51 0.21 0.26 0.00 -0.15 0.00 0.00 55.06 55.89 2a55 s HIS 67 Cb -0.44 -4.05 1.32 0.00 1.11 0.00 0.00 32.58 30.52 2a55 s HIS 67 CO 0.59 -4.13 1.75 -1.00 -0.85 0.00 0.00 174.74 171.09 2a55 h PRO 68 N 11.92 0.00 0.00 8.40 0.13 -1.97 -3.46 132.00 147.01 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 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2a55 h PRO 68 CO 0.97 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.15 2a55 n GLY 69 N -1.41 1.48 2.41 1.56 0.00 -1.26 -4.72 105.19 103.24 2a55 n GLY 69 Ca 0.04 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 2a55 n GLY 69 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2a55 n GLU 70 N 1.48 0.00 -3.23 1.61 2.13 -1.26 -4.83 120.64 116.53 2a55 n GLU 70 Ca 0.00 0.00 -0.45 0.00 0.66 0.00 0.00 57.16 57.37 2a55 n GLU 70 Cb 0.00 -0.71 -0.05 0.00 0.27 0.00 0.00 31.44 30.94 2a55 n GLU 70 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2a55 s LEU 71 N 2.42 5.77 0.07 4.31 0.20 -1.26 -5.00 118.68 125.19 2a55 s LEU 71 Ca 0.45 -1.56 -0.31 0.00 0.69 0.00 0.00 54.13 53.40 2a55 s LEU 71 Cb -0.60 -2.26 -0.09 0.00 -0.43 0.00 0.00 46.19 42.81 2a55 s LEU 71 CO 0.41 -0.94 1.76 -0.60 -0.29 0.00 0.00 176.35 176.70 2a55 s ARG 72 N 2.07 4.17 -1.24 1.98 3.52 -1.26 -0.32 118.95 127.86 2a55 s ARG 72 Ca 0.07 2.45 -0.04 0.00 -0.13 0.00 0.00 55.73 58.07 2a55 s ARG 72 Cb -0.27 -3.74 0.00 0.00 -1.56 0.00 0.00 34.95 29.39 2a55 s ARG 72 CO 0.05 -0.82 1.06 0.09 -0.81 0.00 0.00 175.30 174.87 2a55 n ASN 73 N 6.13 -4.21 -3.55 -2.12 3.02 -1.26 -4.67 115.26 108.60 2a55 n ASN 73 Ca 0.17 -0.56 -0.02 0.00 -0.03 0.00 0.00 54.58 54.15 2a55 n ASN 73 Cb 0.40 -4.92 0.01 0.00 -0.61 0.00 0.00 39.78 34.66 2a55 n ASN 73 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2a55 s GLY 74 N -3.79 -0.08 -0.02 7.41 0.00 0.56 -2.78 107.32 108.62 2a55 s GLY 74 Ca 0.29 -0.03 0.02 0.00 0.00 0.00 0.00 44.72 45.01 2a55 s GLY 74 CO 0.70 1.96 -0.07 1.62 0.00 0.00 0.00 173.10 177.32 2a55 s GLN 75 N -2.44 0.75 -0.42 2.90 0.74 0.61 -4.41 119.66 117.40 2a55 s GLN 75 Ca 0.20 -0.21 -0.13 0.00 0.05 0.00 0.00 55.36 55.27 2a55 s GLN 75 Cb -0.01 -0.73 0.05 0.00 1.10 0.00 0.00 33.01 33.42 2a55 s GLN 75 CO 0.02 0.06 0.29 0.08 -0.55 0.00 0.00 175.29 175.19 2a55 s VAL 76 N 0.31 4.86 -1.08 1.34 1.01 -1.26 -0.18 120.40 125.40 2a55 s VAL 76 Ca -0.04 -0.96 -0.25 0.00 0.00 0.00 0.00 61.98 60.73 2a55 s VAL 76 Cb -0.08 -3.81 -0.14 0.00 0.00 0.00 0.00 36.38 32.35 2a55 s VAL 76 CO 0.00 -0.40 2.04 -0.70 0.00 0.00 0.00 175.10 176.05 2a55 s GLU 77 N 1.59 1.96 -0.20 2.72 2.12 -0.19 -4.90 118.70 121.79 2a55 s GLU 77 Ca 0.03 -0.65 -0.08 0.00 0.36 0.00 0.00 54.97 54.64 2a55 s GLU 77 Cb -0.21 -5.09 -0.04 0.00 0.26 0.00 0.00 34.13 29.05 2a55 s GLU 77 CO 0.07 -4.49 0.07 0.42 -0.54 0.00 0.00 175.26 170.79 2a55 s ILE 78 N 13.35 4.74 0.00 -3.70 1.09 -1.26 -4.32 121.20 131.10 2a55 s ILE 78 Ca 0.75 -0.05 0.00 0.00 -1.10 0.00 0.00 60.65 60.26 2a55 s ILE 78 Cb -0.04 -3.16 0.00 0.00 -1.06 0.00 0.00 42.46 38.20 2a55 s ILE 78 CO 0.13 0.42 0.00 2.29 -0.10 0.00 0.00 174.94 177.68 2a55 n LYS 79 N 3.91 0.00 -0.05 2.79 0.00 -1.26 -4.89 118.16 118.67 2a55 n LYS 79 Ca -0.16 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.16 2a55 n LYS 79 Cb 0.52 -0.01 0.03 0.00 -0.00 0.00 0.00 35.03 35.57 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 -2.26 0.14 -0.90 0.58 -2.24 -1.26 -4.81 114.28 103.53 2a55 n THR 80 Ca 0.00 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2a55 n THR 80 Cb 0.00 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 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 -0.18 -3.80 -2.53 3.42 8.00 -1.26 -2.76 116.55 117.44 2a55 n ASP 81 Ca 0.02 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.43 2a55 n ASP 81 Cb 0.16 -2.49 0.04 0.00 -0.02 0.00 0.00 41.12 38.81 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 -4.02 -4.71 0.64 4.32 -1.26 -4.53 117.00 107.44 2a55 n LEU 82 Ca 0.00 -0.41 -0.41 0.00 -0.02 0.00 0.00 56.01 55.16 2a55 n LEU 82 Cb 0.27 -2.11 -0.04 0.00 -1.62 0.00 0.00 43.42 39.92 2a55 n LEU 82 CO 0.00 0.09 0.59 -0.44 -1.22 0.00 0.00 177.39 176.41 2a55 s SER 83 N -3.32 7.20 0.20 -1.43 0.01 -1.11 -2.72 113.70 112.52 2a55 s SER 83 Ca 0.23 1.46 -0.29 0.00 1.31 0.00 0.00 55.95 58.66 2a55 s SER 83 Cb -0.03 -2.51 -0.17 0.00 0.21 0.00 0.00 66.02 63.52 2a55 s SER 83 CO 0.44 -0.24 0.60 0.33 0.41 0.00 0.00 173.24 174.77 2a55 n PHE 84 N 4.07 -0.27 -1.14 2.43 7.35 -0.66 -3.76 117.46 125.47 2a55 n PHE 84 Ca 0.04 0.95 0.00 0.00 -0.76 0.00 0.00 57.45 57.68 2a55 n PHE 84 Cb 0.51 -1.99 0.00 0.00 0.35 0.00 0.00 39.48 38.34 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 1.91 0.50 0.00 7.13 0.00 -1.13 -4.66 105.19 108.95 2a55 n GLY 85 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2a55 n GLY 85 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2a55 n SER 86 N -0.46 0.48 0.00 1.61 2.88 -1.25 -5.04 113.62 111.84 2a55 n SER 86 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2a55 n SER 86 Cb 0.28 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 2a55 n SER 86 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a55 n GLN 87 N 0.00 0.00 -3.77 -1.46 -0.00 -1.26 -3.79 117.38 107.11 2a55 n GLN 87 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.00 56.71 2a55 n GLN 87 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 30.24 30.11 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 1.76 1.11 -0.39 -4.36 -0.77 -4.92 121.20 111.63 2a55 s ILE 88 Ca 0.00 -2.87 -0.20 0.00 -0.26 0.00 0.00 60.65 57.32 2a55 s ILE 88 Cb 0.00 -2.22 0.07 0.00 1.25 0.00 0.00 42.46 41.55 2a55 s ILE 88 CO 0.00 -0.89 -0.22 -0.62 0.24 0.00 0.00 174.94 173.45 2a55 n GLU 89 N 3.30 -1.44 -4.66 0.37 1.02 -1.26 -4.22 120.64 113.75 2a55 n GLU 89 Ca 0.09 -0.41 -0.30 0.00 -0.02 0.00 0.00 57.16 56.52 2a55 n GLU 89 Cb 0.34 -1.59 -0.08 0.00 -0.02 0.00 0.00 31.44 30.10 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 -2.19 1.82 -0.29 -0.32 0.40 -0.65 -1.03 117.98 115.72 2a55 s PHE 90 Ca 0.53 -1.11 -0.01 0.00 -0.60 0.00 0.00 56.93 55.74 2a55 s PHE 90 Cb -0.08 -1.41 0.18 0.00 0.51 0.00 0.00 43.02 42.21 2a55 s PHE 90 CO 0.65 -0.01 0.56 -1.12 0.70 0.00 0.00 175.22 176.00 2a55 s SER 91 N -3.77 -1.08 -0.24 1.36 0.01 0.75 -4.88 113.70 105.86 2a55 s SER 91 Ca 0.13 0.75 -0.27 0.00 1.31 0.00 0.00 55.95 57.87 2a55 s SER 91 Cb 0.02 1.97 0.00 0.00 0.21 0.00 0.00 66.02 68.22 2a55 s SER 91 CO 0.08 -0.27 0.94 0.00 0.41 0.00 0.00 173.24 174.40 2a55 n SER 93 N 6.18 -2.49 -4.39 0.00 7.64 -1.12 -4.62 113.62 114.82 2a55 n SER 93 Ca 0.09 -0.10 -0.39 0.00 1.01 0.00 0.00 58.87 59.48 2a55 n SER 93 Cb 0.47 -0.88 0.03 0.00 -1.01 0.00 0.00 64.21 62.81 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 -1.31 0.35 0.00 1.43 4.07 -1.26 -1.34 120.64 122.58 2a55 n GLU 94 Ca 0.00 0.13 0.00 0.00 -0.06 0.00 0.00 57.16 57.24 2a55 n GLU 94 Cb 0.65 -1.45 0.00 0.00 -0.06 0.00 0.00 31.44 30.58 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 2.02 1.55 3.54 8.31 0.00 -1.26 -4.92 105.19 114.42 2a55 n GLY 95 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 2a55 n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a55 s PHE 96 N 0.00 2.97 0.44 1.61 0.08 -0.45 -0.19 117.98 122.43 2a55 s PHE 96 Ca 0.00 -0.15 0.07 0.00 0.12 0.00 0.00 56.93 56.98 2a55 s PHE 96 Cb 0.00 -1.81 -0.02 0.00 -0.57 0.00 0.00 43.02 40.62 2a55 s PHE 96 CO 0.00 0.16 0.36 -0.59 -0.10 0.00 0.00 175.22 175.05 2a55 s PHE 97 N -0.29 2.53 0.09 0.36 -0.71 -0.65 -3.93 117.98 115.37 2a55 s PHE 97 Ca 0.04 -0.56 -0.24 0.00 -1.04 0.00 0.00 56.93 55.13 2a55 s PHE 97 Cb -0.13 -2.11 -0.06 0.00 -1.21 0.00 0.00 43.02 39.51 2a55 s PHE 97 CO 0.02 -0.14 0.75 -1.17 -1.34 0.00 0.00 175.22 173.34 2a55 s LEU 98 N -4.13 4.51 -0.28 -1.99 1.98 -1.26 -3.13 118.68 114.39 2a55 s LEU 98 Ca 0.46 1.50 -0.00 0.00 -2.89 0.00 0.00 54.13 53.19 2a55 s LEU 98 Cb -0.02 -3.22 0.17 0.00 0.66 0.00 0.00 46.19 43.78 2a55 s LEU 98 CO 0.26 0.11 0.50 -0.63 -1.89 0.00 0.00 176.35 174.71 2a55 s ILE 99 N -0.54 -0.83 0.00 6.68 1.01 -0.95 -4.96 121.20 121.62 2a55 s ILE 99 Ca 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.95 2a55 s ILE 99 Cb -0.21 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.32 2a55 s ILE 99 CO 0.24 -0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.71 2a55 n GLY 100 N 5.40 1.36 0.00 6.18 0.00 -1.26 -0.89 105.19 115.97 2a55 n GLY 100 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2a55 n SER 101 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 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 1.89 -4.48 2.46 -2.24 -1.26 -4.56 114.28 106.09 2a55 n THR 102 Ca 0.00 0.47 -0.25 0.00 -2.27 0.00 0.00 64.05 62.01 2a55 n THR 102 Cb 0.00 -1.46 -0.10 0.00 -2.10 0.00 0.00 70.33 66.67 2a55 n THR 102 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2a55 s THR 103 N -2.98 2.44 -0.19 4.28 2.01 -1.26 -1.64 115.64 118.30 2a55 s THR 103 Ca 0.00 -2.33 -0.04 0.00 0.31 0.00 0.00 61.69 59.63 2a55 s THR 103 Cb 0.01 -2.42 0.10 0.00 0.01 0.00 0.00 72.50 70.19 2a55 s THR 103 CO 0.02 -0.34 0.32 -0.94 -0.69 0.00 0.00 174.62 172.99 2a55 s SER 104 N -3.55 0.36 0.01 3.53 1.04 -1.26 -4.94 113.70 108.91 2a55 s SER 104 Ca 0.31 0.43 -0.12 0.00 0.48 0.00 0.00 55.95 57.04 2a55 s SER 104 Cb -0.03 0.91 -0.06 0.00 0.10 0.00 0.00 66.02 66.95 2a55 s SER 104 CO 0.16 -0.27 0.38 -0.13 0.98 0.00 0.00 173.24 174.36 2a55 s ARG 105 N 2.48 3.82 -0.34 4.02 0.52 -1.26 -1.84 118.95 126.36 2a55 s ARG 105 Ca 0.05 0.28 -0.13 0.00 -0.52 0.00 0.00 55.73 55.41 2a55 s ARG 105 Cb -0.14 -3.15 -0.02 0.00 0.52 0.00 0.00 34.95 32.17 2a55 s ARG 105 CO -0.12 0.66 0.28 0.00 0.02 0.00 0.00 175.30 176.13 2a55 n GLU 107 N 5.19 1.04 -3.90 0.00 4.07 -0.47 -2.83 120.64 123.74 2a55 n GLU 107 Ca -0.12 -2.83 -0.16 0.00 -0.06 0.00 0.00 57.16 53.99 2a55 n GLU 107 Cb 0.50 0.72 -0.16 0.00 -0.06 0.00 0.00 31.44 32.43 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 -2.38 0.13 -0.25 6.31 1.01 -1.26 0.13 120.40 124.09 2a55 s VAL 108 Ca 0.02 0.10 0.11 0.00 0.00 0.00 0.00 61.98 62.21 2a55 s VAL 108 Cb -0.00 -0.23 0.47 0.00 0.00 0.00 0.00 36.38 36.62 2a55 s VAL 108 CO 0.01 0.13 1.37 0.00 0.00 0.00 0.00 175.10 176.62 2a55 n GLN 109 N 4.10 1.82 0.00 2.72 6.02 -1.26 -4.74 117.38 126.04 2a55 n GLN 109 Ca -0.27 -3.15 0.00 0.00 -0.01 0.00 0.00 57.00 53.57 2a55 n GLN 109 Cb 0.51 -1.74 0.00 0.00 1.02 0.00 0.00 30.24 30.02 2a55 n GLN 109 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2a55 n ASP 110 N -1.10 0.00 0.00 1.08 2.03 -1.26 -4.95 116.55 112.36 2a55 n ASP 110 Ca 0.27 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.58 2a55 n ASP 110 Cb 0.90 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.30 2a55 n ASP 110 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2a55 n ARG 111 N 0.00 0.00 -0.39 -0.67 1.85 -1.26 -4.84 116.66 111.35 2a55 n ARG 111 Ca 0.00 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 56.93 2a55 n ARG 111 Cb 0.00 -0.20 0.24 0.00 -1.05 0.00 0.00 32.46 31.45 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 3.37 1.37 2.89 0.00 -1.26 -5.08 105.19 106.48 2a55 n GLY 112 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 0.12 -2.75 -4.37 1.61 3.14 -1.26 -4.96 118.33 109.86 2a55 n VAL 113 Ca 0.19 1.27 -0.29 0.00 -2.96 0.00 0.00 64.34 62.55 2a55 n VAL 113 Cb 0.73 -1.78 -0.12 0.00 -1.06 0.00 0.00 33.84 31.61 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 -3.50 1.64 -0.12 7.55 0.00 0.34 -4.71 107.32 108.53 2a55 s GLY 114 Ca 0.00 -1.48 -0.10 0.00 0.00 0.00 0.00 44.72 43.14 2a55 s GLY 114 CO 0.00 -1.47 0.21 -0.98 0.00 0.00 0.00 173.10 170.86 2a55 s TRP 115 N -1.24 3.56 -0.08 1.90 0.23 -1.26 -1.37 118.94 120.68 2a55 s TRP 115 Ca 0.17 0.58 -0.07 0.00 -2.03 0.00 0.00 56.10 54.74 2a55 s TRP 115 Cb -0.10 -2.11 -0.05 0.00 0.03 0.00 0.00 33.47 31.25 2a55 s TRP 115 CO 0.08 0.54 0.27 0.77 0.96 0.00 0.00 176.95 179.58 2a55 h SER 116 N 5.58 -0.15 -3.73 2.95 0.02 -1.93 -3.48 113.55 112.81 2a55 h SER 116 Ca -0.49 -0.06 -0.17 0.00 -0.84 0.00 0.00 61.79 60.23 2a55 h SER 116 Cb 1.20 0.04 -0.26 0.00 0.14 0.00 0.00 62.40 63.52 2a55 h SER 116 CO 0.65 0.35 -0.44 -1.00 -1.14 0.00 0.00 176.83 175.25 2a55 s HIS 117 N -2.22 -0.28 0.00 3.45 3.76 -1.26 -5.07 115.29 113.66 2a55 s HIS 117 Ca -0.04 0.68 0.00 0.00 -0.15 0.00 0.00 55.06 55.55 2a55 s HIS 117 Cb 0.00 0.08 0.00 0.00 1.11 0.00 0.00 32.58 33.78 2a55 s HIS 117 CO 0.13 -0.15 0.00 -0.35 -0.85 0.00 0.00 174.74 173.52 2a55 n PRO 118 N 3.18 3.31 -1.75 8.40 -0.04 -1.26 -4.81 135.00 142.04 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 0.57 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.04 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 4.64 0.00 1.53 7.99 -1.26 -5.01 117.00 124.89 2a55 n LEU 119 Ca 0.00 1.15 0.00 0.00 -0.01 0.00 0.00 56.01 57.15 2a55 n LEU 119 Cb 0.00 -1.57 0.00 0.00 -0.11 0.00 0.00 43.42 41.74 2a55 n LEU 119 CO 0.00 -0.23 0.00 -0.81 -1.51 0.00 0.00 177.39 174.84 2a55 n PRO 120 N 0.08 1.31 -3.92 3.23 -0.04 -1.26 -5.05 135.00 129.35 2a55 n PRO 120 Ca 0.04 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.16 2a55 n PRO 120 Cb 0.40 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.72 2a55 n PRO 120 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2a55 s GLN 121 N 0.40 2.83 -0.43 0.54 -0.21 -0.07 -4.99 119.66 117.74 2a55 s GLN 121 Ca 0.00 -0.99 -0.15 0.00 0.02 0.00 0.00 55.36 54.24 2a55 s GLN 121 Cb 0.00 -3.07 0.04 0.00 1.00 0.00 0.00 33.01 30.98 2a55 s GLN 121 CO 0.00 -0.43 0.33 0.00 -2.12 0.00 0.00 175.29 173.07 2a55 s GLU 123 N 1.66 1.44 0.50 0.00 0.41 -1.18 -4.88 118.70 116.64 2a55 s GLU 123 Ca 0.05 -1.13 -0.23 0.00 -0.41 0.00 0.00 54.97 53.25 2a55 s GLU 123 Cb -0.21 -1.69 -0.06 0.00 -1.78 0.00 0.00 34.13 30.39 2a55 s GLU 123 CO 0.09 0.42 1.36 -1.50 -0.49 0.00 0.00 175.26 175.13 2a55 s ILE 124 N -0.94 2.21 0.08 -1.63 1.10 -1.26 -1.64 121.20 119.12 2a55 s ILE 124 Ca 0.10 0.17 -0.17 0.00 -0.51 0.00 0.00 60.65 60.23 2a55 s ILE 124 Cb -0.10 -3.09 -0.09 0.00 0.15 0.00 0.00 42.46 39.33 2a55 s ILE 124 CO 0.03 0.01 1.44 -0.07 -2.11 0.00 0.00 174.94 174.24 2a55 h LEU 125 N 1.85 0.58 -9.61 8.50 3.38 -0.95 -3.44 115.31 115.61 2a55 h LEU 125 Ca -0.51 -0.42 -0.65 0.00 0.09 0.00 0.00 57.88 56.39 2a55 h LEU 125 Cb 1.28 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.78 2a55 h LEU 125 CO 0.59 0.87 -0.55 -0.70 0.09 0.00 0.00 178.44 178.74 2a55 s GLU 126 N -4.56 3.17 0.41 1.13 2.12 -1.26 -5.10 118.70 114.61 2a55 s GLU 126 Ca -0.13 -0.42 -0.22 0.00 0.36 0.00 0.00 54.97 54.56 2a55 s GLU 126 Cb 0.08 -2.93 -0.11 0.00 0.26 0.00 0.00 34.13 31.43 2a55 s GLU 126 CO 0.79 0.67 0.95 -1.58 -0.54 0.00 0.00 175.26 175.54 2a55 s HIS 127 N -1.20 3.38 0.22 5.30 5.65 -1.26 -5.07 115.29 122.31 2a55 s HIS 127 Ca 0.23 1.64 0.04 0.00 0.25 0.00 0.00 55.06 57.22 2a55 s HIS 127 Cb -0.12 -2.87 -0.01 0.00 -1.18 0.00 0.00 32.58 28.40 2a55 s HIS 127 CO 0.14 -0.06 0.21 -2.39 -0.65 0.00 0.00 174.74 171.99 2a55 n HIS 128 N -0.41 -0.64 0.00 3.88 1.44 -1.26 -5.07 115.22 113.16 2a55 n HIS 128 Ca 0.06 -1.75 0.00 0.00 -2.01 0.00 0.00 57.72 54.02 2a55 n HIS 128 Cb 0.53 0.23 0.00 0.00 0.12 0.00 0.00 29.99 30.87 2a55 n HIS 128 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2a55 n HIS 129 N -0.40 0.00 -4.86 -1.40 1.44 -1.26 -5.06 115.22 103.67 2a55 n HIS 129 Ca 0.04 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.48 2a55 n HIS 129 Cb 0.39 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.33 2a55 n HIS 129 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2a55 s HIS 130 N -0.69 1.88 0.04 -1.40 5.65 -1.26 -5.13 115.29 114.38 2a55 s HIS 130 Ca 0.00 -0.68 -0.09 0.00 0.25 0.00 0.00 55.06 54.54 2a55 s HIS 130 Cb 0.00 -1.30 0.00 0.00 -1.18 0.00 0.00 32.58 30.11 2a55 s HIS 130 CO 0.00 -0.28 0.19 -1.58 -0.65 0.00 0.00 174.74 172.42 2a55 s HIS 131 N 0.36 0.07 -2.00 3.88 2.46 -1.26 -5.25 115.29 113.56 2a55 s HIS 131 Ca -0.12 -0.32 0.04 0.00 0.47 0.00 0.00 55.06 55.12 2a55 s HIS 131 Cb -0.15 -0.04 0.23 0.00 -0.13 0.00 0.00 32.58 32.49 2a55 s HIS 131 CO 0.05 -0.44 0.71 0.72 -2.47 0.00 0.00 174.74 173.31