#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 2.14 0.50 6.12 -0.87 -1.26 -1.82 114.94 119.75 2a55 s ASN 1 Ca 0.00 -0.61 0.07 0.00 -1.57 0.00 0.00 52.86 50.75 2a55 s ASN 1 Cb 0.00 -0.12 0.04 0.00 -0.02 0.00 0.00 41.25 41.15 2a55 s ASN 1 CO 0.00 0.03 0.68 0.00 -2.57 0.00 0.00 177.10 175.24 2a55 s GLY 3 N -4.47 1.66 0.28 0.00 0.00 -1.23 -4.41 107.32 99.15 2a55 s GLY 3 Ca 0.58 0.11 -0.28 0.00 0.00 0.00 0.00 44.72 45.13 2a55 s GLY 3 CO 0.36 0.46 0.88 -1.05 0.00 0.00 0.00 173.10 173.75 2a55 n PRO 4 N -3.35 1.02 -1.49 2.90 -0.02 -1.23 -4.77 135.00 128.06 2a55 n PRO 4 Ca 0.08 0.36 -0.48 0.00 -2.02 0.00 0.00 63.50 61.44 2a55 n PRO 4 Cb 0.54 -1.65 -0.06 0.00 -0.02 0.00 0.00 33.50 32.31 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 0.76 1.30 -0.15 0.52 -0.02 -1.26 -4.95 135.00 131.20 2a55 n PRO 5 Ca 0.11 0.34 -0.20 0.00 -2.02 0.00 0.00 63.50 61.73 2a55 n PRO 5 Cb 0.31 -2.71 0.20 0.00 -0.02 0.00 0.00 33.50 31.27 2a55 n PRO 5 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2a55 n PRO 6 N 8.41 -3.88 -3.57 0.52 -0.04 -1.26 -4.99 135.00 130.19 2a55 n PRO 6 Ca 0.38 -0.96 -0.36 0.00 -0.04 0.00 0.00 63.50 62.52 2a55 n PRO 6 Cb 0.30 -1.26 -0.07 0.00 -0.04 0.00 0.00 33.50 32.43 2a55 n PRO 6 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2a55 s THR 7 N -1.73 5.32 -0.31 0.52 2.01 -1.26 -5.07 115.64 115.12 2a55 s THR 7 Ca 0.44 0.48 -0.07 0.00 0.31 0.00 0.00 61.69 62.85 2a55 s THR 7 Cb -0.08 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 68.85 2a55 s THR 7 CO 0.37 0.39 0.09 -0.76 -0.69 0.00 0.00 174.62 174.02 2a55 s LEU 8 N 0.52 4.02 0.14 4.42 1.43 -1.25 -4.93 118.68 123.02 2a55 s LEU 8 Ca 0.15 -0.84 0.21 0.00 -1.03 0.00 0.00 54.13 52.62 2a55 s LEU 8 Cb -0.13 -1.88 0.86 0.00 0.03 0.00 0.00 46.19 45.07 2a55 s LEU 8 CO 0.03 -0.24 1.65 -1.54 0.23 0.00 0.00 176.35 176.48 2a55 n SER 9 N 4.86 0.38 -0.37 2.29 3.41 -1.26 -2.07 113.62 120.86 2a55 n SER 9 Ca -0.14 0.58 0.09 0.00 -0.26 0.00 0.00 58.87 59.15 2a55 n SER 9 Cb 0.47 -0.67 -0.02 0.00 -0.26 0.00 0.00 64.21 63.74 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 -1.91 0.00 -3.64 7.33 1.16 -1.26 -4.83 117.46 114.32 2a55 n PHE 10 Ca 0.03 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.48 2a55 n PHE 10 Cb 0.24 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.05 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a55 s ALA 11 N -2.25 -1.15 0.05 1.98 0.00 -0.88 -3.81 121.76 115.70 2a55 s ALA 11 Ca 0.15 0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.65 2a55 s ALA 11 Cb 0.15 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 2a55 s ALA 11 CO 0.52 -0.44 -0.13 0.00 0.00 0.00 0.00 175.76 175.71 2a55 s ALA 12 N -2.18 1.08 0.41 0.00 0.00 -0.57 -3.81 121.76 116.69 2a55 s ALA 12 Ca -0.07 -0.85 -0.22 0.00 0.00 0.00 0.00 51.96 50.82 2a55 s ALA 12 Cb -0.01 -0.13 -0.13 0.00 0.00 0.00 0.00 23.12 22.84 2a55 s ALA 12 CO -0.00 0.18 0.45 -2.30 0.00 0.00 0.00 175.76 174.09 2a55 n PRO 13 N 1.71 0.44 0.00 0.00 -0.02 -1.26 -1.07 135.00 134.80 2a55 n PRO 13 Ca -0.19 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2a55 n PRO 13 Cb 0.55 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 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 0.75 0.68 -2.82 -0.52 1.56 -1.26 -4.67 117.12 110.84 2a55 n MET 14 Ca 0.12 0.00 -0.02 0.00 -0.27 0.00 0.00 57.70 57.52 2a55 n MET 14 Cb 0.39 -0.06 0.01 0.00 2.15 0.00 0.00 33.22 35.72 2a55 n MET 14 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2a55 s ASP 15 N 0.00 -1.05 0.00 6.12 -1.08 -1.26 -4.86 116.67 114.54 2a55 s ASP 15 Ca 0.00 -1.05 0.00 0.00 -0.52 0.00 0.00 52.55 50.98 2a55 s ASP 15 Cb 0.00 1.36 0.00 0.00 -1.46 0.00 0.00 42.92 42.82 2a55 s ASP 15 CO 0.00 -0.06 0.00 0.00 0.52 0.00 0.00 175.17 175.63 2a55 n ILE 16 N 3.19 0.00 -1.60 4.11 3.06 -1.26 -4.15 119.36 122.71 2a55 n ILE 16 Ca 0.14 0.00 -0.46 0.00 -2.50 0.00 0.00 62.75 59.92 2a55 n ILE 16 Cb 0.59 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.73 2a55 n ILE 16 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2a55 n THR 17 N 0.00 0.44 0.09 9.51 -2.24 -1.26 -4.78 114.28 116.04 2a55 n THR 17 Ca 0.00 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2a55 n THR 17 Cb 0.00 -2.10 0.00 0.00 -2.10 0.00 0.00 70.33 66.13 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 9.11 3.75 -0.44 3.22 7.99 -1.26 -3.61 117.00 135.76 2a55 n LEU 18 Ca 0.29 -1.74 0.12 0.00 -0.01 0.00 0.00 56.01 54.67 2a55 n LEU 18 Cb 0.34 -0.75 0.24 0.00 -0.11 0.00 0.00 43.42 43.15 2a55 n LEU 18 CO 0.71 0.69 0.56 0.35 -1.51 0.00 0.00 177.39 178.19 2a55 n THR 19 N 1.17 0.00 -3.71 -5.08 -2.24 -1.26 -4.93 114.28 98.23 2a55 n THR 19 Ca 0.00 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2a55 n THR 19 Cb 0.43 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 2a55 n THR 19 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2a55 n GLU 20 N -0.11 1.72 0.00 -0.78 -0.58 -1.24 -5.07 120.64 114.58 2a55 n GLU 20 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 2a55 n GLU 20 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.29 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 -0.29 0.00 -4.35 2.62 -1.04 -1.26 -5.06 114.28 104.90 2a55 n THR 21 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 2a55 n THR 21 Cb 0.00 0.10 -0.13 0.00 -1.82 0.00 0.00 70.33 68.49 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 -0.23 -2.82 0.52 -1.26 -3.55 118.95 112.91 2a55 s ARG 22 Ca 0.00 -1.31 -0.03 0.00 -0.52 0.00 0.00 55.73 53.87 2a55 s ARG 22 Cb 0.00 -1.68 0.12 0.00 0.52 0.00 0.00 34.95 33.91 2a55 s ARG 22 CO 0.00 0.39 0.37 -0.06 0.02 0.00 0.00 175.30 176.02 2a55 s PHE 23 N -1.22 -0.77 1.05 -0.53 0.40 -1.26 -5.04 117.98 110.61 2a55 s PHE 23 Ca 0.12 0.87 -0.19 0.00 -0.60 0.00 0.00 56.93 57.13 2a55 s PHE 23 Cb -0.10 0.02 0.02 0.00 0.51 0.00 0.00 43.02 43.47 2a55 s PHE 23 CO 0.06 -0.67 -0.25 0.36 0.70 0.00 0.00 175.22 175.42 2a55 n LYS 24 N 5.36 -0.93 0.00 0.44 2.85 -1.26 -3.49 118.16 121.13 2a55 n LYS 24 Ca -0.04 -0.25 0.06 0.00 -1.05 0.00 0.00 58.31 57.02 2a55 n LYS 24 Cb 0.50 -1.56 0.35 0.00 -0.65 0.00 0.00 35.03 33.67 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 -3.94 0.07 0.66 0.58 -2.24 -0.76 -1.61 114.28 107.03 2a55 n THR 25 Ca 0.01 0.02 0.09 0.00 -2.27 0.00 0.00 64.05 61.90 2a55 n THR 25 Cb 0.62 -0.83 -0.12 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 -0.26 -0.83 3.56 3.38 0.00 -1.26 -4.22 105.19 105.55 2a55 n GLY 26 Ca 0.09 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.95 1.60 -0.29 2.61 -1.32 -0.64 -4.95 115.64 109.70 2a55 s THR 27 Ca 0.03 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.36 2a55 s THR 27 Cb 0.14 -2.41 0.15 0.00 -1.51 0.00 0.00 72.50 68.87 2a55 s THR 27 CO 0.79 0.00 1.00 0.28 -2.21 0.00 0.00 174.62 174.48 2a55 s THR 28 N -2.88 -0.08 0.77 5.08 -1.32 -1.24 -3.99 115.64 111.98 2a55 s THR 28 Ca 0.70 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 61.15 2a55 s THR 28 Cb -0.12 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.03 2a55 s THR 28 CO 0.57 0.00 1.06 0.18 -2.21 0.00 0.00 174.62 174.22 2a55 n LEU 29 N 3.88 0.00 0.00 9.08 4.77 0.94 -4.77 117.00 130.90 2a55 n LEU 29 Ca -0.17 -2.02 0.00 0.00 -0.03 0.00 0.00 56.01 53.79 2a55 n LEU 29 Cb 0.57 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2a55 n LEU 29 CO 0.01 -1.06 0.00 1.17 -1.33 0.00 0.00 177.39 176.18 2a55 n LYS 30 N -3.01 0.00 -1.53 3.23 3.00 -1.26 -3.20 118.16 115.39 2a55 n LYS 30 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 2a55 n LYS 30 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 35.03 35.61 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 -1.29 -4.20 -4.47 5.64 4.02 -1.26 -3.86 117.16 111.74 2a55 n TYR 31 Ca 0.00 2.26 -0.23 0.00 -0.01 0.00 0.00 57.90 59.93 2a55 n TYR 31 Cb 0.00 -3.48 -0.16 0.00 -0.02 0.00 0.00 39.34 35.68 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 -4.64 0.94 -0.21 -0.72 -1.32 -0.23 -4.84 115.64 104.62 2a55 s THR 32 Ca 0.00 -0.39 -0.29 0.00 -1.21 0.00 0.00 61.69 59.80 2a55 s THR 32 Cb 0.00 -0.86 -0.02 0.00 -1.51 0.00 0.00 72.50 70.11 2a55 s THR 32 CO 0.00 0.30 1.39 0.00 -2.21 0.00 0.00 174.62 174.10 2a55 n LEU 34 N 7.37 0.00 -3.00 0.00 4.77 -1.25 -4.55 117.00 120.35 2a55 n LEU 34 Ca 0.15 -1.33 -0.42 0.00 -0.03 0.00 0.00 56.01 54.38 2a55 n LEU 34 Cb 0.45 -0.84 -0.08 0.00 -2.33 0.00 0.00 43.42 40.62 2a55 n LEU 34 CO 0.61 -1.27 1.20 -2.65 -1.33 0.00 0.00 177.39 173.94 2a55 n PRO 35 N -3.34 0.00 0.00 3.23 -0.02 -1.26 -0.63 135.00 132.98 2a55 n PRO 35 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2a55 n PRO 35 Cb 0.50 -1.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 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 5.17 0.74 2.84 -1.23 0.00 -1.26 -5.06 105.19 106.39 2a55 n GLY 36 Ca 0.38 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.13 2a55 n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a55 s TYR 37 N -1.01 1.36 0.00 1.61 1.51 0.19 0.15 117.35 121.16 2a55 s TYR 37 Ca 0.00 -0.82 0.00 0.00 -1.01 0.00 0.00 57.07 55.24 2a55 s TYR 37 Cb 0.00 -1.16 0.00 0.00 -0.11 0.00 0.00 41.96 40.69 2a55 s TYR 37 CO 0.00 -0.55 0.00 1.33 -1.11 0.00 0.00 175.55 175.22 2a55 n VAL 38 N 4.97 0.00 -3.70 0.71 0.24 0.09 -3.77 118.33 116.86 2a55 n VAL 38 Ca -0.10 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.86 2a55 n VAL 38 Cb 0.48 -0.14 -0.08 0.00 -1.47 0.00 0.00 33.84 32.64 2a55 n VAL 38 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2a55 n ARG 39 N 0.00 2.44 0.02 7.34 5.12 -1.26 -3.33 116.66 126.99 2a55 n ARG 39 Ca 0.00 -4.49 -0.18 0.00 -1.93 0.00 0.00 57.85 51.25 2a55 n ARG 39 Cb 0.00 -2.38 -0.08 0.00 -1.16 0.00 0.00 32.46 28.85 2a55 n ARG 39 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2a55 h SER 40 N 5.76 0.87 0.00 0.55 0.87 -1.79 -3.28 113.55 116.52 2a55 h SER 40 Ca 0.16 -0.64 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2a55 h SER 40 Cb 0.79 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2a55 h SER 40 CO 0.83 1.44 -0.96 1.41 -0.53 0.00 0.00 176.83 179.02 2a55 n HIS 41 N -3.87 0.00 -0.10 2.24 8.25 -1.26 -4.97 115.22 115.50 2a55 n HIS 41 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2a55 n HIS 41 Cb 0.82 -0.07 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 -1.52 0.00 -4.86 0.41 2.88 -1.24 -4.96 113.62 104.34 2a55 n SER 42 Ca 0.02 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.24 2a55 n SER 42 Cb 0.29 -0.83 -0.05 0.00 -0.75 0.00 0.00 64.21 62.86 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 -2.05 4.72 -0.32 2.46 2.01 -1.26 -5.05 115.64 116.14 2a55 s THR 43 Ca 0.00 0.85 -0.08 0.00 0.31 0.00 0.00 61.69 62.77 2a55 s THR 43 Cb 0.00 -3.63 0.19 0.00 0.01 0.00 0.00 72.50 69.06 2a55 s THR 43 CO 0.00 -0.25 1.01 0.00 -0.69 0.00 0.00 174.62 174.70 2a55 s GLN 44 N -3.15 0.22 -0.16 4.92 -2.07 -1.26 -4.76 119.66 113.40 2a55 s GLN 44 Ca 0.53 -0.03 -0.14 0.00 -1.82 0.00 0.00 55.36 53.90 2a55 s GLN 44 Cb -0.10 0.04 0.04 0.00 -1.09 0.00 0.00 33.01 31.90 2a55 s GLN 44 CO 0.20 -0.33 0.41 0.95 -1.32 0.00 0.00 175.29 175.21 2a55 s THR 45 N 2.14 -0.00 -0.38 3.63 -4.23 -1.25 -4.31 115.64 111.23 2a55 s THR 45 Ca 0.17 0.01 -0.08 0.00 -1.18 0.00 0.00 61.69 60.61 2a55 s THR 45 Cb 0.02 -0.59 0.06 0.00 1.34 0.00 0.00 72.50 73.33 2a55 s THR 45 CO -0.16 0.01 0.20 -0.76 -0.54 0.00 0.00 174.62 173.36 2a55 s LEU 46 N 0.40 4.81 0.04 4.79 1.02 -1.19 -4.67 118.68 123.87 2a55 s LEU 46 Ca -0.01 -1.32 0.03 0.00 0.02 0.00 0.00 54.13 52.84 2a55 s LEU 46 Cb -0.04 -1.95 -0.04 0.00 0.02 0.00 0.00 46.19 44.19 2a55 s LEU 46 CO -0.01 -0.44 0.00 -0.89 0.02 0.00 0.00 176.35 175.02 2a55 s THR 47 N 1.43 4.10 -0.30 5.49 2.01 -1.23 -0.04 115.64 127.09 2a55 s THR 47 Ca 0.01 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 60.96 2a55 s THR 47 Cb -0.21 -2.88 0.01 0.00 0.01 0.00 0.00 72.50 69.43 2a55 s THR 47 CO 0.03 0.27 1.23 0.00 -0.69 0.00 0.00 174.62 175.46 2a55 n ASN 49 N 7.34 0.50 -2.96 0.00 0.23 -1.04 -4.15 115.26 115.18 2a55 n ASN 49 Ca 0.14 -1.43 -0.37 0.00 -0.53 0.00 0.00 54.58 52.40 2a55 n ASN 49 Cb 0.47 -0.25 0.02 0.00 -2.08 0.00 0.00 39.78 37.94 2a55 n ASN 49 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2a55 n SER 50 N -2.97 6.73 0.00 0.53 2.88 -1.26 -4.37 113.62 115.15 2a55 n SER 50 Ca 0.06 -3.78 0.00 0.00 -1.33 0.00 0.00 58.87 53.82 2a55 n SER 50 Cb 0.22 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 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 -0.42 2.70 0.00 -3.46 9.92 -1.26 -5.04 116.55 118.99 2a55 n ASP 51 Ca 0.48 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.74 2a55 n ASP 51 Cb 0.33 0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.84 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 2.77 -0.97 0.00 0.44 0.00 -1.26 -5.13 105.19 101.04 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 -3.65 1.61 0.28 -1.26 -3.54 120.64 114.08 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 -0.11 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 -1.56 3.23 0.09 -1.84 0.52 -1.26 -2.49 118.94 115.63 2a55 s TRP 54 Ca 0.00 0.07 0.02 0.00 0.02 0.00 0.00 56.10 56.21 2a55 s TRP 54 Cb 0.00 -2.32 -0.04 0.00 -1.15 0.00 0.00 33.47 29.96 2a55 s TRP 54 CO 0.00 -0.12 0.19 0.08 0.02 0.00 0.00 176.95 177.12 2a55 s VAL 55 N 1.50 5.08 0.00 4.03 1.01 -1.13 -4.94 120.40 125.95 2a55 s VAL 55 Ca 0.07 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2a55 s VAL 55 Cb -0.15 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.72 2a55 s VAL 55 CO 0.08 0.06 0.00 0.00 0.00 0.00 0.00 175.10 175.24 2a55 n TYR 56 N 0.08 0.00 -1.03 5.22 0.18 -1.26 -3.57 117.16 116.78 2a55 n TYR 56 Ca -0.07 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.84 2a55 n TYR 56 Cb 0.52 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.44 2a55 n TYR 56 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 2a55 n ASN 57 N 0.00 -5.69 -4.41 9.48 5.15 -1.26 -4.33 115.26 114.21 2a55 n ASN 57 Ca 0.00 0.51 -0.45 0.00 -0.60 0.00 0.00 54.58 54.04 2a55 n ASN 57 Cb 0.00 -3.30 -0.02 0.00 -0.53 0.00 0.00 39.78 35.93 2a55 n ASN 57 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2a55 s THR 58 N -2.42 5.12 -1.16 -0.44 2.01 -1.26 -4.82 115.64 112.66 2a55 s THR 58 Ca 0.00 -2.07 0.12 0.00 0.31 0.00 0.00 61.69 60.05 2a55 s THR 58 Cb 0.00 -4.68 0.51 0.00 0.01 0.00 0.00 72.50 68.33 2a55 s THR 58 CO 0.00 -1.35 1.36 2.22 -0.69 0.00 0.00 174.62 176.16 2a55 n PHE 59 N 5.41 1.08 -4.56 4.92 1.16 -1.26 -4.86 117.46 119.35 2a55 n PHE 59 Ca 0.22 -0.42 -0.33 0.00 -1.87 0.00 0.00 57.45 55.05 2a55 n PHE 59 Cb 0.47 -0.21 -0.15 0.00 -1.61 0.00 0.00 39.48 37.98 2a55 n PHE 59 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a55 s ILE 61 N 0.73 -0.58 0.00 0.00 2.07 -1.21 -4.82 121.20 117.39 2a55 s ILE 61 Ca -0.06 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 2a55 s ILE 61 Cb -0.15 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.44 2a55 s ILE 61 CO 0.01 0.00 0.00 0.00 -1.91 0.00 0.00 174.94 173.04 2a55 n TYR 62 N 5.18 0.00 0.00 3.50 9.36 0.12 -0.74 117.16 134.58 2a55 n TYR 62 Ca -0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.14 2a55 n TYR 62 Cb 0.52 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.23 2a55 n TYR 62 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 2a55 n LYS 63 N 0.00 0.00 0.00 2.98 2.85 -1.26 -4.35 118.16 118.38 2a55 n LYS 63 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2a55 n LYS 63 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2a55 n LYS 63 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 2a55 n ARG 64 N 0.00 3.97 -3.77 -1.58 1.85 -1.26 -3.84 116.66 112.02 2a55 n ARG 64 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.64 2a55 n ARG 64 Cb 0.00 0.00 -0.17 0.00 -1.05 0.00 0.00 32.46 31.24 2a55 n ARG 64 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2a55 n ARG 66 N 5.01 2.40 -1.60 0.00 3.00 -1.26 -4.71 116.66 119.50 2a55 n ARG 66 Ca -0.09 0.85 -0.50 0.00 -0.00 0.00 0.00 57.85 58.11 2a55 n ARG 66 Cb 0.50 -2.62 -0.05 0.00 0.00 0.00 0.00 32.46 30.29 2a55 n ARG 66 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 2a55 n HIS 67 N 0.06 1.57 -0.30 -0.14 -0.00 -1.26 -4.78 115.22 110.37 2a55 n HIS 67 Ca 0.04 0.60 0.08 0.00 -0.00 0.00 0.00 57.72 58.43 2a55 n HIS 67 Cb 0.40 -2.35 0.30 0.00 -0.00 0.00 0.00 29.99 28.34 2a55 n HIS 67 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2a55 h PRO 68 N 4.29 0.85 0.00 1.57 0.13 -2.01 -3.48 132.00 133.35 2a55 h PRO 68 Ca -0.46 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2a55 h PRO 68 Cb 1.32 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2a55 h PRO 68 CO 0.76 0.57 0.00 0.41 -0.23 0.00 0.00 178.00 179.51 2a55 n GLY 69 N -1.40 -1.27 3.70 1.56 0.00 -1.26 -4.59 105.19 101.93 2a55 n GLY 69 Ca 0.16 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.74 4.46 -0.60 1.61 2.12 -1.26 -4.89 118.70 119.39 2a55 s GLU 70 Ca 0.00 1.25 -0.18 0.00 0.36 0.00 0.00 54.97 56.40 2a55 s GLU 70 Cb 0.00 -3.50 0.12 0.00 0.26 0.00 0.00 34.13 31.01 2a55 s GLU 70 CO 0.00 -0.15 0.65 -1.17 -0.54 0.00 0.00 175.26 174.05 2a55 s LEU 71 N 1.44 5.75 0.17 2.70 2.96 -1.26 -4.99 118.68 125.45 2a55 s LEU 71 Ca 0.46 -1.66 -0.31 0.00 -0.22 0.00 0.00 54.13 52.40 2a55 s LEU 71 Cb -0.19 -2.27 -0.10 0.00 0.50 0.00 0.00 46.19 44.14 2a55 s LEU 71 CO 0.21 -0.99 1.53 -0.60 -1.32 0.00 0.00 176.35 175.18 2a55 s ARG 72 N 2.14 4.23 -0.31 1.98 3.52 -1.26 -0.48 118.95 128.77 2a55 s ARG 72 Ca 0.09 2.32 0.00 0.00 -0.13 0.00 0.00 55.73 58.01 2a55 s ARG 72 Cb -0.25 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 29.98 2a55 s ARG 72 CO 0.04 -0.56 0.00 0.09 -0.81 0.00 0.00 175.30 174.06 2a55 n ASN 73 N 3.73 -3.95 -1.48 -2.12 3.02 -1.26 -4.54 115.26 108.66 2a55 n ASN 73 Ca 0.13 0.07 -0.04 0.00 -0.03 0.00 0.00 54.58 54.71 2a55 n ASN 73 Cb 0.39 -1.71 -0.01 0.00 -0.61 0.00 0.00 39.78 37.84 2a55 n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a55 n GLY 74 N -1.84 3.34 3.01 7.41 0.00 0.36 -1.15 105.19 116.33 2a55 n GLY 74 Ca -0.03 -1.57 -0.20 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.24 0.86 -0.39 1.61 2.00 0.21 -4.69 119.66 117.02 2a55 s GLN 75 Ca 0.08 -0.32 -0.08 0.00 -2.00 0.00 0.00 55.36 53.04 2a55 s GLN 75 Cb 0.00 -0.82 0.07 0.00 0.80 0.00 0.00 33.01 33.06 2a55 s GLN 75 CO 0.06 0.15 0.21 0.08 -0.50 0.00 0.00 175.29 175.29 2a55 s VAL 76 N -0.00 4.03 -0.63 1.34 1.01 -1.26 -1.50 120.40 123.39 2a55 s VAL 76 Ca 0.00 -1.35 -0.26 0.00 0.00 0.00 0.00 61.98 60.37 2a55 s VAL 76 Cb -0.06 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2a55 s VAL 76 CO 0.00 -0.41 2.01 -0.70 0.00 0.00 0.00 175.10 176.00 2a55 s GLU 77 N 1.40 2.46 0.14 2.72 2.12 -0.75 -4.94 118.70 121.85 2a55 s GLU 77 Ca 0.02 0.65 0.09 0.00 0.36 0.00 0.00 54.97 56.09 2a55 s GLU 77 Cb -0.22 -4.53 -0.04 0.00 0.26 0.00 0.00 34.13 29.60 2a55 s GLU 77 CO 0.02 -3.00 -0.21 0.42 -0.54 0.00 0.00 175.26 171.95 2a55 s ILE 78 N 10.10 1.88 0.00 -3.70 -1.09 -1.26 -4.41 121.20 122.71 2a55 s ILE 78 Ca 0.75 -1.78 0.00 0.00 -2.23 0.00 0.00 60.65 57.39 2a55 s ILE 78 Cb -0.13 -1.78 0.00 0.00 -1.58 0.00 0.00 42.46 38.97 2a55 s ILE 78 CO 0.19 -0.16 0.00 2.29 -1.23 0.00 0.00 174.94 176.02 2a55 n LYS 79 N 0.63 0.00 0.00 2.79 0.00 -1.26 -4.96 118.16 115.36 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 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.58 2a55 n LYS 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2a55 n THR 80 N -0.67 0.18 -0.90 0.58 -2.24 -1.26 -4.78 114.28 105.19 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 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 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 0.10 -4.81 -2.43 3.42 9.92 -1.26 -2.00 116.55 119.50 2a55 n ASP 81 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 2a55 n ASP 81 Cb 0.29 -3.30 0.04 0.00 -0.64 0.00 0.00 41.12 37.51 2a55 n ASP 81 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2a55 n LEU 82 N 0.00 -3.77 -4.71 0.64 7.99 -1.26 -4.93 117.00 110.96 2a55 n LEU 82 Ca 0.00 -0.38 -0.37 0.00 -0.01 0.00 0.00 56.01 55.25 2a55 n LEU 82 Cb 0.40 -1.99 -0.07 0.00 -0.11 0.00 0.00 43.42 41.65 2a55 n LEU 82 CO 0.00 0.10 0.05 -0.44 -1.51 0.00 0.00 177.39 175.58 2a55 s SER 83 N -3.37 6.48 0.31 -1.43 0.01 -0.85 -1.95 113.70 112.91 2a55 s SER 83 Ca 0.18 0.56 -0.20 0.00 1.31 0.00 0.00 55.95 57.80 2a55 s SER 83 Cb -0.02 -2.21 -0.14 0.00 0.21 0.00 0.00 66.02 63.85 2a55 s SER 83 CO 0.41 0.04 0.18 0.33 0.41 0.00 0.00 173.24 174.60 2a55 n PHE 84 N 3.83 -1.48 -1.48 2.43 7.35 -1.25 -4.04 117.46 122.82 2a55 n PHE 84 Ca -0.10 0.63 0.00 0.00 -0.76 0.00 0.00 57.45 57.22 2a55 n PHE 84 Cb 0.52 -1.61 0.00 0.00 0.35 0.00 0.00 39.48 38.74 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 1.98 0.68 3.37 7.13 0.00 -1.26 -5.00 105.19 112.09 2a55 n GLY 85 Ca 0.11 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.40 -0.11 1.61 0.01 -1.26 -5.00 113.70 105.79 2a55 s SER 86 Ca 0.00 0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.32 2a55 s SER 86 Cb 0.00 0.49 -0.02 0.00 0.21 0.00 0.00 66.02 66.71 2a55 s SER 86 CO 0.00 -0.77 -0.14 -1.58 0.41 0.00 0.00 173.24 171.16 2a55 s GLN 87 N -2.85 3.14 -0.24 12.44 -0.44 -1.25 -3.69 119.66 126.78 2a55 s GLN 87 Ca -0.03 -0.70 0.02 0.00 -2.50 0.00 0.00 55.36 52.15 2a55 s GLN 87 Cb -0.00 -2.55 0.06 0.00 -1.64 0.00 0.00 33.01 28.88 2a55 s GLN 87 CO -0.05 0.32 -0.08 0.96 0.50 0.00 0.00 175.29 176.93 2a55 s ILE 88 N 0.08 1.83 0.25 -2.34 -4.36 -0.60 -4.90 121.20 111.15 2a55 s ILE 88 Ca -0.06 -1.38 -0.30 0.00 -0.26 0.00 0.00 60.65 58.65 2a55 s ILE 88 Cb -0.15 -2.00 -0.09 0.00 1.25 0.00 0.00 42.46 41.47 2a55 s ILE 88 CO 0.05 -0.04 1.01 -1.61 0.24 0.00 0.00 174.94 174.58 2a55 s GLU 89 N 1.26 4.76 0.52 0.37 2.02 -1.26 -3.12 118.70 123.25 2a55 s GLU 89 Ca -0.07 1.62 0.07 0.00 0.02 0.00 0.00 54.97 56.61 2a55 s GLU 89 Cb -0.19 -3.25 0.05 0.00 0.10 0.00 0.00 34.13 30.84 2a55 s GLU 89 CO -0.06 0.38 0.72 -0.06 0.02 0.00 0.00 175.26 176.25 2a55 s PHE 90 N -1.09 2.14 -0.28 1.61 0.08 -1.14 -1.82 117.98 117.47 2a55 s PHE 90 Ca 0.43 -0.49 -0.01 0.00 0.12 0.00 0.00 56.93 56.98 2a55 s PHE 90 Cb -0.28 -2.40 0.17 0.00 -0.57 0.00 0.00 43.02 39.94 2a55 s PHE 90 CO 0.35 -0.87 0.53 -1.12 -0.10 0.00 0.00 175.22 174.02 2a55 s SER 91 N -4.52 -0.91 -0.30 1.36 0.01 -0.56 -4.87 113.70 103.92 2a55 s SER 91 Ca 0.59 0.68 -0.26 0.00 1.31 0.00 0.00 55.95 58.27 2a55 s SER 91 Cb -0.08 1.86 0.01 0.00 0.21 0.00 0.00 66.02 68.01 2a55 s SER 91 CO 0.37 -0.27 0.90 0.00 0.41 0.00 0.00 173.24 174.65 2a55 n SER 93 N 6.39 -2.87 -4.38 0.00 3.41 -0.30 -4.59 113.62 111.28 2a55 n SER 93 Ca 0.07 -0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.29 2a55 n SER 93 Cb 0.48 -0.83 0.02 0.00 -0.26 0.00 0.00 64.21 63.62 2a55 n SER 93 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2a55 n GLU 94 N -0.22 0.30 0.00 4.33 4.07 -1.26 -1.32 120.64 126.54 2a55 n GLU 94 Ca 0.00 0.12 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 2a55 n GLU 94 Cb 0.65 -1.39 0.00 0.00 -0.06 0.00 0.00 31.44 30.63 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 2.08 1.41 3.35 8.31 0.00 -1.26 -4.89 105.19 114.18 2a55 n GLY 95 Ca 0.10 0.00 -0.36 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 3.02 0.62 1.61 0.08 -0.43 -0.00 117.98 122.88 2a55 s PHE 96 Ca 0.00 -0.83 -0.01 0.00 0.12 0.00 0.00 56.93 56.20 2a55 s PHE 96 Cb 0.00 -2.16 0.06 0.00 -0.57 0.00 0.00 43.02 40.35 2a55 s PHE 96 CO 0.00 -0.51 0.88 -0.59 -0.10 0.00 0.00 175.22 174.90 2a55 s PHE 97 N 1.51 2.67 0.02 0.36 -0.71 -0.18 -3.72 117.98 117.92 2a55 s PHE 97 Ca 0.05 0.08 -0.13 0.00 -1.04 0.00 0.00 56.93 55.90 2a55 s PHE 97 Cb -0.15 -2.93 -0.06 0.00 -1.21 0.00 0.00 43.02 38.67 2a55 s PHE 97 CO -0.01 -1.17 0.39 -1.17 -1.34 0.00 0.00 175.22 171.91 2a55 s LEU 98 N -4.97 4.43 -0.27 -1.99 0.20 -1.26 -2.74 118.68 112.08 2a55 s LEU 98 Ca 0.60 0.87 -0.02 0.00 0.69 0.00 0.00 54.13 56.27 2a55 s LEU 98 Cb -0.10 -2.68 0.16 0.00 -0.43 0.00 0.00 46.19 43.15 2a55 s LEU 98 CO 0.41 0.28 0.49 -0.63 -0.29 0.00 0.00 176.35 176.61 2a55 s ILE 99 N -1.18 -0.80 0.00 6.68 1.01 -0.84 -4.97 121.20 121.10 2a55 s ILE 99 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.88 2a55 s ILE 99 Cb -0.15 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.41 2a55 s ILE 99 CO 0.14 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.63 2a55 n GLY 100 N 5.40 0.11 0.00 6.18 0.00 -1.26 -0.96 105.19 114.66 2a55 n GLY 100 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 2a55 n SER 101 Cb 0.00 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 63.60 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 0.96 -4.38 2.46 -2.24 -1.26 -4.58 114.28 105.24 2a55 n THR 102 Ca 0.00 0.24 -0.22 0.00 -2.27 0.00 0.00 64.05 61.80 2a55 n THR 102 Cb 0.00 -1.15 -0.11 0.00 -2.10 0.00 0.00 70.33 66.98 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 -2.59 2.01 -0.13 4.28 -4.23 -1.26 -2.90 115.64 110.81 2a55 s THR 103 Ca 0.05 -2.12 -0.04 0.00 -1.18 0.00 0.00 61.69 58.40 2a55 s THR 103 Cb 0.04 -2.03 0.07 0.00 1.34 0.00 0.00 72.50 71.91 2a55 s THR 103 CO 0.09 -0.38 0.20 -0.55 -0.54 0.00 0.00 174.62 173.44 2a55 s SER 104 N -3.03 0.86 0.02 3.99 0.15 -1.18 -4.93 113.70 109.59 2a55 s SER 104 Ca 0.21 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.09 2a55 s SER 104 Cb -0.05 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 2a55 s SER 104 CO 0.09 -0.27 0.03 0.54 1.20 0.00 0.00 173.24 174.83 2a55 n ARG 105 N 5.33 1.08 -3.63 5.44 1.74 -1.26 -1.56 116.66 123.81 2a55 n ARG 105 Ca -0.05 -0.13 -0.20 0.00 -0.77 0.00 0.00 57.85 56.70 2a55 n ARG 105 Cb 0.50 -0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.77 2a55 n ARG 105 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2a55 s GLU 107 N 2.23 2.27 -0.10 0.00 0.41 0.18 -4.18 118.70 119.51 2a55 s GLU 107 Ca 0.04 -1.59 0.02 0.00 -0.41 0.00 0.00 54.97 53.04 2a55 s GLU 107 Cb -0.14 -2.10 0.01 0.00 -1.78 0.00 0.00 34.13 30.12 2a55 s GLU 107 CO -0.07 0.16 -0.18 0.08 -0.49 0.00 0.00 175.26 174.76 2a55 s VAL 108 N -2.44 1.65 -0.21 2.63 1.01 -1.26 0.50 120.40 122.29 2a55 s VAL 108 Ca 0.36 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 2a55 s VAL 108 Cb -0.02 -1.48 0.06 0.00 0.00 0.00 0.00 36.38 34.94 2a55 s VAL 108 CO 0.21 0.47 0.02 0.00 0.00 0.00 0.00 175.10 175.81 2a55 s GLN 109 N 0.75 0.84 4.94 2.72 0.00 0.43 -4.96 119.66 124.38 2a55 s GLN 109 Ca -0.11 -0.57 0.00 0.00 -0.00 0.00 0.00 55.36 54.68 2a55 s GLN 109 Cb -0.16 -2.20 0.00 0.00 0.00 0.00 0.00 33.01 30.65 2a55 s GLN 109 CO 0.02 -0.65 0.00 -0.25 0.00 0.00 0.00 175.29 174.40 2a55 n ASP 110 N 4.97 0.00 -0.73 12.60 8.00 -1.26 -0.72 116.55 139.41 2a55 n ASP 110 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 2a55 n ASP 110 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 2a55 n ASP 110 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2a55 n ARG 111 N 14.00 0.78 -4.22 -1.24 1.74 -1.26 -4.78 116.66 121.68 2a55 n ARG 111 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 2a55 n ARG 111 Cb 0.00 -1.26 -0.10 0.00 -1.02 0.00 0.00 32.46 30.08 2a55 n ARG 111 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2a55 s GLY 112 N 0.34 1.21 -0.18 -0.13 0.00 0.11 -5.08 107.32 103.59 2a55 s GLY 112 Ca 0.00 -1.59 -0.35 0.00 0.00 0.00 0.00 44.72 42.78 2a55 s GLY 112 CO 0.00 -1.48 1.27 0.54 0.00 0.00 0.00 173.10 173.43 2a55 s VAL 113 N -3.79 0.00 -1.70 1.40 0.11 -1.26 -0.43 120.40 114.72 2a55 s VAL 113 Ca 0.26 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.27 2a55 s VAL 113 Cb 0.07 -1.21 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 2a55 s VAL 113 CO 0.04 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.42 2a55 n GLY 114 N -0.16 0.70 3.63 6.54 0.00 0.18 -4.39 105.19 111.69 2a55 n GLY 114 Ca -0.00 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 2a55 n GLY 114 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2a55 n TRP 115 N 3.07 1.34 0.24 1.61 7.02 -1.19 -0.65 117.44 128.88 2a55 n TRP 115 Ca 0.00 0.52 0.11 0.00 -1.02 0.00 0.00 57.50 57.11 2a55 n TRP 115 Cb 0.00 -2.25 -0.10 0.00 -2.42 0.00 0.00 31.31 26.54 2a55 n TRP 115 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2a55 n SER 116 N 0.21 0.37 -2.91 -0.99 2.88 -1.25 -4.84 113.62 107.09 2a55 n SER 116 Ca 0.09 -0.10 0.04 0.00 -1.33 0.00 0.00 58.87 57.57 2a55 n SER 116 Cb 0.41 1.41 0.00 0.00 -0.75 0.00 0.00 64.21 65.28 2a55 n SER 116 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2a55 s HIS 117 N -3.37 -0.19 0.00 0.66 5.65 -1.26 -5.14 115.29 111.64 2a55 s HIS 117 Ca -0.03 0.07 0.00 0.00 0.25 0.00 0.00 55.06 55.35 2a55 s HIS 117 Cb 0.14 0.03 0.00 0.00 -1.18 0.00 0.00 32.58 31.57 2a55 s HIS 117 CO 0.87 -0.12 0.00 -0.35 -0.65 0.00 0.00 174.74 174.48 2a55 n PRO 118 N 4.26 1.58 -0.80 2.88 -0.04 -1.26 -4.85 135.00 136.76 2a55 n PRO 118 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2a55 n PRO 118 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 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 -0.63 0.00 1.53 4.77 -1.26 -4.94 117.00 116.46 2a55 n LEU 119 Ca 0.00 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2a55 n LEU 119 Cb 0.00 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2a55 n LEU 119 CO 0.00 -0.30 0.00 -2.65 -1.33 0.00 0.00 177.39 173.11 2a55 n PRO 120 N 0.82 0.89 -3.88 3.23 -0.02 -1.26 -5.04 135.00 129.74 2a55 n PRO 120 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.13 2a55 n PRO 120 Cb 0.06 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.40 2a55 n PRO 120 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2a55 s GLN 121 N -0.20 3.48 -0.41 -0.52 -0.21 -0.13 -4.95 119.66 116.72 2a55 s GLN 121 Ca 0.00 -0.57 -0.12 0.00 0.02 0.00 0.00 55.36 54.69 2a55 s GLN 121 Cb 0.00 -3.11 0.04 0.00 1.00 0.00 0.00 33.01 30.95 2a55 s GLN 121 CO 0.00 -0.18 0.27 0.00 -2.12 0.00 0.00 175.29 173.26 2a55 s GLU 123 N 1.56 1.30 0.80 0.00 2.56 -1.11 -4.93 118.70 118.89 2a55 s GLU 123 Ca 0.03 -0.92 -0.14 0.00 0.00 0.00 0.00 54.97 53.94 2a55 s GLU 123 Cb -0.21 -1.41 0.07 0.00 2.00 0.00 0.00 34.13 34.59 2a55 s GLU 123 CO 0.06 0.36 1.19 1.51 -0.56 0.00 0.00 175.26 177.82 2a55 n ILE 124 N 1.82 2.24 -0.00 -3.70 0.13 -1.26 -1.01 119.36 117.57 2a55 n ILE 124 Ca -0.17 -0.23 -0.09 0.00 -1.10 0.00 0.00 62.75 61.15 2a55 n ILE 124 Cb 0.54 -1.21 0.06 0.00 -0.84 0.00 0.00 39.64 38.19 2a55 n ILE 124 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 2a55 h LEU 125 N -0.80 0.63 -5.78 9.51 3.38 -0.80 -3.43 115.31 118.02 2a55 h LEU 125 Ca -0.47 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.20 2a55 h LEU 125 Cb 1.30 -0.18 -0.19 0.00 0.09 0.00 0.00 40.66 41.69 2a55 h LEU 125 CO 0.46 1.03 -0.32 -0.70 0.09 0.00 0.00 178.44 179.00 2a55 s GLU 126 N -4.05 0.57 -0.29 1.13 2.12 -1.26 -5.11 118.70 111.80 2a55 s GLU 126 Ca -0.07 -0.08 -0.23 0.00 0.36 0.00 0.00 54.97 54.94 2a55 s GLU 126 Cb 0.11 0.09 0.16 0.00 0.26 0.00 0.00 34.13 34.76 2a55 s GLU 126 CO 0.84 -0.85 1.21 -1.58 -0.54 0.00 0.00 175.26 174.33 2a55 s HIS 127 N 2.07 -0.29 -0.21 5.30 2.46 -1.26 -5.16 115.29 118.19 2a55 s HIS 127 Ca 0.16 0.68 -0.08 0.00 0.47 0.00 0.00 55.06 56.28 2a55 s HIS 127 Cb -0.03 0.39 0.09 0.00 -0.13 0.00 0.00 32.58 32.90 2a55 s HIS 127 CO -0.12 -0.14 0.47 -1.58 -2.47 0.00 0.00 174.74 170.90 2a55 s HIS 128 N 0.32 -0.86 0.06 3.88 5.04 -1.26 -4.86 115.29 117.60 2a55 s HIS 128 Ca 0.03 1.64 0.00 0.00 -1.54 0.00 0.00 55.06 55.19 2a55 s HIS 128 Cb -0.05 0.40 0.00 0.00 0.04 0.00 0.00 32.58 32.97 2a55 s HIS 128 CO -0.11 -0.49 0.00 1.58 -2.34 0.00 0.00 174.74 173.38 2a55 n HIS 129 N 5.13 -2.07 -3.65 3.88 -0.00 -1.26 -5.14 115.22 112.11 2a55 n HIS 129 Ca -0.12 0.18 -0.04 0.00 0.46 0.00 0.00 57.72 58.19 2a55 n HIS 129 Cb 0.51 0.85 -0.06 0.00 -0.12 0.00 0.00 29.99 31.18 2a55 n HIS 129 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2a55 s HIS 130 N -1.13 -1.16 0.05 1.57 5.65 -1.26 -5.17 115.29 113.83 2a55 s HIS 130 Ca 0.00 2.12 0.01 0.00 0.25 0.00 0.00 55.06 57.44 2a55 s HIS 130 Cb 0.00 0.67 -0.03 0.00 -1.18 0.00 0.00 32.58 32.04 2a55 s HIS 130 CO 0.00 -0.59 -0.06 -1.01 -0.65 0.00 0.00 174.74 172.44 2a55 s HIS 131 N 2.44 0.58 -2.59 3.88 4.02 -1.26 -5.29 115.29 117.07 2a55 s HIS 131 Ca -0.07 -0.67 0.27 0.00 1.02 0.00 0.00 55.06 55.61 2a55 s HIS 131 Cb -0.10 -0.37 0.89 0.00 -1.02 0.00 0.00 32.58 31.99 2a55 s HIS 131 CO -0.18 -0.17 1.66 1.58 1.02 0.00 0.00 174.74 178.65