#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdm n SER 5 N 0.00 0.51 0.15 1.61 7.64 -1.26 -4.38 113.62 117.89 3bdm n SER 5 Ca 0.00 -0.36 0.15 0.00 1.01 0.00 0.00 58.87 59.67 3bdm n SER 5 Cb 0.00 1.30 0.48 0.00 -1.01 0.00 0.00 64.21 64.98 3bdm n SER 5 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3bdm h ARG 6 N 0.00 0.00 -0.94 1.43 2.43 -2.10 -0.90 114.38 114.31 3bdm h ARG 6 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3bdm h ARG 6 Cb 0.77 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.27 3bdm h ARG 6 CO 0.00 0.00 0.58 -0.09 -1.51 0.00 0.00 179.97 178.95 3bdm h ARG 7 N 0.00 1.27 -0.61 0.20 2.43 -2.09 -3.09 114.38 112.49 3bdm h ARG 7 Ca 0.16 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3bdm h ARG 7 Cb 1.68 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 3bdm h ARG 7 CO -0.00 0.88 0.00 0.66 -1.51 0.00 0.00 179.97 180.00 3bdm n TYR 8 N -4.36 0.81 -2.48 2.20 4.02 -0.34 -4.95 117.16 112.06 3bdm n TYR 8 Ca 0.11 -0.43 -0.43 0.00 -0.01 0.00 0.00 57.90 57.14 3bdm n TYR 8 Cb 0.05 -0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.35 3bdm n TYR 8 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3bdm s ASP 9 N -1.12 6.53 0.26 7.72 3.68 -1.17 -4.91 116.67 127.65 3bdm s ASP 9 Ca 0.44 0.72 0.24 0.00 2.13 0.00 0.00 52.55 56.08 3bdm s ASP 9 Cb 0.24 -2.54 0.97 0.00 -1.45 0.00 0.00 42.92 40.13 3bdm s ASP 9 CO 0.31 -1.30 1.73 -1.20 0.13 0.00 0.00 175.17 174.84 3bdm n SER 10 N 8.19 0.71 -3.50 -0.34 7.64 -1.26 -4.92 113.62 120.13 3bdm n SER 10 Ca 0.14 0.66 -0.24 0.00 1.01 0.00 0.00 58.87 60.44 3bdm n SER 10 Cb 0.48 -0.81 0.05 0.00 -1.01 0.00 0.00 64.21 62.92 3bdm n SER 10 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3bdm n ARG 11 N -2.26 -2.11 0.00 1.43 1.74 -1.26 -4.81 116.66 109.39 3bdm n ARG 11 Ca 0.03 0.65 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 3bdm n ARG 11 Cb 0.26 -4.96 0.00 0.00 -1.02 0.00 0.00 32.46 26.74 3bdm n ARG 11 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3bdm n THR 12 N -3.80 1.36 -2.72 0.55 -2.24 -1.26 -3.46 114.28 102.70 3bdm n THR 12 Ca -0.11 0.34 -0.26 0.00 -2.27 0.00 0.00 64.05 61.75 3bdm n THR 12 Cb 0.61 -1.34 -0.02 0.00 -2.10 0.00 0.00 70.33 67.49 3bdm n THR 12 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3bdm n THR 13 N -1.34 2.52 -4.36 4.28 -2.24 -1.26 -4.57 114.28 107.30 3bdm n THR 13 Ca 0.00 -5.12 -0.18 0.00 -2.27 0.00 0.00 64.05 56.48 3bdm n THR 13 Cb 0.00 -1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 66.93 3bdm n THR 13 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3bdm s ILE 14 N -4.84 1.07 0.22 2.28 -0.00 -1.22 -4.92 121.20 113.79 3bdm s ILE 14 Ca 0.47 -2.03 -0.11 0.00 -0.00 0.00 0.00 60.65 58.98 3bdm s ILE 14 Cb 0.35 -2.46 -0.07 0.00 -0.00 0.00 0.00 42.46 40.27 3bdm s ILE 14 CO -0.15 -0.23 0.56 -0.36 -0.00 0.00 0.00 174.94 174.75 3bdm s PHE 15 N -3.39 3.45 0.60 1.37 0.08 -1.26 -4.15 117.98 114.69 3bdm s PHE 15 Ca 0.31 0.93 -0.06 0.00 0.12 0.00 0.00 56.93 58.23 3bdm s PHE 15 Cb 0.06 -2.30 0.02 0.00 -0.57 0.00 0.00 43.02 40.23 3bdm s PHE 15 CO 0.11 0.28 0.91 -1.54 -0.10 0.00 0.00 175.22 174.88 3bdm s SER 16 N -2.24 5.46 0.59 1.36 1.04 0.27 -4.86 113.70 115.31 3bdm s SER 16 Ca 0.46 0.63 0.38 0.00 0.48 0.00 0.00 55.95 57.90 3bdm s SER 16 Cb -0.12 -1.57 2.05 0.00 0.10 0.00 0.00 66.02 66.49 3bdm s SER 16 CO 0.21 -1.15 2.15 -0.65 0.98 0.00 0.00 173.24 174.78 3bdm h PRO 17 N -0.22 0.00 -0.46 4.02 0.11 -1.99 0.29 132.00 133.75 3bdm h PRO 17 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3bdm h PRO 17 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3bdm h PRO 17 CO 0.60 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.78 3bdm n GLU 18 N -2.87 2.08 -2.66 1.05 4.71 -1.26 -4.91 120.64 116.78 3bdm n GLU 18 Ca -0.03 -1.65 -0.10 0.00 -0.01 0.00 0.00 57.16 55.37 3bdm n GLU 18 Cb 0.11 -1.37 0.02 0.00 -1.01 0.00 0.00 31.44 29.20 3bdm n GLU 18 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3bdm n GLY 19 N 1.22 0.16 3.49 0.62 0.00 0.10 -5.04 105.19 105.74 3bdm n GLY 19 Ca 0.15 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 3bdm n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bdm s ARG 20 N -5.13 1.76 -0.64 1.61 0.52 -1.25 -4.80 118.95 111.02 3bdm s ARG 20 Ca 0.16 -1.59 -0.12 0.00 -0.52 0.00 0.00 55.73 53.65 3bdm s ARG 20 Cb -0.07 -1.89 0.16 0.00 0.52 0.00 0.00 34.95 33.67 3bdm s ARG 20 CO 0.19 0.37 0.56 -0.51 0.02 0.00 0.00 175.30 175.93 3bdm s LEU 21 N -3.20 6.19 0.02 2.53 1.43 -1.26 0.94 118.68 125.32 3bdm s LEU 21 Ca 0.27 -2.27 -0.04 0.00 -1.03 0.00 0.00 54.13 51.06 3bdm s LEU 21 Cb -0.06 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 3bdm s LEU 21 CO 0.14 -0.66 0.65 -1.22 0.23 0.00 0.00 176.35 175.49 3bdm n TYR 22 N 4.51 -0.05 -0.23 0.29 4.01 -1.26 -1.16 117.16 123.26 3bdm n TYR 22 Ca -0.00 0.15 0.03 0.00 -0.16 0.00 0.00 57.90 57.91 3bdm n TYR 22 Cb 0.42 -0.35 0.12 0.00 -0.31 0.00 0.00 39.34 39.23 3bdm n TYR 22 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3bdm h GLN 23 N 0.00 0.08 -0.23 -0.72 1.08 -1.90 0.22 115.11 113.63 3bdm h GLN 23 Ca 0.02 -0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.24 3bdm h GLN 23 Cb 0.05 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 3bdm h GLN 23 CO -0.11 0.05 0.07 0.28 -0.95 0.00 0.00 178.83 178.17 3bdm h VAL 24 N 0.08 0.93 0.24 -0.54 2.07 -1.47 0.33 116.25 117.89 3bdm h VAL 24 Ca 0.36 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.83 3bdm h VAL 24 Cb 0.60 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 3bdm h VAL 24 CO -0.63 0.03 -0.44 -0.33 0.02 0.00 0.00 177.57 176.23 3bdm h GLU 25 N 0.17 -0.72 -0.83 1.57 4.39 0.13 -0.25 114.58 119.03 3bdm h GLU 25 Ca 0.10 0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.88 3bdm h GLU 25 Cb 0.08 0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 28.85 3bdm h GLU 25 CO -0.11 -0.48 0.55 1.88 -1.16 0.00 0.00 179.01 179.68 3bdm h TYR 26 N -0.75 1.00 -0.34 4.33 0.05 -0.41 -1.02 116.97 119.83 3bdm h TYR 26 Ca -0.01 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 3bdm h TYR 26 Cb 0.73 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 38.11 3bdm h TYR 26 CO -0.32 0.59 -0.02 0.00 -1.05 0.00 0.00 178.16 177.35 3bdm h ALA 27 N 1.51 1.34 -0.37 3.88 0.00 0.15 -0.62 119.26 125.16 3bdm h ALA 27 Ca 0.33 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3bdm h ALA 27 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3bdm h ALA 27 CO -0.10 0.45 -0.30 -0.07 0.00 0.00 0.00 179.25 179.24 3bdm h LEU 28 N 0.51 0.82 -1.49 0.00 3.38 0.15 -0.93 115.31 117.74 3bdm h LEU 28 Ca 0.11 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.75 3bdm h LEU 28 Cb 0.36 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3bdm h LEU 28 CO 0.01 1.06 0.35 -0.08 0.09 0.00 0.00 178.44 179.87 3bdm h GLU 29 N 0.67 0.68 -0.02 1.13 4.57 -0.21 -0.73 114.58 120.66 3bdm h GLU 29 Ca 0.08 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3bdm h GLU 29 Cb 0.84 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.27 3bdm h GLU 29 CO 0.07 0.45 -0.00 1.03 -1.18 0.00 0.00 179.01 179.37 3bdm h SER 30 N 0.70 0.03 -0.59 1.04 0.87 -0.44 -3.05 113.55 112.12 3bdm h SER 30 Ca 0.19 -0.37 0.11 0.00 -1.23 0.00 0.00 61.79 60.50 3bdm h SER 30 Cb -0.06 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 3bdm h SER 30 CO -0.04 0.40 0.40 0.40 -0.53 0.00 0.00 176.83 177.45 3bdm h ILE 31 N -0.33 0.85 0.00 2.23 1.08 -0.21 -1.82 117.51 119.31 3bdm h ILE 31 Ca 0.00 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 3bdm h ILE 31 Cb 0.38 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 34.65 3bdm h ILE 31 CO 0.00 0.06 0.02 0.77 -0.69 0.00 0.00 178.15 178.31 3bdm h SER 32 N 0.31 0.00 -0.43 1.72 4.64 -1.05 0.86 113.55 119.59 3bdm h SER 32 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3bdm h SER 32 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3bdm h SER 32 CO -0.06 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.31 3bdm n HIS 33 N -2.98 0.56 -3.09 4.77 8.25 -0.68 -3.11 115.22 118.93 3bdm n HIS 33 Ca -0.03 -0.30 -0.32 0.00 -0.26 0.00 0.00 57.72 56.82 3bdm n HIS 33 Cb 0.08 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.14 3bdm n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bdm s ALA 34 N -1.34 3.37 0.45 -1.41 0.00 0.30 -4.85 121.76 118.27 3bdm s ALA 34 Ca 0.38 -0.09 -0.21 0.00 0.00 0.00 0.00 51.96 52.04 3bdm s ALA 34 Cb 0.22 -2.70 -0.12 0.00 0.00 0.00 0.00 23.12 20.52 3bdm s ALA 34 CO 0.30 0.24 0.47 0.41 0.00 0.00 0.00 175.76 177.18 3bdm n GLY 35 N -0.65 -1.69 3.78 0.00 0.00 -1.26 -0.85 105.19 104.51 3bdm n GLY 35 Ca 0.03 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3bdm n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bdm s THR 36 N -1.57 3.96 -0.02 2.61 2.01 -1.26 -4.20 115.64 117.18 3bdm s THR 36 Ca 0.63 1.67 0.01 0.00 0.31 0.00 0.00 61.69 64.31 3bdm s THR 36 Cb -0.57 -3.94 0.01 0.00 0.01 0.00 0.00 72.50 68.01 3bdm s THR 36 CO 0.58 0.17 -0.02 0.00 -0.69 0.00 0.00 174.62 174.66 3bdm s ALA 37 N -1.53 0.36 0.05 7.40 0.00 -0.03 -0.24 121.76 127.77 3bdm s ALA 37 Ca 0.51 0.02 0.07 0.00 0.00 0.00 0.00 51.96 52.55 3bdm s ALA 37 Cb -0.22 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 3bdm s ALA 37 CO 0.28 -0.00 -0.20 0.42 0.00 0.00 0.00 175.76 176.26 3bdm s ILE 38 N 0.58 1.58 -0.11 0.00 1.09 1.00 -0.15 121.20 125.18 3bdm s ILE 38 Ca -0.06 -1.20 0.00 0.00 -1.10 0.00 0.00 60.65 58.29 3bdm s ILE 38 Cb -0.09 -1.38 0.02 0.00 -1.06 0.00 0.00 42.46 39.95 3bdm s ILE 38 CO -0.01 0.14 -0.09 -0.83 -0.10 0.00 0.00 174.94 174.05 3bdm s GLY 39 N -1.25 0.88 -0.12 6.18 0.00 0.20 -1.50 107.32 111.72 3bdm s GLY 39 Ca 0.06 -0.60 0.02 0.00 0.00 0.00 0.00 44.72 44.20 3bdm s GLY 39 CO 0.02 0.68 -0.19 -0.42 0.00 0.00 0.00 173.10 173.18 3bdm s ILE 40 N 1.55 1.78 -0.35 0.90 1.01 -0.34 -0.59 121.20 125.16 3bdm s ILE 40 Ca 0.03 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 3bdm s ILE 40 Cb -0.13 -1.58 0.03 0.00 0.01 0.00 0.00 42.46 40.78 3bdm s ILE 40 CO -0.07 0.50 0.16 -0.32 0.00 0.00 0.00 174.94 175.20 3bdm s MET 41 N 0.79 2.83 0.56 2.79 1.75 0.96 -0.09 119.30 128.89 3bdm s MET 41 Ca -0.09 -1.06 -0.02 0.00 -1.25 0.00 0.00 55.69 53.27 3bdm s MET 41 Cb -0.16 -3.59 0.11 0.00 2.84 0.00 0.00 34.83 34.03 3bdm s MET 41 CO 0.00 -0.64 0.76 0.00 -0.65 0.00 0.00 175.02 174.50 3bdm n ALA 42 N 4.92 -0.07 0.05 4.11 0.00 -0.02 -4.86 120.51 124.65 3bdm n ALA 42 Ca -0.12 -1.39 -0.10 0.00 0.00 0.00 0.00 53.44 51.83 3bdm n ALA 42 Cb 0.46 0.18 0.03 0.00 0.00 0.00 0.00 19.45 20.12 3bdm n ALA 42 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3bdm h SER 43 N -0.57 0.47 -0.33 0.00 4.64 -1.68 -3.30 113.55 112.78 3bdm h SER 43 Ca -0.25 -0.31 -0.10 0.00 -0.47 0.00 0.00 61.79 60.66 3bdm h SER 43 Cb 0.88 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 62.77 3bdm h SER 43 CO 0.25 1.05 -0.00 -0.90 -0.87 0.00 0.00 176.83 176.35 3bdm n ASP 44 N -3.83 3.25 0.00 4.97 3.85 -1.26 -5.00 116.55 118.53 3bdm n ASP 44 Ca -0.04 -3.37 0.00 0.00 -0.71 0.00 0.00 54.79 50.67 3bdm n ASP 44 Cb 0.71 -0.59 0.00 0.00 -1.35 0.00 0.00 41.12 39.88 3bdm n ASP 44 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3bdm n GLY 45 N -0.82 -2.27 3.07 6.12 0.00 -1.24 -3.98 105.19 106.07 3bdm n GLY 45 Ca 0.28 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 3bdm n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bdm s ILE 46 N -2.28 0.62 -0.03 -0.61 1.01 -0.72 -0.84 121.20 118.36 3bdm s ILE 46 Ca 0.00 -1.07 0.05 0.00 0.00 0.00 0.00 60.65 59.64 3bdm s ILE 46 Cb 0.00 -0.66 -0.01 0.00 0.01 0.00 0.00 42.46 41.80 3bdm s ILE 46 CO 0.00 -0.33 -0.18 -0.69 0.00 0.00 0.00 174.94 173.74 3bdm s VAL 47 N -1.29 1.50 -0.06 2.92 1.01 0.87 -1.15 120.40 124.21 3bdm s VAL 47 Ca -0.08 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.15 3bdm s VAL 47 Cb -0.10 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.02 3bdm s VAL 47 CO 0.01 0.43 -0.17 -0.76 0.00 0.00 0.00 175.10 174.61 3bdm s LEU 48 N -0.20 1.87 -0.05 3.92 1.43 0.61 -1.19 118.68 125.07 3bdm s LEU 48 Ca 0.01 -0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 3bdm s LEU 48 Cb -0.10 -0.99 0.01 0.00 0.03 0.00 0.00 46.19 45.15 3bdm s LEU 48 CO 0.01 0.12 0.18 0.00 0.23 0.00 0.00 176.35 176.89 3bdm s ALA 49 N 0.24 -0.44 0.06 4.21 0.00 -0.56 -0.84 121.76 124.42 3bdm s ALA 49 Ca -0.09 0.37 -0.09 0.00 0.00 0.00 0.00 51.96 52.15 3bdm s ALA 49 Cb -0.13 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.79 3bdm s ALA 49 CO 0.03 -0.12 0.20 0.00 0.00 0.00 0.00 175.76 175.87 3bdm s ALA 50 N -0.28 -0.33 -0.23 0.00 0.00 -0.76 -0.00 121.76 120.16 3bdm s ALA 50 Ca -0.04 -0.38 -0.09 0.00 0.00 0.00 0.00 51.96 51.44 3bdm s ALA 50 Cb -0.03 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.41 3bdm s ALA 50 CO 0.01 -0.42 0.13 -2.00 0.00 0.00 0.00 175.76 173.47 3bdm s GLU 51 N -3.04 3.99 -0.23 0.00 2.12 0.66 -2.09 118.70 120.12 3bdm s GLU 51 Ca -0.01 -0.31 -0.29 0.00 0.36 0.00 0.00 54.97 54.71 3bdm s GLU 51 Cb 0.01 -3.44 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 3bdm s GLU 51 CO -0.06 0.08 1.51 1.03 -0.54 0.00 0.00 175.26 177.27 3bdm s ARG 52 N 0.97 3.87 0.04 4.30 0.52 0.11 -4.19 118.95 124.57 3bdm s ARG 52 Ca 0.06 1.56 -0.30 0.00 -0.52 0.00 0.00 55.73 56.53 3bdm s ARG 52 Cb -0.13 -3.97 -0.05 0.00 0.52 0.00 0.00 34.95 31.32 3bdm s ARG 52 CO 0.03 -1.19 1.10 0.21 0.02 0.00 0.00 175.30 175.47 3bdm s LYS 53 N 4.44 4.50 0.16 3.54 2.20 -1.26 -4.65 119.74 128.66 3bdm s LYS 53 Ca 0.66 1.61 0.00 0.00 -0.36 0.00 0.00 55.97 57.88 3bdm s LYS 53 Cb -0.23 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 3bdm s LYS 53 CO 0.27 -0.15 0.00 0.28 -0.36 0.00 0.00 175.35 175.38 3bdm n VAL 54 N 3.86-11.61 -4.15 4.02 0.31 -1.26 -5.05 118.33 104.46 3bdm n VAL 54 Ca 0.07 2.93 -0.10 0.00 -0.01 0.00 0.00 64.34 67.23 3bdm n VAL 54 Cb 0.48 -4.86 -0.10 0.00 -0.91 0.00 0.00 33.84 28.45 3bdm n VAL 54 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3bdm s THR 55 N -0.45 0.06 0.20 2.52 -4.23 -1.26 -5.15 115.64 107.33 3bdm s THR 55 Ca 0.00 -1.89 -0.07 0.00 -1.18 0.00 0.00 61.69 58.55 3bdm s THR 55 Cb 0.00 -2.20 -0.02 0.00 1.34 0.00 0.00 72.50 71.62 3bdm s THR 55 CO 0.00 -0.28 0.27 -0.55 -0.54 0.00 0.00 174.62 173.52 3bdm s SER 56 N -3.08 0.06 0.25 3.99 0.15 -1.26 -5.01 113.70 108.81 3bdm s SER 56 Ca 0.29 -1.08 0.01 0.00 0.70 0.00 0.00 55.95 55.87 3bdm s SER 56 Cb 0.07 0.45 0.31 0.00 -1.71 0.00 0.00 66.02 65.14 3bdm s SER 56 CO 0.05 -0.93 1.66 0.74 1.20 0.00 0.00 173.24 175.96 3bdm h THR 57 N 2.52 1.29 0.00 6.45 2.02 -2.03 -3.03 112.91 120.12 3bdm h THR 57 Ca -0.32 -1.43 -0.05 0.00 0.77 0.00 0.00 66.41 65.38 3bdm h THR 57 Cb 1.24 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 69.10 3bdm h THR 57 CO 0.47 0.45 -0.25 -0.07 0.37 0.00 0.00 175.52 176.50 3bdm h LEU 58 N 0.44 0.00 -9.45 2.58 4.07 -2.06 -3.46 115.31 107.43 3bdm h LEU 58 Ca 0.05 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.45 3bdm h LEU 58 Cb 0.79 0.00 0.04 0.00 1.08 0.00 0.00 40.66 42.57 3bdm h LEU 58 CO 0.06 0.25 1.04 -0.11 -1.08 0.00 0.00 178.44 178.60 3bdm n LEU 59 N -3.18 3.67 -4.59 1.67 7.94 -1.15 -4.89 117.00 116.47 3bdm n LEU 59 Ca 0.03 1.00 -0.43 0.00 -1.11 0.00 0.00 56.01 55.51 3bdm n LEU 59 Cb 0.60 -1.47 -0.02 0.00 0.53 0.00 0.00 43.42 43.06 3bdm n LEU 59 CO 0.37 0.01 1.20 -0.70 -1.11 0.00 0.00 177.39 177.15 3bdm s GLU 60 N 2.66 3.51 0.06 1.96 2.56 -1.26 -4.88 118.70 123.31 3bdm s GLU 60 Ca 0.84 0.67 0.12 0.00 0.00 0.00 0.00 54.97 56.60 3bdm s GLU 60 Cb -0.58 -4.03 -0.18 0.00 2.00 0.00 0.00 34.13 31.34 3bdm s GLU 60 CO 0.41 -1.66 0.97 0.37 -0.56 0.00 0.00 175.26 174.79 3bdm h GLN 61 N 10.49 0.00 -0.04 4.30 4.15 -1.95 -3.19 115.11 128.87 3bdm h GLN 61 Ca -0.26 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.12 3bdm h GLN 61 Cb 1.09 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 3bdm h GLN 61 CO 1.13 0.63 -0.16 -0.44 -1.93 0.00 0.00 178.83 178.06 3bdm h ASP 62 N 0.00 0.06 0.24 -0.69 5.19 -2.01 -2.48 116.42 116.73 3bdm h ASP 62 Ca -0.15 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 3bdm h ASP 62 Cb 1.80 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 41.30 3bdm h ASP 62 CO 0.09 0.23 -0.72 0.41 -3.12 0.00 0.00 179.24 176.14 3bdm n THR 63 N -4.32 0.00 -2.53 0.35 -1.04 -1.25 -4.97 114.28 100.51 3bdm n THR 63 Ca -0.02 -0.02 -0.31 0.00 -2.04 0.00 0.00 64.05 61.66 3bdm n THR 63 Cb 0.24 0.64 -0.03 0.00 -1.82 0.00 0.00 70.33 69.37 3bdm n THR 63 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3bdm s SER 63 N -2.96 6.54 -0.30 8.00 0.15 -0.93 -5.06 113.70 119.15 3bdm s SER 63 Ca 0.11 1.37 -0.06 0.00 0.70 0.00 0.00 55.95 58.07 3bdm s SER 63 Cb 0.17 -2.43 0.19 0.00 -1.71 0.00 0.00 66.02 62.24 3bdm s SER 63 CO 0.76 -0.54 0.89 -0.89 1.20 0.00 0.00 173.24 174.67 3bdm s THR 64 N -2.58 -0.52 0.00 6.45 2.01 -1.26 -5.01 115.64 114.72 3bdm s THR 64 Ca 0.55 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.55 3bdm s THR 64 Cb -0.10 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.74 3bdm s THR 64 CO 0.34 0.00 0.65 -1.84 -0.69 0.00 0.00 174.62 173.07 3bdm n GLU 65 N 5.30 0.55 0.00 4.92 0.28 -1.26 -4.87 120.64 125.56 3bdm n GLU 65 Ca 0.04 -0.82 0.00 0.00 -0.16 0.00 0.00 57.16 56.21 3bdm n GLU 65 Cb 0.55 -0.94 0.00 0.00 1.43 0.00 0.00 31.44 32.48 3bdm n GLU 65 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3bdm n LYS 66 N -0.18 0.32 -3.74 3.44 5.02 -1.26 -4.83 118.16 116.93 3bdm n LYS 66 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 3bdm n LYS 66 Cb 0.13 -0.37 -0.12 0.00 -0.02 0.00 0.00 35.03 34.64 3bdm n LYS 66 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3bdm s LEU 67 N -0.93 4.14 -0.04 -0.35 1.02 -1.26 0.48 118.68 121.74 3bdm s LEU 67 Ca 0.00 -0.91 0.07 0.00 0.02 0.00 0.00 54.13 53.30 3bdm s LEU 67 Cb 0.00 -1.89 -0.01 0.00 0.02 0.00 0.00 46.19 44.30 3bdm s LEU 67 CO 0.00 -0.27 -0.24 -0.31 0.02 0.00 0.00 176.35 175.55 3bdm s TYR 68 N 1.47 2.30 -0.20 0.29 2.02 -0.34 -4.99 117.35 117.90 3bdm s TYR 68 Ca 0.01 -0.58 -0.22 0.00 -0.37 0.00 0.00 57.07 55.92 3bdm s TYR 68 Cb -0.18 -1.50 -0.02 0.00 -0.40 0.00 0.00 41.96 39.86 3bdm s TYR 68 CO 0.03 -0.14 0.67 0.21 -1.57 0.00 0.00 175.55 174.75 3bdm s LYS 69 N -0.33 4.22 -0.22 -0.62 2.20 -1.26 -1.14 119.74 122.59 3bdm s LYS 69 Ca 0.02 0.68 -0.05 0.00 -0.36 0.00 0.00 55.97 56.26 3bdm s LYS 69 Cb -0.12 -3.59 -0.19 0.00 -1.51 0.00 0.00 37.83 32.42 3bdm s LYS 69 CO 0.02 -0.28 -0.03 1.28 -0.36 0.00 0.00 175.35 175.98 3bdm n LEU 70 N 5.16 2.65 0.00 5.43 4.77 -0.90 -4.99 117.00 129.11 3bdm n LEU 70 Ca -0.00 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3bdm n LEU 70 Cb 0.49 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 3bdm n LEU 70 CO 0.45 0.81 0.00 -3.20 -1.33 0.00 0.00 177.39 174.12 3bdm n ASN 71 N -3.56 0.38 0.07 -1.43 4.05 -0.92 -4.58 115.26 109.27 3bdm n ASN 71 Ca -0.42 -0.26 0.11 0.00 0.45 0.00 0.00 54.58 54.46 3bdm n ASN 71 Cb 0.97 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 41.93 3bdm n ASN 71 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3bdm n ASP 72 N -0.69 0.57 -0.03 1.20 8.00 -1.26 -4.19 116.55 120.16 3bdm n ASP 72 Ca 0.00 0.21 0.02 0.00 0.71 0.00 0.00 54.79 55.73 3bdm n ASP 72 Cb 0.00 0.96 0.03 0.00 -0.02 0.00 0.00 41.12 42.09 3bdm n ASP 72 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3bdm n LYS 73 N -2.52 2.28 -3.85 -1.24 5.02 -1.26 -4.39 118.16 112.20 3bdm n LYS 73 Ca -0.01 -1.67 -0.12 0.00 -2.02 0.00 0.00 58.31 54.49 3bdm n LYS 73 Cb 0.55 -1.07 -0.14 0.00 -0.02 0.00 0.00 35.03 34.35 3bdm n LYS 73 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3bdm s ILE 74 N -1.34 -0.01 0.12 -0.18 1.01 -1.26 -0.48 121.20 119.06 3bdm s ILE 74 Ca 0.08 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.71 3bdm s ILE 74 Cb 0.07 -0.03 -0.02 0.00 0.01 0.00 0.00 42.46 42.49 3bdm s ILE 74 CO 0.01 0.01 0.13 0.00 0.00 0.00 0.00 174.94 175.09 3bdm s ALA 75 N 0.16 0.37 0.02 9.38 0.00 -0.83 -2.13 121.76 128.74 3bdm s ALA 75 Ca -0.01 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.84 3bdm s ALA 75 Cb -0.02 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 3bdm s ALA 75 CO -0.00 -0.52 -0.05 0.14 0.00 0.00 0.00 175.76 175.33 3bdm s VAL 76 N -3.97 0.28 -0.10 0.00 -7.23 -0.29 -0.49 120.40 108.59 3bdm s VAL 76 Ca 0.16 -0.78 -0.01 0.00 -1.81 0.00 0.00 61.98 59.54 3bdm s VAL 76 Cb 0.06 -0.36 -0.03 0.00 0.56 0.00 0.00 36.38 36.61 3bdm s VAL 76 CO -0.03 -0.33 -0.05 0.00 -0.31 0.00 0.00 175.10 174.38 3bdm s ALA 77 N -1.10 3.01 0.09 1.32 0.00 -0.58 -1.20 121.76 123.30 3bdm s ALA 77 Ca -0.10 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.06 3bdm s ALA 77 Cb -0.08 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 3bdm s ALA 77 CO -0.00 0.43 -0.04 0.08 0.00 0.00 0.00 175.76 176.23 3bdm s VAL 78 N -0.35 3.76 -0.20 0.00 1.01 0.18 -2.01 120.40 122.80 3bdm s VAL 78 Ca 0.05 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 3bdm s VAL 78 Cb -0.12 -2.77 0.10 0.00 0.00 0.00 0.00 36.38 33.58 3bdm s VAL 78 CO 0.02 0.14 0.25 0.00 0.00 0.00 0.00 175.10 175.52 3bdm s ALA 79 N -1.25 -0.44 0.00 5.51 0.00 -0.95 -4.80 121.76 119.83 3bdm s ALA 79 Ca 0.23 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.65 3bdm s ALA 79 Cb -0.11 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.67 3bdm s ALA 79 CO 0.16 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 175.19 3bdm n GLY 80 N 5.33 0.61 3.60 0.00 0.00 -1.26 -1.47 105.19 112.00 3bdm n GLY 80 Ca -0.05 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 3bdm n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bdm s LEU 81 N 0.00 3.58 0.24 0.99 2.01 0.48 -4.91 118.68 121.07 3bdm s LEU 81 Ca 0.00 0.76 -0.05 0.00 0.01 0.00 0.00 54.13 54.85 3bdm s LEU 81 Cb 0.00 -3.52 0.44 0.00 0.01 0.00 0.00 46.19 43.11 3bdm s LEU 81 CO 0.00 -1.43 1.71 0.74 1.01 0.00 0.00 176.35 178.38 3bdm h THR 82 N 6.45 0.60 -0.19 5.49 2.02 -1.91 0.42 112.91 125.80 3bdm h THR 82 Ca -0.27 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 66.82 3bdm h THR 82 Cb 1.10 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 3bdm h THR 82 CO 1.09 0.06 -0.01 0.00 0.37 0.00 0.00 175.52 177.04 3bdm h ALA 83 N 1.56 0.15 -0.55 6.16 0.00 -1.99 -1.17 119.26 123.43 3bdm h ALA 83 Ca 0.40 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3bdm h ALA 83 Cb 0.64 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3bdm h ALA 83 CO -0.44 -0.45 0.35 -0.44 0.00 0.00 0.00 179.25 178.27 3bdm h ASP 84 N 0.05 0.64 -0.56 0.00 3.45 -1.61 -2.76 116.42 115.62 3bdm h ASP 84 Ca 0.09 -0.03 0.10 0.00 0.43 0.00 0.00 57.03 57.62 3bdm h ASP 84 Cb 0.12 -0.16 -0.08 0.00 -0.56 0.00 0.00 39.33 38.65 3bdm h ASP 84 CO -0.16 0.48 0.10 0.00 -1.57 0.00 0.00 179.24 178.09 3bdm h ALA 85 N 1.18 0.63 -0.42 3.45 0.00 -0.35 -2.48 119.26 121.27 3bdm h ALA 85 Ca 0.20 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3bdm h ALA 85 Cb -0.06 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3bdm h ALA 85 CO -0.04 -0.32 0.27 0.93 0.00 0.00 0.00 179.25 180.09 3bdm h GLU 86 N 0.22 0.56 -0.71 0.00 5.08 -0.95 0.62 114.58 119.41 3bdm h GLU 86 Ca 0.29 -0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.74 3bdm h GLU 86 Cb 0.42 -0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.45 3bdm h GLU 86 CO -0.39 0.38 0.24 0.82 -1.00 0.00 0.00 179.01 179.06 3bdm h ILE 87 N 0.57 0.64 -0.20 3.13 5.03 -1.32 0.14 117.51 125.50 3bdm h ILE 87 Ca 0.15 -0.13 -0.18 0.00 -0.12 0.00 0.00 64.86 64.58 3bdm h ILE 87 Cb -0.05 0.23 0.01 0.00 -3.03 0.00 0.00 36.82 33.98 3bdm h ILE 87 CO -0.03 0.07 -0.59 -0.07 -0.68 0.00 0.00 178.15 176.85 3bdm h LEU 88 N 0.38 0.86 -0.81 1.44 3.38 -1.18 -2.94 115.31 116.43 3bdm h LEU 88 Ca 0.38 -0.59 0.04 0.00 0.09 0.00 0.00 57.88 57.81 3bdm h LEU 88 Cb 0.58 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 3bdm h LEU 88 CO -0.41 1.29 0.51 0.40 0.09 0.00 0.00 178.44 180.32 3bdm h ILE 89 N 0.47 1.09 -0.42 1.22 2.04 0.12 -1.75 117.51 120.28 3bdm h ILE 89 Ca -0.02 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 3bdm h ILE 89 Cb 1.21 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3bdm h ILE 89 CO 0.13 0.18 -0.02 -1.13 0.00 0.00 0.00 178.15 177.30 3bdm h ASN 90 N 0.97 0.74 0.33 1.72 -1.24 -0.77 -1.68 115.58 115.65 3bdm h ASN 90 Ca 0.34 -0.32 -0.03 0.00 0.71 0.00 0.00 56.30 57.00 3bdm h ASN 90 Cb 0.07 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 38.92 3bdm h ASN 90 CO -0.14 0.88 -0.14 0.71 -1.29 0.00 0.00 177.43 177.46 3bdm h THR 91 N 0.58 0.69 -0.04 -3.57 1.35 -1.29 -1.91 112.91 108.73 3bdm h THR 91 Ca 0.12 -0.57 -0.03 0.00 -0.55 0.00 0.00 66.41 65.38 3bdm h THR 91 Cb 0.51 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 3bdm h THR 91 CO 0.03 0.14 -0.09 0.00 -0.25 0.00 0.00 175.52 175.34 3bdm h ALA 92 N 1.86 0.06 -0.77 6.62 0.00 -0.91 -1.00 119.26 125.11 3bdm h ALA 92 Ca -0.00 -0.33 0.13 0.00 0.00 0.00 0.00 54.91 54.71 3bdm h ALA 92 Cb 0.34 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3bdm h ALA 92 CO 0.02 -0.08 0.51 0.00 0.00 0.00 0.00 179.25 179.70 3bdm h ARG 93 N -0.41 0.53 0.18 0.00 3.08 -0.78 0.33 114.38 117.30 3bdm h ARG 93 Ca -0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3bdm h ARG 93 Cb 0.68 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3bdm h ARG 93 CO 0.02 0.35 -0.09 0.82 -1.07 0.00 0.00 179.97 180.00 3bdm h ILE 94 N 0.55 0.88 -1.01 2.04 2.04 -1.28 -2.80 117.51 117.92 3bdm h ILE 94 Ca 0.37 -0.99 0.24 0.00 1.00 0.00 0.00 64.86 65.49 3bdm h ILE 94 Cb 0.69 1.41 -0.11 0.00 -0.74 0.00 0.00 36.82 38.07 3bdm h ILE 94 CO -0.14 0.20 0.62 -0.74 0.00 0.00 0.00 178.15 178.09 3bdm h HIS 95 N -0.78 0.92 -0.23 1.37 2.76 -0.26 0.15 115.15 119.09 3bdm h HIS 95 Ca -0.02 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.19 3bdm h HIS 95 Cb 0.52 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 3bdm h HIS 95 CO 0.07 0.09 0.11 0.00 -1.30 0.00 0.00 177.93 176.89 3bdm h ALA 96 N 1.69 0.27 -0.45 5.26 0.00 -0.94 -1.89 119.26 123.21 3bdm h ALA 96 Ca 0.62 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.45 3bdm h ALA 96 Cb 1.26 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3bdm h ALA 96 CO -0.41 -0.30 -0.07 1.96 0.00 0.00 0.00 179.25 180.42 3bdm h GLN 97 N 0.23 0.84 -0.38 0.00 1.08 -0.53 -2.78 115.11 113.57 3bdm h GLN 97 Ca 0.09 -0.30 0.03 0.00 -1.45 0.00 0.00 58.65 57.02 3bdm h GLN 97 Cb 0.03 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 3bdm h GLN 97 CO -0.07 0.93 0.19 -0.91 -0.95 0.00 0.00 178.83 178.02 3bdm h ASN 98 N 0.67 0.29 -0.68 1.46 2.35 -0.76 0.11 115.58 119.03 3bdm h ASN 98 Ca 0.12 0.02 0.10 0.00 -0.55 0.00 0.00 56.30 55.99 3bdm h ASN 98 Cb 0.60 -0.04 -0.08 0.00 0.05 0.00 0.00 38.32 38.85 3bdm h ASN 98 CO 0.04 0.21 0.29 0.22 -1.65 0.00 0.00 177.43 176.54 3bdm h TYR 99 N 0.40 0.51 0.39 1.19 3.20 -1.28 0.48 116.97 121.86 3bdm h TYR 99 Ca 0.16 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 3bdm h TYR 99 Cb 0.06 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.21 3bdm h TYR 99 CO -0.10 0.14 -0.19 1.25 -1.64 0.00 0.00 178.16 177.62 3bdm h LEU 100 N 0.49 -0.44 -0.84 2.82 5.85 -1.04 -0.47 115.31 121.68 3bdm h LEU 100 Ca 0.35 -0.05 0.15 0.00 0.84 0.00 0.00 57.88 59.17 3bdm h LEU 100 Cb 0.43 0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.48 3bdm h LEU 100 CO -0.32 -0.23 0.42 0.50 -0.34 0.00 0.00 178.44 178.48 3bdm h LYS 101 N -0.64 0.58 0.01 1.25 3.64 -0.08 0.93 116.57 122.26 3bdm h LYS 101 Ca -0.05 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3bdm h LYS 101 Cb 0.47 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3bdm h LYS 101 CO 0.09 0.38 -0.00 1.15 -2.27 0.00 0.00 179.45 178.80 3bdm h THR 102 N 0.60 1.54 0.00 1.00 2.02 -0.77 -3.38 112.91 113.91 3bdm h THR 102 Ca 0.46 -1.64 0.00 0.00 0.77 0.00 0.00 66.41 66.01 3bdm h THR 102 Cb 0.67 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.72 3bdm h THR 102 CO -0.37 0.42 -1.17 -1.22 0.37 0.00 0.00 175.52 173.55 3bdm n TYR 103 N -4.76 0.12 -2.84 3.16 4.01 -0.20 -4.99 117.16 111.67 3bdm n TYR 103 Ca -0.09 0.04 -0.18 0.00 -0.16 0.00 0.00 57.90 57.50 3bdm n TYR 103 Cb 0.34 -0.30 0.03 0.00 -0.31 0.00 0.00 39.34 39.10 3bdm n TYR 103 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3bdm n ASN 104 N -1.85 -5.30 -3.81 7.72 2.85 0.32 -5.00 115.26 110.19 3bdm n ASN 104 Ca 0.02 -0.22 -0.12 0.00 -0.11 0.00 0.00 54.58 54.14 3bdm n ASN 104 Cb 0.42 -4.16 -0.09 0.00 1.24 0.00 0.00 39.78 37.19 3bdm n ASN 104 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3bdm s GLU 105 N -5.44 0.59 0.31 1.20 2.02 -1.25 -5.07 118.70 111.04 3bdm s GLU 105 Ca 0.23 -0.29 -0.29 0.00 0.02 0.00 0.00 54.97 54.65 3bdm s GLU 105 Cb -0.10 0.25 -0.10 0.00 0.10 0.00 0.00 34.13 34.28 3bdm s GLU 105 CO 0.29 -0.15 1.28 -0.51 0.02 0.00 0.00 175.26 176.18 3bdm s ASP 106 N -1.35 6.87 0.05 -0.19 1.01 -1.26 -3.88 116.67 117.92 3bdm s ASP 106 Ca -0.14 2.59 -0.30 0.00 0.71 0.00 0.00 52.55 55.40 3bdm s ASP 106 Cb -0.06 -2.64 -0.08 0.00 1.01 0.00 0.00 42.92 41.14 3bdm s ASP 106 CO 0.03 -0.47 1.72 -0.51 0.21 0.00 0.00 175.17 176.15 3bdm s ILE 107 N -0.98 3.06 0.22 0.77 2.07 -1.26 -4.93 121.20 120.15 3bdm s ILE 107 Ca 0.49 0.40 -0.32 0.00 -1.41 0.00 0.00 60.65 59.82 3bdm s ILE 107 Cb -0.38 -3.26 -0.13 0.00 0.13 0.00 0.00 42.46 38.82 3bdm s ILE 107 CO 0.49 -0.01 1.53 -2.65 -1.91 0.00 0.00 174.94 172.39 3bdm n PRO 108 N 6.11 2.29 -0.31 3.50 -0.02 -1.26 -4.84 135.00 140.47 3bdm n PRO 108 Ca 0.17 0.82 0.04 0.00 -2.02 0.00 0.00 63.50 62.51 3bdm n PRO 108 Cb 0.41 -2.56 0.12 0.00 -0.02 0.00 0.00 33.50 31.45 3bdm n PRO 108 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3bdm h VAL 109 N 3.36 0.13 -0.49 -1.45 2.07 -1.91 -0.10 116.25 117.86 3bdm h VAL 109 Ca -0.45 -0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 3bdm h VAL 109 Cb 1.25 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3bdm h VAL 109 CO 0.83 0.00 0.10 -0.08 0.02 0.00 0.00 177.57 178.44 3bdm h GLU 110 N 0.00 0.75 -0.89 1.57 4.81 -1.99 -2.07 114.58 116.77 3bdm h GLU 110 Ca 0.42 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3bdm h GLU 110 Cb 0.66 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 3bdm h GLU 110 CO -0.89 0.70 0.57 0.82 -0.73 0.00 0.00 179.01 179.47 3bdm h ILE 111 N 0.73 1.24 -0.33 2.32 2.04 -1.38 0.10 117.51 122.23 3bdm h ILE 111 Ca 0.16 -0.48 -0.10 0.00 1.00 0.00 0.00 64.86 65.44 3bdm h ILE 111 Cb 0.30 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 3bdm h ILE 111 CO 0.00 0.24 -0.20 0.25 0.00 0.00 0.00 178.15 178.44 3bdm h LEU 112 N 1.22 0.75 -0.50 1.44 6.46 -1.24 -2.81 115.31 120.62 3bdm h LEU 112 Ca 0.32 -0.43 -0.00 0.00 -0.12 0.00 0.00 57.88 57.65 3bdm h LEU 112 Cb -0.10 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.60 3bdm h LEU 112 CO -0.07 1.01 0.30 0.58 -0.62 0.00 0.00 178.44 179.64 3bdm h VAL 113 N 0.49 1.16 -0.62 1.05 2.07 -0.85 -2.60 116.25 116.94 3bdm h VAL 113 Ca 0.07 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 3bdm h VAL 113 Cb 0.75 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3bdm h VAL 113 CO 0.06 0.16 0.32 -0.09 0.02 0.00 0.00 177.57 178.04 3bdm h ARG 114 N 0.67 0.87 -0.31 1.57 2.43 -0.75 -1.25 114.38 117.61 3bdm h ARG 114 Ca 0.18 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3bdm h ARG 114 Cb 0.01 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 3bdm h ARG 114 CO -0.03 0.68 0.15 -0.09 -1.51 0.00 0.00 179.97 179.18 3bdm h ARG 115 N 0.84 0.44 -0.86 0.20 9.65 -1.43 0.43 114.38 123.65 3bdm h ARG 115 Ca 0.22 -0.06 0.01 0.00 -1.10 0.00 0.00 59.98 59.04 3bdm h ARG 115 Cb 0.08 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.53 3bdm h ARG 115 CO -0.03 0.41 0.57 1.25 2.80 0.00 0.00 179.97 184.96 3bdm h LEU 116 N 0.37 0.99 -1.08 3.80 6.46 -1.27 -1.91 115.31 122.68 3bdm h LEU 116 Ca 0.11 -0.03 -0.08 0.00 -0.12 0.00 0.00 57.88 57.76 3bdm h LEU 116 Cb 0.10 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 3bdm h LEU 116 CO -0.01 0.73 -0.37 0.28 -0.62 0.00 0.00 178.44 178.44 3bdm h SER 117 N 1.17 0.00 -0.01 1.25 0.02 -0.80 -2.87 113.55 112.31 3bdm h SER 117 Ca 0.31 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.11 3bdm h SER 117 Cb -0.13 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3bdm h SER 117 CO -0.07 0.37 -0.50 0.44 -1.14 0.00 0.00 176.83 175.94 3bdm h ASP 118 N 0.00 0.62 -0.43 3.07 3.45 -0.17 -1.67 116.42 121.29 3bdm h ASP 118 Ca -0.00 -0.31 -0.01 0.00 0.43 0.00 0.00 57.03 57.14 3bdm h ASP 118 Cb 0.82 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 39.39 3bdm h ASP 118 CO 0.05 1.01 0.24 0.40 -1.57 0.00 0.00 179.24 179.37 3bdm h ILE 119 N 0.45 1.16 0.02 0.35 2.04 -1.18 -1.50 117.51 118.85 3bdm h ILE 119 Ca 0.02 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 3bdm h ILE 119 Cb 1.03 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3bdm h ILE 119 CO 0.09 0.17 -0.01 0.11 0.00 0.00 0.00 178.15 178.51 3bdm h LYS 120 N 0.56 -0.03 -1.01 2.37 1.57 -1.40 -2.51 116.57 116.13 3bdm h LYS 120 Ca 0.15 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 59.19 3bdm h LYS 120 Cb 0.05 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.29 3bdm h LYS 120 CO -0.02 0.15 0.67 0.37 -0.57 0.00 0.00 179.45 180.04 3bdm h GLN 121 N -0.20 0.34 0.06 3.15 -0.00 -1.03 -1.76 115.11 115.66 3bdm h GLN 121 Ca -0.00 -0.02 0.02 0.00 -0.00 0.00 0.00 58.65 58.65 3bdm h GLN 121 Cb 0.19 -0.08 -0.03 0.00 0.00 0.00 0.00 27.48 27.57 3bdm h GLN 121 CO 0.00 0.22 -0.18 0.78 0.00 0.00 0.00 178.83 179.66 3bdm h GLY 122 N 0.35 -0.29 2.00 2.39 0.00 -0.81 -1.01 103.07 105.70 3bdm h GLY 122 Ca 0.55 0.21 0.00 0.00 0.00 0.00 0.00 47.33 48.09 3bdm h GLY 122 CO -0.22 -0.17 0.00 -1.72 0.00 0.00 0.00 176.54 174.43 3bdm n TYR 123 N -5.31 0.43 0.12 5.60 4.02 -0.67 -0.73 117.16 120.62 3bdm n TYR 123 Ca -0.06 0.22 0.08 0.00 -0.01 0.00 0.00 57.90 58.13 3bdm n TYR 123 Cb 0.22 -0.85 0.02 0.00 -0.02 0.00 0.00 39.34 38.71 3bdm n TYR 123 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 3bdm h THR 124 N 0.00 0.23 0.00 -0.72 2.02 -1.13 -3.40 112.91 109.90 3bdm h THR 124 Ca 0.00 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.80 3bdm h THR 124 Cb 0.02 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 3bdm h THR 124 CO 0.00 0.13 -0.65 1.67 0.37 0.00 0.00 175.52 177.03 3bdm n GLN 125 N -2.89 3.06 -3.53 6.66 7.27 0.09 -4.76 117.38 123.28 3bdm n GLN 125 Ca -0.01 -0.02 -0.14 0.00 0.07 0.00 0.00 57.00 56.90 3bdm n GLN 125 Cb 0.63 -0.87 -0.05 0.00 2.41 0.00 0.00 30.24 32.36 3bdm n GLN 125 CO 0.00 0.00 0.00 -3.38 0.07 0.00 0.00 177.06 173.75 3bdm s HIS 126 N -1.79 -0.52 0.00 3.69 -3.43 -0.91 -5.00 115.29 107.33 3bdm s HIS 126 Ca 0.00 0.80 0.00 0.00 -0.80 0.00 0.00 55.06 55.06 3bdm s HIS 126 Cb 0.03 0.45 0.00 0.00 -1.43 0.00 0.00 32.58 31.63 3bdm s HIS 126 CO 0.15 -0.54 0.00 0.41 -2.00 0.00 0.00 174.74 172.76 3bdm n GLY 127 N 0.61 1.30 2.44 -1.38 0.00 -1.26 -4.45 105.19 102.44 3bdm n GLY 127 Ca -0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 3bdm n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bdm n GLY 128 N -0.74 1.25 3.82 -0.02 0.00 -1.26 -4.96 105.19 103.27 3bdm n GLY 128 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3bdm n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bdm s LEU 129 N -4.85 3.79 0.51 0.99 1.43 -1.26 -4.71 118.68 114.58 3bdm s LEU 129 Ca 0.00 -0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 52.66 3bdm s LEU 129 Cb 0.00 -2.32 -0.08 0.00 0.03 0.00 0.00 46.19 43.83 3bdm s LEU 129 CO 0.00 -0.03 1.00 0.00 0.23 0.00 0.00 176.35 177.55 3bdm s ARG 130 N -3.82 3.83 0.94 1.70 1.70 -1.26 -4.78 118.95 117.25 3bdm s ARG 130 Ca 0.33 1.11 -0.12 0.00 -0.47 0.00 0.00 55.73 56.57 3bdm s ARG 130 Cb -0.08 -2.11 0.15 0.00 -0.57 0.00 0.00 34.95 32.34 3bdm s ARG 130 CO 0.25 -0.38 1.11 -2.14 -1.08 0.00 0.00 175.30 173.06 3bdm s PRO 131 N -3.78 0.92 -0.09 3.89 0.02 -1.26 -4.99 135.00 129.70 3bdm s PRO 131 Ca 0.62 0.43 -0.27 0.00 0.02 0.00 0.00 61.00 61.80 3bdm s PRO 131 Cb -0.12 -1.80 -0.02 0.00 0.02 0.00 0.00 34.50 32.57 3bdm s PRO 131 CO 0.28 -2.38 0.88 -0.06 -0.33 0.00 0.00 177.00 175.38 3bdm s PHE 132 N -3.13 3.53 -1.48 6.54 0.40 -1.26 -4.93 117.98 117.65 3bdm s PHE 132 Ca 0.64 1.44 -0.13 0.00 -0.60 0.00 0.00 56.93 58.28 3bdm s PHE 132 Cb -0.16 -3.03 -0.02 0.00 0.51 0.00 0.00 43.02 40.32 3bdm s PHE 132 CO 0.55 -0.11 2.48 0.41 0.70 0.00 0.00 175.22 179.25 3bdm n GLY 133 N 3.16 4.25 3.18 4.36 0.00 -1.26 -4.49 105.19 114.40 3bdm n GLY 133 Ca 0.05 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 3bdm n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdm s VAL 134 N 2.91 0.04 -0.02 1.61 1.01 -1.26 -0.39 120.40 124.30 3bdm s VAL 134 Ca 0.55 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.20 3bdm s VAL 134 Cb 0.15 -0.49 -0.00 0.00 0.00 0.00 0.00 36.38 36.04 3bdm s VAL 134 CO -0.07 -0.20 -0.10 -0.44 0.00 0.00 0.00 175.10 174.29 3bdm s SER 135 N -0.83 1.32 0.10 3.32 0.01 -0.54 -2.73 113.70 114.35 3bdm s SER 135 Ca -0.09 -0.21 0.10 0.00 1.31 0.00 0.00 55.95 57.06 3bdm s SER 135 Cb -0.05 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 3bdm s SER 135 CO 0.02 0.10 -0.23 -0.36 0.41 0.00 0.00 173.24 173.19 3bdm s PHE 136 N 0.00 2.42 -0.26 2.43 0.40 0.17 -2.24 117.98 120.91 3bdm s PHE 136 Ca -0.00 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 56.03 3bdm s PHE 136 Cb -0.07 -1.33 0.06 0.00 0.51 0.00 0.00 43.02 42.20 3bdm s PHE 136 CO 0.00 0.32 -0.09 0.42 0.70 0.00 0.00 175.22 176.58 3bdm s ILE 137 N -1.04 2.06 -0.16 0.64 1.01 -0.85 -0.87 121.20 121.99 3bdm s ILE 137 Ca 0.15 -1.61 -0.16 0.00 0.00 0.00 0.00 60.65 59.03 3bdm s ILE 137 Cb -0.10 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 3bdm s ILE 137 CO 0.07 -0.09 0.39 -0.31 0.00 0.00 0.00 174.94 175.00 3bdm s TYR 138 N 1.14 3.45 -0.36 3.97 1.51 0.20 -1.53 117.35 125.72 3bdm s TYR 138 Ca -0.07 0.70 0.03 0.00 -1.01 0.00 0.00 57.07 56.72 3bdm s TYR 138 Cb -0.20 -2.47 0.11 0.00 -0.11 0.00 0.00 41.96 39.29 3bdm s TYR 138 CO -0.06 0.14 0.10 0.00 -1.11 0.00 0.00 175.55 174.62 3bdm s ALA 139 N 0.76 2.71 0.34 3.71 0.00 0.35 -0.84 121.76 128.79 3bdm s ALA 139 Ca 0.20 -2.51 0.05 0.00 0.00 0.00 0.00 51.96 49.71 3bdm s ALA 139 Cb -0.14 -1.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.01 3bdm s ALA 139 CO 0.07 -1.75 0.22 0.20 0.00 0.00 0.00 175.76 174.50 3bdm s GLY 140 N 0.82 2.31 -0.02 0.00 0.00 -1.05 -1.96 107.32 107.43 3bdm s GLY 140 Ca 0.12 -1.82 -0.01 0.00 0.00 0.00 0.00 44.72 43.01 3bdm s GLY 140 CO -0.09 -1.56 0.04 -0.47 0.00 0.00 0.00 173.10 171.02 3bdm s TYR 141 N -3.46 -0.04 0.21 1.90 6.14 0.37 -1.53 117.35 120.94 3bdm s TYR 141 Ca 0.36 0.12 -0.04 0.00 0.64 0.00 0.00 57.07 58.16 3bdm s TYR 141 Cb 0.03 -0.02 -0.03 0.00 0.42 0.00 0.00 41.96 42.36 3bdm s TYR 141 CO 0.23 -0.03 0.21 0.16 0.64 0.00 0.00 175.55 176.75 3bdm s ASP 142 N 0.19 0.10 -0.06 4.32 1.47 -1.10 -4.81 116.67 116.78 3bdm s ASP 142 Ca -0.01 -1.27 0.08 0.00 1.18 0.00 0.00 52.55 52.53 3bdm s ASP 142 Cb -0.02 0.43 0.35 0.00 -0.34 0.00 0.00 42.92 43.33 3bdm s ASP 142 CO -0.01 -0.91 1.16 -0.90 0.68 0.00 0.00 175.17 175.20 3bdm n ASP 143 N -0.29 2.56 -0.00 2.11 5.75 -1.26 -0.60 116.55 124.81 3bdm n ASP 143 Ca 0.01 -2.23 0.03 0.00 -0.01 0.00 0.00 54.79 52.59 3bdm n ASP 143 Cb 0.65 -0.42 -0.04 0.00 -1.03 0.00 0.00 41.12 40.29 3bdm n ASP 143 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3bdm n ARG 144 N 0.40 4.62 0.00 0.11 0.63 -1.26 -4.74 116.66 116.42 3bdm n ARG 144 Ca 0.12 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 3bdm n ARG 144 Cb 0.50 -0.82 0.00 0.00 0.45 0.00 0.00 32.46 32.59 3bdm n ARG 144 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3bdm n TYR 14 N -1.19 0.00 -4.84 -0.14 4.01 -1.24 -5.14 117.16 108.62 3bdm n TYR 14 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3bdm n TYR 14 Cb 0.10 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 3bdm n TYR 14 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bdm n GLY 145 N 0.00 2.51 3.73 2.72 0.00 0.23 -4.66 105.19 109.71 3bdm n GLY 145 Ca 0.00 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 3bdm n GLY 145 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bdm s TYR 146 N 0.00 3.13 0.02 1.61 2.02 -1.26 -2.70 117.35 120.18 3bdm s TYR 146 Ca 0.00 0.90 0.01 0.00 -0.37 0.00 0.00 57.07 57.61 3bdm s TYR 146 Cb 0.00 -3.78 -0.02 0.00 -0.40 0.00 0.00 41.96 37.76 3bdm s TYR 146 CO 0.00 -2.72 -0.04 -0.65 -1.57 0.00 0.00 175.55 170.57 3bdm s GLN 147 N 0.57 0.35 -0.07 -0.62 -0.21 -0.58 -5.02 119.66 114.08 3bdm s GLN 147 Ca 0.64 -0.62 -0.00 0.00 0.02 0.00 0.00 55.36 55.39 3bdm s GLN 147 Cb -0.40 0.01 0.03 0.00 1.00 0.00 0.00 33.01 33.64 3bdm s GLN 147 CO 0.35 -0.02 -0.03 -1.17 -2.12 0.00 0.00 175.29 172.29 3bdm s LEU 148 N -1.43 0.94 0.24 2.90 2.96 -1.26 -2.52 118.68 120.50 3bdm s LEU 148 Ca -0.14 -0.15 0.05 0.00 -0.22 0.00 0.00 54.13 53.67 3bdm s LEU 148 Cb -0.10 -0.55 -0.05 0.00 0.50 0.00 0.00 46.19 46.00 3bdm s LEU 148 CO -0.01 -0.14 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.54 3bdm s TYR 149 N 1.61 1.67 -0.06 5.38 2.02 -0.02 -1.33 117.35 126.62 3bdm s TYR 149 Ca 0.00 -0.81 -0.05 0.00 -0.37 0.00 0.00 57.07 55.85 3bdm s TYR 149 Cb -0.13 -0.94 0.02 0.00 -0.40 0.00 0.00 41.96 40.51 3bdm s TYR 149 CO -0.04 0.11 0.16 -0.08 -1.57 0.00 0.00 175.55 174.13 3bdm s THR 150 N -3.24 -0.02 0.03 -0.71 -1.32 -0.59 0.59 115.64 110.38 3bdm s THR 150 Ca 0.27 0.06 0.02 0.00 -1.21 0.00 0.00 61.69 60.83 3bdm s THR 150 Cb 0.04 -0.24 -0.02 0.00 -1.51 0.00 0.00 72.50 70.77 3bdm s THR 150 CO 0.09 0.03 -0.07 -0.94 -2.21 0.00 0.00 174.62 171.52 3bdm s SER 151 N 0.50 0.75 0.42 8.08 1.04 -0.05 -1.67 113.70 122.77 3bdm s SER 151 Ca -0.03 -0.45 0.04 0.00 0.48 0.00 0.00 55.95 55.99 3bdm s SER 151 Cb -0.05 0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.07 3bdm s SER 151 CO -0.02 -0.16 0.16 0.54 0.98 0.00 0.00 173.24 174.74 3bdm s ASN 152 N -1.26 2.87 0.56 7.02 2.20 -1.11 0.42 114.94 125.64 3bdm s ASN 152 Ca -0.08 -1.75 0.37 0.00 -0.94 0.00 0.00 52.86 50.45 3bdm s ASN 152 Cb -0.08 0.63 1.52 0.00 -2.00 0.00 0.00 41.25 41.31 3bdm s ASN 152 CO 0.00 -1.01 1.75 -0.65 -2.94 0.00 0.00 177.10 174.25 3bdm h PRO 153 N 1.73 0.00 0.00 3.55 0.11 -1.74 -0.45 132.00 135.20 3bdm h PRO 153 Ca -0.33 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.73 3bdm h PRO 153 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3bdm h PRO 153 CO 0.52 0.00 -0.23 0.66 -0.21 0.00 0.00 178.00 178.74 3bdm h SER 154 N 0.00 0.00 0.00 -2.05 4.64 -1.91 -3.42 113.55 110.81 3bdm h SER 154 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 3bdm h SER 154 Cb 2.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.48 3bdm h SER 154 CO -0.01 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 176.79 3bdm n GLY 155 N 0.02 0.97 3.92 -0.77 0.00 -0.18 -4.18 105.19 104.98 3bdm n GLY 155 Ca -0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 3bdm n GLY 155 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bdm s ASN 156 N -2.01 6.40 0.02 1.61 3.04 -1.26 -4.59 114.94 118.16 3bdm s ASN 156 Ca 0.00 0.42 -0.08 0.00 0.04 0.00 0.00 52.86 53.24 3bdm s ASN 156 Cb 0.00 -2.02 0.00 0.00 -1.54 0.00 0.00 41.25 37.69 3bdm s ASN 156 CO 0.00 -0.00 0.16 -0.72 -3.04 0.00 0.00 177.10 173.50 3bdm s TYR 157 N -1.79 0.06 0.18 0.43 -0.85 -1.26 -2.73 117.35 111.39 3bdm s TYR 157 Ca 0.39 -0.24 -0.10 0.00 -0.52 0.00 0.00 57.07 56.59 3bdm s TYR 157 Cb -0.11 -0.05 -0.00 0.00 0.38 0.00 0.00 41.96 42.17 3bdm s TYR 157 CO 0.28 -0.37 0.33 0.95 -1.52 0.00 0.00 175.55 175.23 3bdm s THR 158 N -2.10 0.05 0.15 -3.49 -4.23 -0.67 -4.97 115.64 100.39 3bdm s THR 158 Ca -0.09 -1.31 -0.00 0.00 -1.18 0.00 0.00 61.69 59.11 3bdm s THR 158 Cb -0.04 -1.85 -0.04 0.00 1.34 0.00 0.00 72.50 71.92 3bdm s THR 158 CO -0.02 -0.24 0.32 -0.83 -0.54 0.00 0.00 174.62 173.32 3bdm s GLY 159 N -2.96 1.91 0.10 3.99 0.00 -1.26 -1.54 107.32 107.55 3bdm s GLY 159 Ca 0.17 -0.85 -0.06 0.00 0.00 0.00 0.00 44.72 43.97 3bdm s GLY 159 CO 0.01 -0.82 0.15 -0.98 0.00 0.00 0.00 173.10 171.46 3bdm s TRP 160 N -1.73 0.34 -0.19 1.90 0.52 -0.44 -4.98 118.94 114.36 3bdm s TRP 160 Ca 0.37 -0.78 0.00 0.00 0.02 0.00 0.00 56.10 55.72 3bdm s TRP 160 Cb -0.12 -0.17 -0.21 0.00 -1.15 0.00 0.00 33.47 31.82 3bdm s TRP 160 CO 0.28 -0.54 0.07 1.63 0.02 0.00 0.00 176.95 178.41 3bdm n LYS 161 N -0.06 0.70 -3.76 4.98 5.02 -1.26 -4.30 118.16 119.47 3bdm n LYS 161 Ca -0.12 0.19 -0.13 0.00 -2.02 0.00 0.00 58.31 56.23 3bdm n LYS 161 Cb 0.62 -1.61 -0.10 0.00 -0.02 0.00 0.00 35.03 33.92 3bdm n LYS 161 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bdm s ALA 162 N -2.54 -0.79 -0.07 7.82 0.00 -1.26 -0.03 121.76 124.90 3bdm s ALA 162 Ca -0.27 0.77 -0.29 0.00 0.00 0.00 0.00 51.96 52.17 3bdm s ALA 162 Cb 0.08 -0.39 0.11 0.00 0.00 0.00 0.00 23.12 22.91 3bdm s ALA 162 CO 0.70 -0.18 0.90 -1.50 0.00 0.00 0.00 175.76 175.68 3bdm s ILE 163 N -0.17 0.00 0.04 0.00 -1.16 0.24 -5.00 121.20 115.15 3bdm s ILE 163 Ca -0.03 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.11 3bdm s ILE 163 Cb -0.03 -1.00 -0.03 0.00 0.61 0.00 0.00 42.46 42.01 3bdm s ILE 163 CO 0.01 0.00 -0.04 -0.94 -2.81 0.00 0.00 174.94 171.16 3bdm s SER 164 N -1.74 0.51 0.07 4.50 1.04 -1.26 0.62 113.70 117.45 3bdm s SER 164 Ca -0.00 -0.77 -0.02 0.00 0.48 0.00 0.00 55.95 55.64 3bdm s SER 164 Cb -0.01 0.13 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 3bdm s SER 164 CO -0.02 -0.43 0.01 0.68 0.98 0.00 0.00 173.24 174.45 3bdm s VAL 165 N -2.73 0.19 0.00 5.02 -7.23 0.79 -4.95 120.40 111.50 3bdm s VAL 165 Ca -0.03 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 3bdm s VAL 165 Cb -0.01 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.33 3bdm s VAL 165 CO -0.05 -0.87 0.00 0.61 -0.31 0.00 0.00 175.10 174.48 3bdm n GLY 166 N 0.06 0.77 3.87 2.32 0.00 -1.26 -0.85 105.19 110.10 3bdm n GLY 166 Ca -0.13 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 3bdm n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdm s ALA 167 N -2.00 3.28 -1.50 4.61 0.00 -0.03 -4.22 121.76 121.90 3bdm s ALA 167 Ca 0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 51.96 51.77 3bdm s ALA 167 Cb 0.00 -2.80 0.06 0.00 0.00 0.00 0.00 23.12 20.38 3bdm s ALA 167 CO 0.00 -0.06 0.70 0.09 0.00 0.00 0.00 175.76 176.49 3bdm n ASN 168 N -1.35 -2.37 -0.00 0.00 3.02 -1.26 -4.56 115.26 108.73 3bdm n ASN 168 Ca 0.03 -0.92 -0.14 0.00 -0.03 0.00 0.00 54.58 53.52 3bdm n ASN 168 Cb 0.54 -3.35 -0.03 0.00 -0.61 0.00 0.00 39.78 36.33 3bdm n ASN 168 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3bdm h THR 169 N -1.82 1.31 -0.63 3.41 1.35 -1.92 -1.96 112.91 112.64 3bdm h THR 169 Ca -0.60 -1.99 0.05 0.00 -0.55 0.00 0.00 66.41 63.31 3bdm h THR 169 Cb 1.37 1.98 -0.05 0.00 -1.73 0.00 0.00 68.15 69.72 3bdm h THR 169 CO 0.67 0.62 0.35 -1.28 -0.25 0.00 0.00 175.52 175.63 3bdm h SER 170 N 0.46 0.53 -0.18 5.36 0.87 -1.94 0.68 113.55 119.34 3bdm h SER 170 Ca -0.04 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 3bdm h SER 170 Cb 1.34 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 3bdm h SER 170 CO 0.14 0.35 -0.06 0.00 -0.53 0.00 0.00 176.83 176.74 3bdm h ALA 171 N 1.32 0.25 -0.72 6.23 0.00 -1.95 -2.48 119.26 121.91 3bdm h ALA 171 Ca 0.27 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3bdm h ALA 171 Cb 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3bdm h ALA 171 CO -0.16 0.04 0.30 0.00 0.00 0.00 0.00 179.25 179.42 3bdm h ALA 172 N 0.71 0.93 -0.34 0.00 0.00 -0.76 -2.08 119.26 117.72 3bdm h ALA 172 Ca 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3bdm h ALA 172 Cb 0.52 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3bdm h ALA 172 CO 0.02 0.54 0.12 0.37 0.00 0.00 0.00 179.25 180.30 3bdm h GLN 173 N 1.02 0.52 -0.17 0.00 5.75 0.35 -1.61 115.11 120.98 3bdm h GLN 173 Ca 0.24 -0.10 0.02 0.00 -0.15 0.00 0.00 58.65 58.65 3bdm h GLN 173 Cb 0.19 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 3bdm h GLN 173 CO -0.02 0.54 0.06 1.15 -2.65 0.00 0.00 178.83 177.90 3bdm h THR 174 N 0.40 0.96 -0.68 2.39 2.02 -1.27 0.40 112.91 117.13 3bdm h THR 174 Ca 0.11 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.26 3bdm h THR 174 Cb 0.22 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 3bdm h THR 174 CO -0.01 0.03 0.45 -0.07 0.37 0.00 0.00 175.52 176.29 3bdm h LEU 175 N 0.14 0.75 -0.12 2.58 3.38 -1.24 -0.75 115.31 120.05 3bdm h LEU 175 Ca 0.07 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3bdm h LEU 175 Cb 0.04 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3bdm h LEU 175 CO -0.07 0.53 -0.27 -0.07 0.09 0.00 0.00 178.44 178.65 3bdm h LEU 176 N 0.88 0.45 -0.27 1.67 3.38 -0.75 -2.78 115.31 117.89 3bdm h LEU 176 Ca 0.26 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3bdm h LEU 176 Cb -0.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3bdm h LEU 176 CO -0.06 0.94 0.00 1.67 0.09 0.00 0.00 178.44 181.07 3bdm n GLN 177 N -4.44 0.04 -0.05 1.13 7.27 0.13 -1.10 117.38 120.37 3bdm n GLN 177 Ca -0.07 0.42 -0.17 0.00 0.07 0.00 0.00 57.00 57.25 3bdm n GLN 177 Cb 0.46 -1.60 -0.14 0.00 2.41 0.00 0.00 30.24 31.37 3bdm n GLN 177 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 3bdm n MET 178 N -1.69 0.70 -0.05 3.69 2.81 -0.34 -4.63 117.12 117.62 3bdm n MET 178 Ca 0.01 0.20 0.02 0.00 -1.81 0.00 0.00 57.70 56.12 3bdm n MET 178 Cb 0.09 -1.65 0.04 0.00 -0.71 0.00 0.00 33.22 31.00 3bdm n MET 178 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3bdm n ASP 179 N -3.24 2.19 -4.72 7.83 8.00 -0.98 -5.02 116.55 120.61 3bdm n ASP 179 Ca -0.33 -1.92 -0.40 0.00 0.71 0.00 0.00 54.79 52.85 3bdm n ASP 179 Cb 1.05 -0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 42.04 3bdm n ASP 179 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3bdm s TYR 180 N -0.93 3.64 -0.05 1.24 5.04 -0.26 -5.05 117.35 120.99 3bdm s TYR 180 Ca 0.07 1.43 0.03 0.00 -2.44 0.00 0.00 57.07 56.16 3bdm s TYR 180 Cb 0.04 -2.90 0.01 0.00 0.35 0.00 0.00 41.96 39.46 3bdm s TYR 180 CO 0.05 0.11 -0.13 -1.59 -1.34 0.00 0.00 175.55 172.65 3bdm s LYS 181 N 0.63 1.56 0.23 4.97 -2.85 -1.26 -5.01 119.74 118.01 3bdm s LYS 181 Ca 0.42 -0.43 -0.09 0.00 -1.00 0.00 0.00 55.97 54.86 3bdm s LYS 181 Cb -0.19 -1.33 0.36 0.00 -2.06 0.00 0.00 37.83 34.61 3bdm s LYS 181 CO 0.22 0.09 1.63 -0.44 0.10 0.00 0.00 175.35 176.95 3bdm h ASP 182 N 6.69 -0.45 0.00 0.03 3.45 -1.97 0.11 116.42 124.27 3bdm h ASP 182 Ca -0.32 0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.34 3bdm h ASP 182 Cb 1.18 0.37 0.00 0.00 -0.56 0.00 0.00 39.33 40.32 3bdm h ASP 182 CO 0.48 -0.19 0.00 -0.90 -1.57 0.00 0.00 179.24 177.05 3bdm n ASP 183 N -5.39 0.23 -4.59 6.45 5.68 -1.26 -4.51 116.55 113.16 3bdm n ASP 183 Ca 0.11 -1.10 -0.34 0.00 -0.50 0.00 0.00 54.79 52.97 3bdm n ASP 183 Cb 0.42 -0.11 0.12 0.00 -1.14 0.00 0.00 41.12 40.41 3bdm n ASP 183 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 3bdm n MET 184 N -0.20 0.04 -4.35 0.11 2.81 0.38 -4.86 117.12 111.05 3bdm n MET 184 Ca 0.00 0.08 -0.23 0.00 -1.81 0.00 0.00 57.70 55.74 3bdm n MET 184 Cb 0.06 -2.19 -0.08 0.00 -0.71 0.00 0.00 33.22 30.30 3bdm n MET 184 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 3bdm s LYS 185 N -3.80 2.08 0.16 0.03 2.36 -1.26 -2.23 119.74 117.09 3bdm s LYS 185 Ca 0.68 -1.55 -0.22 0.00 -2.55 0.00 0.00 55.97 52.32 3bdm s LYS 185 Cb -0.28 -2.02 0.06 0.00 -1.05 0.00 0.00 37.83 34.54 3bdm s LYS 185 CO 0.56 0.34 1.60 0.28 1.55 0.00 0.00 175.35 179.69 3bdm h VAL 186 N 2.01 0.26 -0.07 4.02 2.07 -1.90 -0.14 116.25 122.50 3bdm h VAL 186 Ca -0.43 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 3bdm h VAL 186 Cb 1.25 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3bdm h VAL 186 CO 0.61 0.00 -0.04 0.44 0.02 0.00 0.00 177.57 178.60 3bdm h ASP 187 N -0.24 0.09 0.08 0.57 5.19 -1.98 0.27 116.42 120.39 3bdm h ASP 187 Ca 0.17 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.57 3bdm h ASP 187 Cb 0.52 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.01 3bdm h ASP 187 CO -0.52 0.14 -0.04 0.44 -3.12 0.00 0.00 179.24 176.14 3bdm h ASP 188 N 0.10 -0.09 -0.80 6.45 3.45 -1.54 -1.69 116.42 122.29 3bdm h ASP 188 Ca 0.02 -0.14 0.04 0.00 0.43 0.00 0.00 57.03 57.38 3bdm h ASP 188 Cb 0.13 0.02 -0.05 0.00 -0.56 0.00 0.00 39.33 38.88 3bdm h ASP 188 CO 0.01 0.08 0.51 0.00 -1.57 0.00 0.00 179.24 178.27 3bdm h ALA 189 N 0.64 1.06 -0.78 3.45 0.00 0.19 -0.41 119.26 123.40 3bdm h ALA 189 Ca -0.01 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.95 3bdm h ALA 189 Cb 0.23 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 3bdm h ALA 189 CO 0.02 0.31 0.46 0.82 0.00 0.00 0.00 179.25 180.86 3bdm h ILE 190 N 0.98 0.97 0.15 0.00 2.04 -0.28 0.20 117.51 121.57 3bdm h ILE 190 Ca 0.33 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 3bdm h ILE 190 Cb 0.04 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 3bdm h ILE 190 CO -0.12 0.15 -0.07 -0.08 0.00 0.00 0.00 178.15 178.02 3bdm h GLU 191 N 0.81 -0.19 -0.84 2.37 4.81 -0.53 -1.80 114.58 119.21 3bdm h GLU 191 Ca 0.36 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.77 3bdm h GLU 191 Cb 0.25 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.57 3bdm h GLU 191 CO -0.21 0.23 0.39 1.25 -0.73 0.00 0.00 179.01 179.95 3bdm h LEU 192 N -0.71 0.42 0.33 1.64 6.46 -0.87 0.54 115.31 123.12 3bdm h LEU 192 Ca -0.02 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 3bdm h LEU 192 Cb 0.51 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 3bdm h LEU 192 CO 0.03 0.14 -0.28 0.00 -0.62 0.00 0.00 178.44 177.71 3bdm h ALA 193 N 1.60 -1.02 -0.59 1.25 0.00 -0.50 -0.25 119.26 119.75 3bdm h ALA 193 Ca 0.48 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.39 3bdm h ALA 193 Cb 0.75 0.48 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 3bdm h ALA 193 CO -0.42 -1.02 0.08 -0.07 0.00 0.00 0.00 179.25 177.83 3bdm h LEU 194 N -0.59 -0.09 -0.36 0.00 3.38 -0.65 -2.05 115.31 114.96 3bdm h LEU 194 Ca -0.04 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3bdm h LEU 194 Cb 0.50 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3bdm h LEU 194 CO -0.01 -0.03 0.22 0.11 0.09 0.00 0.00 178.44 178.82 3bdm h LYS 195 N 0.21 0.43 -0.27 1.13 1.79 -0.82 -0.98 116.57 118.06 3bdm h LYS 195 Ca 0.31 -0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.80 3bdm h LYS 195 Cb 0.47 -0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 30.98 3bdm h LYS 195 CO -0.43 0.28 -0.02 1.15 -1.08 0.00 0.00 179.45 179.35 3bdm h THR 196 N 0.44 0.78 0.26 -0.16 2.02 -0.34 -2.16 112.91 113.75 3bdm h THR 196 Ca 0.14 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 3bdm h THR 196 Cb -0.01 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3bdm h THR 196 CO -0.06 0.01 -0.21 -0.07 0.37 0.00 0.00 175.52 175.57 3bdm h LEU 197 N 0.06 -0.53 -1.57 2.58 3.38 -1.29 -2.16 115.31 115.78 3bdm h LEU 197 Ca 0.13 0.04 0.28 0.00 0.09 0.00 0.00 57.88 58.42 3bdm h LEU 197 Cb 0.18 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3bdm h LEU 197 CO -0.23 -0.31 0.95 -1.28 0.09 0.00 0.00 178.44 177.65 3bdm h SER 198 N -0.47 0.00 0.25 -0.43 0.87 -0.65 0.48 113.55 113.60 3bdm h SER 198 Ca -0.01 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 3bdm h SER 198 Cb 0.42 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 3bdm h SER 198 CO -0.02 0.00 -1.78 0.29 -0.53 0.00 0.00 176.83 174.80 3bdm n LYS 199 N -3.58 0.65 0.00 2.24 5.02 -0.86 -4.37 118.16 117.27 3bdm n LYS 199 Ca 0.21 -0.10 0.08 0.00 -2.02 0.00 0.00 58.31 56.47 3bdm n LYS 199 Cb 1.25 -1.60 -0.13 0.00 -0.02 0.00 0.00 35.03 34.54 3bdm n LYS 199 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3bdm n THR 200 N -2.40 0.37 -1.50 -0.18 -2.24 0.13 -4.99 114.28 103.47 3bdm n THR 200 Ca -0.05 -0.56 -0.49 0.00 -2.27 0.00 0.00 64.05 60.68 3bdm n THR 200 Cb 0.61 -0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.63 3bdm n THR 200 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3bdm n THR 202 N -2.44 1.43 1.21 4.28 -1.04 0.10 -4.85 114.28 112.98 3bdm n THR 202 Ca -0.07 -0.36 0.13 0.00 -2.04 0.00 0.00 64.05 61.71 3bdm n THR 202 Cb 0.65 -0.41 0.37 0.00 -1.82 0.00 0.00 70.33 69.12 3bdm n THR 202 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3bdm n ASP 203 N 1.77 0.92 -4.86 8.00 8.00 -1.26 -4.90 116.55 124.23 3bdm n ASP 203 Ca 0.16 -0.77 -0.25 0.00 0.71 0.00 0.00 54.79 54.63 3bdm n ASP 203 Cb 0.24 0.14 0.08 0.00 -0.02 0.00 0.00 41.12 41.56 3bdm n ASP 203 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3bdm s SER 204 N -2.58 4.72 0.02 -2.24 0.01 -1.26 -5.04 113.70 107.33 3bdm s SER 204 Ca 0.22 0.30 -0.22 0.00 1.31 0.00 0.00 55.95 57.56 3bdm s SER 204 Cb 0.19 -0.91 -0.12 0.00 0.21 0.00 0.00 66.02 65.39 3bdm s SER 204 CO 0.55 -1.64 1.16 0.28 0.41 0.00 0.00 173.24 174.00 3bdm h SER 20 N -0.57 -0.67 -3.36 2.44 0.02 -2.01 -3.46 113.55 105.94 3bdm h SER 20 Ca -0.43 0.02 -0.45 0.00 -0.84 0.00 0.00 61.79 60.09 3bdm h SER 20 Cb 1.30 0.17 -0.14 0.00 0.14 0.00 0.00 62.40 63.88 3bdm h SER 20 CO 0.56 -0.42 -0.64 0.00 -1.14 0.00 0.00 176.83 175.19 3bdm s ALA 20 N -4.67 2.18 -0.72 3.77 0.00 -1.26 -5.10 121.76 115.96 3bdm s ALA 20 Ca -0.11 -1.93 -0.13 0.00 0.00 0.00 0.00 51.96 49.79 3bdm s ALA 20 Cb 0.01 0.48 0.19 0.00 0.00 0.00 0.00 23.12 23.80 3bdm s ALA 20 CO 0.34 -0.23 0.65 -1.17 0.00 0.00 0.00 175.76 175.35 3bdm s LEU 205 N -3.42 6.41 0.33 0.00 2.96 -1.26 -5.05 118.68 118.65 3bdm s LEU 205 Ca 0.32 -2.46 -0.02 0.00 -0.22 0.00 0.00 54.13 51.74 3bdm s LEU 205 Cb 0.06 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 3bdm s LEU 205 CO 0.12 -0.62 0.56 0.42 -1.32 0.00 0.00 176.35 175.52 3bdm s THR 206 N 0.53 5.06 0.27 3.68 -4.23 -1.26 -5.00 115.64 114.69 3bdm s THR 206 Ca 0.14 -0.20 -0.04 0.00 -1.18 0.00 0.00 61.69 60.41 3bdm s THR 206 Cb -0.17 -3.81 0.23 0.00 1.34 0.00 0.00 72.50 70.10 3bdm s THR 206 CO -0.05 -0.47 1.91 0.10 -0.54 0.00 0.00 174.62 175.56 3bdm h TYR 207 N 1.13 1.11 0.00 3.99 -0.00 -1.92 -2.57 116.97 118.71 3bdm h TYR 207 Ca -0.49 -0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.24 3bdm h TYR 207 Cb 1.20 -0.36 0.00 0.00 -0.00 0.00 0.00 36.73 37.57 3bdm h TYR 207 CO 0.54 0.75 0.00 -0.40 -0.00 0.00 0.00 178.16 179.05 3bdm n ASP 208 N -4.36 0.00 -0.45 0.10 5.75 -1.26 -0.93 116.55 115.40 3bdm n ASP 208 Ca 0.09 0.39 0.08 0.00 -0.01 0.00 0.00 54.79 55.34 3bdm n ASP 208 Cb 0.07 -0.40 0.17 0.00 -1.03 0.00 0.00 41.12 39.93 3bdm n ASP 208 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3bdm n ARG 209 N -1.40 2.35 -4.25 0.11 1.74 -0.97 -4.95 116.66 109.29 3bdm n ARG 209 Ca 0.00 -2.46 -0.17 0.00 -0.77 0.00 0.00 57.85 54.46 3bdm n ARG 209 Cb 0.01 -1.53 -0.11 0.00 -1.02 0.00 0.00 32.46 29.81 3bdm n ARG 209 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3bdm s LEU 210 N -2.35 2.45 -0.03 0.55 1.43 -0.11 0.07 118.68 120.69 3bdm s LEU 210 Ca 0.30 -0.88 0.02 0.00 -1.03 0.00 0.00 54.13 52.54 3bdm s LEU 210 Cb 0.24 -0.48 0.01 0.00 0.03 0.00 0.00 46.19 45.99 3bdm s LEU 210 CO 0.06 -0.21 -0.07 -1.61 0.23 0.00 0.00 176.35 174.76 3bdm s GLU 211 N -3.07 0.84 0.01 1.70 2.02 -0.89 -4.90 118.70 114.41 3bdm s GLU 211 Ca 0.12 -0.21 0.02 0.00 0.02 0.00 0.00 54.97 54.91 3bdm s GLU 211 Cb -0.02 -0.80 -0.01 0.00 0.10 0.00 0.00 34.13 33.40 3bdm s GLU 211 CO 0.02 0.04 -0.06 0.12 0.02 0.00 0.00 175.26 175.40 3bdm s PHE 212 N 0.41 0.56 -0.07 1.61 5.36 -1.26 -1.83 117.98 122.75 3bdm s PHE 212 Ca -0.06 -0.19 -0.15 0.00 -0.96 0.00 0.00 56.93 55.57 3bdm s PHE 212 Cb -0.10 -0.35 0.03 0.00 -0.34 0.00 0.00 43.02 42.26 3bdm s PHE 212 CO 0.00 -0.02 0.36 0.00 -1.46 0.00 0.00 175.22 174.10 3bdm s ALA 213 N -0.42 -0.91 0.01 11.12 0.00 -0.02 -0.29 121.76 131.25 3bdm s ALA 213 Ca -0.00 0.71 0.01 0.00 0.00 0.00 0.00 51.96 52.68 3bdm s ALA 213 Cb -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 3bdm s ALA 213 CO -0.00 -0.23 -0.05 0.95 0.00 0.00 0.00 175.76 176.43 3bdm s THR 214 N -0.64 0.37 -0.47 0.00 -4.23 -0.75 -0.28 115.64 109.64 3bdm s THR 214 Ca -0.07 -0.44 -0.00 0.00 -1.18 0.00 0.00 61.69 60.00 3bdm s THR 214 Cb -0.04 -0.36 0.13 0.00 1.34 0.00 0.00 72.50 73.57 3bdm s THR 214 CO 0.03 -0.05 0.25 -0.63 -0.54 0.00 0.00 174.62 173.67 3bdm s ILE 215 N -0.48 3.05 0.28 2.99 1.09 -0.30 -1.58 121.20 126.25 3bdm s ILE 215 Ca -0.02 -2.62 0.11 0.00 -1.10 0.00 0.00 60.65 57.02 3bdm s ILE 215 Cb -0.04 -3.09 -0.05 0.00 -1.06 0.00 0.00 42.46 38.22 3bdm s ILE 215 CO -0.00 -0.74 -0.13 -0.13 -0.10 0.00 0.00 174.94 173.83 3bdm s ARG 216 N 0.48 1.86 -0.89 2.79 0.52 -0.64 -1.75 118.95 121.31 3bdm s ARG 216 Ca 0.13 -1.70 -0.01 0.00 -0.52 0.00 0.00 55.73 53.63 3bdm s ARG 216 Cb -0.22 -1.87 0.24 0.00 0.52 0.00 0.00 34.95 33.62 3bdm s ARG 216 CO -0.04 0.31 0.88 1.17 0.02 0.00 0.00 175.30 177.64 3bdm n LYS 21 N -0.72 2.87 -1.36 3.54 4.81 -1.26 0.15 118.16 126.20 3bdm n LYS 21 Ca -0.05 -4.52 -0.52 0.00 -0.87 0.00 0.00 58.31 52.35 3bdm n LYS 21 Cb 0.60 -2.41 -0.12 0.00 0.02 0.00 0.00 35.03 33.12 3bdm n LYS 21 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3bdm n GLY 21 N 1.98 -0.19 0.32 3.14 0.00 -1.24 -4.76 105.19 104.44 3bdm n GLY 21 Ca 0.23 1.10 0.11 0.00 0.00 0.00 0.00 46.02 47.46 3bdm n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdm h ALA 217 N 10.68 1.02 0.00 4.61 0.00 -1.96 -2.16 119.26 131.45 3bdm h ALA 217 Ca -0.10 0.31 -0.30 0.00 0.00 0.00 0.00 54.91 54.82 3bdm h ALA 217 Cb 1.37 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 3bdm h ALA 217 CO 1.19 -0.50 1.44 -1.71 0.00 0.00 0.00 179.25 179.66 3bdm n ASN 218 N -5.45 4.87 0.05 0.00 4.05 -1.26 -3.38 115.26 114.13 3bdm n ASN 218 Ca 0.20 -2.29 0.00 0.00 0.45 0.00 0.00 54.58 52.94 3bdm n ASN 218 Cb 0.65 -1.11 0.00 0.00 1.23 0.00 0.00 39.78 40.55 3bdm n ASN 218 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 3bdm n ASP 21 N 3.34 -0.84 0.00 1.20 2.03 -0.84 -5.02 116.55 116.42 3bdm n ASP 21 Ca 0.42 0.46 0.00 0.00 0.52 0.00 0.00 54.79 56.20 3bdm n ASP 21 Cb 0.40 1.09 0.00 0.00 -0.72 0.00 0.00 41.12 41.89 3bdm n ASP 21 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3bdm n GLY 21 N -1.21 0.61 3.46 0.27 0.00 -1.05 -5.08 105.19 102.18 3bdm n GLY 21 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3bdm n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bdm s GLU 219 N -0.89 1.85 0.39 1.61 2.12 -1.26 -5.04 118.70 117.48 3bdm s GLU 219 Ca 0.00 -1.12 -0.25 0.00 0.36 0.00 0.00 54.97 53.96 3bdm s GLU 219 Cb 0.00 -2.11 -0.09 0.00 0.26 0.00 0.00 34.13 32.19 3bdm s GLU 219 CO 0.00 0.50 1.09 0.08 -0.54 0.00 0.00 175.26 176.39 3bdm s VAL 21 N -1.04 3.54 -0.01 3.70 1.01 -1.26 -3.68 120.40 122.65 3bdm s VAL 21 Ca 0.16 1.25 0.04 0.00 0.00 0.00 0.00 61.98 63.43 3bdm s VAL 21 Cb -0.10 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 3bdm s VAL 21 CO 0.08 0.07 -0.12 -0.47 0.00 0.00 0.00 175.10 174.66 3bdm s TYR 220 N -1.53 1.13 -0.14 5.22 6.14 0.39 -4.95 117.35 123.60 3bdm s TYR 220 Ca 0.56 -0.22 -0.07 0.00 0.64 0.00 0.00 57.07 57.98 3bdm s TYR 220 Cb -0.25 -0.73 -0.04 0.00 0.42 0.00 0.00 41.96 41.35 3bdm s TYR 220 CO 0.32 -0.03 0.12 -0.65 0.64 0.00 0.00 175.55 175.95 3bdm s GLN 221 N -0.25 3.61 -0.15 4.97 -0.21 -1.26 -1.62 119.66 124.75 3bdm s GLN 221 Ca 0.04 -0.19 -0.04 0.00 0.02 0.00 0.00 55.36 55.20 3bdm s GLN 221 Cb -0.05 -3.21 0.05 0.00 1.00 0.00 0.00 33.01 30.80 3bdm s GLN 221 CO -0.00 0.63 0.07 0.21 -2.12 0.00 0.00 175.29 174.08 3bdm s LYS 222 N -0.61 0.16 -0.36 2.91 2.20 -0.62 -5.00 119.74 118.41 3bdm s LYS 222 Ca 0.13 -0.05 -0.15 0.00 -0.36 0.00 0.00 55.97 55.54 3bdm s LYS 222 Cb -0.12 -1.61 -0.00 0.00 -1.51 0.00 0.00 37.83 34.59 3bdm s LYS 222 CO 0.02 -0.59 0.33 0.42 -0.36 0.00 0.00 175.35 175.17 3bdm s ILE 223 N 2.09 5.21 0.48 5.43 1.01 -1.26 -1.80 121.20 132.35 3bdm s ILE 223 Ca 0.02 -0.21 -0.24 0.00 0.00 0.00 0.00 60.65 60.22 3bdm s ILE 223 Cb -0.15 -3.84 -0.07 0.00 0.01 0.00 0.00 42.46 38.40 3bdm s ILE 223 CO -0.08 -0.15 1.43 -0.36 0.00 0.00 0.00 174.94 175.77 3bdm s PHE 224 N 1.89 2.38 0.44 3.97 2.99 0.61 -4.99 117.98 125.26 3bdm s PHE 224 Ca 0.09 1.27 -0.02 0.00 0.00 0.00 0.00 56.93 58.27 3bdm s PHE 224 Cb -0.17 -3.92 -0.02 0.00 0.00 0.00 0.00 43.02 38.90 3bdm s PHE 224 CO 0.11 -3.03 0.69 0.15 -0.00 0.00 0.00 175.22 173.15 3bdm s LYS 225 N -2.58 3.35 0.21 0.44 1.02 -1.26 -4.62 119.74 116.31 3bdm s LYS 225 Ca 0.64 -0.16 -0.15 0.00 0.02 0.00 0.00 55.97 56.33 3bdm s LYS 225 Cb -0.44 -2.50 0.23 0.00 -0.52 0.00 0.00 37.83 34.60 3bdm s LYS 225 CO 0.55 -0.15 1.62 -1.35 -0.92 0.00 0.00 175.35 175.09 3bdm h PRO 226 N 0.40 -0.03 0.00 -1.68 0.11 -1.94 0.24 132.00 129.09 3bdm h PRO 226 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3bdm h PRO 226 Cb 1.23 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3bdm h PRO 226 CO 0.60 -0.02 -0.05 0.37 -0.21 0.00 0.00 178.00 178.69 3bdm h GLN 227 N -0.03 0.00 0.06 1.05 5.75 -1.99 -1.60 115.11 118.35 3bdm h GLN 227 Ca 0.30 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.67 3bdm h GLN 227 Cb 0.50 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.06 3bdm h GLN 227 CO -0.67 0.05 -0.54 0.93 -2.65 0.00 0.00 178.83 175.94 3bdm h GLU 228 N 0.00 0.26 -0.74 1.69 5.08 -0.94 -2.75 114.58 117.19 3bdm h GLU 228 Ca -0.00 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 3bdm h GLU 228 Cb 0.20 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3bdm h GLU 228 CO 0.01 1.11 0.37 0.82 -1.00 0.00 0.00 179.01 180.32 3bdm h ILE 229 N -0.41 1.23 -0.74 3.13 2.04 -0.95 -2.12 117.51 119.69 3bdm h ILE 229 Ca -0.08 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.16 3bdm h ILE 229 Cb 1.35 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 3bdm h ILE 229 CO 0.10 0.27 0.46 0.50 0.00 0.00 0.00 178.15 179.48 3bdm h LYS 230 N 1.04 0.99 0.42 2.37 3.64 -1.34 -0.11 116.57 123.59 3bdm h LYS 230 Ca 0.26 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3bdm h LYS 230 Cb 0.07 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3bdm h LYS 230 CO -0.04 0.68 -0.20 -0.44 -2.27 0.00 0.00 179.45 177.18 3bdm h ASP 231 N 1.01 -0.48 -1.14 4.20 3.45 -1.11 -2.71 116.42 119.63 3bdm h ASP 231 Ca 0.27 0.02 0.33 0.00 0.43 0.00 0.00 57.03 58.07 3bdm h ASP 231 Cb -0.07 0.12 -0.05 0.00 -0.56 0.00 0.00 39.33 38.77 3bdm h ASP 231 CO -0.05 -0.28 0.81 -0.29 -1.57 0.00 0.00 179.24 177.86 3bdm h ILE 232 N -0.69 0.43 -0.35 0.35 6.09 -1.38 0.19 117.51 122.15 3bdm h ILE 232 Ca -0.06 -0.02 -0.05 0.00 -1.37 0.00 0.00 64.86 63.36 3bdm h ILE 232 Cb 0.43 0.38 -0.01 0.00 0.47 0.00 0.00 36.82 38.09 3bdm h ILE 232 CO 0.09 0.01 0.01 0.25 -3.07 0.00 0.00 178.15 175.45 3bdm h LEU 233 N 0.05 0.59 -0.52 2.19 5.85 -0.87 -1.45 115.31 121.15 3bdm h LEU 233 Ca 0.56 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.92 3bdm h LEU 233 Cb 2.12 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.98 3bdm h LEU 233 CO -0.05 0.74 0.08 0.58 -0.34 0.00 0.00 178.44 179.46 3bdm h VAL 234 N 0.42 1.25 -0.00 1.05 2.07 -0.34 -2.04 116.25 118.66 3bdm h VAL 234 Ca 0.10 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 3bdm h VAL 234 Cb 0.43 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3bdm h VAL 234 CO 0.02 0.34 0.00 0.11 0.02 0.00 0.00 177.57 178.06 3bdm h LYS 235 N 0.75 0.01 0.00 1.57 1.79 -1.19 -1.86 116.57 117.63 3bdm h LYS 235 Ca 0.16 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 3bdm h LYS 235 Cb 0.41 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 3bdm h LYS 235 CO 0.01 0.15 0.00 0.25 -1.08 0.00 0.00 179.45 178.78 3bdm n THR 236 N -5.02 0.32 -2.16 -0.16 -2.24 -0.56 -4.77 114.28 99.69 3bdm n THR 236 Ca -0.07 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3bdm n THR 236 Cb 0.10 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 3bdm n THR 236 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bdm n GLY 237 N -0.89 0.66 0.00 3.38 0.00 -0.70 -4.95 105.19 102.69 3bdm n GLY 237 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3bdm n GLY 237 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3bdm n ILE 238 N -1.59 0.00 -0.02 -0.61 5.41 -0.80 -5.05 119.36 116.70 3bdm n ILE 238 Ca 0.00 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.47 3bdm n ILE 238 Cb 0.49 1.19 0.00 0.00 -0.71 0.00 0.00 39.64 40.61 3bdm n ILE 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96