#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v54 s TYR 3 N 0.00 2.60 0.27 0.00 -0.85 -1.26 -5.08 117.35 113.03 1v54 s TYR 3 Ca 0.00 -0.28 -0.30 0.00 -0.52 0.00 0.00 57.07 55.97 1v54 s TYR 3 Cb 0.00 -1.22 -0.13 0.00 0.38 0.00 0.00 41.96 40.99 1v54 s TYR 3 CO 0.00 0.61 1.28 -2.30 -1.52 0.00 0.00 175.55 173.62 1v54 n PRO 4 N -0.86 1.86 -2.12 -3.49 -0.02 -1.26 -2.37 135.00 126.74 1v54 n PRO 4 Ca -0.06 0.66 -0.19 0.00 -2.02 0.00 0.00 63.50 61.90 1v54 n PRO 4 Cb 0.60 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 1v54 n PRO 4 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1v54 n MET 5 N 1.35 -1.43 -2.17 -0.52 2.81 -1.26 -4.96 117.12 110.94 1v54 n MET 5 Ca 0.10 0.97 -0.41 0.00 -1.81 0.00 0.00 57.70 56.55 1v54 n MET 5 Cb 0.32 -5.44 -0.03 0.00 -0.71 0.00 0.00 33.22 27.37 1v54 n MET 5 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1v54 s GLN 6 N -4.53 4.37 -0.24 0.03 0.74 -1.00 -4.95 119.66 114.07 1v54 s GLN 6 Ca 0.00 2.13 -0.12 0.00 0.05 0.00 0.00 55.36 57.42 1v54 s GLN 6 Cb 0.00 -3.15 -0.16 0.00 1.10 0.00 0.00 33.01 30.80 1v54 s GLN 6 CO 0.00 -0.26 -0.14 1.28 -0.55 0.00 0.00 175.29 175.63 1v54 n LEU 7 N 2.18 2.19 0.00 3.68 4.77 -1.26 -5.06 117.00 123.51 1v54 n LEU 7 Ca 0.05 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1v54 n LEU 7 Cb 0.42 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1v54 n LEU 7 CO 0.58 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 1v54 n GLY 8 N 1.55 3.95 3.77 -0.72 0.00 -1.26 -5.11 105.19 107.36 1v54 n GLY 8 Ca -0.46 -1.92 -0.35 0.00 0.00 0.00 0.00 46.02 43.29 1v54 n GLY 8 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1v54 s PHE 9 N 2.16 2.59 0.52 1.61 0.40 -1.26 -5.00 117.98 119.00 1v54 s PHE 9 Ca 0.00 1.54 -0.22 0.00 -0.60 0.00 0.00 56.93 57.65 1v54 s PHE 9 Cb 0.00 -3.33 -0.06 0.00 0.51 0.00 0.00 43.02 40.14 1v54 s PHE 9 CO 0.00 -1.75 1.26 -0.65 0.70 0.00 0.00 175.22 174.79 1v54 s GLN 10 N -3.35 3.36 0.29 0.44 -0.21 -1.26 -4.90 119.66 114.03 1v54 s GLN 10 Ca 0.74 2.00 -0.30 0.00 0.02 0.00 0.00 55.36 57.82 1v54 s GLN 10 Cb -0.25 -2.27 -0.13 0.00 1.00 0.00 0.00 33.01 31.36 1v54 s GLN 10 CO 0.29 -0.94 1.36 -0.25 -2.12 0.00 0.00 175.29 173.63 1v54 n ASP 11 N -0.89 2.78 -4.71 5.90 10.43 -1.26 -4.84 116.55 123.96 1v54 n ASP 11 Ca 0.10 1.17 -0.42 0.00 2.57 0.00 0.00 54.79 58.21 1v54 n ASP 11 Cb 0.47 -1.46 -0.03 0.00 1.84 0.00 0.00 41.12 41.94 1v54 n ASP 11 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1v54 s ALA 12 N -0.50 3.75 -0.05 2.24 0.00 -1.26 -4.75 121.76 121.18 1v54 s ALA 12 Ca 0.62 1.32 0.17 0.00 0.00 0.00 0.00 51.96 54.07 1v54 s ALA 12 Cb -0.61 -3.64 -0.25 0.00 0.00 0.00 0.00 23.12 18.62 1v54 s ALA 12 CO 0.55 -0.86 0.31 2.41 0.00 0.00 0.00 175.76 178.17 1v54 n THR 13 N 4.17 0.22 -4.46 0.00 -1.04 -0.09 -4.90 114.28 108.18 1v54 n THR 13 Ca 0.14 -0.45 -0.24 0.00 -2.04 0.00 0.00 64.05 61.46 1v54 n THR 13 Cb 0.39 -0.03 -0.10 0.00 -1.82 0.00 0.00 70.33 68.77 1v54 n THR 13 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1v54 s SER 14 N -4.16 3.66 0.38 8.00 1.04 -1.25 -1.37 113.70 119.99 1v54 s SER 14 Ca -0.07 -1.02 0.05 0.00 0.48 0.00 0.00 55.95 55.40 1v54 s SER 14 Cb 0.10 -0.34 0.75 0.00 0.10 0.00 0.00 66.02 66.62 1v54 s SER 14 CO 0.70 0.02 2.00 -0.65 0.98 0.00 0.00 173.24 176.28 1v54 h PRO 15 N 2.23 0.59 -0.38 4.02 0.11 -1.95 -2.39 132.00 134.23 1v54 h PRO 15 Ca -0.40 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 1v54 h PRO 15 Cb 1.26 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1v54 h PRO 15 CO 0.61 0.45 -0.08 0.82 -0.21 0.00 0.00 178.00 179.59 1v54 h ILE 16 N 0.59 1.27 -0.25 4.15 1.08 -1.93 -1.92 117.51 120.51 1v54 h ILE 16 Ca 0.15 -1.15 -0.04 0.00 -0.39 0.00 0.00 64.86 63.44 1v54 h ILE 16 Cb 0.04 1.24 -0.01 0.00 -3.07 0.00 0.00 36.82 35.02 1v54 h ILE 16 CO -0.02 0.38 -0.02 -0.03 -0.69 0.00 0.00 178.15 177.76 1v54 h MET 17 N 0.53 0.38 -0.60 2.37 4.05 -1.69 -1.15 114.93 118.82 1v54 h MET 17 Ca 0.10 -0.07 -0.07 0.00 -0.28 0.00 0.00 59.70 59.38 1v54 h MET 17 Cb 0.59 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.30 1v54 h MET 17 CO 0.03 0.43 0.10 0.93 0.23 0.00 0.00 176.91 178.63 1v54 h GLU 18 N 0.37 0.99 -0.87 0.39 5.08 -1.20 -1.67 114.58 117.65 1v54 h GLU 18 Ca 0.08 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1v54 h GLU 18 Cb 0.29 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1v54 h GLU 18 CO 0.01 0.93 0.54 1.49 -1.00 0.00 0.00 179.01 180.98 1v54 h GLU 19 N 0.89 1.18 -0.26 2.33 4.57 -0.45 -2.49 114.58 120.34 1v54 h GLU 19 Ca 0.18 -0.10 -0.12 0.00 -1.18 0.00 0.00 59.36 58.14 1v54 h GLU 19 Cb 0.42 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1v54 h GLU 19 CO 0.01 0.82 -0.35 -0.07 -1.18 0.00 0.00 179.01 178.24 1v54 h LEU 20 N 1.20 0.60 -0.39 1.64 3.38 -0.93 -1.74 115.31 119.07 1v54 h LEU 20 Ca 0.31 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1v54 h LEU 20 Cb -0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1v54 h LEU 20 CO -0.06 0.90 0.23 -0.07 0.09 0.00 0.00 178.44 179.54 1v54 h LEU 21 N 0.49 0.47 -0.71 1.67 3.38 -0.89 0.14 115.31 119.85 1v54 h LEU 21 Ca 0.05 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1v54 h LEU 21 Cb 0.84 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1v54 h LEU 21 CO 0.07 0.39 -0.16 0.45 0.09 0.00 0.00 178.44 179.28 1v54 h HIS 22 N 0.51 0.92 -0.48 1.13 3.86 -1.34 -1.06 115.15 118.69 1v54 h HIS 22 Ca 0.14 -0.19 -0.10 0.00 -1.16 0.00 0.00 60.37 59.06 1v54 h HIS 22 Cb 0.01 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 1v54 h HIS 22 CO -0.03 0.92 -0.09 0.35 0.86 0.00 0.00 177.93 179.93 1v54 h PHE 23 N 0.73 0.95 -0.45 2.45 3.04 -0.99 -2.11 116.94 120.57 1v54 h PHE 23 Ca 0.11 -0.18 -0.12 0.00 3.98 0.00 0.00 57.97 61.76 1v54 h PHE 23 Cb 0.67 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.93 1v54 h PHE 23 CO 0.04 0.91 -0.21 1.25 -2.02 0.00 0.00 178.31 178.28 1v54 h HIS 24 N 0.78 1.03 -0.83 0.41 2.76 -0.43 -1.04 115.15 117.83 1v54 h HIS 24 Ca 0.13 -0.24 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 1v54 h HIS 24 Cb 0.60 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.28 1v54 h HIS 24 CO 0.03 1.03 0.54 -0.44 -1.30 0.00 0.00 177.93 177.79 1v54 h ASP 25 N 0.78 0.98 -0.06 3.26 3.32 -0.98 0.29 116.42 124.00 1v54 h ASP 25 Ca 0.11 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1v54 h ASP 25 Cb 0.76 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 1v54 h ASP 25 CO 0.06 0.72 0.03 -0.74 -1.72 0.00 0.00 179.24 177.60 1v54 h HIS 26 N 1.14 0.09 -0.27 4.55 -0.00 -1.11 -2.49 115.15 117.06 1v54 h HIS 26 Ca 0.30 -0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.57 1v54 h HIS 26 Cb -0.10 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 27.28 1v54 h HIS 26 CO -0.01 0.16 -0.23 1.15 -0.00 0.00 0.00 177.93 179.01 1v54 h THR 27 N -0.02 1.31 -0.24 6.26 2.02 -0.93 -3.10 112.91 118.21 1v54 h THR 27 Ca 0.02 -1.38 0.02 0.00 0.77 0.00 0.00 66.41 65.84 1v54 h THR 27 Cb 0.11 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1v54 h THR 27 CO -0.00 0.44 0.16 0.25 0.37 0.00 0.00 175.52 176.74 1v54 h LEU 28 N 0.36 0.22 -0.58 2.58 5.85 -0.43 -0.83 115.31 122.48 1v54 h LEU 28 Ca 0.05 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1v54 h LEU 28 Cb 0.78 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1v54 h LEU 28 CO 0.06 0.16 0.25 -0.03 -0.34 0.00 0.00 178.44 178.53 1v54 h MET 29 N 0.26 0.86 -0.65 1.25 4.05 -1.36 0.16 114.93 119.50 1v54 h MET 29 Ca 0.10 -0.15 -0.07 0.00 -0.28 0.00 0.00 59.70 59.30 1v54 h MET 29 Cb 0.08 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.71 1v54 h MET 29 CO -0.02 0.73 0.13 0.82 0.23 0.00 0.00 176.91 178.80 1v54 h ILE 30 N 0.80 1.26 -0.49 1.77 2.04 -1.20 -0.07 117.51 121.63 1v54 h ILE 30 Ca 0.20 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 1v54 h ILE 30 Cb 0.18 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1v54 h ILE 30 CO -0.02 0.37 0.19 0.58 0.00 0.00 0.00 178.15 179.27 1v54 h VAL 31 N 0.98 1.21 -0.15 1.67 2.07 -0.75 -1.34 116.25 119.94 1v54 h VAL 31 Ca 0.20 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1v54 h VAL 31 Cb 0.40 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1v54 h VAL 31 CO 0.01 0.24 0.05 -0.26 0.02 0.00 0.00 177.57 177.63 1v54 h PHE 32 N 0.64 0.23 0.01 1.57 0.05 -0.74 -1.70 116.94 117.01 1v54 h PHE 32 Ca 0.16 -0.02 0.02 0.00 3.82 0.00 0.00 57.97 61.95 1v54 h PHE 32 Cb 0.20 -0.07 -0.02 0.00 2.00 0.00 0.00 35.95 38.06 1v54 h PHE 32 CO 0.00 0.34 -0.12 1.25 -0.18 0.00 0.00 178.31 179.60 1v54 h LEU 33 N 0.07 -0.33 -0.33 1.54 5.85 -0.91 -0.91 115.31 120.28 1v54 h LEU 33 Ca 0.05 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 1v54 h LEU 33 Cb 0.21 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1v54 h LEU 33 CO -0.00 -0.17 -0.20 0.40 -0.34 0.00 0.00 178.44 178.13 1v54 h ILE 34 N -0.21 1.29 -0.33 4.05 2.04 -1.27 -0.79 117.51 122.30 1v54 h ILE 34 Ca 0.04 -1.33 -0.11 0.00 1.00 0.00 0.00 64.86 64.46 1v54 h ILE 34 Cb 0.25 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1v54 h ILE 34 CO -0.11 0.43 -0.26 0.77 0.00 0.00 0.00 178.15 178.99 1v54 h SER 35 N 0.49 0.67 0.34 1.72 4.64 -1.28 -1.16 113.55 118.97 1v54 h SER 35 Ca 0.07 -0.25 -0.19 0.00 -0.47 0.00 0.00 61.79 60.95 1v54 h SER 35 Cb 0.75 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1v54 h SER 35 CO 0.06 0.91 -0.80 0.77 -0.87 0.00 0.00 176.83 176.90 1v54 h SER 36 N 0.57 0.44 -0.58 4.97 4.64 -1.15 -1.61 113.55 120.83 1v54 h SER 36 Ca 0.08 -0.32 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 1v54 h SER 36 Cb 0.74 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.67 1v54 h SER 36 CO 0.06 1.08 0.29 0.25 -0.87 0.00 0.00 176.83 177.64 1v54 h LEU 37 N 0.23 0.75 -0.42 5.97 5.85 -0.91 0.16 115.31 126.94 1v54 h LEU 37 Ca -0.04 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 1v54 h LEU 37 Cb 1.39 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 1v54 h LEU 37 CO 0.13 0.65 0.03 0.58 -0.34 0.00 0.00 178.44 179.50 1v54 h VAL 38 N 0.79 1.25 -0.71 1.05 2.07 -1.13 -0.05 116.25 119.52 1v54 h VAL 38 Ca 0.20 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1v54 h VAL 38 Cb 0.09 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1v54 h VAL 38 CO -0.03 0.33 0.40 0.25 0.02 0.00 0.00 177.57 178.54 1v54 h LEU 39 N 0.57 0.89 0.04 2.57 5.85 -1.01 -0.59 115.31 123.63 1v54 h LEU 39 Ca 0.12 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1v54 h LEU 39 Cb 0.44 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1v54 h LEU 39 CO 0.02 0.73 -0.02 0.22 -0.34 0.00 0.00 178.44 179.05 1v54 h TYR 40 N 0.98 -0.05 -0.81 1.25 3.20 -0.48 -2.25 116.97 118.81 1v54 h TYR 40 Ca 0.25 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1v54 h TYR 40 Cb 0.03 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 1v54 h TYR 40 CO -0.00 0.14 0.51 0.82 -1.64 0.00 0.00 178.16 177.99 1v54 h ILE 41 N -0.23 1.22 -0.12 1.81 2.04 -0.79 0.25 117.51 121.68 1v54 h ILE 41 Ca -0.01 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.42 1v54 h ILE 41 Cb 0.21 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 1v54 h ILE 41 CO 0.01 0.22 0.01 0.40 0.00 0.00 0.00 178.15 178.80 1v54 h ILE 42 N 1.11 0.94 -0.45 -0.67 2.04 -0.99 -0.31 117.51 119.18 1v54 h ILE 42 Ca 0.29 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 66.10 1v54 h ILE 42 Cb -0.08 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1v54 h ILE 42 CO -0.06 0.01 0.15 0.77 0.00 0.00 0.00 178.15 179.02 1v54 h SER 43 N 0.06 0.60 -0.39 1.72 4.64 -0.83 -2.35 113.55 117.00 1v54 h SER 43 Ca 0.05 -0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 1v54 h SER 43 Cb 0.05 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 1v54 h SER 43 CO -0.08 0.57 0.08 0.25 -0.87 0.00 0.00 176.83 176.79 1v54 h LEU 44 N 0.65 0.60 -1.43 5.97 5.85 -0.24 -2.74 115.31 123.96 1v54 h LEU 44 Ca 0.15 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 1v54 h LEU 44 Cb 0.18 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1v54 h LEU 44 CO -0.01 0.69 -0.22 0.24 -0.34 0.00 0.00 178.44 178.80 1v54 h MET 45 N 0.49 0.10 -0.01 1.25 2.86 -0.71 -3.11 114.93 115.78 1v54 h MET 45 Ca 0.12 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1v54 h MET 45 Cb 0.33 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1v54 h MET 45 CO 0.00 0.32 -0.09 1.28 1.06 0.00 0.00 176.91 179.48 1v54 n LEU 46 N -4.24 1.52 -1.41 1.22 4.77 -0.92 -4.48 117.00 113.47 1v54 n LEU 46 Ca -0.02 -0.49 -0.09 0.00 -0.03 0.00 0.00 56.01 55.38 1v54 n LEU 46 Cb 0.30 -0.04 0.19 0.00 -2.33 0.00 0.00 43.42 41.54 1v54 n LEU 46 CO 0.38 0.26 0.80 0.35 -1.33 0.00 0.00 177.39 177.84 1v54 n THR 47 N 0.04 2.70 -3.88 -5.08 -2.24 -1.05 -5.00 114.28 99.76 1v54 n THR 47 Ca 0.16 -2.68 -0.11 0.00 -2.27 0.00 0.00 64.05 59.15 1v54 n THR 47 Cb 0.38 -0.39 -0.12 0.00 -2.10 0.00 0.00 70.33 68.10 1v54 n THR 47 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1v54 s THR 48 N -3.34 0.05 -1.15 4.28 -1.32 -1.26 -5.02 115.64 107.87 1v54 s THR 48 Ca 0.47 -0.41 0.26 0.00 -1.21 0.00 0.00 61.69 60.81 1v54 s THR 48 Cb 0.42 -0.24 0.13 0.00 -1.51 0.00 0.00 72.50 71.31 1v54 s THR 48 CO 0.01 -0.22 1.58 0.29 -2.21 0.00 0.00 174.62 174.07 1v54 n LYS 49 N 2.27 0.17 -2.30 7.08 4.76 -1.26 -4.88 118.16 124.00 1v54 n LYS 49 Ca -0.18 -0.08 -0.39 0.00 -2.87 0.00 0.00 58.31 54.79 1v54 n LYS 49 Cb 0.57 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.24 1v54 n LYS 49 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1v54 s LEU 50 N -2.89 4.26 0.12 -0.35 1.43 -1.26 -5.04 118.68 114.95 1v54 s LEU 50 Ca 0.15 2.37 0.03 0.00 -1.03 0.00 0.00 54.13 55.65 1v54 s LEU 50 Cb 0.18 -3.94 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 1v54 s LEU 50 CO 0.62 -0.60 -0.08 0.42 0.23 0.00 0.00 176.35 176.94 1v54 s THR 51 N -1.36 0.93 -0.37 5.49 -4.23 -1.26 -5.10 115.64 109.74 1v54 s THR 51 Ca 0.55 -1.96 0.07 0.00 -1.18 0.00 0.00 61.69 59.16 1v54 s THR 51 Cb -0.32 -1.73 0.18 0.00 1.34 0.00 0.00 72.50 71.98 1v54 s THR 51 CO 0.40 -0.79 0.59 -2.28 -0.54 0.00 0.00 174.62 172.00 1v54 s HIS 52 N -3.38 -1.61 -2.28 3.99 5.04 -1.26 -5.04 115.29 110.74 1v54 s HIS 52 Ca 0.13 0.36 0.21 0.00 -1.54 0.00 0.00 55.06 54.22 1v54 s HIS 52 Cb 0.03 0.23 0.09 0.00 0.04 0.00 0.00 32.58 32.98 1v54 s HIS 52 CO -0.02 -1.13 1.09 0.25 -2.34 0.00 0.00 174.74 172.59 1v54 n THR 53 N 4.68 0.00 -1.74 0.89 -2.24 -1.26 -4.99 114.28 109.62 1v54 n THR 53 Ca 0.09 -0.41 -0.29 0.00 -2.27 0.00 0.00 64.05 61.17 1v54 n THR 53 Cb 0.55 1.35 0.14 0.00 -2.10 0.00 0.00 70.33 70.27 1v54 n THR 53 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1v54 s SER 54 N -1.98 3.52 0.18 3.42 1.04 -1.26 -4.96 113.70 113.66 1v54 s SER 54 Ca 0.21 0.67 -0.32 0.00 0.48 0.00 0.00 55.95 56.99 1v54 s SER 54 Cb 0.17 -1.04 -0.12 0.00 0.10 0.00 0.00 66.02 65.13 1v54 s SER 54 CO 0.37 -2.52 1.75 0.41 0.98 0.00 0.00 173.24 174.23 1v54 n THR 55 N -3.70 0.09 -4.31 2.02 -1.04 -1.26 -5.00 114.28 101.08 1v54 n THR 55 Ca 0.10 -0.02 -0.34 0.00 -2.04 0.00 0.00 64.05 61.75 1v54 n THR 55 Cb 0.60 -2.00 -0.10 0.00 -1.82 0.00 0.00 70.33 67.00 1v54 n THR 55 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1v54 s MET 56 N 1.57 3.44 0.18 -2.82 1.00 -1.26 -5.10 119.30 116.30 1v54 s MET 56 Ca 0.77 -0.44 -0.30 0.00 0.00 0.00 0.00 55.69 55.72 1v54 s MET 56 Cb -0.51 -2.92 -0.07 0.00 0.00 0.00 0.00 34.83 31.33 1v54 s MET 56 CO 0.34 0.45 0.99 0.34 0.00 0.00 0.00 175.02 177.14 1v54 s ASP 57 N -0.17 7.48 -0.16 3.03 2.15 -1.26 -5.00 116.67 122.74 1v54 s ASP 57 Ca 0.05 1.94 0.10 0.00 0.43 0.00 0.00 52.55 55.07 1v54 s ASP 57 Cb -0.13 -2.60 -0.17 0.00 -0.30 0.00 0.00 42.92 39.72 1v54 s ASP 57 CO 0.02 -0.03 -0.01 0.00 -0.17 0.00 0.00 175.17 174.97 1v54 n ALA 58 N 2.16 1.61 -1.24 3.66 0.00 -1.26 -4.82 120.51 120.62 1v54 n ALA 58 Ca 0.01 -0.96 -0.43 0.00 0.00 0.00 0.00 53.44 52.06 1v54 n ALA 58 Cb 0.47 -0.04 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 1v54 n ALA 58 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1v54 n GLN 59 N -2.72 1.58 0.00 0.00 -0.06 -1.26 -2.67 117.38 112.25 1v54 n GLN 59 Ca -0.28 -1.92 0.00 0.00 -2.00 0.00 0.00 57.00 52.80 1v54 n GLN 59 Cb 0.96 -2.98 0.00 0.00 -4.06 0.00 0.00 30.24 24.16 1v54 n GLN 59 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 1v54 n GLU 60 N 7.03 0.00 0.14 3.69 -0.00 -1.26 -4.91 120.64 125.33 1v54 n GLU 60 Ca 0.49 0.00 0.12 0.00 -0.00 0.00 0.00 57.16 57.77 1v54 n GLU 60 Cb 0.41 0.00 0.09 0.00 -0.00 0.00 0.00 31.44 31.94 1v54 n GLU 60 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 1v54 h VAL 61 N 0.00 0.00 0.00 3.84 3.04 -1.83 -3.25 116.25 118.04 1v54 h VAL 61 Ca 0.00 -0.91 -0.01 0.00 -1.01 0.00 0.00 66.70 64.77 1v54 h VAL 61 Cb 0.00 1.60 -0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1v54 h VAL 61 CO 0.00 0.00 -0.04 -0.33 -1.01 0.00 0.00 177.57 176.19 1v54 h GLU 62 N 0.00 0.00 -0.11 4.17 5.08 -1.86 -2.22 114.58 119.64 1v54 h GLU 62 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1v54 h GLU 62 Cb 0.96 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 1v54 h GLU 62 CO 0.00 0.04 -0.11 1.15 -1.00 0.00 0.00 179.01 179.09 1v54 h THR 63 N 0.00 1.36 0.20 1.13 2.02 -1.85 -2.88 112.91 112.89 1v54 h THR 63 Ca -0.00 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 65.91 1v54 h THR 63 Cb 0.75 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1v54 h THR 63 CO 0.00 0.36 -0.10 0.40 0.37 0.00 0.00 175.52 176.55 1v54 h ILE 64 N -0.13 0.78 -0.05 3.11 1.08 -1.64 0.51 117.51 121.18 1v54 h ILE 64 Ca 0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.47 1v54 h ILE 64 Cb 0.63 0.78 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 1v54 h ILE 64 CO 0.03 0.00 0.02 -2.67 -0.69 0.00 0.00 178.15 174.84 1v54 n TRP 65 N -5.22 0.17 0.00 1.37 2.14 -0.86 -1.60 117.44 113.45 1v54 n TRP 65 Ca -0.09 -0.27 0.00 0.00 2.07 0.00 0.00 57.50 59.21 1v54 n TRP 65 Cb 0.14 -0.20 0.00 0.00 -0.81 0.00 0.00 31.31 30.44 1v54 n TRP 65 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 1v54 n THR 66 N 0.18 0.00 -0.08 -1.67 -1.04 -1.02 -4.66 114.28 105.99 1v54 n THR 66 Ca 0.03 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.91 1v54 n THR 66 Cb 0.42 -0.97 -0.05 0.00 -1.82 0.00 0.00 70.33 67.91 1v54 n THR 66 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1v54 h ILE 67 N 0.00 1.31 0.40 12.58 1.08 -0.81 -2.48 117.51 129.59 1v54 h ILE 67 Ca 0.00 -1.23 -0.02 0.00 -0.39 0.00 0.00 64.86 63.23 1v54 h ILE 67 Cb 0.69 1.59 -0.00 0.00 -3.07 0.00 0.00 36.82 36.03 1v54 h ILE 67 CO 0.00 0.38 -0.23 -0.07 -0.69 0.00 0.00 178.15 177.55 1v54 h LEU 68 N 0.23 -0.56 -1.64 1.44 4.07 -1.52 -0.34 115.31 117.00 1v54 h LEU 68 Ca 0.05 0.03 0.03 0.00 0.08 0.00 0.00 57.88 58.07 1v54 h LEU 68 Cb 0.65 0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.52 1v54 h LEU 68 CO 0.04 -0.37 0.29 -0.65 -1.08 0.00 0.00 178.44 176.67 1v54 h PRO 69 N -0.59 0.46 -0.59 1.13 0.11 -1.79 -0.18 132.00 130.55 1v54 h PRO 69 Ca -0.05 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.97 1v54 h PRO 69 Cb 0.47 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 1v54 h PRO 69 CO 0.06 0.30 0.12 0.00 -0.21 0.00 0.00 178.00 178.28 1v54 h ALA 70 N 1.75 0.78 -0.33 -0.75 0.00 -0.96 -0.06 119.26 119.69 1v54 h ALA 70 Ca 0.17 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1v54 h ALA 70 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1v54 h ALA 70 CO -0.04 0.50 0.04 0.82 0.00 0.00 0.00 179.25 180.57 1v54 h ILE 71 N 0.86 1.24 -0.89 0.00 2.04 0.28 -2.54 117.51 118.51 1v54 h ILE 71 Ca 0.18 -0.86 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 1v54 h ILE 71 Cb 0.38 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 1v54 h ILE 71 CO 0.01 0.28 0.55 0.40 0.00 0.00 0.00 178.15 179.39 1v54 h ILE 72 N 0.37 1.24 -0.67 -0.67 2.04 -0.84 -1.41 117.51 117.58 1v54 h ILE 72 Ca 0.10 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 1v54 h ILE 72 Cb 0.38 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 1v54 h ILE 72 CO 0.01 0.24 0.25 -0.07 0.00 0.00 0.00 178.15 178.59 1v54 h LEU 73 N 1.22 0.91 -0.67 1.44 3.38 -0.86 -2.34 115.31 118.38 1v54 h LEU 73 Ca 0.32 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 1v54 h LEU 73 Cb -0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1v54 h LEU 73 CO -0.06 0.82 -0.25 0.40 0.09 0.00 0.00 178.44 179.44 1v54 h ILE 74 N 0.97 1.27 0.00 1.22 2.04 -0.89 0.12 117.51 122.24 1v54 h ILE 74 Ca 0.22 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.71 1v54 h ILE 74 Cb 0.21 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1v54 h ILE 74 CO -0.02 0.46 0.00 0.18 0.00 0.00 0.00 178.15 178.77 1v54 n LEU 75 N -4.10 0.55 -0.12 1.44 4.32 -0.62 -1.49 117.00 116.99 1v54 n LEU 75 Ca -0.00 0.67 -0.23 0.00 -0.02 0.00 0.00 56.01 56.42 1v54 n LEU 75 Cb 0.45 -0.63 -0.11 0.00 -1.62 0.00 0.00 43.42 41.51 1v54 n LEU 75 CO 0.45 -0.62 -1.28 -0.38 -1.22 0.00 0.00 177.39 174.34 1v54 n ILE 76 N -2.14 1.54 -0.34 -0.08 5.41 -0.97 -4.57 119.36 118.21 1v54 n ILE 76 Ca 0.01 -0.47 -0.03 0.00 1.00 0.00 0.00 62.75 63.26 1v54 n ILE 76 Cb 0.17 -1.67 0.09 0.00 -0.71 0.00 0.00 39.64 37.52 1v54 n ILE 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1v54 h ALA 77 N -0.41 1.15 0.42 -1.39 0.00 -0.68 -2.67 119.26 115.68 1v54 h ALA 77 Ca -0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 1v54 h ALA 77 Cb 1.76 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1v54 h ALA 77 CO -0.21 0.59 -0.46 -0.07 0.00 0.00 0.00 179.25 179.10 1v54 h LEU 78 N 1.24 -1.27 -1.63 0.00 4.07 -1.51 0.87 115.31 117.07 1v54 h LEU 78 Ca 0.33 0.11 -0.04 0.00 0.08 0.00 0.00 57.88 58.35 1v54 h LEU 78 Cb -0.08 0.43 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 1v54 h LEU 78 CO -0.06 -0.59 -0.20 1.55 -1.08 0.00 0.00 178.44 178.05 1v54 h PRO 79 N -0.89 0.00 -0.12 1.13 0.13 -1.80 -1.37 132.00 129.08 1v54 h PRO 79 Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1v54 h PRO 79 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 1v54 h PRO 79 CO -0.08 0.20 0.04 1.03 -0.23 0.00 0.00 178.00 178.97 1v54 h SER 80 N 0.00 0.16 0.49 1.44 0.87 -1.10 -1.77 113.55 113.64 1v54 h SER 80 Ca -0.00 -0.17 -0.16 0.00 -1.23 0.00 0.00 61.79 60.23 1v54 h SER 80 Cb 0.44 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1v54 h SER 80 CO 0.03 0.29 -0.70 -0.07 -0.53 0.00 0.00 176.83 175.85 1v54 h LEU 81 N 0.03 0.21 -0.37 2.23 3.38 -0.64 -1.39 115.31 118.77 1v54 h LEU 81 Ca 0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1v54 h LEU 81 Cb 0.18 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1v54 h LEU 81 CO -0.00 0.84 0.17 -0.09 0.09 0.00 0.00 178.44 179.44 1v54 h ARG 82 N 0.12 0.53 -0.62 1.13 2.43 -1.11 -1.39 114.38 115.48 1v54 h ARG 82 Ca -0.02 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 58.97 1v54 h ARG 82 Cb 1.24 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 1v54 h ARG 82 CO 0.10 0.49 0.01 0.82 -1.51 0.00 0.00 179.97 179.88 1v54 h ILE 83 N 0.45 1.27 -0.36 1.20 2.04 -1.25 -1.68 117.51 119.19 1v54 h ILE 83 Ca 0.12 -1.15 0.05 0.00 1.00 0.00 0.00 64.86 64.88 1v54 h ILE 83 Cb 0.14 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1v54 h ILE 83 CO -0.01 0.42 0.10 0.25 0.00 0.00 0.00 178.15 178.91 1v54 h LEU 84 N 0.98 0.08 -0.70 1.44 5.85 -0.91 -1.03 115.31 121.04 1v54 h LEU 84 Ca 0.18 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.80 1v54 h LEU 84 Cb 0.56 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1v54 h LEU 84 CO 0.03 0.08 -0.54 1.88 -0.34 0.00 0.00 178.44 179.55 1v54 h TYR 85 N 0.24 0.39 -0.84 1.25 -1.99 -1.15 -3.02 116.97 111.85 1v54 h TYR 85 Ca 0.17 -0.13 0.01 0.00 2.00 0.00 0.00 58.73 60.77 1v54 h TYR 85 Cb 0.16 -0.07 -0.04 0.00 2.00 0.00 0.00 36.73 38.77 1v54 h TYR 85 CO -0.16 0.78 0.56 1.98 -0.00 0.00 0.00 178.16 181.32 1v54 h MET 86 N 0.24 1.10 0.00 4.88 4.05 -0.65 -0.37 114.93 124.18 1v54 h MET 86 Ca 0.00 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 1v54 h MET 86 Cb 1.03 -0.25 -0.00 0.00 -0.80 0.00 0.00 31.60 31.58 1v54 h MET 86 CO 0.09 0.73 -0.06 0.52 0.23 0.00 0.00 176.91 178.42 1v54 h MET 87 N 1.13 0.00 -0.00 0.39 2.86 -1.09 -2.40 114.93 115.82 1v54 h MET 87 Ca 0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 1v54 h MET 87 Cb -0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.55 1v54 h MET 87 CO -0.07 0.06 -0.63 -3.47 1.06 0.00 0.00 176.91 173.85 1v54 n ASP 88 N -3.28 0.79 -4.54 1.22 -0.08 -0.24 -4.93 116.55 105.49 1v54 n ASP 88 Ca -0.01 -0.62 -0.42 0.00 -1.51 0.00 0.00 54.79 52.24 1v54 n ASP 88 Cb 0.24 0.49 0.01 0.00 2.34 0.00 0.00 41.12 44.20 1v54 n ASP 88 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1v54 n GLU 89 N -1.34 0.99 -2.38 -0.67 1.02 -0.67 -4.91 120.64 112.68 1v54 n GLU 89 Ca 0.06 0.36 -0.42 0.00 -0.02 0.00 0.00 57.16 57.14 1v54 n GLU 89 Cb 0.34 -1.81 -0.03 0.00 -0.02 0.00 0.00 31.44 29.92 1v54 n GLU 89 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1v54 s ILE 90 N -1.35 3.88 0.00 -3.67 1.01 -1.26 -4.90 121.20 114.91 1v54 s ILE 90 Ca 0.64 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.66 1v54 s ILE 90 Cb -0.58 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.01 1v54 s ILE 90 CO 0.57 0.11 0.00 -0.46 0.00 0.00 0.00 174.94 175.16 1v54 n ASN 91 N 3.83 3.17 -2.61 3.58 2.04 -1.26 -5.11 115.26 118.89 1v54 n ASN 91 Ca 0.09 0.00 -0.01 0.00 -0.44 0.00 0.00 54.58 54.22 1v54 n ASN 91 Cb 0.46 0.58 -0.01 0.00 -2.53 0.00 0.00 39.78 38.27 1v54 n ASN 91 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1v54 n ASN 92 N -1.04 -6.02 -4.79 0.53 3.02 -1.26 -5.00 115.26 100.69 1v54 n ASN 92 Ca 0.00 1.34 -0.32 0.00 -0.03 0.00 0.00 54.58 55.57 1v54 n ASN 92 Cb 0.06 -5.07 0.06 0.00 -0.61 0.00 0.00 39.78 34.22 1v54 n ASN 92 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1v54 s PRO 93 N -1.34 2.70 0.02 3.52 0.04 -1.26 -4.91 135.00 133.76 1v54 s PRO 93 Ca -0.06 1.17 0.22 0.00 0.04 0.00 0.00 61.00 62.36 1v54 s PRO 93 Cb 0.00 -1.95 -0.20 0.00 0.04 0.00 0.00 34.50 32.39 1v54 s PRO 93 CO 0.74 -1.30 0.74 0.43 0.04 0.00 0.00 177.00 177.65 1v54 n SER 94 N -2.97 0.41 -3.75 6.66 7.64 -0.27 -4.97 113.62 116.37 1v54 n SER 94 Ca 0.09 -0.20 -0.13 0.00 1.01 0.00 0.00 58.87 59.63 1v54 n SER 94 Cb 0.53 1.39 -0.09 0.00 -1.01 0.00 0.00 64.21 65.03 1v54 n SER 94 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1v54 s LEU 95 N -4.19 0.77 -0.10 -3.43 2.96 -1.25 -5.09 118.68 108.36 1v54 s LEU 95 Ca -0.02 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.13 1v54 s LEU 95 Cb 0.14 1.29 0.01 0.00 0.50 0.00 0.00 46.19 48.14 1v54 s LEU 95 CO 0.87 -0.39 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.45 1v54 s THR 96 N -1.04 1.56 -0.01 3.68 2.01 -1.26 -0.79 115.64 119.78 1v54 s THR 96 Ca -0.11 -0.69 0.05 0.00 0.31 0.00 0.00 61.69 61.25 1v54 s THR 96 Cb -0.05 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 1v54 s THR 96 CO 0.04 0.45 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.56 1v54 s VAL 97 N 0.85 1.36 0.11 3.82 1.01 -0.12 -4.42 120.40 123.00 1v54 s VAL 97 Ca -0.09 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.22 1v54 s VAL 97 Cb -0.15 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1v54 s VAL 97 CO 0.00 0.38 -0.07 -0.54 0.00 0.00 0.00 175.10 174.88 1v54 s LYS 98 N -0.41 2.26 -0.03 2.72 1.02 -0.40 -0.93 119.74 123.97 1v54 s LYS 98 Ca 0.07 -0.98 0.01 0.00 0.02 0.00 0.00 55.97 55.08 1v54 s LYS 98 Cb -0.07 -2.37 0.02 0.00 -0.52 0.00 0.00 37.83 34.90 1v54 s LYS 98 CO -0.01 0.51 -0.02 -0.08 -0.92 0.00 0.00 175.35 174.84 1v54 s THR 99 N -1.28 0.30 -0.16 2.17 -1.32 0.15 -1.08 115.64 114.42 1v54 s THR 99 Ca 0.23 0.01 -0.03 0.00 -1.21 0.00 0.00 61.69 60.69 1v54 s THR 99 Cb -0.11 -0.36 -0.02 0.00 -1.51 0.00 0.00 72.50 70.49 1v54 s THR 99 CO 0.15 0.17 -0.06 -0.04 -2.21 0.00 0.00 174.62 172.63 1v54 s MET 100 N 0.92 3.59 0.27 7.08 -1.94 -0.22 -1.91 119.30 127.09 1v54 s MET 100 Ca -0.10 -0.56 -0.23 0.00 -1.71 0.00 0.00 55.69 53.09 1v54 s MET 100 Cb -0.13 -2.86 -0.09 0.00 2.01 0.00 0.00 34.83 33.75 1v54 s MET 100 CO -0.01 0.20 0.82 0.20 -0.01 0.00 0.00 175.02 176.22 1v54 s GLY 101 N 0.45 2.70 0.06 -0.03 0.00 0.34 -1.28 107.32 109.56 1v54 s GLY 101 Ca -0.05 0.33 -0.02 0.00 0.00 0.00 0.00 44.72 44.98 1v54 s GLY 101 CO 0.03 0.72 -0.01 0.30 0.00 0.00 0.00 173.10 174.15 1v54 s HIS 102 N -1.56 0.49 -0.92 1.90 3.76 -0.36 -1.59 115.29 117.01 1v54 s HIS 102 Ca 0.46 -1.03 -0.25 0.00 -0.15 0.00 0.00 55.06 54.10 1v54 s HIS 102 Cb -0.18 -0.36 -0.07 0.00 1.11 0.00 0.00 32.58 33.08 1v54 s HIS 102 CO 0.22 -0.40 2.03 -0.65 -0.85 0.00 0.00 174.74 175.09 1v54 s GLN 103 N -3.92 2.35 0.00 1.40 -0.21 -1.26 -1.94 119.66 116.08 1v54 s GLN 103 Ca 0.07 -0.27 0.00 0.00 0.02 0.00 0.00 55.36 55.18 1v54 s GLN 103 Cb 0.08 -5.04 0.00 0.00 1.00 0.00 0.00 33.01 29.05 1v54 s GLN 103 CO -0.10 -3.69 0.00 0.91 -2.12 0.00 0.00 175.29 170.29 1v54 n TRP 104 N 14.98 0.00 0.00 0.91 8.01 -1.26 -5.08 117.44 135.00 1v54 n TRP 104 Ca 0.42 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.61 1v54 n TRP 104 Cb 0.46 -1.04 0.00 0.00 -2.01 0.00 0.00 31.31 28.73 1v54 n TRP 104 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.69 179.16 1v54 n TYR 105 N -1.39 0.00 -4.70 -5.99 4.11 -0.82 -4.71 117.16 103.66 1v54 n TYR 105 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.59 1v54 n TYR 105 Cb 0.37 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.58 1v54 n TYR 105 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1v54 s TRP 106 N -2.00 2.61 0.09 -3.48 0.52 -1.03 -1.22 118.94 114.43 1v54 s TRP 106 Ca 0.00 -0.22 0.09 0.00 0.02 0.00 0.00 56.10 55.98 1v54 s TRP 106 Cb 0.00 -1.51 -0.04 0.00 -1.15 0.00 0.00 33.47 30.77 1v54 s TRP 106 CO 0.00 0.24 -0.20 -1.54 0.02 0.00 0.00 176.95 175.48 1v54 s SER 107 N -1.29 3.75 0.10 2.95 1.04 -0.40 0.34 113.70 120.20 1v54 s SER 107 Ca 0.14 -0.55 0.09 0.00 0.48 0.00 0.00 55.95 56.12 1v54 s SER 107 Cb -0.11 -0.51 -0.04 0.00 0.10 0.00 0.00 66.02 65.47 1v54 s SER 107 CO 0.05 0.20 -0.23 -0.31 0.98 0.00 0.00 173.24 173.93 1v54 s TYR 108 N -1.05 1.95 -0.05 5.02 2.02 0.04 -1.06 117.35 124.23 1v54 s TYR 108 Ca 0.16 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.44 1v54 s TYR 108 Cb -0.10 -1.08 0.03 0.00 -0.40 0.00 0.00 41.96 40.41 1v54 s TYR 108 CO 0.08 0.23 0.02 -1.21 -1.57 0.00 0.00 175.55 173.10 1v54 s GLU 109 N -1.88 0.31 -0.53 -0.62 2.02 -0.24 -1.99 118.70 115.76 1v54 s GLU 109 Ca 0.09 0.20 -0.00 0.00 0.02 0.00 0.00 54.97 55.28 1v54 s GLU 109 Cb -0.10 -0.73 0.14 0.00 0.10 0.00 0.00 34.13 33.54 1v54 s GLU 109 CO 0.04 -0.29 0.31 0.71 0.02 0.00 0.00 175.26 176.06 1v54 s TYR 110 N 1.90 3.40 -0.26 1.61 4.12 0.17 -1.27 117.35 127.02 1v54 s TYR 110 Ca 0.03 -2.84 0.11 0.00 0.02 0.00 0.00 57.07 54.38 1v54 s TYR 110 Cb -0.12 -3.06 0.49 0.00 -1.52 0.00 0.00 41.96 37.74 1v54 s TYR 110 CO -0.04 -0.84 1.41 0.25 0.02 0.00 0.00 175.55 176.35 1v54 n THR 111 N 3.60 2.43 0.00 -0.71 -2.24 -1.25 -2.96 114.28 113.15 1v54 n THR 111 Ca 0.05 -2.67 -0.12 0.00 -2.27 0.00 0.00 64.05 59.03 1v54 n THR 111 Cb 0.37 -0.30 -0.08 0.00 -2.10 0.00 0.00 70.33 68.22 1v54 n THR 111 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1v54 h ASP 112 N 1.04 0.05 0.00 3.42 3.32 -1.93 -3.42 116.42 118.90 1v54 h ASP 112 Ca 0.15 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 1v54 h ASP 112 Cb 1.51 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 41.04 1v54 h ASP 112 CO 0.29 0.29 -0.49 -1.22 -1.72 0.00 0.00 179.24 176.39 1v54 n TYR 113 N -4.94 0.00 -3.64 4.55 4.01 -1.26 -5.07 117.16 110.81 1v54 n TYR 113 Ca -0.07 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.47 1v54 n TYR 113 Cb 0.15 -0.14 -0.02 0.00 -0.31 0.00 0.00 39.34 39.02 1v54 n TYR 113 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1v54 s GLU 114 N -2.18 2.85 -1.13 -0.72 0.41 -1.26 -5.04 118.70 111.63 1v54 s GLU 114 Ca -0.07 -1.22 -0.07 0.00 -0.41 0.00 0.00 54.97 53.21 1v54 s GLU 114 Cb 0.01 -2.60 0.27 0.00 -1.78 0.00 0.00 34.13 30.04 1v54 s GLU 114 CO 0.10 0.04 1.42 -0.25 -0.49 0.00 0.00 175.26 176.08 1v54 n ASP 115 N -1.50 5.92 -4.71 -0.19 10.43 -1.26 -3.95 116.55 121.28 1v54 n ASP 115 Ca -0.00 -3.24 -0.37 0.00 2.57 0.00 0.00 54.79 53.75 1v54 n ASP 115 Cb 0.59 -1.35 -0.07 0.00 1.84 0.00 0.00 41.12 42.13 1v54 n ASP 115 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1v54 s LEU 116 N -1.72 4.22 -0.11 0.64 2.96 -1.16 -5.01 118.68 118.50 1v54 s LEU 116 Ca 0.33 0.57 -0.27 0.00 -0.22 0.00 0.00 54.13 54.53 1v54 s LEU 116 Cb 0.01 -2.47 0.06 0.00 0.50 0.00 0.00 46.19 44.29 1v54 s LEU 116 CO 0.03 0.03 0.64 -0.94 -1.32 0.00 0.00 176.35 174.80 1v54 s SER 117 N 0.67 -0.63 0.18 3.68 1.04 -1.26 -0.66 113.70 116.72 1v54 s SER 117 Ca 0.19 0.86 -0.19 0.00 0.48 0.00 0.00 55.95 57.29 1v54 s SER 117 Cb -0.14 0.79 0.04 0.00 0.10 0.00 0.00 66.02 66.81 1v54 s SER 117 CO 0.06 -0.47 0.55 0.72 0.98 0.00 0.00 173.24 175.08 1v54 s PHE 118 N -0.71 -0.27 0.24 5.02 -0.12 -0.84 -4.99 117.98 116.31 1v54 s PHE 118 Ca -0.08 -0.04 -0.04 0.00 -0.05 0.00 0.00 56.93 56.72 1v54 s PHE 118 Cb -0.02 0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 42.78 1v54 s PHE 118 CO 0.07 -0.90 0.48 -0.51 -0.05 0.00 0.00 175.22 174.30 1v54 s ASP 119 N -2.83 6.45 -0.23 1.98 1.01 -1.26 -0.78 116.67 121.00 1v54 s ASP 119 Ca 0.06 0.61 -0.02 0.00 0.71 0.00 0.00 52.55 53.91 1v54 s ASP 119 Cb -0.01 -2.10 0.07 0.00 1.01 0.00 0.00 42.92 41.89 1v54 s ASP 119 CO -0.06 -0.10 0.06 -0.55 0.21 0.00 0.00 175.17 174.72 1v54 s SER 120 N -3.01 3.28 0.12 0.27 0.15 0.15 -4.51 113.70 110.15 1v54 s SER 120 Ca 0.42 -1.08 0.06 0.00 0.70 0.00 0.00 55.95 56.05 1v54 s SER 120 Cb -0.11 -0.65 -0.04 0.00 -1.71 0.00 0.00 66.02 63.51 1v54 s SER 120 CO 0.28 -0.35 -0.02 -0.31 1.20 0.00 0.00 173.24 174.05 1v54 s TYR 121 N 1.82 2.90 0.31 3.44 2.02 -1.26 -2.48 117.35 124.10 1v54 s TYR 121 Ca 0.03 -0.09 -0.29 0.00 -0.37 0.00 0.00 57.07 56.35 1v54 s TYR 121 Cb -0.17 -1.46 -0.10 0.00 -0.40 0.00 0.00 41.96 39.82 1v54 s TYR 121 CO -0.15 0.48 1.28 1.41 -1.57 0.00 0.00 175.55 177.00 1v54 s MET 122 N -2.51 4.40 -0.18 -0.62 -2.45 -1.26 -0.69 119.30 115.99 1v54 s MET 122 Ca 0.25 2.14 -0.29 0.00 -1.25 0.00 0.00 55.69 56.54 1v54 s MET 122 Cb -0.11 -3.10 -0.01 0.00 1.25 0.00 0.00 34.83 32.87 1v54 s MET 122 CO 0.18 -0.13 1.20 0.42 1.05 0.00 0.00 175.02 177.74 1v54 s ILE 123 N -1.02 4.39 0.47 10.11 -1.09 0.78 -4.78 121.20 130.05 1v54 s ILE 123 Ca 0.49 1.67 -0.23 0.00 -2.23 0.00 0.00 60.65 60.35 1v54 s ILE 123 Cb -0.38 -4.08 -0.08 0.00 -1.58 0.00 0.00 42.46 36.33 1v54 s ILE 123 CO 0.50 -0.15 1.16 -2.65 -1.23 0.00 0.00 174.94 172.57 1v54 n PRO 124 N 6.54 1.55 -0.14 2.79 -0.02 -1.26 -4.65 135.00 139.80 1v54 n PRO 124 Ca 0.13 0.56 0.09 0.00 -2.02 0.00 0.00 63.50 62.26 1v54 n PRO 124 Cb 0.45 -2.28 0.41 0.00 -0.02 0.00 0.00 33.50 32.06 1v54 n PRO 124 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1v54 h THR 125 N 1.55 0.97 0.00 3.45 2.02 -1.98 -0.30 112.91 118.61 1v54 h THR 125 Ca -0.48 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1v54 h THR 125 Cb 1.32 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1v54 h THR 125 CO 0.57 0.11 0.00 0.77 0.37 0.00 0.00 175.52 177.34 1v54 h SER 126 N 0.61 0.00 -0.33 4.18 4.64 -2.03 -3.01 113.55 117.61 1v54 h SER 126 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1v54 h SER 126 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1v54 h SER 126 CO -0.10 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.24 1v54 n GLU 127 N -2.70 2.44 -2.06 4.77 1.02 -0.14 -5.01 120.64 118.94 1v54 n GLU 127 Ca 0.01 -1.97 -0.41 0.00 -0.02 0.00 0.00 57.16 54.77 1v54 n GLU 127 Cb 0.23 -1.30 -0.02 0.00 -0.02 0.00 0.00 31.44 30.33 1v54 n GLU 127 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1v54 s LEU 128 N -1.02 4.40 0.35 -4.62 1.43 -1.08 -4.90 118.68 113.24 1v54 s LEU 128 Ca 0.25 2.66 -0.19 0.00 -1.03 0.00 0.00 54.13 55.81 1v54 s LEU 128 Cb 0.13 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.62 1v54 s LEU 128 CO 0.18 -0.63 0.84 -0.54 0.23 0.00 0.00 176.35 176.43 1v54 s LYS 129 N -0.93 4.21 -0.06 1.70 1.02 -1.26 -4.94 119.74 119.48 1v54 s LYS 129 Ca 0.55 0.96 -0.39 0.00 0.02 0.00 0.00 55.97 57.11 1v54 s LYS 129 Cb -0.41 -2.46 -0.18 0.00 -0.52 0.00 0.00 37.83 34.26 1v54 s LYS 129 CO 0.47 0.14 1.38 -2.30 -0.92 0.00 0.00 175.35 174.12 1v54 n PRO 130 N -0.17 0.77 -0.16 -1.68 -0.02 -1.26 -1.07 135.00 131.40 1v54 n PRO 130 Ca 0.04 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1v54 n PRO 130 Cb 0.53 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1v54 n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1v54 n GLY 131 N 2.74 1.10 3.83 -1.23 0.00 -1.26 -5.05 105.19 105.32 1v54 n GLY 131 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 1v54 n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v54 s GLU 132 N -0.56 4.15 -0.13 1.61 2.02 -0.24 -5.04 118.70 120.52 1v54 s GLU 132 Ca 0.00 0.96 -0.25 0.00 0.02 0.00 0.00 54.97 55.69 1v54 s GLU 132 Cb 0.00 -2.27 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 1v54 s GLU 132 CO 0.00 0.04 0.82 -0.51 0.02 0.00 0.00 175.26 175.62 1v54 s LEU 133 N -3.11 4.23 0.29 1.80 1.43 -1.26 -4.92 118.68 117.13 1v54 s LEU 133 Ca 0.59 1.23 -0.30 0.00 -1.03 0.00 0.00 54.13 54.63 1v54 s LEU 133 Cb -0.09 -3.24 -0.11 0.00 0.03 0.00 0.00 46.19 42.78 1v54 s LEU 133 CO 0.15 -0.32 1.52 -0.60 0.23 0.00 0.00 176.35 177.33 1v54 s ARG 134 N 1.71 4.18 0.00 1.70 3.52 -1.26 -2.68 118.95 126.11 1v54 s ARG 134 Ca 0.40 2.47 0.00 0.00 -0.13 0.00 0.00 55.73 58.46 1v54 s ARG 134 Cb -0.17 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.17 1v54 s ARG 134 CO 0.15 -0.53 0.00 1.28 -0.81 0.00 0.00 175.30 175.39 1v54 n LEU 135 N 2.04 0.06 -0.04 -0.88 4.77 -1.26 -4.78 117.00 116.91 1v54 n LEU 135 Ca 0.07 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1v54 n LEU 135 Cb 0.39 -0.31 -0.11 0.00 -2.33 0.00 0.00 43.42 41.06 1v54 n LEU 135 CO 0.62 -0.03 -0.81 0.18 -1.33 0.00 0.00 177.39 176.03 1v54 n LEU 136 N 0.00 0.00 -4.81 2.23 4.77 -1.09 -4.51 117.00 113.58 1v54 n LEU 136 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 1v54 n LEU 136 Cb 0.00 0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 41.20 1v54 n LEU 136 CO 0.00 0.18 0.65 -1.61 -1.33 0.00 0.00 177.39 175.28 1v54 s GLU 137 N -2.62 4.28 0.19 3.23 0.41 -1.17 -4.67 118.70 118.35 1v54 s GLU 137 Ca -0.06 1.17 0.09 0.00 -0.41 0.00 0.00 54.97 55.76 1v54 s GLU 137 Cb 0.06 -2.30 -0.04 0.00 -1.78 0.00 0.00 34.13 30.07 1v54 s GLU 137 CO 0.56 0.01 -0.18 0.14 -0.49 0.00 0.00 175.26 175.30 1v54 s VAL 138 N -2.06 1.89 0.08 2.63 -7.23 -1.26 -0.16 120.40 114.28 1v54 s VAL 138 Ca 0.60 -2.04 -0.19 0.00 -1.81 0.00 0.00 61.98 58.54 1v54 s VAL 138 Cb -0.11 -1.95 -0.09 0.00 0.56 0.00 0.00 36.38 34.79 1v54 s VAL 138 CO 0.15 -0.38 1.49 -2.24 -0.31 0.00 0.00 175.10 173.81 1v54 h ASP 139 N 2.98 0.42 -3.71 4.85 -0.00 -1.21 -3.42 116.42 116.33 1v54 h ASP 139 Ca -0.41 -0.34 -0.67 0.00 -0.00 0.00 0.00 57.03 55.61 1v54 h ASP 139 Cb 1.22 -0.11 -0.35 0.00 -0.00 0.00 0.00 39.33 40.08 1v54 h ASP 139 CO 0.54 0.66 -0.77 0.20 -0.00 0.00 0.00 179.24 179.87 1v54 s ASN 140 N -5.98 4.41 0.64 4.15 0.01 -1.26 -5.03 114.94 111.87 1v54 s ASN 140 Ca -0.14 -1.22 -0.11 0.00 -0.71 0.00 0.00 52.86 50.69 1v54 s ASN 140 Cb 0.07 -1.60 -0.03 0.00 0.41 0.00 0.00 41.25 40.11 1v54 s ASN 140 CO 0.75 -0.18 1.03 -0.13 -1.51 0.00 0.00 177.10 177.06 1v54 s ARG 141 N 1.19 3.40 -0.88 -0.60 0.52 -1.26 -4.64 118.95 116.68 1v54 s ARG 141 Ca -0.05 0.64 -0.19 0.00 -0.52 0.00 0.00 55.73 55.61 1v54 s ARG 141 Cb -0.19 -2.08 0.13 0.00 0.52 0.00 0.00 34.95 33.34 1v54 s ARG 141 CO -0.05 -0.67 1.06 0.08 0.02 0.00 0.00 175.30 175.74 1v54 s VAL 142 N -3.20 4.79 0.10 3.52 1.01 -0.16 -4.90 120.40 121.57 1v54 s VAL 142 Ca 0.55 -1.54 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 1v54 s VAL 142 Cb -0.11 -4.73 -0.06 0.00 0.00 0.00 0.00 36.38 31.48 1v54 s VAL 142 CO 0.53 -1.44 1.16 -0.69 0.00 0.00 0.00 175.10 174.67 1v54 s VAL 143 N 2.54 3.97 0.04 2.92 1.01 -1.26 -0.35 120.40 129.27 1v54 s VAL 143 Ca 0.29 1.50 -0.07 0.00 0.00 0.00 0.00 61.98 63.70 1v54 s VAL 143 Cb -0.07 -3.96 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 1v54 s VAL 143 CO -0.07 0.17 0.14 -0.76 0.00 0.00 0.00 175.10 174.58 1v54 s LEU 144 N 0.54 1.58 0.02 3.92 1.43 0.43 -4.90 118.68 121.70 1v54 s LEU 144 Ca 0.55 -0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 52.93 1v54 s LEU 144 Cb -0.29 0.77 -0.04 0.00 0.03 0.00 0.00 46.19 46.66 1v54 s LEU 144 CO 0.31 -0.52 0.93 -2.16 0.23 0.00 0.00 176.35 175.15 1v54 s PRO 145 N -2.49 4.57 0.75 1.29 0.04 -1.26 -1.55 135.00 136.35 1v54 s PRO 145 Ca -0.06 1.34 -0.11 0.00 0.04 0.00 0.00 61.00 62.21 1v54 s PRO 145 Cb -0.02 -3.44 0.04 0.00 0.04 0.00 0.00 34.50 31.13 1v54 s PRO 145 CO -0.04 0.03 1.08 0.00 0.04 0.00 0.00 177.00 178.11 1v54 s MET 146 N 0.73 2.50 -1.47 4.56 0.23 0.61 -3.99 119.30 122.46 1v54 s MET 146 Ca 0.49 0.93 0.00 0.00 -1.03 0.00 0.00 55.69 56.08 1v54 s MET 146 Cb -0.21 -1.94 0.00 0.00 -1.53 0.00 0.00 34.83 31.15 1v54 s MET 146 CO 0.27 -1.40 0.00 0.39 -2.03 0.00 0.00 175.02 172.25 1v54 n GLU 147 N -3.33 -1.84 -4.28 3.16 1.02 0.24 -4.73 120.64 110.87 1v54 n GLU 147 Ca 0.08 0.83 -0.18 0.00 -0.02 0.00 0.00 57.16 57.87 1v54 n GLU 147 Cb 0.54 -5.39 -0.14 0.00 -0.02 0.00 0.00 31.44 26.43 1v54 n GLU 147 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1v54 s MET 148 N -4.69 0.69 -0.33 3.49 -1.94 -1.26 -5.01 119.30 110.26 1v54 s MET 148 Ca 0.00 -0.45 -0.29 0.00 -1.71 0.00 0.00 55.69 53.24 1v54 s MET 148 Cb 0.00 -0.64 0.01 0.00 2.01 0.00 0.00 34.83 36.21 1v54 s MET 148 CO 0.00 0.17 1.27 0.99 -0.01 0.00 0.00 175.02 177.44 1v54 s THR 149 N -0.49 4.17 -0.01 2.05 2.01 -1.26 -4.34 115.64 117.76 1v54 s THR 149 Ca 0.01 1.30 0.05 0.00 0.31 0.00 0.00 61.69 63.36 1v54 s THR 149 Cb -0.05 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 1v54 s THR 149 CO 0.00 -0.55 -0.16 -0.63 -0.69 0.00 0.00 174.62 172.60 1v54 s ILE 150 N 4.40 2.95 -0.26 1.82 1.01 0.11 -1.11 121.20 130.12 1v54 s ILE 150 Ca 0.55 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 60.16 1v54 s ILE 150 Cb -0.15 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 1v54 s ILE 150 CO 0.24 0.47 0.19 -0.60 0.00 0.00 0.00 174.94 175.24 1v54 s ARG 151 N -1.06 4.01 -0.18 2.79 3.52 0.03 -0.64 118.95 127.41 1v54 s ARG 151 Ca 0.13 -0.27 -0.06 0.00 -0.13 0.00 0.00 55.73 55.40 1v54 s ARG 151 Cb -0.11 -3.61 -0.03 0.00 -1.56 0.00 0.00 34.95 29.64 1v54 s ARG 151 CO 0.03 -0.08 0.03 -1.64 -0.81 0.00 0.00 175.30 172.82 1v54 s MET 152 N 1.47 3.81 -0.13 5.12 -1.94 0.30 -0.95 119.30 126.98 1v54 s MET 152 Ca 0.08 -0.43 -0.01 0.00 -1.71 0.00 0.00 55.69 53.61 1v54 s MET 152 Cb -0.15 -3.12 -0.02 0.00 2.01 0.00 0.00 34.83 33.55 1v54 s MET 152 CO 0.08 0.19 -0.08 -0.51 -0.01 0.00 0.00 175.02 174.69 1v54 s LEU 153 N 0.56 3.04 -0.06 -0.03 1.43 -0.10 -1.15 118.68 122.38 1v54 s LEU 153 Ca 0.01 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 52.98 1v54 s LEU 153 Cb -0.13 -1.70 -0.00 0.00 0.03 0.00 0.00 46.19 44.38 1v54 s LEU 153 CO 0.02 0.21 -0.20 -0.69 0.23 0.00 0.00 176.35 175.92 1v54 s VAL 154 N 0.11 1.67 0.16 -1.59 1.01 0.12 -0.68 120.40 121.20 1v54 s VAL 154 Ca -0.03 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 1v54 s VAL 154 Cb -0.14 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.81 1v54 s VAL 154 CO 0.04 0.47 0.25 -0.24 0.00 0.00 0.00 175.10 175.62 1v54 n SER 155 N 3.23 -0.72 -3.88 3.32 2.88 -0.80 -1.13 113.62 116.53 1v54 n SER 155 Ca -0.19 -1.78 -0.11 0.00 -1.33 0.00 0.00 58.87 55.47 1v54 n SER 155 Cb 0.53 1.27 -0.10 0.00 -0.75 0.00 0.00 64.21 65.16 1v54 n SER 155 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1v54 s SER 156 N -1.92 0.05 0.00 -3.46 0.15 -1.24 -0.50 113.70 106.77 1v54 s SER 156 Ca 0.11 -0.25 0.18 0.00 0.70 0.00 0.00 55.95 56.69 1v54 s SER 156 Cb -0.01 0.20 0.32 0.00 -1.71 0.00 0.00 66.02 64.82 1v54 s SER 156 CO 0.08 -0.38 1.25 -0.62 1.20 0.00 0.00 173.24 174.76 1v54 n GLU 157 N 1.40 2.15 0.00 5.44 1.02 -0.62 -3.87 120.64 126.16 1v54 n GLU 157 Ca -0.23 -1.99 0.00 0.00 -0.02 0.00 0.00 57.16 54.93 1v54 n GLU 157 Cb 0.56 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 1v54 n GLU 157 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1v54 n ASP 158 N 1.12 0.00 -4.10 1.62 5.68 -1.26 -5.05 116.55 114.56 1v54 n ASP 158 Ca 0.15 0.00 -0.20 0.00 -0.50 0.00 0.00 54.79 54.24 1v54 n ASP 158 Cb 0.50 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.59 1v54 n ASP 158 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1v54 n VAL 159 N 0.00 0.00 -2.42 2.12 0.24 -1.26 -4.61 118.33 112.40 1v54 n VAL 159 Ca 0.00 -1.28 -0.36 0.00 -2.04 0.00 0.00 64.34 60.66 1v54 n VAL 159 Cb 0.00 -1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 31.32 1v54 n VAL 159 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1v54 s LEU 160 N 0.00 4.02 0.32 1.34 1.43 -1.26 -4.64 118.68 119.88 1v54 s LEU 160 Ca 0.56 2.13 0.03 0.00 -1.03 0.00 0.00 54.13 55.82 1v54 s LEU 160 Cb -0.03 -4.30 -0.02 0.00 0.03 0.00 0.00 46.19 41.87 1v54 s LEU 160 CO 0.38 -0.75 0.33 -1.00 0.23 0.00 0.00 176.35 175.54 1v54 s HIS 161 N -1.68 1.43 -0.14 0.29 3.76 -0.80 -4.41 115.29 113.73 1v54 s HIS 161 Ca 0.63 -1.49 -0.06 0.00 -0.15 0.00 0.00 55.06 53.99 1v54 s HIS 161 Cb -0.24 -0.46 0.06 0.00 1.11 0.00 0.00 32.58 33.05 1v54 s HIS 161 CO 0.29 -0.94 0.31 0.45 -0.85 0.00 0.00 174.74 174.00 1v54 s SER 162 N -3.30 -0.04 -0.41 1.40 0.15 -1.26 -0.08 113.70 110.16 1v54 s SER 162 Ca 0.37 0.70 -0.24 0.00 0.70 0.00 0.00 55.95 57.47 1v54 s SER 162 Cb 0.02 0.76 0.02 0.00 -1.71 0.00 0.00 66.02 65.11 1v54 s SER 162 CO 0.23 -0.21 0.85 0.86 1.20 0.00 0.00 173.24 176.16 1v54 s TRP 163 N 2.02 3.02 0.03 3.44 -0.00 0.02 -0.93 118.94 126.54 1v54 s TRP 163 Ca -0.04 0.44 0.05 0.00 -0.00 0.00 0.00 56.10 56.55 1v54 s TRP 163 Cb -0.11 -3.67 -0.02 0.00 -0.00 0.00 0.00 33.47 29.67 1v54 s TRP 163 CO -0.10 -0.92 -0.15 0.00 -0.00 0.00 0.00 176.95 175.79 1v54 s ALA 164 N 3.39 1.21 -0.36 5.86 0.00 -1.26 -1.41 121.76 129.19 1v54 s ALA 164 Ca 0.34 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.50 1v54 s ALA 164 Cb -0.12 -0.21 0.15 0.00 0.00 0.00 0.00 23.12 22.94 1v54 s ALA 164 CO 0.21 0.24 0.28 0.08 0.00 0.00 0.00 175.76 176.57 1v54 s VAL 165 N -0.77 -0.00 0.25 0.00 1.01 -0.42 -3.47 120.40 116.99 1v54 s VAL 165 Ca 0.03 -1.56 -0.07 0.00 0.00 0.00 0.00 61.98 60.37 1v54 s VAL 165 Cb -0.08 -0.97 0.29 0.00 0.00 0.00 0.00 36.38 35.62 1v54 s VAL 165 CO 0.01 -0.88 1.63 -0.65 0.00 0.00 0.00 175.10 175.21 1v54 h PRO 166 N 6.89 0.08 -0.16 2.72 0.11 -1.74 -1.40 132.00 138.49 1v54 h PRO 166 Ca 0.08 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.23 1v54 h PRO 166 Cb 0.99 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1v54 h PRO 166 CO 0.25 0.05 0.18 0.77 -0.21 0.00 0.00 178.00 179.04 1v54 h SER 167 N 0.08 0.00 -0.02 -2.05 0.02 -1.85 -0.49 113.55 109.24 1v54 h SER 167 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 1v54 h SER 167 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1v54 h SER 167 CO -0.69 0.00 -0.26 0.18 -1.14 0.00 0.00 176.83 174.92 1v54 n LEU 168 N -3.80 2.29 -0.95 5.07 4.77 -0.56 -0.92 117.00 122.90 1v54 n LEU 168 Ca 0.01 -0.86 -0.06 0.00 -0.03 0.00 0.00 56.01 55.07 1v54 n LEU 168 Cb 0.30 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1v54 n LEU 168 CO 0.27 0.41 -0.02 0.61 -1.33 0.00 0.00 177.39 177.33 1v54 n GLY 169 N 1.30 0.28 3.51 -0.72 0.00 -0.19 -4.42 105.19 104.95 1v54 n GLY 169 Ca 0.10 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 1v54 n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v54 s LEU 170 N -2.13 2.85 -0.30 0.99 1.43 -0.99 -4.97 118.68 115.56 1v54 s LEU 170 Ca 0.06 -0.26 -0.09 0.00 -1.03 0.00 0.00 54.13 52.82 1v54 s LEU 170 Cb -0.03 -1.64 0.18 0.00 0.03 0.00 0.00 46.19 44.73 1v54 s LEU 170 CO 0.08 0.29 0.91 -0.75 0.23 0.00 0.00 176.35 177.11 1v54 s LYS 171 N -1.26 0.30 -0.10 1.70 2.20 -1.25 -1.31 119.74 120.03 1v54 s LYS 171 Ca 0.15 0.48 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 1v54 s LYS 171 Cb -0.11 0.26 0.02 0.00 -1.51 0.00 0.00 37.83 36.49 1v54 s LYS 171 CO 0.05 -0.37 -0.09 0.99 -0.36 0.00 0.00 175.35 175.57 1v54 s THR 172 N 2.92 1.04 0.45 3.43 2.01 -0.50 -4.98 115.64 120.02 1v54 s THR 172 Ca 0.09 -0.33 -0.24 0.00 0.31 0.00 0.00 61.69 61.52 1v54 s THR 172 Cb -0.10 -1.03 -0.07 0.00 0.01 0.00 0.00 72.50 71.30 1v54 s THR 172 CO -0.16 0.36 1.27 -1.81 -0.69 0.00 0.00 174.62 173.59 1v54 s ASP 173 N 1.46 6.04 -0.47 3.53 1.01 -1.26 -0.80 116.67 126.17 1v54 s ASP 173 Ca 0.00 2.56 -0.11 0.00 0.71 0.00 0.00 52.55 55.71 1v54 s ASP 173 Cb -0.13 -2.63 0.10 0.00 1.01 0.00 0.00 42.92 41.27 1v54 s ASP 173 CO -0.05 -1.03 0.36 0.00 0.21 0.00 0.00 175.17 174.66 1v54 s ALA 174 N -1.36 3.44 -0.16 5.23 0.00 0.88 -4.71 121.76 125.07 1v54 s ALA 174 Ca 0.62 -2.37 -0.02 0.00 0.00 0.00 0.00 51.96 50.20 1v54 s ALA 174 Cb -0.35 -2.90 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 1v54 s ALA 174 CO 0.44 -1.83 -0.09 0.42 0.00 0.00 0.00 175.76 174.70 1v54 s ILE 175 N 1.47 3.25 0.24 0.00 1.01 -1.26 -1.91 121.20 124.00 1v54 s ILE 175 Ca 0.04 -0.57 -0.30 0.00 0.00 0.00 0.00 60.65 59.82 1v54 s ILE 175 Cb -0.26 -2.41 -0.11 0.00 0.01 0.00 0.00 42.46 39.70 1v54 s ILE 175 CO 0.02 0.49 1.53 -2.16 0.00 0.00 0.00 174.94 174.82 1v54 s PRO 176 N 0.74 4.20 0.00 2.79 0.04 -1.25 -1.93 135.00 139.59 1v54 s PRO 176 Ca -0.04 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1v54 s PRO 176 Cb -0.15 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1v54 s PRO 176 CO 0.02 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 176.93 1v54 n GLY 177 N 2.58 0.75 3.02 0.56 0.00 -1.26 -4.97 105.19 105.87 1v54 n GLY 177 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 1v54 n GLY 177 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1v54 s ARG 178 N -0.32 0.54 -0.42 1.61 3.52 -0.81 -5.12 118.95 117.95 1v54 s ARG 178 Ca 0.00 -0.45 0.02 0.00 -0.13 0.00 0.00 55.73 55.17 1v54 s ARG 178 Cb 0.00 -0.46 0.11 0.00 -1.56 0.00 0.00 34.95 33.05 1v54 s ARG 178 CO 0.00 0.11 0.17 -1.17 -0.81 0.00 0.00 175.30 173.60 1v54 s LEU 179 N -0.71 4.84 0.07 -0.88 2.96 -1.26 -4.36 118.68 119.34 1v54 s LEU 179 Ca -0.02 -2.37 -0.22 0.00 -0.22 0.00 0.00 54.13 51.30 1v54 s LEU 179 Cb -0.05 -1.70 -0.07 0.00 0.50 0.00 0.00 46.19 44.87 1v54 s LEU 179 CO 0.00 -0.39 0.65 0.20 -1.32 0.00 0.00 176.35 175.49 1v54 s ASN 180 N 0.86 7.13 -0.03 3.68 0.01 -0.28 -4.85 114.94 121.46 1v54 s ASN 180 Ca 0.12 1.35 0.02 0.00 -0.71 0.00 0.00 52.86 53.64 1v54 s ASN 180 Cb -0.21 -2.41 -0.03 0.00 0.41 0.00 0.00 41.25 39.01 1v54 s ASN 180 CO -0.05 0.19 -0.06 -1.58 -1.51 0.00 0.00 177.10 174.09 1v54 s GLN 181 N -0.77 2.66 0.09 -0.60 0.74 -1.26 0.12 119.66 120.63 1v54 s GLN 181 Ca 0.32 -0.63 -0.10 0.00 0.05 0.00 0.00 55.36 55.00 1v54 s GLN 181 Cb -0.20 -2.56 0.00 0.00 1.10 0.00 0.00 33.01 31.35 1v54 s GLN 181 CO 0.21 0.63 0.21 -0.08 -0.55 0.00 0.00 175.29 175.71 1v54 s THR 182 N -0.92 0.13 0.03 -0.34 -1.32 -0.30 -5.01 115.64 107.92 1v54 s THR 182 Ca 0.15 -1.08 0.07 0.00 -1.21 0.00 0.00 61.69 59.63 1v54 s THR 182 Cb -0.11 -1.27 -0.03 0.00 -1.51 0.00 0.00 72.50 69.58 1v54 s THR 182 CO 0.05 -0.60 -0.21 0.42 -2.21 0.00 0.00 174.62 172.08 1v54 s THR 183 N -3.69 2.59 0.03 5.08 -4.23 -1.26 -0.54 115.64 113.62 1v54 s THR 183 Ca 0.03 -1.20 0.08 0.00 -1.18 0.00 0.00 61.69 59.42 1v54 s THR 183 Cb 0.04 -2.05 -0.02 0.00 1.34 0.00 0.00 72.50 71.80 1v54 s THR 183 CO -0.10 0.38 -0.23 -0.22 -0.54 0.00 0.00 174.62 173.91 1v54 s LEU 184 N -1.28 2.14 -0.29 4.79 0.20 0.19 -4.95 118.68 119.48 1v54 s LEU 184 Ca 0.13 -0.51 0.03 0.00 0.69 0.00 0.00 54.13 54.47 1v54 s LEU 184 Cb -0.10 -1.10 0.20 0.00 -0.43 0.00 0.00 46.19 44.75 1v54 s LEU 184 CO 0.04 0.21 0.64 -0.32 -0.29 0.00 0.00 176.35 176.63 1v54 s MET 185 N -1.04 0.52 -0.09 1.98 1.75 -1.26 -0.72 119.30 120.44 1v54 s MET 185 Ca 0.09 0.59 -0.21 0.00 -1.25 0.00 0.00 55.69 54.91 1v54 s MET 185 Cb -0.09 0.29 -0.04 0.00 2.84 0.00 0.00 34.83 37.83 1v54 s MET 185 CO 0.01 -0.90 0.60 0.45 -0.65 0.00 0.00 175.02 174.54 1v54 s SER 186 N 2.85 6.85 0.04 1.11 0.15 -1.26 -4.42 113.70 119.03 1v54 s SER 186 Ca 0.13 1.02 0.27 0.00 0.70 0.00 0.00 55.95 58.07 1v54 s SER 186 Cb -0.10 -2.36 1.09 0.00 -1.71 0.00 0.00 66.02 62.94 1v54 s SER 186 CO -0.25 -0.07 1.84 -1.20 1.20 0.00 0.00 173.24 174.77 1v54 n SER 187 N 3.74 0.16 -4.03 5.45 7.64 -0.47 -0.59 113.62 125.52 1v54 n SER 187 Ca -0.04 0.52 -0.08 0.00 1.01 0.00 0.00 58.87 60.28 1v54 n SER 187 Cb 0.51 -0.56 -0.09 0.00 -1.01 0.00 0.00 64.21 63.06 1v54 n SER 187 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1v54 s ARG 188 N -3.03 0.75 0.71 1.43 0.52 -1.26 -4.80 118.95 113.27 1v54 s ARG 188 Ca 0.12 -1.18 -0.09 0.00 -0.52 0.00 0.00 55.73 54.06 1v54 s ARG 188 Cb 0.16 0.26 0.04 0.00 0.52 0.00 0.00 34.95 35.94 1v54 s ARG 188 CO 0.51 -0.19 1.06 -1.25 0.02 0.00 0.00 175.30 175.45 1v54 s PRO 189 N -3.93 2.44 0.00 3.54 0.04 -1.26 -4.82 135.00 131.02 1v54 s PRO 189 Ca 0.09 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.22 1v54 s PRO 189 Cb 0.07 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1v54 s PRO 189 CO -0.08 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.19 1v54 n GLY 190 N -2.99 0.87 3.33 0.56 0.00 -0.48 -4.92 105.19 101.57 1v54 n GLY 190 Ca 0.07 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 1v54 n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v54 s LEU 191 N 0.00 2.49 -0.09 0.99 1.43 -1.26 -0.69 118.68 121.56 1v54 s LEU 191 Ca 0.00 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1v54 s LEU 191 Cb 0.00 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.71 1v54 s LEU 191 CO 0.00 0.19 -0.11 -0.31 0.23 0.00 0.00 176.35 176.35 1v54 s TYR 192 N 0.20 1.52 0.13 0.29 1.51 -0.20 -4.96 117.35 115.84 1v54 s TYR 192 Ca -0.10 -0.65 0.04 0.00 -1.01 0.00 0.00 57.07 55.34 1v54 s TYR 192 Cb -0.16 -1.16 -0.04 0.00 -0.11 0.00 0.00 41.96 40.49 1v54 s TYR 192 CO 0.06 -0.38 0.15 0.71 -1.11 0.00 0.00 175.55 174.98 1v54 s TYR 193 N 1.05 3.25 0.27 2.71 2.02 -1.26 -0.36 117.35 125.04 1v54 s TYR 193 Ca -0.07 0.06 -0.16 0.00 -0.37 0.00 0.00 57.07 56.53 1v54 s TYR 193 Cb -0.15 -1.59 0.01 0.00 -0.40 0.00 0.00 41.96 39.83 1v54 s TYR 193 CO -0.01 0.53 0.59 0.20 -1.57 0.00 0.00 175.55 175.29 1v54 s GLY 194 N -2.85 0.33 0.02 0.71 0.00 -0.27 -4.07 107.32 101.19 1v54 s GLY 194 Ca 0.31 -0.69 -0.01 0.00 0.00 0.00 0.00 44.72 44.34 1v54 s GLY 194 CO 0.24 -0.42 -0.01 1.20 0.00 0.00 0.00 173.10 174.11 1v54 s GLN 195 N -3.82 0.38 0.01 2.90 -0.21 -1.23 -0.63 119.66 117.06 1v54 s GLN 195 Ca 0.18 -0.69 -0.35 0.00 0.02 0.00 0.00 55.36 54.52 1v54 s GLN 195 Cb -0.03 0.14 -0.13 0.00 1.00 0.00 0.00 33.01 33.99 1v54 s GLN 195 CO 0.09 -0.07 1.71 0.00 -2.12 0.00 0.00 175.29 174.90 1v54 n SER 197 N 4.99 4.43 -3.66 0.00 7.64 -0.11 -4.88 113.62 122.04 1v54 n SER 197 Ca 0.20 -3.77 -0.08 0.00 1.01 0.00 0.00 58.87 56.23 1v54 n SER 197 Cb 0.27 -0.63 -0.09 0.00 -1.01 0.00 0.00 64.21 62.75 1v54 n SER 197 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1v54 s GLU 198 N -3.49 0.36 -0.22 1.43 2.56 -1.26 -4.61 118.70 113.47 1v54 s GLU 198 Ca 0.52 1.07 -0.40 0.00 0.00 0.00 0.00 54.97 56.16 1v54 s GLU 198 Cb 0.44 0.37 -0.16 0.00 2.00 0.00 0.00 34.13 36.78 1v54 s GLU 198 CO 0.01 -0.24 1.64 1.51 -0.56 0.00 0.00 175.26 177.63 1v54 n ILE 199 N 5.32 0.22 -1.34 -3.70 3.06 -1.26 -4.57 119.36 117.10 1v54 n ILE 199 Ca -0.10 -0.04 0.03 0.00 -2.50 0.00 0.00 62.75 60.14 1v54 n ILE 199 Cb 0.50 -1.08 0.04 0.00 0.54 0.00 0.00 39.64 39.65 1v54 n ILE 199 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1v54 n GLY 201 N -0.51 -0.36 0.39 0.00 0.00 -1.26 -4.80 105.19 98.65 1v54 n GLY 201 Ca 0.05 -2.19 0.32 0.00 0.00 0.00 0.00 46.02 44.20 1v54 n GLY 201 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1v54 h SER 202 N 0.00 0.34 -0.37 1.61 0.02 -2.02 -2.65 113.55 110.48 1v54 h SER 202 Ca 0.00 0.18 -0.28 0.00 -0.84 0.00 0.00 61.79 60.85 1v54 h SER 202 Cb 0.00 0.17 -0.26 0.00 0.14 0.00 0.00 62.40 62.45 1v54 h SER 202 CO 0.00 -0.24 -0.75 0.59 -1.14 0.00 0.00 176.83 175.29 1v54 n ASN 203 N -4.95 3.05 -0.20 3.07 3.02 -1.26 -4.78 115.26 113.21 1v54 n ASN 203 Ca 0.36 -3.49 0.10 0.00 -0.03 0.00 0.00 54.58 51.52 1v54 n ASN 203 Cb 1.27 -0.42 0.40 0.00 -0.61 0.00 0.00 39.78 40.41 1v54 n ASN 203 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 1v54 h HIS 204 N 1.68 0.71 0.00 3.10 -0.00 -1.78 0.64 115.15 119.49 1v54 h HIS 204 Ca 0.13 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.52 1v54 h HIS 204 Cb 1.34 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 28.52 1v54 h HIS 204 CO 0.73 0.31 0.00 0.43 -0.00 0.00 0.00 177.93 179.40 1v54 n SER 205 N -4.51 0.30 -2.43 3.26 7.64 -1.26 -4.09 113.62 112.53 1v54 n SER 205 Ca 0.14 0.54 -0.25 0.00 1.01 0.00 0.00 58.87 60.31 1v54 n SER 205 Cb 0.38 -0.62 0.01 0.00 -1.01 0.00 0.00 64.21 62.97 1v54 n SER 205 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1v54 n PHE 206 N -1.79 3.11 -3.12 1.43 3.01 0.22 -4.82 117.46 115.50 1v54 n PHE 206 Ca 0.05 -2.95 -0.21 0.00 1.01 0.00 0.00 57.45 55.35 1v54 n PHE 206 Cb 0.31 -0.14 -0.05 0.00 -0.01 0.00 0.00 39.48 39.59 1v54 n PHE 206 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1v54 n MET 207 N -0.48 0.74 -1.25 -1.08 0.00 -1.25 -4.55 117.12 109.25 1v54 n MET 207 Ca 0.37 -3.00 -0.29 0.00 0.00 0.00 0.00 57.70 54.78 1v54 n MET 207 Cb 0.72 -1.28 0.16 0.00 0.00 0.00 0.00 33.22 32.82 1v54 n MET 207 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1v54 s PRO 208 N -0.99 0.69 -0.09 3.17 0.04 -1.26 -3.52 135.00 133.05 1v54 s PRO 208 Ca 0.35 0.51 0.03 0.00 0.04 0.00 0.00 61.00 61.93 1v54 s PRO 208 Cb 0.19 -1.77 0.01 0.00 0.04 0.00 0.00 34.50 32.97 1v54 s PRO 208 CO -0.13 -2.55 -0.17 0.42 0.04 0.00 0.00 177.00 174.61 1v54 s ILE 209 N -3.02 1.55 -0.11 0.56 1.01 0.19 -4.82 121.20 116.56 1v54 s ILE 209 Ca 0.65 -0.72 -0.00 0.00 0.00 0.00 0.00 60.65 60.58 1v54 s ILE 209 Cb -0.18 -1.38 0.02 0.00 0.01 0.00 0.00 42.46 40.94 1v54 s ILE 209 CO 0.57 0.45 -0.07 -0.69 0.00 0.00 0.00 174.94 175.19 1v54 s VAL 210 N 0.59 1.00 -0.16 2.92 1.01 -1.26 -1.12 120.40 123.37 1v54 s VAL 210 Ca -0.15 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 1v54 s VAL 210 Cb -0.17 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1v54 s VAL 210 CO 0.05 0.36 0.12 -0.76 0.00 0.00 0.00 175.10 174.87 1v54 s LEU 211 N 1.71 4.19 -0.34 3.92 1.43 0.52 -0.98 118.68 129.12 1v54 s LEU 211 Ca 0.05 0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 53.42 1v54 s LEU 211 Cb -0.13 -2.05 0.07 0.00 0.03 0.00 0.00 46.19 44.11 1v54 s LEU 211 CO -0.08 0.27 0.07 -0.70 0.23 0.00 0.00 176.35 176.14 1v54 s GLU 212 N -0.19 2.24 -0.30 1.70 2.12 0.53 -1.04 118.70 123.77 1v54 s GLU 212 Ca 0.10 -1.48 -0.16 0.00 0.36 0.00 0.00 54.97 53.80 1v54 s GLU 212 Cb -0.12 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 1v54 s GLU 212 CO 0.01 -0.79 0.41 -0.51 -0.54 0.00 0.00 175.26 173.84 1v54 s LEU 213 N 1.20 4.18 0.26 2.70 2.01 0.14 -0.43 118.68 128.73 1v54 s LEU 213 Ca 0.00 0.15 0.01 0.00 0.01 0.00 0.00 54.13 54.30 1v54 s LEU 213 Cb -0.21 -2.46 -0.05 0.00 0.01 0.00 0.00 46.19 43.48 1v54 s LEU 213 CO -0.02 -0.28 0.09 0.68 1.01 0.00 0.00 176.35 177.83 1v54 s VAL 214 N 2.14 0.59 0.69 -1.59 -7.23 -0.60 -1.38 120.40 113.02 1v54 s VAL 214 Ca 0.16 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.17 1v54 s VAL 214 Cb -0.16 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 34.18 1v54 s VAL 214 CO 0.11 -0.02 1.20 -2.84 -0.31 0.00 0.00 175.10 173.24 1v54 s PRO 215 N -4.02 2.41 0.25 4.82 0.02 -1.26 -0.29 135.00 136.92 1v54 s PRO 215 Ca 0.37 1.76 -0.04 0.00 0.02 0.00 0.00 61.00 63.11 1v54 s PRO 215 Cb 0.08 -1.87 0.48 0.00 0.02 0.00 0.00 34.50 33.22 1v54 s PRO 215 CO 0.13 -1.63 1.68 1.25 -0.33 0.00 0.00 177.00 178.10 1v54 h LEU 216 N 0.05 -0.00 -0.75 -5.54 5.85 -1.93 -1.53 115.31 111.45 1v54 h LEU 216 Ca -0.48 0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.49 1v54 h LEU 216 Cb 1.29 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 42.46 1v54 h LEU 216 CO 0.51 -0.05 0.38 0.11 -0.34 0.00 0.00 178.44 179.05 1v54 h LYS 217 N 0.26 0.60 -0.10 1.25 1.79 -2.00 0.17 116.57 118.53 1v54 h LYS 217 Ca 0.43 -0.04 -0.14 0.00 -2.18 0.00 0.00 60.65 58.72 1v54 h LYS 217 Cb 0.74 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 1v54 h LYS 217 CO -0.53 0.40 -0.56 1.88 -1.08 0.00 0.00 179.45 179.56 1v54 h TYR 218 N 0.62 0.38 -0.61 -1.35 0.05 -1.66 -2.68 116.97 111.71 1v54 h TYR 218 Ca 0.38 -0.14 -0.02 0.00 0.05 0.00 0.00 58.73 59.00 1v54 h TYR 218 Cb 0.43 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.07 1v54 h TYR 218 CO -0.10 0.79 0.31 0.35 -1.05 0.00 0.00 178.16 178.46 1v54 h PHE 219 N 0.23 0.87 -0.46 4.88 3.57 -0.36 -0.62 116.94 125.06 1v54 h PHE 219 Ca 0.00 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 1v54 h PHE 219 Cb 1.05 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 1v54 h PHE 219 CO 0.03 0.65 0.13 0.93 -2.23 0.00 0.00 178.31 177.82 1v54 h GLU 220 N 0.84 0.72 -0.48 1.11 5.08 -0.89 0.61 114.58 121.57 1v54 h GLU 220 Ca 0.21 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 1v54 h GLU 220 Cb 0.09 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1v54 h GLU 220 CO -0.03 0.69 -0.12 0.87 -1.00 0.00 0.00 179.01 179.42 1v54 h LYS 221 N 0.60 0.89 -0.72 2.33 1.57 -1.35 -1.44 116.57 118.45 1v54 h LYS 221 Ca 0.15 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1v54 h LYS 221 Cb 0.28 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1v54 h LYS 221 CO -0.00 0.96 0.39 2.35 -0.57 0.00 0.00 179.45 182.58 1v54 h TRP 222 N 0.79 0.98 -0.02 -1.35 7.01 -0.86 -1.34 115.95 121.16 1v54 h TRP 222 Ca 0.13 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.12 1v54 h TRP 222 Cb 0.64 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 1v54 h TRP 222 CO 0.04 0.69 -0.05 0.77 -2.79 0.00 0.00 178.44 177.10 1v54 h SER 223 N 0.98 -0.15 0.06 2.65 0.02 -0.20 -0.95 113.55 115.96 1v54 h SER 223 Ca 0.25 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.25 1v54 h SER 223 Cb 0.03 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 1v54 h SER 223 CO -0.04 -0.07 -0.19 0.00 -1.14 0.00 0.00 176.83 175.38 1v54 h ALA 224 N 0.93 -0.29 0.00 3.77 0.00 -1.10 -2.09 119.26 120.49 1v54 h ALA 224 Ca 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1v54 h ALA 224 Cb 0.12 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1v54 h ALA 224 CO -0.07 -0.71 -0.01 0.66 0.00 0.00 0.00 179.25 179.13 1v54 h SER 225 N -0.35 0.00 -0.06 0.00 4.64 -1.07 -1.97 113.55 114.75 1v54 h SER 225 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1v54 h SER 225 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1v54 h SER 225 CO -0.14 0.01 0.00 0.80 -0.87 0.00 0.00 176.83 176.63 1v54 n MET 226 N -3.21 1.75 0.00 4.77 0.00 -0.38 -5.08 117.12 114.98 1v54 n MET 226 Ca -0.03 -1.10 0.02 0.00 0.00 0.00 0.00 57.70 56.60 1v54 n MET 226 Cb 0.11 -1.46 0.13 0.00 0.00 0.00 0.00 33.22 31.99 1v54 n MET 226 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25