#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhh s PHE 3 N 0.00 3.06 0.30 0.66 0.08 -1.26 -5.11 117.98 115.70 3dhh s PHE 3 Ca 0.00 -0.43 -0.01 0.00 0.12 0.00 0.00 56.93 56.61 3dhh s PHE 3 Cb 0.00 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.30 3dhh s PHE 3 CO 0.00 -0.24 0.51 -1.83 -0.10 0.00 0.00 175.22 173.56 3dhh s GLU 4 N 1.06 3.53 0.11 0.44 -1.05 -1.26 -5.08 118.70 116.45 3dhh s GLU 4 Ca 0.02 -0.24 -0.30 0.00 -0.15 0.00 0.00 54.97 54.30 3dhh s GLU 4 Cb -0.14 -2.70 -0.06 0.00 -0.44 0.00 0.00 34.13 30.79 3dhh s GLU 4 CO 0.02 0.23 0.95 0.45 0.95 0.00 0.00 175.26 177.86 3dhh s SER 5 N -3.59 7.49 0.04 0.83 0.15 -1.26 -5.06 113.70 112.31 3dhh s SER 5 Ca 0.41 1.78 0.03 0.00 0.70 0.00 0.00 55.95 58.87 3dhh s SER 5 Cb -0.10 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 61.60 3dhh s SER 5 CO 0.33 -0.06 -0.09 -0.54 1.20 0.00 0.00 173.24 174.08 3dhh s LYS 6 N -0.01 0.59 0.53 5.44 1.02 -1.26 -5.16 119.74 120.88 3dhh s LYS 6 Ca 0.47 -0.71 -0.10 0.00 0.02 0.00 0.00 55.97 55.64 3dhh s LYS 6 Cb -0.23 -0.43 -0.05 0.00 -0.52 0.00 0.00 37.83 36.60 3dhh s LYS 6 CO 0.30 0.09 0.91 -1.59 -0.92 0.00 0.00 175.35 174.14 3dhh s LYS 7 N -1.39 3.68 0.41 1.68 -2.85 -1.26 -5.02 119.74 114.99 3dhh s LYS 7 Ca -0.07 0.60 -0.25 0.00 -1.00 0.00 0.00 55.97 55.25 3dhh s LYS 7 Cb -0.09 -2.22 -0.11 0.00 -2.06 0.00 0.00 37.83 33.35 3dhh s LYS 7 CO 0.01 -0.33 1.05 -2.30 0.10 0.00 0.00 175.35 173.88 3dhh n PRO 8 N -2.16 1.44 -3.44 1.78 -0.02 -1.26 -5.00 135.00 126.33 3dhh n PRO 8 Ca 0.04 0.51 -0.29 0.00 -2.02 0.00 0.00 63.50 61.75 3dhh n PRO 8 Cb 0.54 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 3dhh n PRO 8 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3dhh s MET 9 N -2.00 3.62 0.10 -0.52 -1.94 -1.26 -4.99 119.30 112.31 3dhh s MET 9 Ca 0.62 -0.05 0.25 0.00 -1.71 0.00 0.00 55.69 54.80 3dhh s MET 9 Cb -0.56 -2.70 0.96 0.00 2.01 0.00 0.00 34.83 34.53 3dhh s MET 9 CO 0.57 0.28 1.77 2.89 -0.01 0.00 0.00 175.02 180.52 3dhh n ARG 10 N -0.74 0.11 -2.31 2.03 1.85 -1.26 -4.89 116.66 111.45 3dhh n ARG 10 Ca -0.02 0.17 -0.05 0.00 -1.00 0.00 0.00 57.85 56.96 3dhh n ARG 10 Cb 0.54 -1.65 -0.00 0.00 -1.05 0.00 0.00 32.46 30.29 3dhh n ARG 10 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 3dhh n THR 11 N -1.84 0.00 -1.72 8.89 5.66 -1.26 -5.07 114.28 118.94 3dhh n THR 11 Ca 0.05 -0.56 -0.37 0.00 -3.05 0.00 0.00 64.05 60.12 3dhh n THR 11 Cb 0.32 0.39 0.07 0.00 -1.55 0.00 0.00 70.33 69.56 3dhh n THR 11 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 3dhh n TRP 12 N -0.21 1.82 -0.32 1.09 5.03 -1.26 -4.76 117.44 118.83 3dhh n TRP 12 Ca -0.01 0.42 0.14 0.00 3.03 0.00 0.00 57.50 61.08 3dhh n TRP 12 Cb 0.21 -2.26 0.37 0.00 -1.03 0.00 0.00 31.31 28.61 3dhh n TRP 12 CO 0.00 0.00 0.00 0.66 -0.03 0.00 0.00 177.69 178.32 3dhh h SER 13 N 0.53 0.70 0.94 -0.99 4.64 -2.00 -0.96 113.55 116.41 3dhh h SER 13 Ca -0.51 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3dhh h SER 13 Cb 1.34 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3dhh h SER 13 CO 0.53 0.27 0.00 1.12 -0.87 0.00 0.00 176.83 177.88 3dhh h HIS 14 N 0.69 0.00 -0.01 4.77 2.07 -2.02 -3.00 115.15 117.65 3dhh h HIS 14 Ca 0.54 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.06 3dhh h HIS 14 Cb 0.93 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.91 3dhh h HIS 14 CO -0.00 0.00 -0.41 1.28 -3.07 0.00 0.00 177.93 175.73 3dhh n LEU 15 N -2.83 1.13 0.31 6.12 4.77 -0.47 -4.66 117.00 121.37 3dhh n LEU 15 Ca 0.01 -0.67 0.18 0.00 -0.03 0.00 0.00 56.01 55.51 3dhh n LEU 15 Cb 0.28 0.00 1.02 0.00 -2.33 0.00 0.00 43.42 42.40 3dhh n LEU 15 CO 0.25 0.23 1.15 0.00 -1.33 0.00 0.00 177.39 177.70 3dhh h ALA 16 N 2.16 1.35 -0.00 -1.18 0.00 -1.13 -0.80 119.26 119.66 3dhh h ALA 16 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dhh h ALA 16 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3dhh h ALA 16 CO 0.00 -0.05 -0.42 -0.85 0.00 0.00 0.00 179.25 177.93 3dhh n GLU 17 N -3.50 0.14 -1.64 0.00 0.00 -1.26 -4.93 120.64 109.44 3dhh n GLU 17 Ca -0.02 -0.07 -0.40 0.00 0.00 0.00 0.00 57.16 56.66 3dhh n GLU 17 Cb 0.12 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.09 3dhh n GLU 17 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3dhh n MET 18 N -1.37 1.37 0.19 3.44 2.81 -0.31 -4.94 117.12 118.32 3dhh n MET 18 Ca 0.07 0.50 -0.11 0.00 -1.81 0.00 0.00 57.70 56.34 3dhh n MET 18 Cb 0.34 -2.19 -0.06 0.00 -0.71 0.00 0.00 33.22 30.59 3dhh n MET 18 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3dhh h ARG 19 N 1.34 -0.53 -7.08 0.03 3.08 -1.91 -3.46 114.38 105.85 3dhh h ARG 19 Ca -0.47 0.04 -0.46 0.00 0.07 0.00 0.00 59.98 59.16 3dhh h ARG 19 Cb 1.33 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.50 3dhh h ARG 19 CO 0.56 -0.24 0.33 0.15 -1.07 0.00 0.00 179.97 179.69 3dhh s LYS 20 N -3.94 4.09 0.12 0.04 1.02 -1.26 -5.01 119.74 114.81 3dhh s LYS 20 Ca -0.12 1.01 -0.32 0.00 0.02 0.00 0.00 55.97 56.56 3dhh s LYS 20 Cb 0.01 -2.19 -0.12 0.00 -0.52 0.00 0.00 37.83 35.02 3dhh s LYS 20 CO 0.39 -0.11 1.76 1.17 -0.92 0.00 0.00 175.35 177.64 3dhh n LYS 21 N -1.01 2.57 -1.67 1.68 4.81 -1.26 -4.91 118.16 118.37 3dhh n LYS 21 Ca 0.06 0.93 -0.44 0.00 -0.87 0.00 0.00 58.31 58.00 3dhh n LYS 21 Cb 0.54 -2.79 -0.02 0.00 0.02 0.00 0.00 35.03 32.78 3dhh n LYS 21 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3dhh n PRO 22 N 4.94 2.03 -2.09 1.64 -0.02 -1.26 -4.99 135.00 135.24 3dhh n PRO 22 Ca 0.18 0.72 -0.27 0.00 -2.02 0.00 0.00 63.50 62.11 3dhh n PRO 22 Cb 0.34 -2.34 0.07 0.00 -0.02 0.00 0.00 33.50 31.55 3dhh n PRO 22 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3dhh s SER 23 N 0.08 4.80 0.19 2.55 1.04 -1.26 -4.88 113.70 116.21 3dhh s SER 23 Ca 0.64 0.62 -0.15 0.00 0.48 0.00 0.00 55.95 57.54 3dhh s SER 23 Cb -0.63 -1.25 0.18 0.00 0.10 0.00 0.00 66.02 64.42 3dhh s SER 23 CO 0.54 -1.65 1.64 -0.08 0.98 0.00 0.00 173.24 174.67 3dhh h GLU 24 N -0.73 -0.00 -0.42 4.02 4.81 -1.99 -1.54 114.58 118.72 3dhh h GLU 24 Ca -0.45 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.86 3dhh h GLU 24 Cb 1.31 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.62 3dhh h GLU 24 CO 0.62 -0.00 -0.08 -0.92 -0.73 0.00 0.00 179.01 177.91 3dhh h TYR 25 N -0.00 -0.17 -0.07 0.92 3.20 -1.94 -1.93 116.97 116.98 3dhh h TYR 25 Ca 0.26 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 3dhh h TYR 25 Cb 0.40 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 3dhh h TYR 25 CO -0.45 -0.16 0.04 -0.44 -1.64 0.00 0.00 178.16 175.51 3dhh h ASP 26 N 0.03 0.09 -0.67 -2.11 3.32 -1.75 -2.04 116.42 113.30 3dhh h ASP 26 Ca 0.21 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.21 3dhh h ASP 26 Cb 0.31 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.79 3dhh h ASP 26 CO -0.41 0.15 0.39 0.40 -1.72 0.00 0.00 179.24 178.05 3dhh h ILE 27 N 0.03 1.03 -0.01 0.35 2.04 -1.00 -3.08 117.51 116.87 3dhh h ILE 27 Ca 0.03 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3dhh h ILE 27 Cb 0.08 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3dhh h ILE 27 CO -0.00 0.14 -0.65 1.33 0.00 0.00 0.00 178.15 178.96 3dhh n VAL 28 N -4.74 0.00 -0.00 1.67 0.24 -0.75 -4.59 118.33 110.16 3dhh n VAL 28 Ca 0.08 -0.14 0.01 0.00 -2.04 0.00 0.00 64.34 62.24 3dhh n VAL 28 Cb 0.13 1.05 -0.02 0.00 -1.47 0.00 0.00 33.84 33.52 3dhh n VAL 28 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3dhh n SER 29 N -0.67 4.30 -4.78 -1.34 7.64 -0.78 -5.07 113.62 112.93 3dhh n SER 29 Ca 0.07 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.58 3dhh n SER 29 Cb 0.40 1.09 -0.07 0.00 -1.01 0.00 0.00 64.21 64.63 3dhh n SER 29 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3dhh s ARG 30 N -2.20 4.02 -1.13 1.43 0.52 -1.17 -3.74 118.95 116.69 3dhh s ARG 30 Ca -0.01 0.14 -0.09 0.00 -0.52 0.00 0.00 55.73 55.25 3dhh s ARG 30 Cb 0.02 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 3dhh s ARG 30 CO 0.13 0.45 0.86 1.17 0.02 0.00 0.00 175.30 177.93 3dhh n LYS 31 N 2.84 -2.75 -0.00 3.54 4.81 -1.26 -4.95 118.16 120.38 3dhh n LYS 31 Ca -0.14 0.71 0.07 0.00 -0.87 0.00 0.00 58.31 58.09 3dhh n LYS 31 Cb 0.53 -5.26 -0.10 0.00 0.02 0.00 0.00 35.03 30.22 3dhh n LYS 31 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3dhh n LEU 32 N -3.74 0.35 -4.55 3.14 4.77 -1.26 -4.84 117.00 110.87 3dhh n LEU 32 Ca -0.13 -0.26 -0.41 0.00 -0.03 0.00 0.00 56.01 55.17 3dhh n LEU 32 Cb 0.62 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 3dhh n LEU 32 CO 0.63 0.09 1.14 -1.00 -1.33 0.00 0.00 177.39 176.92 3dhh s HIS 33 N -2.66 2.36 -0.17 -1.77 3.76 -1.26 -4.81 115.29 110.75 3dhh s HIS 33 Ca 0.00 0.05 0.29 0.00 -0.15 0.00 0.00 55.06 55.25 3dhh s HIS 33 Cb 0.10 -4.59 0.94 0.00 1.11 0.00 0.00 32.58 30.14 3dhh s HIS 33 CO 0.59 -1.96 1.82 0.10 -0.85 0.00 0.00 174.74 174.45 3dhh h TYR 34 N 9.91 0.00 0.00 1.40 -0.00 -1.95 -3.24 116.97 123.08 3dhh h TYR 34 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.46 3dhh h TYR 34 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.78 3dhh h TYR 34 CO 1.10 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 178.13 3dhh n SER 35 N -3.01 0.00 -0.74 0.10 3.41 -1.26 -1.57 113.62 110.55 3dhh n SER 35 Ca 0.02 0.38 0.12 0.00 -0.26 0.00 0.00 58.87 59.13 3dhh n SER 35 Cb 0.39 -0.40 0.12 0.00 -0.26 0.00 0.00 64.21 64.06 3dhh n SER 35 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3dhh n THR 36 N -1.40 0.00 -0.05 6.66 -2.24 -1.22 -4.33 114.28 111.70 3dhh n THR 36 Ca 0.01 -0.39 -0.16 0.00 -2.27 0.00 0.00 64.05 61.24 3dhh n THR 36 Cb 0.02 1.29 -0.06 0.00 -2.10 0.00 0.00 70.33 69.48 3dhh n THR 36 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3dhh h ASN 37 N 3.65 0.85 -3.47 3.42 2.35 -1.53 -3.40 115.58 117.46 3dhh h ASN 37 Ca 0.00 -0.59 -0.70 0.00 -0.55 0.00 0.00 56.30 54.46 3dhh h ASN 37 Cb 0.86 -0.25 -0.32 0.00 0.05 0.00 0.00 38.32 38.67 3dhh h ASN 37 CO 0.00 1.29 -0.51 0.21 -1.65 0.00 0.00 177.43 176.77 3dhh s ASN 38 N -6.89 5.40 0.42 5.81 3.84 -1.26 -4.98 114.94 117.29 3dhh s ASN 38 Ca -0.11 -1.81 0.15 0.00 0.21 0.00 0.00 52.86 51.30 3dhh s ASN 38 Cb 0.08 -1.89 1.02 0.00 -0.55 0.00 0.00 41.25 39.91 3dhh s ASN 38 CO 0.87 -0.55 1.91 -0.65 -2.79 0.00 0.00 177.10 175.90 3dhh h PRO 39 N 8.21 0.44 0.00 0.43 0.11 -1.91 -2.48 132.00 136.80 3dhh h PRO 39 Ca -0.18 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.86 3dhh h PRO 39 Cb 1.06 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3dhh h PRO 39 CO 0.73 0.29 -0.34 0.22 -0.21 0.00 0.00 178.00 178.69 3dhh h ASP 40 N 0.45 0.00 -2.02 -2.05 3.58 -1.98 -3.40 116.42 111.00 3dhh h ASP 40 Ca 0.39 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.46 3dhh h ASP 40 Cb 0.85 0.00 -0.32 0.00 1.72 0.00 0.00 39.33 41.58 3dhh h ASP 40 CO -0.13 0.20 -0.69 -0.94 -2.88 0.00 0.00 179.24 174.80 3dhh s SER 41 N -6.19 1.36 0.26 2.28 1.04 -0.96 -4.75 113.70 106.75 3dhh s SER 41 Ca 0.05 -1.49 -0.09 0.00 0.48 0.00 0.00 55.95 54.90 3dhh s SER 41 Cb 0.06 0.49 0.42 0.00 0.10 0.00 0.00 66.02 67.09 3dhh s SER 41 CO 0.71 -0.28 1.58 -0.65 0.98 0.00 0.00 173.24 175.58 3dhh h PRO 42 N 7.25 0.00 -6.18 4.02 0.11 -1.69 -3.42 132.00 132.09 3dhh h PRO 42 Ca 0.02 -0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.52 3dhh h PRO 42 Cb 1.05 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.08 3dhh h PRO 42 CO 0.23 0.00 -0.58 -1.58 -0.21 0.00 0.00 178.00 175.85 3dhh s TRP 43 N -6.24 3.19 -1.54 0.65 0.52 -1.26 -4.21 118.94 110.05 3dhh s TRP 43 Ca -0.15 0.05 -0.10 0.00 0.02 0.00 0.00 56.10 55.93 3dhh s TRP 43 Cb 0.25 -1.59 -0.03 0.00 -1.15 0.00 0.00 33.47 30.96 3dhh s TRP 43 CO 0.77 0.52 2.71 -1.91 0.02 0.00 0.00 176.95 179.06 3dhh n GLU 44 N 0.18 3.69 -2.22 4.98 4.07 -1.26 -4.73 120.64 125.35 3dhh n GLU 44 Ca -0.08 -2.51 -0.03 0.00 -0.06 0.00 0.00 57.16 54.48 3dhh n GLU 44 Cb 0.53 -2.86 -0.01 0.00 -0.06 0.00 0.00 31.44 29.03 3dhh n GLU 44 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3dhh n LEU 45 N 3.74 0.00 -4.69 4.31 4.77 -1.26 -5.10 117.00 118.77 3dhh n LEU 45 Ca 0.70 -0.47 -0.44 0.00 -0.03 0.00 0.00 56.01 55.77 3dhh n LEU 45 Cb 0.26 0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 3dhh n LEU 45 CO 0.84 -0.09 1.19 -0.24 -1.33 0.00 0.00 177.39 177.76 3dhh n SER 46 N -2.58 3.27 0.34 -1.43 2.88 -1.26 -4.83 113.62 110.01 3dhh n SER 46 Ca 0.01 1.10 0.22 0.00 -1.33 0.00 0.00 58.87 58.87 3dhh n SER 46 Cb 0.09 -1.48 1.16 0.00 -0.75 0.00 0.00 64.21 63.24 3dhh n SER 46 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3dhh h PRO 47 N 5.51 0.00 -0.45 -1.46 0.11 -1.88 -1.09 132.00 132.75 3dhh h PRO 47 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3dhh h PRO 47 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3dhh h PRO 47 CO 0.86 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.40 3dhh n ASP 48 N -3.04 4.82 -4.71 -2.05 8.00 -1.26 -4.51 116.55 113.79 3dhh n ASP 48 Ca -0.03 -2.90 -0.35 0.00 0.71 0.00 0.00 54.79 52.22 3dhh n ASP 48 Cb 0.12 -0.61 0.10 0.00 -0.02 0.00 0.00 41.12 40.71 3dhh n ASP 48 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3dhh s SER 49 N -1.28 4.03 0.23 -2.24 1.04 -0.41 -4.73 113.70 110.34 3dhh s SER 49 Ca 0.48 2.48 -0.06 0.00 0.48 0.00 0.00 55.95 59.33 3dhh s SER 49 Cb 0.37 -2.60 0.41 0.00 0.10 0.00 0.00 66.02 64.30 3dhh s SER 49 CO 0.14 -2.38 1.71 -0.65 0.98 0.00 0.00 173.24 173.04 3dhh h PRO 50 N -0.27 0.34 -0.01 4.02 0.11 -1.95 -1.27 132.00 132.96 3dhh h PRO 50 Ca -0.48 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.42 3dhh h PRO 50 Cb 1.31 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3dhh h PRO 50 CO 0.49 0.22 -0.82 1.98 -0.21 0.00 0.00 178.00 179.66 3dhh h MET 51 N 0.35 0.19 -0.68 1.05 4.05 -1.96 -0.38 114.93 117.54 3dhh h MET 51 Ca 0.38 -0.19 0.07 0.00 -0.28 0.00 0.00 59.70 59.68 3dhh h MET 51 Cb 0.60 0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 31.39 3dhh h MET 51 CO -0.43 0.91 0.37 -0.91 0.23 0.00 0.00 176.91 177.08 3dhh h ASN 52 N 0.11 0.53 -0.50 1.39 2.35 -1.72 -0.12 115.58 117.61 3dhh h ASN 52 Ca -0.03 0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 3dhh h ASN 52 Cb 1.43 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.72 3dhh h ASN 52 CO 0.12 0.33 -0.17 -0.07 -1.65 0.00 0.00 177.43 176.00 3dhh h LEU 53 N 0.66 1.02 -0.23 1.61 3.38 -0.86 0.10 115.31 121.00 3dhh h LEU 53 Ca 0.31 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3dhh h LEU 53 Cb 0.24 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3dhh h LEU 53 CO -0.21 1.16 0.12 -0.25 0.09 0.00 0.00 178.44 179.35 3dhh h TRP 54 N 0.88 0.22 -0.40 1.13 2.91 -0.79 0.11 115.95 120.01 3dhh h TRP 54 Ca 0.12 0.01 -0.09 0.00 1.13 0.00 0.00 58.89 60.07 3dhh h TRP 54 Cb 0.74 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 29.32 3dhh h TRP 54 CO 0.05 0.12 -0.09 1.88 -1.03 0.00 0.00 178.44 179.37 3dhh h TYR 55 N 0.25 0.86 -0.79 2.65 -1.99 -0.86 0.13 116.97 117.21 3dhh h TYR 55 Ca 0.09 -0.18 0.01 0.00 2.00 0.00 0.00 58.73 60.65 3dhh h TYR 55 Cb 0.02 -0.21 -0.04 0.00 2.00 0.00 0.00 36.73 38.50 3dhh h TYR 55 CO -0.09 0.89 0.52 0.87 -0.00 0.00 0.00 178.16 180.36 3dhh h LYS 56 N 0.57 1.02 0.06 4.88 1.57 -0.64 -1.12 116.57 122.91 3dhh h LYS 56 Ca 0.10 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3dhh h LYS 56 Cb 0.62 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3dhh h LYS 56 CO 0.04 0.68 -0.03 0.37 -0.57 0.00 0.00 179.45 179.93 3dhh h GLN 57 N 1.05 -0.08 0.00 3.15 4.15 -0.75 -2.16 115.11 120.47 3dhh h GLN 57 Ca 0.30 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.72 3dhh h GLN 57 Cb -0.09 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.62 3dhh h GLN 57 CO -0.07 0.51 -1.13 0.66 -1.93 0.00 0.00 178.83 176.87 3dhh n TYR 58 N -4.79 0.30 -0.03 3.99 4.01 0.43 -3.85 117.16 117.21 3dhh n TYR 58 Ca -0.08 0.09 -0.04 0.00 -0.16 0.00 0.00 57.90 57.71 3dhh n TYR 58 Cb 0.31 -0.48 -0.01 0.00 -0.31 0.00 0.00 39.34 38.84 3dhh n TYR 58 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3dhh n ARG 59 N -2.05 0.22 -0.34 -0.72 0.63 -0.52 -0.89 116.66 112.99 3dhh n ARG 59 Ca 0.01 0.09 -0.03 0.00 -0.92 0.00 0.00 57.85 57.00 3dhh n ARG 59 Cb 0.46 -0.84 0.09 0.00 0.45 0.00 0.00 32.46 32.63 3dhh n ARG 59 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 3dhh h ASN 60 N -0.42 1.08 -0.44 6.15 4.21 -1.36 -2.10 115.58 122.71 3dhh h ASN 60 Ca 0.00 -0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.46 3dhh h ASN 60 Cb 0.42 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.35 3dhh h ASN 60 CO 0.00 0.81 0.00 0.00 -1.29 0.00 0.00 177.43 176.95 3dhh n ALA 61 N -2.37 2.43 -1.71 -0.83 0.00 -0.81 -4.93 120.51 112.29 3dhh n ALA 61 Ca 0.10 -0.78 -0.42 0.00 0.00 0.00 0.00 53.44 52.34 3dhh n ALA 61 Cb 0.03 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 3dhh n ALA 61 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dhh n SER 62 N 0.80 2.92 0.28 0.00 2.88 -0.79 -4.89 113.62 114.82 3dhh n SER 62 Ca 0.15 1.21 0.14 0.00 -1.33 0.00 0.00 58.87 59.04 3dhh n SER 62 Cb 0.38 -1.50 0.84 0.00 -0.75 0.00 0.00 64.21 63.18 3dhh n SER 62 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3dhh h PRO 63 N 2.63 0.00 -6.51 -1.46 0.11 -1.91 -3.40 132.00 121.45 3dhh h PRO 63 Ca -0.47 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.08 3dhh h PRO 63 Cb 1.28 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.32 3dhh h PRO 63 CO 0.63 0.04 0.92 -1.17 -0.21 0.00 0.00 178.00 178.20 3dhh s LEU 64 N -7.68 3.76 0.03 2.35 2.96 -1.26 -4.91 118.68 113.93 3dhh s LEU 64 Ca -0.04 0.79 0.06 0.00 -0.22 0.00 0.00 54.13 54.72 3dhh s LEU 64 Cb 0.15 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.27 3dhh s LEU 64 CO 0.57 -1.12 -0.17 -0.54 -1.32 0.00 0.00 176.35 173.76 3dhh s LYS 65 N 4.19 1.19 -0.23 1.98 1.02 -1.26 -4.97 119.74 121.66 3dhh s LYS 65 Ca 0.49 -0.79 -0.24 0.00 0.02 0.00 0.00 55.97 55.45 3dhh s LYS 65 Cb -0.11 -1.23 0.07 0.00 -0.52 0.00 0.00 37.83 36.04 3dhh s LYS 65 CO 0.25 0.32 0.68 -1.58 -0.92 0.00 0.00 175.35 174.09 3dhh s HIS 66 N -0.72 -0.73 -1.06 3.18 2.46 -1.26 -4.79 115.29 112.37 3dhh s HIS 66 Ca 0.05 1.73 0.28 0.00 0.47 0.00 0.00 55.06 57.59 3dhh s HIS 66 Cb -0.08 0.27 1.15 0.00 -0.13 0.00 0.00 32.58 33.79 3dhh s HIS 66 CO 0.01 -0.39 1.86 -0.40 -2.47 0.00 0.00 174.74 173.35 3dhh n ASP 67 N 2.50 0.09 -2.96 9.88 5.68 -1.26 -4.28 116.55 126.20 3dhh n ASP 67 Ca -0.15 0.30 -0.15 0.00 -0.50 0.00 0.00 54.79 54.29 3dhh n ASP 67 Cb 0.55 -0.35 0.01 0.00 -1.14 0.00 0.00 41.12 40.19 3dhh n ASP 67 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3dhh n ASN 68 N -1.46 -1.16 0.11 -1.12 2.85 -1.26 -4.96 115.26 108.26 3dhh n ASN 68 Ca 0.08 -3.16 0.16 0.00 -0.11 0.00 0.00 54.58 51.55 3dhh n ASN 68 Cb 0.33 0.66 0.69 0.00 1.24 0.00 0.00 39.78 42.70 3dhh n ASN 68 CO 0.00 0.00 0.00 -0.50 -2.11 0.00 0.00 177.26 174.65 3dhh h TRP 69 N 3.58 0.00 0.00 1.20 4.06 -1.89 -2.54 115.95 120.36 3dhh h TRP 69 Ca -0.03 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.92 3dhh h TRP 69 Cb 0.99 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.15 3dhh h TRP 69 CO 0.27 0.00 -0.02 -0.44 -3.56 0.00 0.00 178.44 174.69 3dhh h ASP 70 N 0.00 0.00 0.85 -3.49 3.32 -1.93 -1.61 116.42 113.57 3dhh h ASP 70 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3dhh h ASP 70 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3dhh h ASP 70 CO -0.00 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 177.54 3dhh n ALA 71 N -2.14 1.85 -1.71 3.45 0.00 -0.96 -4.72 120.51 116.28 3dhh n ALA 71 Ca -0.02 0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3dhh n ALA 71 Cb 0.15 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.23 3dhh n ALA 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dhh n PHE 72 N -2.00 2.34 -4.27 0.00 7.35 -0.61 -5.00 117.46 115.27 3dhh n PHE 72 Ca 0.04 0.52 -0.25 0.00 -0.76 0.00 0.00 57.45 56.99 3dhh n PHE 72 Cb 0.27 -2.42 -0.17 0.00 0.35 0.00 0.00 39.48 37.51 3dhh n PHE 72 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 3dhh s THR 73 N -1.14 1.08 -0.03 -2.13 2.01 -1.26 -4.80 115.64 109.36 3dhh s THR 73 Ca 0.57 -0.39 -0.33 0.00 0.31 0.00 0.00 61.69 61.86 3dhh s THR 73 Cb -0.53 -1.03 -0.11 0.00 0.01 0.00 0.00 72.50 70.84 3dhh s THR 73 CO 0.61 0.36 1.91 -0.67 -0.69 0.00 0.00 174.62 176.14 3dhh n ASP 74 N 4.31 3.73 0.27 3.53 4.64 -1.26 -4.86 116.55 126.92 3dhh n ASP 74 Ca -0.19 0.95 0.13 0.00 -1.38 0.00 0.00 54.79 54.30 3dhh n ASP 74 Cb 0.51 -1.43 0.81 0.00 -1.04 0.00 0.00 41.12 39.96 3dhh n ASP 74 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3dhh h PRO 75 N 9.68 0.00 0.00 -0.67 0.13 -1.93 0.03 132.00 139.25 3dhh h PRO 75 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3dhh h PRO 75 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3dhh h PRO 75 CO 0.94 0.00 -0.31 -0.25 -0.23 0.00 0.00 178.00 178.15 3dhh n ASP 76 N -4.09 0.63 -4.11 1.44 8.00 -1.26 -4.96 116.55 112.20 3dhh n ASP 76 Ca -0.02 0.29 -0.34 0.00 0.71 0.00 0.00 54.79 55.43 3dhh n ASP 76 Cb 0.12 -0.25 -0.01 0.00 -0.02 0.00 0.00 41.12 40.96 3dhh n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dhh n GLN 77 N -2.02 -3.90 -2.57 -1.24 6.02 -0.01 -4.91 117.38 108.76 3dhh n GLN 77 Ca 0.05 0.44 -0.38 0.00 -0.01 0.00 0.00 57.00 57.10 3dhh n GLN 77 Cb 0.41 -5.19 -0.05 0.00 1.02 0.00 0.00 30.24 26.44 3dhh n GLN 77 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3dhh s LEU 78 N -7.25 4.37 0.43 1.08 1.43 -1.26 -4.76 118.68 112.72 3dhh s LEU 78 Ca 0.67 2.09 0.05 0.00 -1.03 0.00 0.00 54.13 55.91 3dhh s LEU 78 Cb -0.36 -3.90 -0.06 0.00 0.03 0.00 0.00 46.19 41.91 3dhh s LEU 78 CO 0.90 -0.24 0.02 0.68 0.23 0.00 0.00 176.35 177.94 3dhh s VAL 79 N -1.42 1.60 0.17 -1.59 -7.23 -1.26 -4.98 120.40 105.68 3dhh s VAL 79 Ca 0.50 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.52 3dhh s VAL 79 Cb -0.26 -2.71 0.05 0.00 0.56 0.00 0.00 36.38 34.03 3dhh s VAL 79 CO 0.32 0.00 1.74 0.22 -0.31 0.00 0.00 175.10 177.07 3dhh h TYR 80 N 1.69 0.20 -0.35 2.82 5.03 -1.99 -0.38 116.97 124.00 3dhh h TYR 80 Ca -0.43 0.02 0.04 0.00 2.58 0.00 0.00 58.73 60.94 3dhh h TYR 80 Cb 1.26 -0.03 -0.04 0.00 1.55 0.00 0.00 36.73 39.47 3dhh h TYR 80 CO 0.98 0.06 0.11 -0.09 -1.32 0.00 0.00 178.16 177.89 3dhh h ARG 81 N 0.26 0.24 -0.00 1.82 2.43 -2.00 -1.78 114.38 115.35 3dhh h ARG 81 Ca 0.19 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.17 3dhh h ARG 81 Cb 0.20 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3dhh h ARG 81 CO -0.22 0.16 -0.82 1.79 -1.51 0.00 0.00 179.97 179.37 3dhh h THR 82 N 0.25 1.53 -0.18 0.20 1.35 -1.89 -2.24 112.91 111.92 3dhh h THR 82 Ca 0.16 -2.63 0.03 0.00 -0.55 0.00 0.00 66.41 63.42 3dhh h THR 82 Cb 0.15 2.44 -0.03 0.00 -1.73 0.00 0.00 68.15 68.98 3dhh h THR 82 CO -0.18 0.76 -0.02 0.22 -0.25 0.00 0.00 175.52 176.05 3dhh h TYR 83 N 0.06 -0.05 -0.26 4.73 5.03 -0.86 -1.07 116.97 124.54 3dhh h TYR 83 Ca -0.02 0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.21 3dhh h TYR 83 Cb 1.43 0.05 -0.01 0.00 1.55 0.00 0.00 36.73 39.75 3dhh h TYR 83 CO 0.01 -0.05 -0.22 -0.91 -1.32 0.00 0.00 178.16 175.67 3dhh h ASN 84 N 0.03 0.48 -0.24 -2.11 -0.26 -1.20 0.70 115.58 112.98 3dhh h ASN 84 Ca 0.08 -0.15 -0.01 0.00 -0.56 0.00 0.00 56.30 55.66 3dhh h ASN 84 Cb 0.12 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.24 3dhh h ASN 84 CO -0.16 0.71 0.12 -0.07 -1.06 0.00 0.00 177.43 176.97 3dhh h LEU 85 N 0.43 0.31 -0.11 1.61 3.38 -1.26 0.23 115.31 119.90 3dhh h LEU 85 Ca 0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3dhh h LEU 85 Cb 0.63 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3dhh h LEU 85 CO 0.04 0.33 0.03 -0.03 0.09 0.00 0.00 178.44 178.91 3dhh h MET 86 N 0.26 0.17 -0.01 1.13 4.05 -0.78 -2.78 114.93 116.97 3dhh h MET 86 Ca 0.08 -0.04 -0.17 0.00 -0.28 0.00 0.00 59.70 59.30 3dhh h MET 86 Cb 0.10 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 3dhh h MET 86 CO -0.01 0.31 -0.78 1.96 0.23 0.00 0.00 176.91 178.62 3dhh h GLN 87 N -0.01 0.12 -0.89 0.39 1.08 -0.81 -2.03 115.11 112.95 3dhh h GLN 87 Ca 0.03 -0.12 0.04 0.00 -1.45 0.00 0.00 58.65 57.15 3dhh h GLN 87 Cb 0.21 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.62 3dhh h GLN 87 CO -0.00 0.84 0.57 0.22 -0.95 0.00 0.00 178.83 179.51 3dhh h ASP 88 N 0.08 0.95 -0.33 1.46 3.58 -0.54 0.29 116.42 121.92 3dhh h ASP 88 Ca -0.02 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.42 3dhh h ASP 88 Cb 1.36 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 42.18 3dhh h ASP 88 CO 0.11 0.65 0.21 1.23 -2.88 0.00 0.00 179.24 178.56 3dhh h GLY 89 N 1.11 0.47 0.95 -0.78 0.00 -1.17 0.63 103.07 104.27 3dhh h GLY 89 Ca 0.36 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.43 3dhh h GLY 89 CO -0.12 0.18 -0.04 1.46 0.00 0.00 0.00 176.54 178.02 3dhh h GLN 90 N 0.43 0.71 -0.32 4.80 1.08 -1.04 -2.08 115.11 118.69 3dhh h GLN 90 Ca 0.12 -0.25 -0.15 0.00 -1.45 0.00 0.00 58.65 56.92 3dhh h GLN 90 Cb -0.01 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 3dhh h GLN 90 CO -0.02 0.82 -0.40 0.93 -0.95 0.00 0.00 178.83 179.21 3dhh h GLU 91 N 0.52 0.78 -0.37 1.46 4.39 -0.35 -1.25 114.58 119.76 3dhh h GLU 91 Ca 0.10 -0.41 0.05 0.00 0.34 0.00 0.00 59.36 59.44 3dhh h GLU 91 Cb 0.53 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.15 3dhh h GLU 91 CO 0.03 1.04 0.10 1.03 -1.16 0.00 0.00 179.01 180.05 3dhh h SER 92 N 0.64 0.07 -0.17 1.42 0.87 -0.85 0.18 113.55 115.71 3dhh h SER 92 Ca 0.05 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.70 3dhh h SER 92 Cb 0.96 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.94 3dhh h SER 92 CO 0.09 0.07 -0.04 0.22 -0.53 0.00 0.00 176.83 176.65 3dhh h TYR 93 N 0.24 -0.08 -0.59 2.24 3.20 -1.22 0.09 116.97 120.85 3dhh h TYR 93 Ca 0.17 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 3dhh h TYR 93 Cb 0.18 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 3dhh h TYR 93 CO -0.17 -0.07 0.34 0.28 -1.64 0.00 0.00 178.16 176.90 3dhh h VAL 94 N 0.01 1.19 -0.63 1.81 2.07 -0.84 -0.65 116.25 119.21 3dhh h VAL 94 Ca 0.08 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 3dhh h VAL 94 Cb 0.12 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3dhh h VAL 94 CO -0.17 0.20 0.21 0.06 0.02 0.00 0.00 177.57 177.89 3dhh h GLN 95 N 0.80 0.95 -0.53 1.57 -0.00 -0.49 0.34 115.11 117.76 3dhh h GLN 95 Ca 0.21 -0.18 -0.07 0.00 -0.00 0.00 0.00 58.65 58.61 3dhh h GLN 95 Cb 0.02 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.48 27.33 3dhh h GLN 95 CO -0.04 0.81 0.04 0.77 -0.00 0.00 0.00 178.83 180.41 3dhh h SER 96 N 0.93 0.83 0.06 0.06 0.02 -0.54 -0.35 113.55 114.56 3dhh h SER 96 Ca 0.21 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3dhh h SER 96 Cb 0.25 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3dhh h SER 96 CO -0.01 0.87 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.45 3dhh h LEU 97 N 0.81 -0.06 -0.46 5.07 3.38 -0.51 -1.97 115.31 121.57 3dhh h LEU 97 Ca 0.16 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 58.00 3dhh h LEU 97 Cb 0.44 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 3dhh h LEU 97 CO 0.02 0.18 0.03 -0.26 0.09 0.00 0.00 178.44 178.49 3dhh h PHE 98 N -0.31 0.03 0.24 1.13 0.05 -0.73 0.18 116.94 117.54 3dhh h PHE 98 Ca -0.01 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.81 3dhh h PHE 98 Cb 0.27 0.06 -0.00 0.00 2.00 0.00 0.00 35.95 38.27 3dhh h PHE 98 CO 0.00 -0.07 -0.15 0.22 -0.18 0.00 0.00 178.31 178.14 3dhh h ASP 99 N 0.15 -0.37 -0.43 2.17 3.58 -1.01 -1.67 116.42 118.84 3dhh h ASP 99 Ca 0.23 0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.63 3dhh h ASP 99 Cb 0.33 0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 3dhh h ASP 99 CO -0.35 -0.24 -0.00 -0.61 -2.88 0.00 0.00 179.24 175.15 3dhh h GLN 100 N -0.38 0.76 -0.32 0.28 5.75 -1.17 -1.57 115.11 118.47 3dhh h GLN 100 Ca -0.02 -0.25 -0.08 0.00 -0.15 0.00 0.00 58.65 58.15 3dhh h GLN 100 Cb 0.31 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 3dhh h GLN 100 CO 0.02 0.84 -0.13 0.74 -2.65 0.00 0.00 178.83 177.65 3dhh h PHE 101 N 0.60 0.60 -0.57 3.99 0.04 -0.97 -1.49 116.94 119.14 3dhh h PHE 101 Ca 0.12 -0.10 -0.08 0.00 2.80 0.00 0.00 57.97 60.72 3dhh h PHE 101 Cb 0.49 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 3dhh h PHE 101 CO 0.04 0.66 0.06 -0.97 -0.60 0.00 0.00 178.31 177.50 3dhh h ASN 102 N 0.51 0.94 -0.84 2.17 -1.24 -1.17 -0.92 115.58 115.02 3dhh h ASN 102 Ca 0.09 -0.28 0.02 0.00 0.71 0.00 0.00 56.30 56.84 3dhh h ASN 102 Cb 0.53 -0.25 -0.05 0.00 0.73 0.00 0.00 38.32 39.28 3dhh h ASN 102 CO 0.03 0.98 0.55 -0.33 -1.29 0.00 0.00 177.43 177.37 3dhh h GLU 103 N 0.86 1.07 0.00 6.67 4.39 -0.70 -1.61 114.58 125.25 3dhh h GLU 103 Ca 0.17 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3dhh h GLU 103 Cb 0.46 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3dhh h GLU 103 CO 0.02 0.71 0.00 0.54 -1.16 0.00 0.00 179.01 179.11 3dhh n ARG 104 N -4.53 0.78 -3.65 2.33 1.74 -0.62 -4.90 116.66 107.82 3dhh n ARG 104 Ca 0.09 0.01 -0.23 0.00 -0.77 0.00 0.00 57.85 56.95 3dhh n ARG 104 Cb 0.04 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.05 3dhh n ARG 104 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3dhh n GLU 105 N -1.06 -6.51 -0.26 5.56 1.02 -0.61 -4.88 120.64 113.91 3dhh n GLU 105 Ca 0.19 0.74 0.06 0.00 -0.02 0.00 0.00 57.16 58.13 3dhh n GLU 105 Cb 0.12 -5.66 0.19 0.00 -0.02 0.00 0.00 31.44 26.08 3dhh n GLU 105 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3dhh h HIS 106 N -2.22 0.42 -0.28 -0.32 -0.00 -1.43 -2.61 115.15 108.72 3dhh h HIS 106 Ca -0.59 0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 59.78 3dhh h HIS 106 Cb 1.36 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 28.69 3dhh h HIS 106 CO 0.50 -0.01 -0.01 -0.44 -0.00 0.00 0.00 177.93 177.96 3dhh h ASP 107 N 0.36 0.40 -0.01 3.26 3.45 -1.90 -2.02 116.42 119.97 3dhh h ASP 107 Ca 0.43 -0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.82 3dhh h ASP 107 Cb 0.70 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 39.36 3dhh h ASP 107 CO -0.46 0.47 0.01 1.56 -1.57 0.00 0.00 179.24 179.25 3dhh h GLN 108 N 0.41 0.00 -0.37 3.56 4.20 -1.84 -3.12 115.11 117.95 3dhh h GLN 108 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3dhh h GLN 108 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3dhh h GLN 108 CO 0.01 0.00 0.00 -1.33 -0.67 0.00 0.00 178.83 176.84 3dhh n MET 109 N -4.02 2.49 -1.38 1.46 2.81 -0.76 -4.96 117.12 112.75 3dhh n MET 109 Ca -0.03 -2.27 -0.31 0.00 -1.81 0.00 0.00 57.70 53.28 3dhh n MET 109 Cb 0.09 -1.51 0.09 0.00 -0.71 0.00 0.00 33.22 31.18 3dhh n MET 109 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3dhh s VAL 110 N -1.48 3.41 0.54 2.03 -7.23 -1.18 -4.89 120.40 111.60 3dhh s VAL 110 Ca 0.38 0.46 -0.22 0.00 -1.81 0.00 0.00 61.98 60.79 3dhh s VAL 110 Cb 0.22 -3.05 -0.05 0.00 0.56 0.00 0.00 36.38 34.06 3dhh s VAL 110 CO 0.31 -0.60 1.35 -0.60 -0.31 0.00 0.00 175.10 175.25 3dhh s ARG 111 N -4.98 3.16 0.11 4.82 3.52 0.12 -4.87 118.95 120.82 3dhh s ARG 111 Ca 0.60 2.21 -0.35 0.00 -0.13 0.00 0.00 55.73 58.06 3dhh s ARG 111 Cb -0.16 -2.26 -0.17 0.00 -1.56 0.00 0.00 34.95 30.80 3dhh s ARG 111 CO 0.56 -1.17 1.14 -1.91 -0.81 0.00 0.00 175.30 173.11 3dhh n GLU 112 N -1.02 0.79 -0.10 5.12 4.07 -1.26 -1.90 120.64 126.34 3dhh n GLU 112 Ca 0.10 0.28 0.00 0.00 -0.06 0.00 0.00 57.16 57.49 3dhh n GLU 112 Cb 0.45 -1.79 0.00 0.00 -0.06 0.00 0.00 31.44 30.05 3dhh n GLU 112 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3dhh n GLY 113 N 2.05 1.83 0.26 8.31 0.00 -1.26 -4.92 105.19 111.45 3dhh n GLY 113 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 3dhh n GLY 113 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3dhh h TRP 114 N 0.00 0.30 -0.49 1.61 2.91 -1.73 -1.24 115.95 117.31 3dhh h TRP 114 Ca 0.00 -0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.04 3dhh h TRP 114 Cb 0.00 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 28.53 3dhh h TRP 114 CO 0.00 0.35 0.33 1.05 -1.03 0.00 0.00 178.44 179.14 3dhh h GLU 115 N 0.28 0.49 -0.20 2.65 9.09 -1.91 0.21 114.58 125.19 3dhh h GLU 115 Ca 0.06 -0.03 -0.19 0.00 0.05 0.00 0.00 59.36 59.26 3dhh h GLU 115 Cb 0.27 -0.11 0.01 0.00 -1.65 0.00 0.00 28.75 27.26 3dhh h GLU 115 CO 0.01 0.33 -0.60 0.45 0.05 0.00 0.00 179.01 179.24 3dhh h HIS 116 N 0.51 1.00 -0.89 2.06 3.86 -1.60 -0.87 115.15 119.22 3dhh h HIS 116 Ca 0.20 -0.40 -0.01 0.00 -1.16 0.00 0.00 60.37 59.00 3dhh h HIS 116 Cb 0.18 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 3dhh h HIS 116 CO -0.00 1.21 0.51 1.15 0.86 0.00 0.00 177.93 181.66 3dhh h THR 117 N 0.50 1.25 -0.09 2.45 2.02 -1.28 -2.24 112.91 115.52 3dhh h THR 117 Ca -0.02 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 3dhh h THR 117 Cb 1.22 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3dhh h THR 117 CO 0.13 0.28 0.05 0.24 0.37 0.00 0.00 175.52 176.59 3dhh h MET 118 N 1.23 0.12 -0.38 6.66 2.86 -0.91 0.96 114.93 125.48 3dhh h MET 118 Ca 0.31 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 58.04 3dhh h MET 118 Cb -0.00 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 3dhh h MET 118 CO -0.05 0.14 0.27 0.00 1.06 0.00 0.00 176.91 178.32 3dhh h ALA 119 N 0.98 2.24 0.07 6.32 0.00 -0.91 -0.56 119.26 127.40 3dhh h ALA 119 Ca 0.03 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.56 3dhh h ALA 119 Cb 0.05 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3dhh h ALA 119 CO -0.01 -0.34 -2.19 -2.13 0.00 0.00 0.00 179.25 174.59 3dhh n ARG 120 N -4.45 0.71 -0.00 0.00 0.63 -0.87 -4.46 116.66 108.22 3dhh n ARG 120 Ca 0.06 0.21 0.06 0.00 -0.92 0.00 0.00 57.85 57.26 3dhh n ARG 120 Cb 0.39 -1.63 -0.08 0.00 0.45 0.00 0.00 32.46 31.59 3dhh n ARG 120 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3dhh n TYR 122 N -1.53 0.00 0.10 0.00 4.19 -0.31 -4.73 117.16 114.87 3dhh n TYR 122 Ca 0.01 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.22 3dhh n TYR 122 Cb 0.25 -0.18 0.31 0.00 0.49 0.00 0.00 39.34 40.21 3dhh n TYR 122 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 3dhh h SER 123 N -0.22 0.26 0.38 2.98 4.64 -1.52 -1.43 113.55 118.64 3dhh h SER 123 Ca -0.10 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3dhh h SER 123 Cb 0.79 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3dhh h SER 123 CO -0.06 0.50 0.00 -2.65 -0.87 0.00 0.00 176.83 173.76 3dhh n PRO 124 N -4.18 0.04 0.31 4.77 -0.02 -1.26 -2.83 135.00 131.82 3dhh n PRO 124 Ca -0.01 0.26 0.19 0.00 -2.02 0.00 0.00 63.50 61.92 3dhh n PRO 124 Cb 0.35 -1.50 0.97 0.00 -0.02 0.00 0.00 33.50 33.30 3dhh n PRO 124 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3dhh h LEU 125 N 0.00 0.00 -1.65 2.45 3.38 -1.54 -1.75 115.31 116.20 3dhh h LEU 125 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3dhh h LEU 125 Cb 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3dhh h LEU 125 CO 0.00 0.00 0.37 0.08 0.09 0.00 0.00 178.44 178.98 3dhh h ARG 126 N 0.00 0.40 -0.13 1.13 0.11 -1.73 0.20 114.38 114.36 3dhh h ARG 126 Ca 0.02 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 3dhh h ARG 126 Cb 0.40 -0.09 -0.00 0.00 1.11 0.00 0.00 29.97 31.38 3dhh h ARG 126 CO -0.00 0.27 -0.05 1.88 0.10 0.00 0.00 179.97 182.17 3dhh h TYR 127 N 0.41 0.29 -0.35 4.08 0.05 -1.59 -1.51 116.97 118.35 3dhh h TYR 127 Ca 0.25 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.94 3dhh h TYR 127 Cb 0.45 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.11 3dhh h TYR 127 CO -0.00 0.57 0.14 1.25 -1.05 0.00 0.00 178.16 179.07 3dhh h LEU 128 N -0.08 0.49 -0.91 3.88 5.85 -1.43 -1.54 115.31 121.58 3dhh h LEU 128 Ca 0.03 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 3dhh h LEU 128 Cb 0.49 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3dhh h LEU 128 CO 0.02 0.53 0.32 -0.26 -0.34 0.00 0.00 178.44 178.71 3dhh h PHE 129 N 0.43 1.13 -0.28 1.25 0.05 -0.68 -1.63 116.94 117.20 3dhh h PHE 129 Ca 0.12 -0.07 -0.08 0.00 3.82 0.00 0.00 57.97 61.75 3dhh h PHE 129 Cb 0.19 -0.34 -0.02 0.00 2.00 0.00 0.00 35.95 37.79 3dhh h PHE 129 CO -0.00 0.84 -0.18 1.25 -0.18 0.00 0.00 178.31 180.04 3dhh h HIS 130 N 1.09 0.56 -0.87 -0.55 2.76 -1.06 -0.85 115.15 116.23 3dhh h HIS 130 Ca 0.26 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3dhh h HIS 130 Cb 0.18 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 28.95 3dhh h HIS 130 CO 0.02 0.66 0.50 0.00 -1.30 0.00 0.00 177.93 177.81 3dhh h LEU 132 N 1.20 0.95 0.27 0.00 3.38 -0.72 -0.04 115.31 120.34 3dhh h LEU 132 Ca 0.31 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3dhh h LEU 132 Cb -0.01 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3dhh h LEU 132 CO -0.05 0.89 -0.13 -0.61 0.09 0.00 0.00 178.44 178.63 3dhh h GLN 133 N 0.97 -0.34 -0.60 1.13 4.15 -0.66 0.11 115.11 119.87 3dhh h GLN 133 Ca 0.21 0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.67 3dhh h GLN 133 Cb 0.30 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 3dhh h GLN 133 CO -0.01 -0.19 0.39 0.52 -1.93 0.00 0.00 178.83 177.62 3dhh h MET 134 N -0.41 0.77 -0.37 1.69 2.86 -0.77 -1.78 114.93 116.92 3dhh h MET 134 Ca -0.04 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.47 3dhh h MET 134 Cb 0.31 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3dhh h MET 134 CO 0.06 0.51 -0.09 1.03 1.06 0.00 0.00 176.91 179.48 3dhh h SER 135 N 0.80 0.72 -1.00 1.22 0.87 -0.92 -1.89 113.55 113.35 3dhh h SER 135 Ca 0.22 -0.37 0.08 0.00 -1.23 0.00 0.00 61.79 60.49 3dhh h SER 135 Cb -0.07 -0.20 -0.07 0.00 -0.44 0.00 0.00 62.40 61.62 3dhh h SER 135 CO -0.06 0.92 0.64 0.28 -0.53 0.00 0.00 176.83 178.09 3dhh h SER 136 N 0.52 1.01 -0.76 6.23 0.02 -0.60 -1.79 113.55 118.17 3dhh h SER 136 Ca 0.09 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 3dhh h SER 136 Cb 0.61 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 3dhh h SER 136 CO 0.04 0.63 0.34 0.00 -1.14 0.00 0.00 176.83 176.70 3dhh h ALA 137 N 1.47 1.15 -0.25 3.77 0.00 -1.09 -0.91 119.26 123.40 3dhh h ALA 137 Ca 0.44 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3dhh h ALA 137 Cb 0.23 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3dhh h ALA 137 CO -0.19 0.63 0.07 -0.92 0.00 0.00 0.00 179.25 178.83 3dhh h TYR 138 N 1.11 0.41 -0.72 0.00 5.03 -0.66 -2.27 116.97 119.87 3dhh h TYR 138 Ca 0.26 -0.05 -0.03 0.00 2.58 0.00 0.00 58.73 61.50 3dhh h TYR 138 Cb 0.15 -0.12 -0.03 0.00 1.55 0.00 0.00 36.73 38.28 3dhh h TYR 138 CO 0.02 0.47 0.34 0.28 -1.32 0.00 0.00 178.16 177.95 3dhh h VAL 139 N 0.23 1.24 -0.60 1.81 2.07 -1.15 -2.38 116.25 117.47 3dhh h VAL 139 Ca 0.08 -0.68 0.10 0.00 0.82 0.00 0.00 66.70 67.02 3dhh h VAL 139 Cb 0.27 0.35 -0.11 0.00 -1.52 0.00 0.00 31.29 30.27 3dhh h VAL 139 CO -0.00 0.28 -0.35 -0.61 0.02 0.00 0.00 177.57 176.92 3dhh h GLN 140 N 1.01 -0.16 0.00 1.57 -0.00 -1.03 -0.00 115.11 116.50 3dhh h GLN 140 Ca 0.25 0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.87 3dhh h GLN 140 Cb 0.13 0.04 -0.00 0.00 0.00 0.00 0.00 27.48 27.64 3dhh h GLN 140 CO -0.03 -0.11 -0.17 -0.56 0.00 0.00 0.00 178.83 177.97 3dhh h GLN 141 N -0.16 0.00 0.00 1.69 3.07 -1.06 -3.24 115.11 115.40 3dhh h GLN 141 Ca 0.23 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.89 3dhh h GLN 141 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.10 3dhh h GLN 141 CO -0.69 0.17 -1.90 -1.33 0.09 0.00 0.00 178.83 175.17 3dhh n MET 142 N -3.24 0.66 -1.81 0.06 2.81 -0.93 -5.02 117.12 109.65 3dhh n MET 142 Ca 0.01 -0.09 -0.41 0.00 -1.81 0.00 0.00 57.70 55.41 3dhh n MET 142 Cb 0.46 -1.58 0.01 0.00 -0.71 0.00 0.00 33.22 31.39 3dhh n MET 142 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3dhh s ALA 143 N -3.27 3.44 -1.70 3.04 0.00 -0.04 -4.80 121.76 118.44 3dhh s ALA 143 Ca -0.07 1.53 0.05 0.00 0.00 0.00 0.00 51.96 53.47 3dhh s ALA 143 Cb 0.12 -3.60 0.18 0.00 0.00 0.00 0.00 23.12 19.81 3dhh s ALA 143 CO 0.87 -1.11 1.06 -0.35 0.00 0.00 0.00 175.76 176.23 3dhh n PRO 144 N 0.21 1.58 -3.85 0.00 -0.04 -1.26 -4.76 135.00 126.88 3dhh n PRO 144 Ca 0.03 -0.71 -0.12 0.00 -0.04 0.00 0.00 63.50 62.66 3dhh n PRO 144 Cb 0.40 -1.29 -0.12 0.00 -0.04 0.00 0.00 33.50 32.46 3dhh n PRO 144 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dhh s ALA 145 N -1.67 -0.32 0.33 0.55 0.00 -1.26 -4.68 121.76 114.71 3dhh s ALA 145 Ca 0.13 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.28 3dhh s ALA 145 Cb 0.08 -0.09 0.58 0.00 0.00 0.00 0.00 23.12 23.68 3dhh s ALA 145 CO 0.07 -0.12 1.88 0.66 0.00 0.00 0.00 175.76 178.25 3dhh h SER 146 N 5.28 0.55 -0.13 0.00 4.64 -1.86 -0.95 113.55 121.08 3dhh h SER 146 Ca -0.27 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 3dhh h SER 146 Cb 1.20 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 3dhh h SER 146 CO 0.41 0.59 0.00 0.71 -0.87 0.00 0.00 176.83 177.67 3dhh h THR 147 N 0.57 1.15 0.03 2.95 1.35 -1.87 0.13 112.91 117.22 3dhh h THR 147 Ca 0.13 -0.57 -0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3dhh h THR 147 Cb 0.29 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 3dhh h THR 147 CO 0.00 0.19 -0.02 0.40 -0.25 0.00 0.00 175.52 175.85 3dhh h ILE 148 N 0.34 1.36 -0.98 6.82 2.04 -1.73 -3.19 117.51 122.17 3dhh h ILE 148 Ca 0.08 -1.34 0.13 0.00 1.00 0.00 0.00 64.86 64.74 3dhh h ILE 148 Cb 0.23 2.24 -0.08 0.00 -0.74 0.00 0.00 36.82 38.46 3dhh h ILE 148 CO 0.01 0.33 0.62 0.28 0.00 0.00 0.00 178.15 179.39 3dhh h SER 149 N -0.64 0.84 -0.73 1.72 0.02 -0.88 -2.08 113.55 111.80 3dhh h SER 149 Ca -0.00 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3dhh h SER 149 Cb 0.58 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 3dhh h SER 149 CO 0.01 0.43 0.38 0.78 -1.14 0.00 0.00 176.83 177.28 3dhh h ASN 150 N 0.89 0.93 -0.79 3.07 -0.26 -0.81 0.39 115.58 119.01 3dhh h ASN 150 Ca 0.50 -0.11 0.08 0.00 -0.56 0.00 0.00 56.30 56.20 3dhh h ASN 150 Cb 0.60 -0.24 -0.07 0.00 -1.06 0.00 0.00 38.32 37.55 3dhh h ASN 150 CO -0.26 0.78 0.45 0.00 -1.06 0.00 0.00 177.43 177.33 3dhh h ILE 153 N 0.85 1.01 -0.47 0.00 2.04 -0.73 0.15 117.51 120.35 3dhh h ILE 153 Ca 0.13 -0.03 -0.08 0.00 1.00 0.00 0.00 64.86 65.89 3dhh h ILE 153 Cb 0.66 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3dhh h ILE 153 CO 0.05 0.01 -0.02 -0.07 0.00 0.00 0.00 178.15 178.12 3dhh h LEU 154 N 0.08 0.77 -0.90 1.44 3.38 -1.38 -0.87 115.31 117.83 3dhh h LEU 154 Ca 0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3dhh h LEU 154 Cb -0.01 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3dhh h LEU 154 CO -0.01 0.85 0.38 -0.61 0.09 0.00 0.00 178.44 179.14 3dhh h GLN 155 N 0.74 1.17 -0.10 1.13 4.15 -0.91 0.36 115.11 121.65 3dhh h GLN 155 Ca 0.14 -0.18 0.01 0.00 0.77 0.00 0.00 58.65 59.40 3dhh h GLN 155 Cb 0.48 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 3dhh h GLN 155 CO 0.02 0.91 0.02 1.15 -1.93 0.00 0.00 178.83 179.00 3dhh h THR 156 N 1.16 0.96 -0.80 2.39 2.02 0.07 -1.52 112.91 117.20 3dhh h THR 156 Ca 0.28 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.47 3dhh h THR 156 Cb 0.13 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 3dhh h THR 156 CO -0.03 0.01 0.50 0.00 0.37 0.00 0.00 175.52 176.37 3dhh h ALA 157 N 1.07 1.06 -0.81 6.16 0.00 -0.93 -2.06 119.26 123.76 3dhh h ALA 157 Ca 0.04 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3dhh h ALA 157 Cb 0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3dhh h ALA 157 CO -0.05 0.29 0.53 -0.44 0.00 0.00 0.00 179.25 179.58 3dhh h ASP 158 N 0.96 0.92 -0.41 0.00 3.45 -0.58 0.39 116.42 121.15 3dhh h ASP 158 Ca 0.33 -0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.70 3dhh h ASP 158 Cb 0.06 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.58 3dhh h ASP 158 CO -0.13 0.67 0.02 0.28 -1.57 0.00 0.00 179.24 178.51 3dhh h SER 159 N 1.09 0.70 -0.66 6.45 0.02 -0.72 -1.11 113.55 119.32 3dhh h SER 159 Ca 0.30 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3dhh h SER 159 Cb -0.12 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.20 3dhh h SER 159 CO -0.07 0.82 0.36 0.25 -1.14 0.00 0.00 176.83 177.06 3dhh h LEU 160 N 0.56 0.84 -0.29 5.07 5.85 -1.13 -0.61 115.31 125.59 3dhh h LEU 160 Ca 0.12 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.81 3dhh h LEU 160 Cb 0.45 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3dhh h LEU 160 CO 0.02 0.69 0.07 -0.09 -0.34 0.00 0.00 178.44 178.78 3dhh h ARG 161 N 0.95 0.18 -0.56 1.25 2.43 -0.21 0.05 114.38 118.46 3dhh h ARG 161 Ca 0.24 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.30 3dhh h ARG 161 Cb 0.04 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3dhh h ARG 161 CO -0.04 0.12 -0.02 -1.49 -1.51 0.00 0.00 179.97 177.03 3dhh h TRP 162 N 0.18 1.10 -0.81 2.20 6.55 -0.88 -0.78 115.95 123.51 3dhh h TRP 162 Ca 0.13 -0.20 0.07 0.00 0.95 0.00 0.00 58.89 59.84 3dhh h TRP 162 Cb 0.13 -0.28 -0.06 0.00 -0.86 0.00 0.00 29.16 28.08 3dhh h TRP 162 CO -0.16 0.99 0.49 1.25 -1.05 0.00 0.00 178.44 179.96 3dhh h LEU 163 N 0.89 0.74 -0.32 -4.49 5.85 -0.84 -1.84 115.31 115.30 3dhh h LEU 163 Ca 0.16 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 3dhh h LEU 163 Cb 0.56 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3dhh h LEU 163 CO 0.03 0.47 -0.23 0.74 -0.34 0.00 0.00 178.44 179.10 3dhh h THR 164 N 0.87 1.29 -0.58 1.05 2.02 -0.44 -0.75 112.91 116.38 3dhh h THR 164 Ca 0.36 -1.38 0.09 0.00 0.77 0.00 0.00 66.41 66.25 3dhh h THR 164 Cb 0.21 1.49 -0.07 0.00 -1.74 0.00 0.00 68.15 68.04 3dhh h THR 164 CO -0.19 0.45 0.20 0.45 0.37 0.00 0.00 175.52 176.80 3dhh h HIS 165 N 0.48 0.35 -0.30 3.16 3.86 -1.01 -1.23 115.15 120.47 3dhh h HIS 165 Ca 0.06 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 3dhh h HIS 165 Cb 0.79 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.18 3dhh h HIS 165 CO 0.07 0.09 0.09 1.15 0.86 0.00 0.00 177.93 180.18 3dhh h THR 166 N 0.38 1.21 -0.11 2.45 2.02 -1.04 -1.00 112.91 116.81 3dhh h THR 166 Ca 0.29 -0.67 0.02 0.00 0.77 0.00 0.00 66.41 66.82 3dhh h THR 166 Cb 0.35 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 3dhh h THR 166 CO -0.30 0.22 -0.05 0.00 0.37 0.00 0.00 175.52 175.77 3dhh h ALA 167 N 0.92 0.05 -0.00 6.16 0.00 -0.90 0.75 119.26 126.24 3dhh h ALA 167 Ca 0.09 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3dhh h ALA 167 Cb 0.26 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3dhh h ALA 167 CO -0.00 -0.50 -0.12 -0.92 0.00 0.00 0.00 179.25 177.70 3dhh h TYR 168 N -0.03 -0.32 -0.04 0.00 3.20 -1.15 -1.57 116.97 117.06 3dhh h TYR 168 Ca 0.06 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.83 3dhh h TYR 168 Cb 0.12 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3dhh h TYR 168 CO -0.17 -0.19 -0.46 0.00 -1.64 0.00 0.00 178.16 175.71 3dhh h ARG 169 N -0.21 0.10 0.27 1.82 2.47 -1.05 0.18 114.38 117.97 3dhh h ARG 169 Ca 0.04 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 3dhh h ARG 169 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 3dhh h ARG 169 CO -0.12 0.54 -0.13 1.15 0.56 0.00 0.00 179.97 181.97 3dhh h THR 170 N 0.08 0.75 -0.14 2.04 2.02 -0.66 -0.52 112.91 116.48 3dhh h THR 170 Ca 0.00 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 67.09 3dhh h THR 170 Cb 0.84 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 3dhh h THR 170 CO 0.06 0.03 0.01 -0.74 0.37 0.00 0.00 175.52 175.25 3dhh h HIS 171 N -0.43 0.01 -0.42 3.16 -0.00 -1.11 -2.51 115.15 113.86 3dhh h HIS 171 Ca -0.04 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.38 3dhh h HIS 171 Cb 0.32 0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.71 3dhh h HIS 171 CO -0.04 -0.00 0.19 1.49 -0.00 0.00 0.00 177.93 179.56 3dhh h GLU 172 N 0.06 0.37 -0.24 5.26 4.81 -0.89 -2.21 114.58 121.75 3dhh h GLU 172 Ca 0.06 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3dhh h GLU 172 Cb 0.07 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3dhh h GLU 172 CO -0.10 0.25 0.10 1.25 -0.73 0.00 0.00 179.01 179.78 3dhh h LEU 173 N 0.38 0.29 -1.77 1.64 5.85 -1.03 -2.00 115.31 118.67 3dhh h LEU 173 Ca 0.19 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3dhh h LEU 173 Cb 0.13 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3dhh h LEU 173 CO -0.15 0.26 0.00 0.77 -0.34 0.00 0.00 178.44 178.97 3dhh h SER 174 N 0.33 0.00 0.28 1.25 4.64 -0.94 -0.25 113.55 118.86 3dhh h SER 174 Ca 0.08 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.17 3dhh h SER 174 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3dhh h SER 174 CO -0.01 0.00 -0.95 -0.07 -0.87 0.00 0.00 176.83 174.93 3dhh h LEU 175 N 0.00 0.59 0.12 5.97 3.38 -1.25 -2.20 115.31 121.91 3dhh h LEU 175 Ca 0.00 -0.47 -0.27 0.00 0.09 0.00 0.00 57.88 57.23 3dhh h LEU 175 Cb 0.39 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3dhh h LEU 175 CO 0.00 1.27 -1.23 0.74 0.09 0.00 0.00 178.44 179.30 3dhh h THR 176 N 0.26 1.50 -2.67 0.22 2.02 -1.57 -3.41 112.91 109.25 3dhh h THR 176 Ca -0.08 -3.04 -0.61 0.00 0.77 0.00 0.00 66.41 63.45 3dhh h THR 176 Cb 1.58 2.93 -0.41 0.00 -1.74 0.00 0.00 68.15 70.51 3dhh h THR 176 CO 0.17 0.89 -0.69 -1.22 0.37 0.00 0.00 175.52 175.03 3dhh n TYR 177 N -3.54 2.27 1.57 3.16 4.02 -0.13 -4.96 117.16 119.55 3dhh n TYR 177 Ca -0.08 -4.03 0.13 0.00 -0.01 0.00 0.00 57.90 53.90 3dhh n TYR 177 Cb 1.02 -0.42 0.75 0.00 -0.02 0.00 0.00 39.34 40.66 3dhh n TYR 177 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3dhh n PRO 178 N 1.84 0.79 -0.79 -0.72 -0.04 -0.83 -3.75 135.00 131.50 3dhh n PRO 178 Ca 0.24 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.72 3dhh n PRO 178 Cb 0.40 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.55 3dhh n PRO 178 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3dhh n ASP 179 N -1.00 2.17 -0.20 3.54 8.00 -1.26 -4.54 116.55 123.26 3dhh n ASP 179 Ca 0.19 -3.88 0.02 0.00 0.71 0.00 0.00 54.79 51.83 3dhh n ASP 179 Cb 0.09 -0.51 0.03 0.00 -0.02 0.00 0.00 41.12 40.71 3dhh n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dhh n ALA 180 N -1.07 2.33 -1.13 2.24 0.00 -1.25 -5.00 120.51 116.64 3dhh n ALA 180 Ca 0.23 -0.73 -0.04 0.00 0.00 0.00 0.00 53.44 52.90 3dhh n ALA 180 Cb 0.74 -0.15 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 3dhh n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhh n GLY 181 N 0.11 0.68 3.65 0.00 0.00 -1.26 -4.85 105.19 103.52 3dhh n GLY 181 Ca 0.03 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 3dhh n GLY 181 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dhh s LEU 182 N -1.01 4.31 0.00 0.99 1.43 -1.26 -0.87 118.68 122.28 3dhh s LEU 182 Ca 0.00 2.56 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 3dhh s LEU 182 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 3dhh s LEU 182 CO 0.00 -1.16 0.00 0.61 0.23 0.00 0.00 176.35 176.03 3dhh n GLY 183 N 4.68 0.82 0.01 -3.19 0.00 -1.26 -4.85 105.19 101.40 3dhh n GLY 183 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 3dhh n GLY 183 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dhh n GLU 184 N -2.23 2.44 0.00 1.61 1.02 -0.05 -4.88 120.64 118.55 3dhh n GLU 184 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 3dhh n GLU 184 Cb 0.00 -1.05 0.02 0.00 -0.02 0.00 0.00 31.44 30.40 3dhh n GLU 184 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 3dhh n HIS 185 N -2.24 0.00 -0.37 -0.32 -0.00 -0.66 -4.73 115.22 106.90 3dhh n HIS 185 Ca -0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.15 3dhh n HIS 185 Cb 0.56 0.00 0.14 0.00 -0.12 0.00 0.00 29.99 30.57 3dhh n HIS 185 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 3dhh h GLU 186 N 1.28 1.23 -0.22 1.57 3.07 -1.89 -1.65 114.58 117.97 3dhh h GLU 186 Ca 0.00 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 58.75 3dhh h GLU 186 Cb 0.28 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 3dhh h GLU 186 CO 0.00 0.82 0.02 -0.09 -1.40 0.00 0.00 179.01 178.35 3dhh h ARG 187 N 1.27 0.39 -0.52 2.33 2.43 -1.97 -0.37 114.38 117.94 3dhh h ARG 187 Ca 0.40 -0.11 0.09 0.00 -0.81 0.00 0.00 59.98 59.54 3dhh h ARG 187 Cb 0.00 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.44 3dhh h ARG 187 CO -0.13 0.55 0.13 0.93 -1.51 0.00 0.00 179.97 179.95 3dhh h GLU 188 N 0.17 0.27 -0.16 0.20 4.39 -1.82 -0.52 114.58 117.11 3dhh h GLU 188 Ca 0.07 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.76 3dhh h GLU 188 Cb 0.37 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3dhh h GLU 188 CO 0.01 0.18 0.09 -0.07 -1.16 0.00 0.00 179.01 178.05 3dhh h LEU 189 N 0.28 0.14 -0.94 1.33 3.38 -1.09 0.69 115.31 119.09 3dhh h LEU 189 Ca 0.26 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.28 3dhh h LEU 189 Cb 0.34 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 3dhh h LEU 189 CO -0.32 0.11 0.60 -0.25 0.09 0.00 0.00 178.44 178.67 3dhh h TRP 190 N 0.18 1.13 0.01 1.13 2.91 -0.63 -0.21 115.95 120.46 3dhh h TRP 190 Ca 0.06 0.03 -0.22 0.00 1.13 0.00 0.00 58.89 59.89 3dhh h TRP 190 Cb -0.00 -0.37 -0.03 0.00 -0.51 0.00 0.00 29.16 28.25 3dhh h TRP 190 CO -0.08 0.61 -1.11 0.93 -1.03 0.00 0.00 178.44 177.76 3dhh h GLU 191 N 1.13 0.01 0.00 2.65 5.08 -0.84 -3.43 114.58 119.19 3dhh h GLU 191 Ca 0.39 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 3dhh h GLU 191 Cb 0.10 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3dhh h GLU 191 CO -0.15 0.94 -0.67 1.63 -1.00 0.00 0.00 179.01 179.76 3dhh n LYS 192 N -3.32 2.28 -2.26 2.33 5.02 0.21 -5.01 118.16 117.41 3dhh n LYS 192 Ca -0.03 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.84 3dhh n LYS 192 Cb 0.96 -0.83 -0.03 0.00 -0.02 0.00 0.00 35.03 35.11 3dhh n LYS 192 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3dhh s GLU 193 N -1.48 4.27 0.31 1.97 2.56 -0.10 -4.92 118.70 121.32 3dhh s GLU 193 Ca 0.00 1.90 0.07 0.00 0.00 0.00 0.00 54.97 56.95 3dhh s GLU 193 Cb 0.00 -3.64 0.80 0.00 2.00 0.00 0.00 34.13 33.29 3dhh s GLU 193 CO 0.00 -0.61 1.76 -1.35 -0.56 0.00 0.00 175.26 174.50 3dhh h PRO 194 N 8.02 0.67 0.00 4.30 0.11 -1.97 -0.61 132.00 142.52 3dhh h PRO 194 Ca -0.36 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 3dhh h PRO 194 Cb 1.16 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3dhh h PRO 194 CO 0.91 0.44 -0.03 0.78 -0.21 0.00 0.00 178.00 179.90 3dhh h GLY 195 N 0.69 0.00 0.47 -0.55 0.00 -1.91 -1.93 103.07 99.83 3dhh h GLY 195 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.94 3dhh h GLY 195 CO -0.42 0.00 -1.09 0.79 0.00 0.00 0.00 176.54 175.82 3dhh n TRP 196 N -3.55 0.19 0.04 5.60 7.02 -0.26 -2.86 117.44 123.63 3dhh n TRP 196 Ca -0.03 0.06 -0.04 0.00 -1.02 0.00 0.00 57.50 56.47 3dhh n TRP 196 Cb 0.13 -0.37 0.19 0.00 -2.42 0.00 0.00 31.31 28.83 3dhh n TRP 196 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 3dhh h GLN 197 N 0.00 0.40 -0.42 -0.99 1.08 -1.10 -0.31 115.11 113.77 3dhh h GLN 197 Ca 0.00 -0.18 -0.08 0.00 -1.45 0.00 0.00 58.65 56.94 3dhh h GLN 197 Cb 0.71 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 3dhh h GLN 197 CO 0.00 0.71 -0.06 0.78 -0.95 0.00 0.00 178.83 179.31 3dhh h GLY 198 N 1.11 0.85 0.94 3.46 0.00 -1.79 -0.35 103.07 107.29 3dhh h GLY 198 Ca 0.04 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 3dhh h GLY 198 CO 0.06 0.62 0.03 1.41 0.00 0.00 0.00 176.54 178.66 3dhh h LEU 199 N 0.61 0.07 -0.68 3.11 3.38 -1.71 -0.84 115.31 119.26 3dhh h LEU 199 Ca 0.11 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3dhh h LEU 199 Cb 0.58 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3dhh h LEU 199 CO 0.03 0.12 0.12 -0.09 0.09 0.00 0.00 178.44 178.71 3dhh h ARG 200 N 0.02 1.11 -0.50 1.13 2.43 -1.03 -1.02 114.38 116.53 3dhh h ARG 200 Ca 0.02 -0.29 -0.02 0.00 -0.81 0.00 0.00 59.98 58.88 3dhh h ARG 200 Cb 0.06 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3dhh h ARG 200 CO -0.00 1.01 0.23 1.49 -1.51 0.00 0.00 179.97 181.19 3dhh h GLU 201 N 1.04 0.73 -0.27 0.20 4.81 -0.97 -1.88 114.58 118.23 3dhh h GLU 201 Ca 0.21 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 3dhh h GLU 201 Cb 0.43 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 3dhh h GLU 201 CO 0.01 0.61 0.09 1.25 -0.73 0.00 0.00 179.01 180.24 3dhh h LEU 202 N 0.67 0.08 -0.25 1.64 5.85 -0.80 -2.71 115.31 119.79 3dhh h LEU 202 Ca 0.17 0.03 -0.21 0.00 0.84 0.00 0.00 57.88 58.72 3dhh h LEU 202 Cb 0.13 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3dhh h LEU 202 CO -0.02 0.08 -0.69 0.24 -0.34 0.00 0.00 178.44 177.72 3dhh h MET 203 N 0.20 0.78 -0.97 1.25 2.86 -1.13 0.16 114.93 118.08 3dhh h MET 203 Ca 0.12 -0.58 0.01 0.00 -2.06 0.00 0.00 59.70 57.19 3dhh h MET 203 Cb 0.10 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 3dhh h MET 203 CO -0.13 1.20 0.64 0.93 1.06 0.00 0.00 176.91 180.61 3dhh h GLU 204 N 0.56 1.28 -0.11 1.72 5.08 -1.33 0.19 114.58 121.96 3dhh h GLU 204 Ca -0.03 -0.08 -0.19 0.00 -1.00 0.00 0.00 59.36 58.07 3dhh h GLU 204 Cb 1.30 -0.29 0.01 0.00 0.50 0.00 0.00 28.75 30.27 3dhh h GLU 204 CO 0.14 0.85 -0.66 0.87 -1.00 0.00 0.00 179.01 179.20 3dhh h LYS 205 N 1.32 0.64 -0.86 2.33 1.57 -1.41 -3.16 116.57 117.00 3dhh h LYS 205 Ca 0.36 -0.55 0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3dhh h LYS 205 Cb -0.15 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 3dhh h LYS 205 CO -0.08 1.16 0.57 0.37 -0.57 0.00 0.00 179.45 180.90 3dhh h GLN 206 N 0.30 1.12 0.00 3.15 -0.00 -0.31 -1.85 115.11 117.52 3dhh h GLN 206 Ca -0.05 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.53 3dhh h GLN 206 Cb 1.31 -0.25 0.00 0.00 0.00 0.00 0.00 27.48 28.53 3dhh h GLN 206 CO 0.14 0.74 0.00 1.28 0.00 0.00 0.00 178.83 180.99 3dhh n LEU 207 N -4.49 0.48 -0.85 -2.39 4.77 0.63 -1.65 117.00 113.49 3dhh n LEU 207 Ca 0.09 0.66 0.07 0.00 -0.03 0.00 0.00 56.01 56.81 3dhh n LEU 207 Cb 0.02 -0.64 0.20 0.00 -2.33 0.00 0.00 43.42 40.67 3dhh n LEU 207 CO 0.36 -0.64 0.67 0.35 -1.33 0.00 0.00 177.39 176.80 3dhh n THR 208 N -2.07 1.02 -2.81 -5.08 -2.24 -0.71 -4.84 114.28 97.55 3dhh n THR 208 Ca 0.01 -1.01 -0.43 0.00 -2.27 0.00 0.00 64.05 60.35 3dhh n THR 208 Cb 0.13 0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 68.81 3dhh n THR 208 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dhh s ALA 209 N -1.03 3.11 -0.57 6.98 0.00 -0.66 -4.93 121.76 124.67 3dhh s ALA 209 Ca 0.31 -1.44 0.23 0.00 0.00 0.00 0.00 51.96 51.06 3dhh s ALA 209 Cb 0.16 -3.83 0.02 0.00 0.00 0.00 0.00 23.12 19.47 3dhh s ALA 209 CO 0.21 -2.60 0.99 1.19 0.00 0.00 0.00 175.76 175.55 3dhh n PHE 210 N 7.73 0.28 -1.97 0.00 0.99 -1.26 -4.34 117.46 118.89 3dhh n PHE 210 Ca 0.00 0.08 -0.42 0.00 -0.00 0.00 0.00 57.45 57.11 3dhh n PHE 210 Cb 0.47 -0.46 -0.03 0.00 -1.00 0.00 0.00 39.48 38.46 3dhh n PHE 210 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3dhh s ASP 211 N -4.02 6.63 0.24 4.37 2.15 -1.26 -4.80 116.67 119.98 3dhh s ASP 211 Ca 0.03 2.51 -0.07 0.00 0.43 0.00 0.00 52.55 55.45 3dhh s ASP 211 Cb 0.14 -2.58 0.26 0.00 -0.30 0.00 0.00 42.92 40.44 3dhh s ASP 211 CO 0.81 -0.82 1.89 4.11 -0.17 0.00 0.00 175.17 180.99 3dhh h TRP 212 N 7.43 1.09 -0.44 -5.34 5.08 -1.35 0.17 115.95 122.59 3dhh h TRP 212 Ca -0.42 0.03 -0.09 0.00 1.08 0.00 0.00 58.89 59.49 3dhh h TRP 212 Cb 1.20 -0.36 -0.01 0.00 -3.00 0.00 0.00 29.16 26.99 3dhh h TRP 212 CO 0.70 0.64 -0.06 0.78 -1.28 0.00 0.00 178.44 179.22 3dhh h GLY 213 N 1.14 0.88 1.16 11.11 0.00 -1.91 -0.63 103.07 114.82 3dhh h GLY 213 Ca 0.35 -0.70 -0.16 0.00 0.00 0.00 0.00 47.33 46.82 3dhh h GLY 213 CO -0.11 0.64 -0.39 -2.09 0.00 0.00 0.00 176.54 174.59 3dhh h GLU 214 N 0.65 0.92 0.00 4.80 4.81 -1.84 -1.11 114.58 122.81 3dhh h GLU 214 Ca 0.12 -0.49 0.03 0.00 -0.13 0.00 0.00 59.36 58.89 3dhh h GLU 214 Cb 0.58 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 3dhh h GLU 214 CO 0.03 1.14 -0.25 0.00 -0.73 0.00 0.00 179.01 179.21 3dhh h ALA 215 N 0.79 -0.33 -0.05 2.92 0.00 -0.61 0.29 119.26 122.26 3dhh h ALA 215 Ca 0.06 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3dhh h ALA 215 Cb 0.98 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3dhh h ALA 215 CO 0.10 -0.75 -0.03 0.35 0.00 0.00 0.00 179.25 178.91 3dhh h PHE 216 N -0.39 -0.08 -0.06 0.00 3.57 -1.01 -0.23 116.94 118.74 3dhh h PHE 216 Ca 0.06 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3dhh h PHE 216 Cb 0.47 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 3dhh h PHE 216 CO -0.28 -0.05 0.01 0.28 -2.23 0.00 0.00 178.31 176.03 3dhh h VAL 217 N -0.04 1.21 -0.69 1.41 2.07 -1.07 0.18 116.25 119.32 3dhh h VAL 217 Ca 0.03 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3dhh h VAL 217 Cb 0.08 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3dhh h VAL 217 CO -0.08 0.17 0.41 0.77 0.02 0.00 0.00 177.57 178.87 3dhh h SER 218 N -0.13 0.84 0.35 0.57 4.64 -0.38 -1.54 113.55 117.89 3dhh h SER 218 Ca 0.02 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 3dhh h SER 218 Cb 0.27 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3dhh h SER 218 CO 0.00 0.66 -0.17 0.25 -0.87 0.00 0.00 176.83 176.71 3dhh h LEU 219 N 0.94 -0.40 0.00 5.97 5.85 -0.96 -0.58 115.31 126.13 3dhh h LEU 219 Ca 0.25 -0.15 -0.18 0.00 0.84 0.00 0.00 57.88 58.64 3dhh h LEU 219 Cb -0.01 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3dhh h LEU 219 CO -0.04 0.04 -1.26 0.78 -0.34 0.00 0.00 178.44 177.62 3dhh h ASN 220 N -0.96 0.00 0.00 1.25 4.21 -0.70 -0.66 115.58 118.72 3dhh h ASN 220 Ca -0.05 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.46 3dhh h ASN 220 Cb 0.52 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.72 3dhh h ASN 220 CO 0.08 0.66 -1.72 0.18 -1.29 0.00 0.00 177.43 175.34 3dhh n LEU 221 N -3.01 0.07 -0.00 1.61 4.77 -0.61 -4.33 117.00 115.49 3dhh n LEU 221 Ca -0.08 -0.04 -0.03 0.00 -0.03 0.00 0.00 56.01 55.83 3dhh n LEU 221 Cb 0.86 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.94 3dhh n LEU 221 CO 0.43 0.02 -0.24 0.52 -1.33 0.00 0.00 177.39 176.78 3dhh n VAL 222 N -2.05 1.29 0.28 4.08 0.31 -1.01 -4.69 118.33 116.54 3dhh n VAL 222 Ca -0.03 0.31 -0.14 0.00 -0.01 0.00 0.00 64.34 64.46 3dhh n VAL 222 Cb 0.44 -1.85 -0.08 0.00 -0.91 0.00 0.00 33.84 31.45 3dhh n VAL 222 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3dhh h VAL 223 N -0.36 0.31 -0.70 2.52 2.07 -1.03 -3.06 116.25 116.00 3dhh h VAL 223 Ca 0.00 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 3dhh h VAL 223 Cb 0.36 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3dhh h VAL 223 CO 0.00 0.04 0.29 0.11 0.02 0.00 0.00 177.57 178.04 3dhh h LYS 224 N -1.01 1.04 -0.13 1.57 1.57 -1.36 -1.79 116.57 116.46 3dhh h LYS 224 Ca -0.07 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 3dhh h LYS 224 Cb 0.63 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3dhh h LYS 224 CO 0.12 0.85 -0.10 -1.35 -0.57 0.00 0.00 179.45 178.41 3dhh h PRO 225 N 1.00 0.20 -0.71 3.15 0.11 -1.76 -2.69 132.00 131.30 3dhh h PRO 225 Ca 0.24 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.28 3dhh h PRO 225 Cb 0.19 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.24 3dhh h PRO 225 CO -0.02 0.31 0.34 1.98 -0.21 0.00 0.00 178.00 180.41 3dhh h MET 226 N 0.19 1.02 -0.73 1.05 1.85 -1.28 -1.86 114.93 115.19 3dhh h MET 226 Ca 0.04 -0.15 -0.00 0.00 -0.61 0.00 0.00 59.70 58.98 3dhh h MET 226 Cb 0.30 -0.18 -0.04 0.00 0.43 0.00 0.00 31.60 32.11 3dhh h MET 226 CO 0.02 0.80 0.44 0.82 -0.40 0.00 0.00 176.91 178.59 3dhh h ILE 227 N 0.99 1.21 -0.08 1.77 2.04 -1.04 0.37 117.51 122.78 3dhh h ILE 227 Ca 0.24 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 3dhh h ILE 227 Cb 0.12 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3dhh h ILE 227 CO -0.03 0.22 0.05 0.58 0.00 0.00 0.00 178.15 178.96 3dhh h VAL 228 N 0.99 1.05 -0.17 1.67 2.07 -1.31 0.14 116.25 120.70 3dhh h VAL 228 Ca 0.26 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.54 3dhh h VAL 228 Cb -0.03 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3dhh h VAL 228 CO -0.05 0.05 -0.28 -0.33 0.02 0.00 0.00 177.57 176.98 3dhh h GLU 229 N 0.07 0.49 0.00 1.57 5.08 -1.04 -1.94 114.58 118.80 3dhh h GLU 229 Ca 0.03 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3dhh h GLU 229 Cb 0.04 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3dhh h GLU 229 CO -0.01 0.90 -1.11 0.43 -1.00 0.00 0.00 179.01 178.22 3dhh n SER 230 N -4.39 1.08 0.02 1.42 7.64 0.13 -4.38 113.62 115.14 3dhh n SER 230 Ca -0.06 -0.48 -0.01 0.00 1.01 0.00 0.00 58.87 59.33 3dhh n SER 230 Cb 0.46 1.29 -0.00 0.00 -1.01 0.00 0.00 64.21 64.95 3dhh n SER 230 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3dhh n ILE 231 N -1.63 0.92 0.26 0.44 5.41 -0.36 -4.65 119.36 119.74 3dhh n ILE 231 Ca 0.00 0.28 -0.16 0.00 1.00 0.00 0.00 62.75 63.87 3dhh n ILE 231 Cb 0.29 -1.55 -0.08 0.00 -0.71 0.00 0.00 39.64 37.60 3dhh n ILE 231 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 3dhh h PHE 232 N -0.13 -1.07 -0.27 1.39 0.05 -0.87 -1.94 116.94 114.10 3dhh h PHE 232 Ca 0.00 0.01 -0.03 0.00 3.82 0.00 0.00 57.97 61.77 3dhh h PHE 232 Cb 0.13 0.41 -0.01 0.00 2.00 0.00 0.00 35.95 38.48 3dhh h PHE 232 CO -0.06 -0.55 0.07 0.87 -0.18 0.00 0.00 178.31 178.46 3dhh h LYS 233 N -0.83 0.43 -0.87 1.51 1.57 -1.58 -2.42 116.57 114.38 3dhh h LYS 233 Ca -0.04 -0.10 0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3dhh h LYS 233 Cb 0.73 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.93 3dhh h LYS 233 CO -0.05 0.52 0.57 -1.35 -0.57 0.00 0.00 179.45 178.57 3dhh h PRO 234 N 0.27 0.97 -0.76 3.15 0.11 -1.76 -1.82 132.00 132.17 3dhh h PRO 234 Ca 0.09 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 3dhh h PRO 234 Cb 0.28 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.13 3dhh h PRO 234 CO 0.00 0.64 0.35 -0.07 -0.21 0.00 0.00 178.00 178.71 3dhh h LEU 235 N 1.00 0.99 -0.58 2.35 3.38 -1.21 -1.03 115.31 120.20 3dhh h LEU 235 Ca 0.37 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3dhh h LEU 235 Cb 0.18 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3dhh h LEU 235 CO -0.13 0.84 0.31 1.56 0.09 0.00 0.00 178.44 181.10 3dhh h GLN 236 N 1.08 0.82 -0.17 1.13 4.20 -0.88 -0.19 115.11 121.10 3dhh h GLN 236 Ca 0.26 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 58.88 3dhh h GLN 236 Cb 0.12 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3dhh h GLN 236 CO -0.03 0.64 0.05 0.37 -0.67 0.00 0.00 178.83 179.19 3dhh h GLN 237 N 0.79 0.13 -0.67 1.46 5.75 -1.08 -1.81 115.11 119.67 3dhh h GLN 237 Ca 0.20 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.62 3dhh h GLN 237 Cb 0.07 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 3dhh h GLN 237 CO -0.03 0.08 0.12 1.96 -2.65 0.00 0.00 178.83 178.32 3dhh h GLN 238 N 0.13 1.09 -0.64 1.69 1.08 -0.98 -2.40 115.11 115.08 3dhh h GLN 238 Ca 0.07 -0.28 0.02 0.00 -1.45 0.00 0.00 58.65 57.02 3dhh h GLN 238 Cb 0.05 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.31 3dhh h GLN 238 CO -0.09 0.99 0.41 0.00 -0.95 0.00 0.00 178.83 179.19 3dhh h ALA 239 N 1.10 0.83 -0.52 3.87 0.00 -0.89 -1.77 119.26 121.88 3dhh h ALA 239 Ca 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3dhh h ALA 239 Cb 0.41 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3dhh h ALA 239 CO 0.01 0.18 0.26 2.35 0.00 0.00 0.00 179.25 182.05 3dhh h TRP 240 N 0.81 0.70 0.00 0.00 7.01 -0.94 -1.01 115.95 122.51 3dhh h TRP 240 Ca 0.25 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.24 3dhh h TRP 240 Cb -0.01 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 26.82 3dhh h TRP 240 CO -0.04 0.51 0.00 0.39 -2.79 0.00 0.00 178.44 176.50 3dhh n GLU 241 N -4.39 0.17 -0.24 2.65 1.02 -0.87 -3.52 120.64 115.45 3dhh n GLU 241 Ca 0.04 0.18 0.09 0.00 -0.02 0.00 0.00 57.16 57.45 3dhh n GLU 241 Cb 0.11 -1.71 0.18 0.00 -0.02 0.00 0.00 31.44 30.00 3dhh n GLU 241 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3dhh n ASN 242 N -2.00 2.68 -3.12 1.62 4.13 -0.59 -4.98 115.26 113.01 3dhh n ASN 242 Ca 0.05 -3.17 -0.23 0.00 1.68 0.00 0.00 54.58 52.92 3dhh n ASN 242 Cb 0.37 -0.48 0.03 0.00 -1.54 0.00 0.00 39.78 38.16 3dhh n ASN 242 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3dhh n ASN 243 N -1.17 -5.53 -4.30 6.41 5.15 -0.80 -0.71 115.26 114.31 3dhh n ASN 243 Ca 0.18 -0.32 -0.45 0.00 -0.60 0.00 0.00 54.58 53.40 3dhh n ASN 243 Cb 0.72 -4.48 -0.06 0.00 -0.53 0.00 0.00 39.78 35.44 3dhh n ASN 243 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3dhh s ASP 244 N -2.72 6.12 0.04 1.20 -1.08 -0.49 -4.27 116.67 115.46 3dhh s ASP 244 Ca 0.33 -1.77 0.23 0.00 -0.52 0.00 0.00 52.55 50.83 3dhh s ASP 244 Cb -0.16 -2.18 0.17 0.00 -1.46 0.00 0.00 42.92 39.29 3dhh s ASP 244 CO 0.41 -0.82 1.14 0.35 0.52 0.00 0.00 175.17 176.78 3dhh n THR 245 N 5.20 0.12 -0.03 1.71 -2.24 -1.26 -4.13 114.28 113.65 3dhh n THR 245 Ca -0.13 -0.15 -0.11 0.00 -2.27 0.00 0.00 64.05 61.39 3dhh n THR 245 Cb 0.40 0.29 -0.10 0.00 -2.10 0.00 0.00 70.33 68.83 3dhh n THR 245 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3dhh h LEU 246 N 0.00 -0.05 -0.75 3.22 5.85 -1.97 -3.34 115.31 118.27 3dhh h LEU 246 Ca 0.00 -0.63 0.17 0.00 0.84 0.00 0.00 57.88 58.26 3dhh h LEU 246 Cb 0.64 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.56 3dhh h LEU 246 CO 0.00 0.70 0.10 0.25 -0.34 0.00 0.00 178.44 179.15 3dhh h LEU 247 N -0.89 -0.16 -1.38 2.25 5.85 -1.99 -1.03 115.31 117.97 3dhh h LEU 247 Ca -0.01 0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.90 3dhh h LEU 247 Cb 0.68 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 3dhh h LEU 247 CO 0.01 -0.12 0.43 -0.65 -0.34 0.00 0.00 178.44 177.77 3dhh h PRO 248 N 0.18 0.83 -0.34 5.25 0.11 -1.76 0.42 132.00 136.69 3dhh h PRO 248 Ca 0.42 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.37 3dhh h PRO 248 Cb 0.75 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 3dhh h PRO 248 CO -0.59 0.55 -0.24 -0.07 -0.21 0.00 0.00 178.00 177.43 3dhh h LEU 249 N 0.85 0.80 0.06 2.35 3.38 -1.36 -1.57 115.31 119.82 3dhh h LEU 249 Ca 0.24 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3dhh h LEU 249 Cb -0.06 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.47 3dhh h LEU 249 CO -0.06 1.07 -0.03 0.25 0.09 0.00 0.00 178.44 179.76 3dhh h LEU 250 N 0.54 -0.07 -1.49 1.67 5.85 -1.03 -2.70 115.31 118.09 3dhh h LEU 250 Ca 0.07 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.76 3dhh h LEU 250 Cb 0.80 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 3dhh h LEU 250 CO 0.07 0.03 0.40 0.40 -0.34 0.00 0.00 178.44 179.00 3dhh h ILE 251 N -0.16 1.03 -0.60 4.05 2.04 -0.91 -1.53 117.51 121.43 3dhh h ILE 251 Ca -0.01 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 3dhh h ILE 251 Cb 0.14 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 3dhh h ILE 251 CO 0.01 0.12 0.18 0.44 0.00 0.00 0.00 178.15 178.90 3dhh h ASP 252 N 0.64 0.85 -0.50 1.72 3.32 -1.07 0.22 116.42 121.60 3dhh h ASP 252 Ca 0.25 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 3dhh h ASP 252 Cb 0.20 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3dhh h ASP 252 CO -0.07 0.80 0.10 -1.28 -1.72 0.00 0.00 179.24 177.06 3dhh h SER 253 N 0.88 0.78 -0.18 6.45 0.87 -1.00 -2.69 113.55 118.67 3dhh h SER 253 Ca 0.20 -0.25 -0.05 0.00 -1.23 0.00 0.00 61.79 60.46 3dhh h SER 253 Cb 0.26 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 3dhh h SER 253 CO -0.01 0.83 -0.02 1.56 -0.53 0.00 0.00 176.83 178.66 3dhh h GLN 254 N 0.69 0.45 0.00 2.24 4.20 -0.77 -2.29 115.11 119.64 3dhh h GLN 254 Ca 0.15 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 3dhh h GLN 254 Cb 0.37 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3dhh h GLN 254 CO 0.01 0.50 -0.32 -0.07 -0.67 0.00 0.00 178.83 178.28 3dhh h LEU 255 N 0.44 0.00 -0.57 1.46 3.38 -0.40 -1.51 115.31 118.11 3dhh h LEU 255 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3dhh h LEU 255 Cb 0.32 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3dhh h LEU 255 CO 0.01 0.32 0.28 0.11 0.09 0.00 0.00 178.44 179.24 3dhh h LYS 256 N 0.00 0.81 -0.03 1.13 1.57 -1.08 0.14 116.57 119.12 3dhh h LYS 256 Ca -0.00 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3dhh h LYS 256 Cb 0.60 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3dhh h LYS 256 CO 0.04 0.66 -0.05 -0.44 -0.57 0.00 0.00 179.45 179.09 3dhh h ASP 257 N 0.77 -0.14 -0.93 0.86 3.32 -1.31 -2.37 116.42 116.61 3dhh h ASP 257 Ca 0.20 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3dhh h ASP 257 Cb 0.11 0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 3dhh h ASP 257 CO -0.03 -0.07 0.59 0.00 -1.72 0.00 0.00 179.24 178.01 3dhh h ALA 258 N 0.96 1.19 -0.63 3.45 0.00 -1.02 -0.91 119.26 122.30 3dhh h ALA 258 Ca 0.03 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3dhh h ALA 258 Cb 0.11 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3dhh h ALA 258 CO -0.07 0.62 0.05 1.49 0.00 0.00 0.00 179.25 181.33 3dhh h GLU 259 N 1.28 1.08 -0.84 0.00 4.57 -0.90 -0.34 114.58 119.43 3dhh h GLU 259 Ca 0.34 -0.31 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 3dhh h GLU 259 Cb -0.10 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.34 3dhh h GLU 259 CO -0.07 1.02 0.55 -0.09 -1.18 0.00 0.00 179.01 179.24 3dhh h ARG 260 N 0.99 1.11 -0.83 1.92 2.43 -0.80 0.20 114.38 119.41 3dhh h ARG 260 Ca 0.19 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3dhh h ARG 260 Cb 0.50 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 3dhh h ARG 260 CO 0.02 0.74 0.37 0.45 -1.51 0.00 0.00 179.97 180.04 3dhh h HIS 261 N 1.14 1.23 -0.83 2.20 3.86 -0.77 -2.01 115.15 119.97 3dhh h HIS 261 Ca 0.31 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 3dhh h HIS 261 Cb -0.12 -0.37 -0.04 0.00 1.06 0.00 0.00 27.41 27.94 3dhh h HIS 261 CO -0.01 0.90 0.45 1.03 0.86 0.00 0.00 177.93 181.15 3dhh h SER 262 N 1.19 1.03 -0.36 2.45 0.87 0.08 -1.90 113.55 116.92 3dhh h SER 262 Ca 0.28 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 3dhh h SER 262 Cb 0.16 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 3dhh h SER 262 CO -0.03 0.84 0.10 0.03 -0.53 0.00 0.00 176.83 177.24 3dhh h ARG 263 N 1.16 0.56 -0.06 2.24 3.08 0.04 -1.19 114.38 120.21 3dhh h ARG 263 Ca 0.29 -0.12 -0.15 0.00 0.07 0.00 0.00 59.98 60.06 3dhh h ARG 263 Cb 0.04 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3dhh h ARG 263 CO -0.05 0.58 -0.65 0.11 -1.07 0.00 0.00 179.97 178.90 3dhh h TRP 264 N 0.42 0.30 -0.15 3.04 5.08 -1.26 -1.54 115.95 121.84 3dhh h TRP 264 Ca 0.11 -0.12 0.01 0.00 1.08 0.00 0.00 58.89 59.97 3dhh h TRP 264 Cb 0.26 -0.05 -0.01 0.00 -3.00 0.00 0.00 29.16 26.36 3dhh h TRP 264 CO 0.01 0.81 0.08 0.77 -1.28 0.00 0.00 178.44 178.83 3dhh h SER 265 N 0.16 0.12 -0.44 0.11 0.02 -1.19 -0.13 113.55 112.21 3dhh h SER 265 Ca -0.01 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 3dhh h SER 265 Cb 1.17 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 3dhh h SER 265 CO 0.10 0.09 -0.01 0.11 -1.14 0.00 0.00 176.83 175.98 3dhh h LYS 266 N 0.16 0.85 -0.69 3.45 1.79 -1.14 -0.56 116.57 120.43 3dhh h LYS 266 Ca 0.06 -0.24 -0.02 0.00 -2.18 0.00 0.00 60.65 58.27 3dhh h LYS 266 Cb 0.01 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.53 3dhh h LYS 266 CO -0.04 0.85 0.36 0.00 -1.08 0.00 0.00 179.45 179.55 3dhh h ALA 267 N 1.20 1.34 -0.34 3.86 0.00 -0.91 -1.08 119.26 123.34 3dhh h ALA 267 Ca 0.15 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3dhh h ALA 267 Cb 0.48 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3dhh h ALA 267 CO 0.02 0.53 -0.32 1.25 0.00 0.00 0.00 179.25 180.74 3dhh h LEU 268 N 0.97 0.86 -0.17 0.00 5.85 -0.43 -1.15 115.31 121.24 3dhh h LEU 268 Ca 0.24 -0.46 0.01 0.00 0.84 0.00 0.00 57.88 58.51 3dhh h LEU 268 Cb 0.05 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3dhh h LEU 268 CO -0.04 1.15 0.06 0.58 -0.34 0.00 0.00 178.44 179.86 3dhh h VAL 269 N 0.59 0.97 -0.60 1.05 2.07 -0.87 0.97 116.25 120.42 3dhh h VAL 269 Ca 0.06 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.62 3dhh h VAL 269 Cb 0.90 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 3dhh h VAL 269 CO 0.08 0.03 0.23 0.50 0.02 0.00 0.00 177.57 178.43 3dhh h LYS 270 N 0.15 0.40 -0.28 1.57 3.64 -1.11 -0.23 116.57 120.70 3dhh h LYS 270 Ca 0.07 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3dhh h LYS 270 Cb 0.03 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3dhh h LYS 270 CO -0.07 0.26 0.12 1.25 -2.27 0.00 0.00 179.45 178.74 3dhh h HIS 271 N 0.41 0.43 -0.42 1.91 2.76 -0.90 -3.14 115.15 116.21 3dhh h HIS 271 Ca 0.30 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.42 3dhh h HIS 271 Cb 0.37 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.18 3dhh h HIS 271 CO -0.16 0.43 0.17 0.00 -1.30 0.00 0.00 177.93 177.06 3dhh h ALA 272 N 0.96 1.50 0.00 5.26 0.00 -0.14 -2.58 119.26 124.26 3dhh h ALA 272 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dhh h ALA 272 Cb 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3dhh h ALA 272 CO -0.01 0.38 0.00 1.28 0.00 0.00 0.00 179.25 180.91 3dhh n LEU 273 N -4.37 0.00 0.28 0.00 4.77 -0.16 -2.01 117.00 115.51 3dhh n LEU 273 Ca 0.03 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.15 3dhh n LEU 273 Cb 0.15 0.00 0.83 0.00 -2.33 0.00 0.00 43.42 42.07 3dhh n LEU 273 CO 0.37 0.00 1.05 -0.33 -1.33 0.00 0.00 177.39 177.15 3dhh h GLU 274 N 0.00 0.00 -4.98 3.23 5.08 -1.48 -3.37 114.58 113.06 3dhh h GLU 274 Ca 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 3dhh h GLU 274 Cb 0.00 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.07 3dhh h GLU 274 CO 0.00 0.06 -0.14 1.21 -1.00 0.00 0.00 179.01 179.14 3dhh s ASN 275 N -6.10 6.22 0.53 1.42 3.84 -0.85 -4.98 114.94 115.02 3dhh s ASN 275 Ca -0.04 -0.58 0.25 0.00 0.21 0.00 0.00 52.86 52.70 3dhh s ASN 275 Cb 0.14 -2.24 1.38 0.00 -0.55 0.00 0.00 41.25 39.98 3dhh s ASN 275 CO 0.56 -0.61 2.00 -0.65 -2.79 0.00 0.00 177.10 175.61 3dhh h PRO 276 N 8.75 0.01 -0.07 0.43 0.11 -1.85 -0.44 132.00 138.94 3dhh h PRO 276 Ca -0.26 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.87 3dhh h PRO 276 Cb 1.11 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3dhh h PRO 276 CO 0.81 0.01 0.08 -0.44 -0.21 0.00 0.00 178.00 178.25 3dhh h ASP 277 N 0.01 0.00 1.08 -2.05 3.32 -1.93 -3.02 116.42 113.83 3dhh h ASP 277 Ca 0.24 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 3dhh h ASP 277 Cb 0.97 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 3dhh h ASP 277 CO -0.01 0.00 -0.26 0.78 -1.72 0.00 0.00 179.24 178.04 3dhh h ASN 278 N 0.00 0.00 -0.12 6.45 2.35 -1.33 -3.21 115.58 119.72 3dhh h ASN 278 Ca 0.03 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.82 3dhh h ASN 278 Cb 0.20 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.52 3dhh h ASN 278 CO -0.00 0.26 -0.13 -0.74 -1.65 0.00 0.00 177.43 175.16 3dhh h HIS 279 N 0.00 -0.34 -0.51 1.19 2.76 -1.70 0.30 115.15 116.85 3dhh h HIS 279 Ca -0.00 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.11 3dhh h HIS 279 Cb 0.87 0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.98 3dhh h HIS 279 CO 0.00 -0.20 -0.01 0.00 -1.30 0.00 0.00 177.93 176.42 3dhh h ALA 280 N 0.89 1.02 -0.04 5.26 0.00 -1.77 -0.49 119.26 124.13 3dhh h ALA 280 Ca 0.09 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3dhh h ALA 280 Cb 0.29 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3dhh h ALA 280 CO -0.22 0.60 0.02 0.28 0.00 0.00 0.00 179.25 179.93 3dhh h VAL 281 N 0.80 1.12 -0.18 0.00 2.07 -1.49 -1.87 116.25 116.69 3dhh h VAL 281 Ca 0.15 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3dhh h VAL 281 Cb 0.49 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3dhh h VAL 281 CO 0.02 0.10 0.01 0.40 0.02 0.00 0.00 177.57 178.13 3dhh h ILE 282 N -0.07 1.24 -0.58 4.57 2.04 -0.86 -2.61 117.51 121.24 3dhh h ILE 282 Ca 0.01 -0.80 0.05 0.00 1.00 0.00 0.00 64.86 65.12 3dhh h ILE 282 Cb 0.14 1.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 3dhh h ILE 282 CO -0.00 0.24 0.32 -0.08 0.00 0.00 0.00 178.15 178.63 3dhh h GLU 283 N 0.09 0.59 -0.43 2.37 4.81 -1.09 -1.02 114.58 119.90 3dhh h GLU 283 Ca 0.05 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 3dhh h GLU 283 Cb 0.35 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3dhh h GLU 283 CO 0.01 0.39 -0.05 0.78 -0.73 0.00 0.00 179.01 179.41 3dhh h GLY 284 N 0.61 0.79 1.11 1.92 0.00 -1.30 -0.05 103.07 106.15 3dhh h GLY 284 Ca 0.25 -0.55 -0.14 0.00 0.00 0.00 0.00 47.33 46.89 3dhh h GLY 284 CO -0.15 0.51 -0.27 1.49 0.00 0.00 0.00 176.54 178.12 3dhh h TRP 285 N 0.68 1.13 -0.74 5.60 6.55 -1.21 -1.22 115.95 126.75 3dhh h TRP 285 Ca 0.13 -0.30 -0.00 0.00 0.95 0.00 0.00 58.89 59.67 3dhh h TRP 285 Cb 0.49 -0.26 -0.04 0.00 -0.86 0.00 0.00 29.16 28.50 3dhh h TRP 285 CO 0.02 1.12 0.46 0.82 -1.05 0.00 0.00 178.44 179.82 3dhh h ILE 286 N 0.82 1.20 0.00 1.49 2.04 -0.73 -1.44 117.51 120.89 3dhh h ILE 286 Ca 0.09 -0.42 -0.11 0.00 1.00 0.00 0.00 64.86 65.42 3dhh h ILE 286 Cb 0.85 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3dhh h ILE 286 CO 0.08 0.21 -0.50 -0.33 0.00 0.00 0.00 178.15 177.60 3dhh h GLU 287 N 1.01 0.00 -0.37 2.37 4.39 -0.98 0.53 114.58 121.53 3dhh h GLU 287 Ca 0.27 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.88 3dhh h GLU 287 Cb -0.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 3dhh h GLU 287 CO -0.05 0.50 -0.12 -0.22 -1.16 0.00 0.00 179.01 177.96 3dhh h LYS 288 N 0.00 0.74 0.00 2.33 3.64 -0.76 -3.35 116.57 119.17 3dhh h LYS 288 Ca -0.01 -0.30 -0.26 0.00 -1.27 0.00 0.00 60.65 58.82 3dhh h LYS 288 Cb 0.91 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.65 3dhh h LYS 288 CO 0.07 0.90 -1.62 0.91 -2.27 0.00 0.00 179.45 177.44 3dhh n TRP 289 N -4.34 1.01 -0.30 1.91 7.02 -0.58 -4.46 117.44 117.69 3dhh n TRP 289 Ca -0.02 0.36 0.05 0.00 -1.02 0.00 0.00 57.50 56.87 3dhh n TRP 289 Cb 0.37 -1.16 0.20 0.00 -2.42 0.00 0.00 31.31 28.30 3dhh n TRP 289 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 3dhh h ARG 290 N 0.00 0.74 -0.87 -0.99 2.43 -1.03 -2.38 114.38 112.29 3dhh h ARG 290 Ca -0.25 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.86 3dhh h ARG 290 Cb 1.89 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 31.23 3dhh h ARG 290 CO 0.07 0.49 0.46 -1.35 -1.51 0.00 0.00 179.97 178.13 3dhh h PRO 291 N 0.76 1.21 -0.58 0.20 0.11 -1.78 0.28 132.00 132.20 3dhh h PRO 291 Ca 0.44 -0.15 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 3dhh h PRO 291 Cb 0.49 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.33 3dhh h PRO 291 CO -0.29 0.89 0.34 -0.07 -0.21 0.00 0.00 178.00 178.66 3dhh h LEU 292 N 1.21 0.71 -0.36 2.35 3.38 -1.71 -1.30 115.31 119.59 3dhh h LEU 292 Ca 0.30 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3dhh h LEU 292 Cb 0.04 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3dhh h LEU 292 CO -0.05 0.57 0.20 0.00 0.09 0.00 0.00 178.44 179.25 3dhh h ALA 293 N 1.17 0.46 -0.42 1.53 0.00 -0.95 -1.07 119.26 119.99 3dhh h ALA 293 Ca 0.21 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3dhh h ALA 293 Cb 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3dhh h ALA 293 CO -0.04 -0.01 0.24 -0.44 0.00 0.00 0.00 179.25 179.00 3dhh h ASP 294 N 0.46 0.38 -0.46 0.00 3.45 -0.29 -1.20 116.42 118.76 3dhh h ASP 294 Ca 0.13 0.01 -0.09 0.00 0.43 0.00 0.00 57.03 57.50 3dhh h ASP 294 Cb 0.05 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 38.73 3dhh h ASP 294 CO -0.02 0.27 -0.04 0.03 -1.57 0.00 0.00 179.24 177.91 3dhh h ARG 295 N 0.48 0.90 -0.10 3.56 3.08 -1.16 -1.03 114.38 120.11 3dhh h ARG 295 Ca 0.17 -0.28 0.04 0.00 0.07 0.00 0.00 59.98 59.98 3dhh h ARG 295 Cb 0.02 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 29.93 3dhh h ARG 295 CO -0.09 0.92 -0.31 0.00 -1.07 0.00 0.00 179.97 179.43 3dhh h ALA 296 N 1.12 -0.37 -0.61 0.04 0.00 -0.88 -2.10 119.26 116.47 3dhh h ALA 296 Ca 0.15 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3dhh h ALA 296 Cb 0.55 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3dhh h ALA 296 CO 0.03 -0.79 0.26 0.00 0.00 0.00 0.00 179.25 178.75 3dhh h ALA 297 N 0.42 0.79 -0.31 0.00 0.00 -1.07 -2.51 119.26 116.58 3dhh h ALA 297 Ca 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3dhh h ALA 297 Cb 0.53 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3dhh h ALA 297 CO -0.33 0.38 0.09 0.93 0.00 0.00 0.00 179.25 180.32 3dhh h GLU 298 N 0.84 0.49 -0.62 0.00 5.08 -1.08 -1.77 114.58 117.52 3dhh h GLU 298 Ca 0.21 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 3dhh h GLU 298 Cb 0.17 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3dhh h GLU 298 CO -0.02 0.55 0.14 0.00 -1.00 0.00 0.00 179.01 178.68 3dhh h ALA 299 N 0.92 0.82 0.29 3.43 0.00 -1.35 -2.11 119.26 121.26 3dhh h ALA 299 Ca 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3dhh h ALA 299 Cb 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3dhh h ALA 299 CO -0.00 0.54 -0.14 -0.92 0.00 0.00 0.00 179.25 178.73 3dhh h TYR 300 N 0.91 -0.36 -0.74 0.00 3.20 -1.30 -1.41 116.97 117.27 3dhh h TYR 300 Ca 0.19 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.06 3dhh h TYR 300 Cb 0.37 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 3dhh h TYR 300 CO 0.03 -0.22 0.48 -0.07 -1.64 0.00 0.00 178.16 176.73 3dhh h LEU 301 N -0.39 0.86 -0.48 2.82 3.38 -1.26 0.18 115.31 120.43 3dhh h LEU 301 Ca -0.04 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 3dhh h LEU 301 Cb 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3dhh h LEU 301 CO 0.07 0.63 -0.38 0.77 0.09 0.00 0.00 178.44 179.61 3dhh h SER 302 N 1.01 0.89 -0.50 -0.43 4.64 -1.29 0.16 113.55 118.02 3dhh h SER 302 Ca 0.27 -0.40 0.03 0.00 -0.47 0.00 0.00 61.79 61.21 3dhh h SER 302 Cb -0.10 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.70 3dhh h SER 302 CO -0.06 1.17 0.29 -0.03 -0.87 0.00 0.00 176.83 177.33 3dhh h MET 303 N 0.69 0.55 -0.43 4.77 1.85 -0.64 -2.51 114.93 119.22 3dhh h MET 303 Ca 0.06 -0.03 -0.11 0.00 -0.61 0.00 0.00 59.70 59.00 3dhh h MET 303 Cb 0.95 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.84 3dhh h MET 303 CO 0.09 0.37 -0.18 1.25 -0.40 0.00 0.00 176.91 178.04 3dhh h LEU 304 N 0.57 0.82 -0.99 3.39 5.85 -0.37 -3.19 115.31 121.39 3dhh h LEU 304 Ca 0.20 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3dhh h LEU 304 Cb 0.04 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.85 3dhh h LEU 304 CO -0.10 0.99 -0.06 -1.54 -0.34 0.00 0.00 178.44 177.38 3dhh n SER 305 N -4.13 1.61 -0.45 1.25 3.41 0.02 -5.08 113.62 110.24 3dhh n SER 305 Ca 0.01 -1.45 0.14 0.00 -0.26 0.00 0.00 58.87 57.31 3dhh n SER 305 Cb 0.41 0.04 0.55 0.00 -0.26 0.00 0.00 64.21 64.95 3dhh n SER 305 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34