#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xhd s THR 5 N 0.00 4.85 -0.04 -0.18 2.01 -1.26 -4.50 115.64 116.52 2xhd s THR 5 Ca 0.00 1.67 -0.30 0.00 0.31 0.00 0.00 61.69 63.37 2xhd s THR 5 Cb 0.00 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 2xhd s THR 5 CO 0.00 -0.02 1.10 -0.69 -0.69 0.00 0.00 174.62 174.33 2xhd s VAL 6 N 2.40 4.48 -0.37 3.82 1.01 0.51 -4.86 120.40 127.39 2xhd s VAL 6 Ca 0.38 1.78 -0.23 0.00 0.00 0.00 0.00 61.98 63.91 2xhd s VAL 6 Cb -0.16 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.09 2xhd s VAL 6 CO 0.11 0.05 0.78 -0.69 0.00 0.00 0.00 175.10 175.35 2xhd s VAL 7 N 1.70 4.73 -0.30 2.92 1.01 -1.26 -0.86 120.40 128.34 2xhd s VAL 7 Ca 0.54 0.83 -0.11 0.00 0.00 0.00 0.00 61.98 63.24 2xhd s VAL 7 Cb -0.23 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 2xhd s VAL 7 CO 0.23 -0.45 0.20 -0.69 0.00 0.00 0.00 175.10 174.39 2xhd s VAL 8 N 3.10 5.14 0.04 2.92 1.01 -0.34 -0.66 120.40 131.62 2xhd s VAL 8 Ca 0.31 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 62.01 2xhd s VAL 8 Cb -0.13 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 2xhd s VAL 8 CO 0.17 0.14 0.62 0.28 0.00 0.00 0.00 175.10 176.31 2xhd s THR 9 N 1.72 4.79 0.32 3.92 -1.32 0.38 -0.35 115.64 125.09 2xhd s THR 9 Ca 0.06 1.32 -0.01 0.00 -1.21 0.00 0.00 61.69 61.85 2xhd s THR 9 Cb -0.17 -3.96 0.00 0.00 -1.51 0.00 0.00 72.50 66.87 2xhd s THR 9 CO 0.10 0.47 0.42 1.07 -2.21 0.00 0.00 174.62 174.47 2xhd n THR 10 N 2.31 0.00 -4.28 5.08 5.66 -0.17 -2.22 114.28 120.65 2xhd n THR 10 Ca -0.07 -1.68 -0.17 0.00 -3.05 0.00 0.00 64.05 59.07 2xhd n THR 10 Cb 0.51 1.01 -0.14 0.00 -1.55 0.00 0.00 70.33 70.15 2xhd n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 2xhd s ILE 11 N -2.83 0.66 -0.57 1.09 2.07 -1.26 -0.37 121.20 119.99 2xhd s ILE 11 Ca 0.27 -0.48 -0.27 0.00 -1.41 0.00 0.00 60.65 58.76 2xhd s ILE 11 Cb -0.01 -0.58 -0.00 0.00 0.13 0.00 0.00 42.46 42.00 2xhd s ILE 11 CO 0.20 0.10 1.64 -0.76 -1.91 0.00 0.00 174.94 174.20 2xhd s LEU 12 N -0.43 3.34 -0.23 8.50 1.43 -1.26 -4.29 118.68 125.75 2xhd s LEU 12 Ca 0.02 0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 53.44 2xhd s LEU 12 Cb -0.04 -2.84 0.12 0.00 0.03 0.00 0.00 46.19 43.46 2xhd s LEU 12 CO -0.00 -2.00 0.40 -0.70 0.23 0.00 0.00 176.35 174.28 2xhd s GLU 13 N 6.20 0.35 0.28 1.70 2.56 -0.88 -4.99 118.70 123.91 2xhd s GLU 13 Ca 0.60 0.73 -0.29 0.00 0.00 0.00 0.00 54.97 56.01 2xhd s GLU 13 Cb -0.13 -0.15 -0.10 0.00 2.00 0.00 0.00 34.13 35.75 2xhd s GLU 13 CO 0.23 -0.51 1.10 -1.12 -0.56 0.00 0.00 175.26 174.41 2xhd s SER 14 N 2.58 7.26 -0.37 -1.70 0.01 -1.26 -0.22 113.70 120.00 2xhd s SER 14 Ca 0.08 2.28 0.08 0.00 1.31 0.00 0.00 55.95 59.70 2xhd s SER 14 Cb -0.14 -2.63 0.73 0.00 0.21 0.00 0.00 66.02 64.19 2xhd s SER 14 CO -0.15 -0.15 1.86 -0.81 0.41 0.00 0.00 173.24 174.39 2xhd n PRO 15 N 1.22 3.27 0.02 12.44 -0.04 -1.26 -4.92 135.00 145.73 2xhd n PRO 15 Ca -0.01 -3.07 -0.12 0.00 -0.04 0.00 0.00 63.50 60.27 2xhd n PRO 15 Cb 0.45 -2.21 -0.09 0.00 -0.04 0.00 0.00 33.50 31.60 2xhd n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2xhd h TYR 16 N 2.15 -0.12 -3.41 0.54 0.05 -0.93 0.08 116.97 115.32 2xhd h TYR 16 Ca 0.39 -0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.86 2xhd h TYR 16 Cb 2.54 0.04 -0.35 0.00 1.01 0.00 0.00 36.73 39.97 2xhd h TYR 16 CO 1.41 0.39 -0.72 0.08 -1.05 0.00 0.00 178.16 178.27 2xhd s VAL 17 N -3.48 -0.08 0.03 -2.88 1.01 -0.50 -0.28 120.40 114.22 2xhd s VAL 17 Ca -0.14 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.13 2xhd s VAL 17 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.23 2xhd s VAL 17 CO 0.55 0.12 -0.05 -0.04 0.00 0.00 0.00 175.10 175.68 2xhd s MET 18 N 1.47 0.41 -0.04 2.72 -1.94 0.87 -2.08 119.30 120.72 2xhd s MET 18 Ca -0.04 -0.73 -0.30 0.00 -1.71 0.00 0.00 55.69 52.91 2xhd s MET 18 Cb -0.13 -0.01 -0.04 0.00 2.01 0.00 0.00 34.83 36.67 2xhd s MET 18 CO -0.03 -0.02 1.24 -1.64 -0.01 0.00 0.00 175.02 174.55 2xhd s MET 19 N -1.77 4.34 0.84 2.03 -1.94 -1.26 -0.88 119.30 120.66 2xhd s MET 19 Ca -0.12 1.73 -0.11 0.00 -1.71 0.00 0.00 55.69 55.49 2xhd s MET 19 Cb -0.08 -3.54 0.10 0.00 2.01 0.00 0.00 34.83 33.31 2xhd s MET 19 CO -0.01 -0.46 1.14 0.15 -0.01 0.00 0.00 175.02 175.83 2xhd s LYS 20 N 2.16 1.61 0.38 2.03 1.02 -0.38 -4.89 119.74 121.67 2xhd s LYS 20 Ca 0.58 1.46 -0.28 0.00 0.02 0.00 0.00 55.97 57.75 2xhd s LYS 20 Cb -0.26 -1.80 -0.11 0.00 -0.52 0.00 0.00 37.83 35.13 2xhd s LYS 20 CO 0.23 -2.18 1.40 1.63 -0.92 0.00 0.00 175.35 175.52 2xhd n LYS 21 N -3.74 2.41 -2.10 1.68 4.76 -1.26 -2.38 118.16 117.53 2xhd n LYS 21 Ca 0.11 0.85 -0.20 0.00 -2.87 0.00 0.00 58.31 56.20 2xhd n LYS 21 Cb 0.52 -2.54 -0.04 0.00 -1.84 0.00 0.00 35.03 31.14 2xhd n LYS 21 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2xhd n ASN 22 N 0.48 -5.48 0.29 4.39 3.02 -1.26 -4.86 115.26 111.83 2xhd n ASN 22 Ca 0.03 0.19 0.19 0.00 -0.03 0.00 0.00 54.58 54.95 2xhd n ASN 22 Cb 0.38 -4.68 0.98 0.00 -0.61 0.00 0.00 39.78 35.85 2xhd n ASN 22 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 2xhd h HIS 23 N 0.00 0.00 0.00 3.10 2.07 -1.80 -2.63 115.15 115.89 2xhd h HIS 23 Ca -0.44 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.07 2xhd h HIS 23 Cb 1.32 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.30 2xhd h HIS 23 CO 0.57 0.00 -0.04 0.93 -3.07 0.00 0.00 177.93 176.32 2xhd h GLU 24 N 0.00 0.00 -0.33 5.12 5.08 -1.89 -0.88 114.58 121.68 2xhd h GLU 24 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2xhd h GLU 24 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2xhd h GLU 24 CO -0.00 0.04 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 2xhd n MET 25 N -3.64 2.33 -3.28 2.33 0.00 -0.99 -4.97 117.12 108.90 2xhd n MET 25 Ca -0.02 -2.13 -0.20 0.00 0.00 0.00 0.00 57.70 55.34 2xhd n MET 25 Cb 0.14 -1.45 0.00 0.00 0.00 0.00 0.00 33.22 31.91 2xhd n MET 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2xhd s LEU 26 N -1.38 3.84 0.05 3.17 1.43 -0.33 -5.13 118.68 120.32 2xhd s LEU 26 Ca 0.34 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 2xhd s LEU 26 Cb 0.20 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 2xhd s LEU 26 CO 0.28 -0.55 -0.06 -1.83 0.23 0.00 0.00 176.35 174.42 2xhd s GLU 27 N -4.32 0.54 5.32 1.70 4.04 -1.26 -4.85 118.70 119.86 2xhd s GLU 27 Ca 0.47 -0.86 0.00 0.00 0.04 0.00 0.00 54.97 54.62 2xhd s GLU 27 Cb -0.10 -0.16 0.00 0.00 0.02 0.00 0.00 34.13 33.89 2xhd s GLU 27 CO 0.34 0.01 0.00 0.41 -1.84 0.00 0.00 175.26 174.17 2xhd n GLY 28 N 1.14 2.77 0.26 -3.83 0.00 -1.26 -2.71 105.19 101.55 2xhd n GLY 28 Ca -0.21 -0.36 0.17 0.00 0.00 0.00 0.00 46.02 45.62 2xhd n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2xhd h ASN 29 N 8.94 0.00 0.69 1.61 2.35 -1.93 -2.60 115.58 124.64 2xhd h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2xhd h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2xhd h ASN 29 CO 0.00 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.16 2xhd n GLU 30 N -2.83 0.07 0.23 0.81 -0.58 -1.10 -2.76 120.64 114.48 2xhd n GLU 30 Ca -0.00 0.27 0.11 0.00 -0.42 0.00 0.00 57.16 57.11 2xhd n GLU 30 Cb 0.19 -1.63 0.54 0.00 -0.57 0.00 0.00 31.44 29.97 2xhd n GLU 30 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2xhd h ARG 31 N 0.00 0.00 -6.57 3.49 3.08 -1.59 -3.46 114.38 109.33 2xhd h ARG 31 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 2xhd h ARG 31 Cb 0.35 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.24 2xhd h ARG 31 CO 0.00 0.20 -0.75 0.71 -1.07 0.00 0.00 179.97 179.06 2xhd s TYR 32 N -3.82 2.64 0.07 3.04 2.02 -1.11 -1.24 117.35 118.93 2xhd s TYR 32 Ca -0.01 -0.21 -0.04 0.00 -0.37 0.00 0.00 57.07 56.44 2xhd s TYR 32 Cb 0.11 -1.35 -0.02 0.00 -0.40 0.00 0.00 41.96 40.30 2xhd s TYR 32 CO 0.62 0.45 0.06 -1.83 -1.57 0.00 0.00 175.55 173.28 2xhd s GLU 33 N -2.42 0.70 0.00 -0.62 -1.05 -0.06 -4.83 118.70 110.42 2xhd s GLU 33 Ca 0.22 -1.10 0.00 0.00 -0.15 0.00 0.00 54.97 53.94 2xhd s GLU 33 Cb -0.10 0.26 0.00 0.00 -0.44 0.00 0.00 34.13 33.85 2xhd s GLU 33 CO 0.13 -0.17 0.00 0.41 0.95 0.00 0.00 175.26 176.58 2xhd n GLY 34 N 0.06 1.90 0.19 -3.83 0.00 -1.26 -0.09 105.19 102.16 2xhd n GLY 34 Ca -0.15 -1.87 -0.04 0.00 0.00 0.00 0.00 46.02 43.96 2xhd n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2xhd h TYR 35 N 0.00 0.23 0.00 1.61 5.03 -0.37 -0.75 116.97 122.71 2xhd h TYR 35 Ca 0.00 0.03 -0.11 0.00 2.58 0.00 0.00 58.73 61.23 2xhd h TYR 35 Cb 0.00 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.23 2xhd h TYR 35 CO 0.00 0.06 -0.50 0.00 -1.32 0.00 0.00 178.16 176.39 2xhd h VAL 37 N 0.00 1.22 -0.67 0.00 2.07 -1.41 0.42 116.25 117.87 2xhd h VAL 37 Ca -0.01 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 2xhd h VAL 37 Cb 1.11 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 2xhd h VAL 37 CO 0.07 0.22 0.25 0.44 0.02 0.00 0.00 177.57 178.57 2xhd h ASP 38 N 0.08 0.94 -0.32 0.57 3.45 -0.98 -2.41 116.42 117.75 2xhd h ASP 38 Ca 0.05 -0.18 -0.01 0.00 0.43 0.00 0.00 57.03 57.32 2xhd h ASP 38 Cb 0.31 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.82 2xhd h ASP 38 CO 0.00 0.87 0.17 0.25 -1.57 0.00 0.00 179.24 178.96 2xhd h LEU 39 N 0.96 0.41 -0.74 1.55 5.85 -0.78 -1.81 115.31 120.75 2xhd h LEU 39 Ca 0.22 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.90 2xhd h LEU 39 Cb 0.23 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 2xhd h LEU 39 CO -0.02 0.39 0.43 0.00 -0.34 0.00 0.00 178.44 178.91 2xhd h ALA 40 N 1.03 1.00 -0.35 1.25 0.00 -0.81 0.52 119.26 121.90 2xhd h ALA 40 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2xhd h ALA 40 Cb 0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2xhd h ALA 40 CO -0.02 0.14 0.16 0.00 0.00 0.00 0.00 179.25 179.54 2xhd h ALA 41 N 1.36 0.42 -0.27 0.00 0.00 -1.12 -0.62 119.26 119.04 2xhd h ALA 41 Ca 0.32 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2xhd h ALA 41 Cb 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2xhd h ALA 41 CO -0.17 -0.21 0.12 0.93 0.00 0.00 0.00 179.25 179.91 2xhd h GLU 42 N 0.34 0.40 -0.16 0.00 4.39 -0.68 -1.47 114.58 117.40 2xhd h GLU 42 Ca 0.15 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.79 2xhd h GLU 42 Cb 0.07 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2xhd h GLU 42 CO -0.11 0.42 0.07 0.82 -1.16 0.00 0.00 179.01 179.04 2xhd h ILE 43 N 0.29 0.98 -0.81 3.13 1.08 -0.80 -1.84 117.51 119.55 2xhd h ILE 43 Ca 0.09 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 2xhd h ILE 43 Cb 0.16 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 34.68 2xhd h ILE 43 CO -0.01 0.03 0.51 0.00 -0.69 0.00 0.00 178.15 177.99 2xhd h ALA 44 N 1.09 1.37 -0.31 1.87 0.00 -1.02 0.43 119.26 122.69 2xhd h ALA 44 Ca 0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2xhd h ALA 44 Cb 0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2xhd h ALA 44 CO -0.06 0.56 0.02 -0.22 0.00 0.00 0.00 179.25 179.55 2xhd h LYS 45 N 1.11 0.54 0.00 0.00 3.64 -1.02 0.29 116.57 121.13 2xhd h LYS 45 Ca 0.29 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 2xhd h LYS 45 Cb -0.08 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 2xhd h LYS 45 CO -0.06 0.66 -0.59 0.45 -2.27 0.00 0.00 179.45 177.65 2xhd h HIS 46 N 0.35 0.00 0.00 1.91 3.86 -0.95 -3.17 115.15 117.15 2xhd h HIS 46 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2xhd h HIS 46 Cb 0.41 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.88 2xhd h HIS 46 CO 0.03 0.59 -0.99 0.00 0.86 0.00 0.00 177.93 178.42 2xhd n GLY 48 N 1.37 0.09 3.22 0.00 0.00 0.95 -5.05 105.19 105.78 2xhd n GLY 48 Ca 0.02 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 2xhd n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2xhd s PHE 49 N -3.17 1.39 0.22 1.61 -0.12 -0.83 -5.05 117.98 112.02 2xhd s PHE 49 Ca 0.07 -0.49 -0.13 0.00 -0.05 0.00 0.00 56.93 56.33 2xhd s PHE 49 Cb -0.03 -0.75 -0.07 0.00 -0.63 0.00 0.00 43.02 41.53 2xhd s PHE 49 CO 0.35 0.12 0.60 0.15 -0.05 0.00 0.00 175.22 176.39 2xhd s LYS 50 N -2.11 3.94 0.06 1.99 1.02 -1.26 -4.68 119.74 118.70 2xhd s LYS 50 Ca 0.03 0.47 -0.06 0.00 0.02 0.00 0.00 55.97 56.44 2xhd s LYS 50 Cb -0.08 -2.73 -0.01 0.00 -0.52 0.00 0.00 37.83 34.49 2xhd s LYS 50 CO 0.03 0.35 0.10 1.52 -0.92 0.00 0.00 175.35 176.43 2xhd s TYR 51 N -1.70 0.26 -0.16 3.18 1.13 -1.26 -0.36 117.35 118.44 2xhd s TYR 51 Ca 0.45 -0.68 0.00 0.00 -1.41 0.00 0.00 57.07 55.43 2xhd s TYR 51 Cb -0.13 -0.17 0.03 0.00 -1.10 0.00 0.00 41.96 40.59 2xhd s TYR 51 CO 0.20 -0.44 -0.13 0.21 -2.51 0.00 0.00 175.55 172.88 2xhd s LYS 52 N -3.47 2.20 0.09 -3.49 2.20 -0.04 -4.88 119.74 112.35 2xhd s LYS 52 Ca 0.02 -0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 54.68 2xhd s LYS 52 Cb 0.04 -2.20 -0.06 0.00 -1.51 0.00 0.00 37.83 34.09 2xhd s LYS 52 CO -0.09 -0.30 1.19 -0.51 -0.36 0.00 0.00 175.35 175.28 2xhd s LEU 53 N 1.46 4.39 -0.03 5.43 1.43 -1.26 -1.20 118.68 128.91 2xhd s LEU 53 Ca 0.03 2.06 0.02 0.00 -1.03 0.00 0.00 54.13 55.21 2xhd s LEU 53 Cb -0.14 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.50 2xhd s LEU 53 CO -0.10 -0.43 -0.08 0.42 0.23 0.00 0.00 176.35 176.39 2xhd s THR 54 N 0.76 0.73 -0.07 5.49 -4.23 0.53 -4.84 115.64 114.00 2xhd s THR 54 Ca 0.57 -0.33 -0.27 0.00 -1.18 0.00 0.00 61.69 60.48 2xhd s THR 54 Cb -0.30 -0.66 -0.03 0.00 1.34 0.00 0.00 72.50 72.86 2xhd s THR 54 CO 0.31 0.23 0.87 -0.63 -0.54 0.00 0.00 174.62 174.87 2xhd s ILE 55 N 0.23 4.91 -0.10 2.99 -1.09 -1.26 -1.00 121.20 125.88 2xhd s ILE 55 Ca -0.03 1.80 -0.39 0.00 -2.23 0.00 0.00 60.65 59.79 2xhd s ILE 55 Cb -0.08 -4.20 -0.17 0.00 -1.58 0.00 0.00 42.46 36.42 2xhd s ILE 55 CO 0.00 0.13 1.47 0.55 -1.23 0.00 0.00 174.94 175.87 2xhd n VAL 56 N 4.14 0.11 -0.27 2.92 3.14 0.50 -4.86 118.33 124.01 2xhd n VAL 56 Ca 0.04 -0.02 0.06 0.00 -2.96 0.00 0.00 64.34 61.46 2xhd n VAL 56 Cb 0.50 -0.84 0.20 0.00 -1.06 0.00 0.00 33.84 32.64 2xhd n VAL 56 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 2xhd h GLY 57 N 5.36 1.21 -1.98 7.55 0.00 -1.93 -1.92 103.07 111.36 2xhd h GLY 57 Ca -0.47 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2xhd h GLY 57 CO 0.84 -0.11 0.00 2.09 0.00 0.00 0.00 176.54 179.37 2xhd n ASP 58 N -4.99 3.06 -1.75 0.19 3.85 -1.26 -4.97 116.55 110.67 2xhd n ASP 58 Ca 0.15 -1.94 -0.18 0.00 -0.71 0.00 0.00 54.79 52.12 2xhd n ASP 58 Cb 0.44 -0.21 -0.04 0.00 -1.35 0.00 0.00 41.12 39.97 2xhd n ASP 58 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2xhd n GLY 59 N 1.42 0.50 3.55 6.12 0.00 -0.72 -4.97 105.19 111.09 2xhd n GLY 59 Ca 0.18 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 2xhd n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xhd s LYS 60 N -4.32 1.96 -0.07 1.61 1.02 -1.26 -4.95 119.74 113.73 2xhd s LYS 60 Ca 0.00 -1.53 -0.15 0.00 0.02 0.00 0.00 55.97 54.31 2xhd s LYS 60 Cb 0.00 -1.99 -0.11 0.00 -0.52 0.00 0.00 37.83 35.21 2xhd s LYS 60 CO 0.00 0.37 0.55 1.88 -0.92 0.00 0.00 175.35 177.23 2xhd h TYR 61 N 2.30 -0.18 0.00 3.18 -1.99 -1.88 -2.34 116.97 116.07 2xhd h TYR 61 Ca -0.43 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.29 2xhd h TYR 61 Cb 1.24 0.06 0.00 0.00 2.00 0.00 0.00 36.73 40.03 2xhd h TYR 61 CO 0.73 0.15 0.00 0.41 -0.00 0.00 0.00 178.16 179.44 2xhd n GLY 62 N 1.03 2.90 3.03 3.88 0.00 -0.85 -1.26 105.19 113.93 2xhd n GLY 62 Ca -0.06 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 2xhd n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xhd s ALA 63 N 0.00 0.25 -0.24 4.61 0.00 -1.25 -4.63 121.76 120.49 2xhd s ALA 63 Ca 0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 51.96 51.03 2xhd s ALA 63 Cb 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 2xhd s ALA 63 CO 0.00 -0.25 0.22 0.50 0.00 0.00 0.00 175.76 176.23 2xhd s ARG 64 N -2.48 4.06 0.22 0.00 3.52 -1.26 -1.75 118.95 121.26 2xhd s ARG 64 Ca -0.06 -0.18 -0.31 0.00 -0.13 0.00 0.00 55.73 55.04 2xhd s ARG 64 Cb -0.02 -3.57 -0.11 0.00 -1.56 0.00 0.00 34.95 29.69 2xhd s ARG 64 CO -0.05 -0.02 1.65 0.34 -0.81 0.00 0.00 175.30 176.41 2xhd s ASP 65 N 1.21 6.44 0.24 -2.12 2.15 -0.65 -4.90 116.67 119.03 2xhd s ASP 65 Ca 0.10 2.82 -0.05 0.00 0.43 0.00 0.00 52.55 55.84 2xhd s ASP 65 Cb -0.14 -2.61 0.24 0.00 -0.30 0.00 0.00 42.92 40.11 2xhd s ASP 65 CO 0.06 -0.91 1.80 0.00 -0.17 0.00 0.00 175.17 175.95 2xhd h ALA 66 N 6.28 1.10 0.25 3.66 0.00 -1.97 0.64 119.26 129.23 2xhd h ALA 66 Ca -0.44 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 2xhd h ALA 66 Cb 1.21 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2xhd h ALA 66 CO 0.90 0.63 -0.12 -0.44 0.00 0.00 0.00 179.25 180.22 2xhd h ASP 67 N 1.04 -0.28 1.32 0.00 5.19 -1.99 -3.39 116.42 118.32 2xhd h ASP 67 Ca 0.24 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.64 2xhd h ASP 67 Cb 0.24 0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.82 2xhd h ASP 67 CO -0.01 0.06 -0.68 0.71 -3.12 0.00 0.00 179.24 176.19 2xhd h THR 68 N -0.86 0.09 -1.20 0.35 1.35 -1.98 -3.48 112.91 107.19 2xhd h THR 68 Ca -0.03 -1.15 -0.31 0.00 -0.55 0.00 0.00 66.41 64.37 2xhd h THR 68 Cb 0.25 1.76 -0.09 0.00 -1.73 0.00 0.00 68.15 68.35 2xhd h THR 68 CO 0.06 0.05 -0.32 0.29 -0.25 0.00 0.00 175.52 175.35 2xhd n LYS 69 N -2.86 -1.10 -3.25 4.72 5.02 0.22 -5.00 118.16 115.91 2xhd n LYS 69 Ca 0.01 0.93 -0.39 0.00 -2.02 0.00 0.00 58.31 56.84 2xhd n LYS 69 Cb 0.58 -5.13 -0.06 0.00 -0.02 0.00 0.00 35.03 30.40 2xhd n LYS 69 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2xhd s ILE 70 N -2.62 4.98 0.09 -0.18 1.01 -1.26 -4.74 121.20 118.48 2xhd s ILE 70 Ca 0.00 1.15 -0.26 0.00 0.00 0.00 0.00 60.65 61.54 2xhd s ILE 70 Cb 0.00 -3.89 -0.06 0.00 0.01 0.00 0.00 42.46 38.52 2xhd s ILE 70 CO 0.00 0.41 0.82 0.26 0.00 0.00 0.00 174.94 176.43 2xhd s TRP 71 N -0.08 3.80 0.09 3.97 0.52 -1.26 -1.63 118.94 124.35 2xhd s TRP 71 Ca 0.29 1.60 0.01 0.00 0.02 0.00 0.00 56.10 58.02 2xhd s TRP 71 Cb -0.17 -2.87 0.01 0.00 -1.15 0.00 0.00 33.47 29.29 2xhd s TRP 71 CO 0.15 0.32 0.08 0.27 0.02 0.00 0.00 176.95 177.79 2xhd n ASN 72 N 2.47 1.03 0.00 2.95 0.23 -0.72 -4.28 115.26 116.94 2xhd n ASN 72 Ca -0.02 -1.28 0.00 0.00 -0.53 0.00 0.00 54.58 52.75 2xhd n ASN 72 Cb 0.49 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 2xhd n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2xhd n GLY 73 N 3.96 0.64 0.37 4.83 0.00 -1.26 -0.79 105.19 112.93 2xhd n GLY 73 Ca 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 46.02 45.13 2xhd n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2xhd h MET 74 N 0.00 1.19 -0.35 1.61 2.86 -0.60 -1.99 114.93 117.65 2xhd h MET 74 Ca 0.00 -0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.61 2xhd h MET 74 Cb 0.00 -0.27 -0.04 0.00 0.06 0.00 0.00 31.60 31.36 2xhd h MET 74 CO 0.00 0.79 0.13 0.28 1.06 0.00 0.00 176.91 179.17 2xhd h VAL 75 N 1.22 0.92 -0.54 -2.22 2.07 -1.55 -2.10 116.25 114.04 2xhd h VAL 75 Ca 0.34 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.83 2xhd h VAL 75 Cb -0.13 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.19 2xhd h VAL 75 CO -0.08 0.05 0.22 1.23 0.02 0.00 0.00 177.57 179.01 2xhd h GLY 76 N 0.29 0.75 1.75 2.17 0.00 -0.48 -0.71 103.07 106.83 2xhd h GLY 76 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2xhd h GLY 76 CO -0.15 0.03 0.10 0.83 0.00 0.00 0.00 176.54 177.34 2xhd h GLU 77 N 0.41 0.33 -0.01 4.80 5.08 -0.78 -0.52 114.58 123.89 2xhd h GLU 77 Ca 0.26 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.52 2xhd h GLU 77 Cb 0.27 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2xhd h GLU 77 CO -0.24 0.28 -0.25 -0.07 -1.00 0.00 0.00 179.01 177.72 2xhd h LEU 78 N 0.33 0.25 -0.92 1.33 3.38 -0.92 0.24 115.31 119.00 2xhd h LEU 78 Ca 0.08 -0.74 0.09 0.00 0.09 0.00 0.00 57.88 57.41 2xhd h LEU 78 Cb 0.07 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 2xhd h LEU 78 CO -0.01 0.95 0.56 0.58 0.09 0.00 0.00 178.44 180.62 2xhd h VAL 79 N -0.44 0.96 -0.17 1.22 2.07 -0.67 -2.74 116.25 116.48 2xhd h VAL 79 Ca -0.03 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2xhd h VAL 79 Cb 0.98 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2xhd h VAL 79 CO 0.05 0.17 0.00 -1.22 0.02 0.00 0.00 177.57 176.59 2xhd n TYR 80 N -4.64 0.20 -0.90 1.57 4.01 -0.24 -4.96 117.16 112.20 2xhd n TYR 80 Ca 0.15 -0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 2xhd n TYR 80 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 2xhd n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2xhd n GLY 81 N 1.35 0.46 0.19 2.72 0.00 -1.04 -4.94 105.19 103.93 2xhd n GLY 81 Ca 0.17 -0.88 0.09 0.00 0.00 0.00 0.00 46.02 45.40 2xhd n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2xhd h LYS 82 N 0.14 0.00 -4.19 1.61 1.79 -0.83 -3.46 116.57 111.63 2xhd h LYS 82 Ca 0.00 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 2xhd h LYS 82 Cb 0.00 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 30.49 2xhd h LYS 82 CO 0.00 0.15 -0.69 0.00 -1.08 0.00 0.00 179.45 177.84 2xhd s ALA 83 N -3.14 0.42 -0.12 3.86 0.00 -0.70 -5.00 121.76 117.09 2xhd s ALA 83 Ca 0.06 -1.06 0.20 0.00 0.00 0.00 0.00 51.96 51.16 2xhd s ALA 83 Cb 0.06 0.24 -0.21 0.00 0.00 0.00 0.00 23.12 23.21 2xhd s ALA 83 CO 0.70 -0.32 0.61 -0.25 0.00 0.00 0.00 175.76 176.50 2xhd n ASP 84 N 0.47 0.36 -3.58 0.00 8.00 0.17 -4.46 116.55 117.51 2xhd n ASP 84 Ca -0.16 0.15 -0.14 0.00 0.71 0.00 0.00 54.79 55.34 2xhd n ASP 84 Cb 0.60 1.12 -0.06 0.00 -0.02 0.00 0.00 41.12 42.75 2xhd n ASP 84 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2xhd s ILE 85 N -3.19 0.00 -0.20 0.53 2.07 -1.07 -4.21 121.20 115.12 2xhd s ILE 85 Ca -0.06 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.15 2xhd s ILE 85 Cb 0.11 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.69 2xhd s ILE 85 CO 0.85 0.00 -0.06 0.00 -1.91 0.00 0.00 174.94 173.82 2xhd s ALA 86 N -0.48 2.77 -0.34 1.50 0.00 0.20 -0.47 121.76 124.94 2xhd s ALA 86 Ca -0.04 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.83 2xhd s ALA 86 Cb -0.02 -1.60 0.10 0.00 0.00 0.00 0.00 23.12 21.59 2xhd s ALA 86 CO 0.04 -0.31 0.07 0.42 0.00 0.00 0.00 175.76 175.98 2xhd s ILE 87 N 1.27 2.00 0.11 0.00 1.01 -0.94 -2.12 121.20 122.53 2xhd s ILE 87 Ca 0.03 -2.19 -0.26 0.00 0.00 0.00 0.00 60.65 58.23 2xhd s ILE 87 Cb -0.14 -2.48 0.08 0.00 0.01 0.00 0.00 42.46 39.92 2xhd s ILE 87 CO -0.03 -0.62 1.00 0.00 0.00 0.00 0.00 174.94 175.29 2xhd s ALA 88 N 1.00 -1.76 -1.04 9.38 0.00 -1.26 -4.63 121.76 123.46 2xhd s ALA 88 Ca 0.11 0.30 -0.14 0.00 0.00 0.00 0.00 51.96 52.23 2xhd s ALA 88 Cb -0.19 0.57 -0.08 0.00 0.00 0.00 0.00 23.12 23.42 2xhd s ALA 88 CO -0.11 -1.01 2.16 -0.35 0.00 0.00 0.00 175.76 176.45 2xhd n PRO 89 N -0.45 2.18 -3.56 0.00 -0.04 -1.26 -4.70 135.00 127.17 2xhd n PRO 89 Ca -0.07 -1.89 -0.40 0.00 -0.04 0.00 0.00 63.50 61.10 2xhd n PRO 89 Cb 0.61 -2.82 -0.11 0.00 -0.04 0.00 0.00 33.50 31.14 2xhd n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2xhd s LEU 90 N 0.90 4.42 0.19 1.53 2.96 -1.26 -5.02 118.68 122.40 2xhd s LEU 90 Ca 0.51 -0.45 -0.30 0.00 -0.22 0.00 0.00 54.13 53.67 2xhd s LEU 90 Cb 0.13 -2.10 -0.09 0.00 0.50 0.00 0.00 46.19 44.64 2xhd s LEU 90 CO 0.01 -0.23 1.30 -0.89 -1.32 0.00 0.00 176.35 175.22 2xhd s THR 91 N 1.69 3.27 -0.26 3.68 2.01 -1.26 -1.89 115.64 122.89 2xhd s THR 91 Ca 0.06 1.04 -0.29 0.00 0.31 0.00 0.00 61.69 62.81 2xhd s THR 91 Cb -0.17 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 2xhd s THR 91 CO 0.09 0.15 1.36 -0.63 -0.69 0.00 0.00 174.62 174.91 2xhd s ILE 92 N 0.16 4.07 0.11 1.82 1.01 -0.41 -4.88 121.20 123.08 2xhd s ILE 92 Ca 0.57 1.22 0.03 0.00 0.00 0.00 0.00 60.65 62.47 2xhd s ILE 92 Cb -0.36 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 2xhd s ILE 92 CO 0.37 -0.37 -0.09 0.42 0.00 0.00 0.00 174.94 175.27 2xhd s THR 93 N 4.38 0.90 0.08 2.92 -4.23 -1.26 -4.77 115.64 113.66 2xhd s THR 93 Ca 0.59 -1.84 -0.26 0.00 -1.18 0.00 0.00 61.69 59.00 2xhd s THR 93 Cb -0.19 -1.58 -0.16 0.00 1.34 0.00 0.00 72.50 71.90 2xhd s THR 93 CO 0.23 -0.72 1.70 0.25 -0.54 0.00 0.00 174.62 175.54 2xhd h LEU 94 N 3.17 -0.28 -1.58 4.79 5.85 -1.98 0.03 115.31 125.30 2xhd h LEU 94 Ca -0.36 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.39 2xhd h LEU 94 Cb 1.18 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 2xhd h LEU 94 CO 0.60 -0.20 0.31 -0.37 -0.34 0.00 0.00 178.44 178.44 2xhd h VAL 95 N -0.32 1.07 -0.09 1.05 -1.51 -2.00 -1.90 116.25 112.55 2xhd h VAL 95 Ca -0.03 -0.19 -0.21 0.00 -1.23 0.00 0.00 66.70 65.04 2xhd h VAL 95 Cb 0.25 0.47 0.01 0.00 -2.13 0.00 0.00 31.29 29.89 2xhd h VAL 95 CO 0.05 0.10 -0.76 0.03 -1.23 0.00 0.00 177.57 175.76 2xhd h ARG 96 N 0.55 0.67 0.00 5.19 3.08 -1.90 -3.16 114.38 118.81 2xhd h ARG 96 Ca 0.18 -0.60 -0.00 0.00 0.07 0.00 0.00 59.98 59.63 2xhd h ARG 96 Cb 0.05 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 2xhd h ARG 96 CO -0.04 1.21 -0.00 1.49 -1.07 0.00 0.00 179.97 181.55 2xhd h GLU 97 N 0.33 0.00 0.00 0.04 4.57 -0.38 0.83 114.58 119.97 2xhd h GLU 97 Ca -0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2xhd h GLU 97 Cb 1.41 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.00 2xhd h GLU 97 CO 0.15 0.00 0.00 0.93 -1.18 0.00 0.00 179.01 178.92 2xhd h GLU 98 N 0.00 0.00 0.00 1.92 5.08 -1.33 -3.37 114.58 116.88 2xhd h GLU 98 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2xhd h GLU 98 Cb 0.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2xhd h GLU 98 CO 0.00 0.00 -1.05 1.33 -1.00 0.00 0.00 179.01 178.29 2xhd n VAL 99 N -3.09 0.02 -4.36 3.13 0.24 -0.39 -5.07 118.33 108.81 2xhd n VAL 99 Ca 0.03 -0.03 -0.18 0.00 -2.04 0.00 0.00 64.34 62.12 2xhd n VAL 99 Cb 0.44 0.05 -0.10 0.00 -1.47 0.00 0.00 33.84 32.76 2xhd n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2xhd s ILE 100 N -2.05 0.69 -0.06 1.34 -4.36 0.15 -4.35 121.20 112.55 2xhd s ILE 100 Ca -0.00 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.37 2xhd s ILE 100 Cb 0.00 -2.65 -0.03 0.00 1.25 0.00 0.00 42.46 41.03 2xhd s ILE 100 CO 0.04 0.00 0.02 -1.81 0.24 0.00 0.00 174.94 173.43 2xhd s ASP 101 N -3.38 5.34 -0.04 4.36 1.01 -0.30 -4.18 116.67 119.49 2xhd s ASP 101 Ca 0.37 0.13 0.03 0.00 0.71 0.00 0.00 52.55 53.79 2xhd s ASP 101 Cb 0.07 -1.50 -0.03 0.00 1.01 0.00 0.00 42.92 42.48 2xhd s ASP 101 CO 0.15 0.35 -0.10 -0.36 0.21 0.00 0.00 175.17 175.41 2xhd s PHE 102 N -0.97 2.81 1.03 4.23 0.08 -1.26 -1.12 117.98 122.78 2xhd s PHE 102 Ca 0.16 -0.08 -0.12 0.00 0.12 0.00 0.00 56.93 57.01 2xhd s PHE 102 Cb -0.11 -1.64 0.21 0.00 -0.57 0.00 0.00 43.02 40.90 2xhd s PHE 102 CO 0.05 0.28 1.08 -1.54 -0.10 0.00 0.00 175.22 174.99 2xhd s SER 103 N -0.93 2.24 0.56 1.36 1.04 0.22 -4.94 113.70 113.24 2xhd s SER 103 Ca 0.13 1.34 -0.20 0.00 0.48 0.00 0.00 55.95 57.70 2xhd s SER 103 Cb -0.11 -2.04 -0.06 0.00 0.10 0.00 0.00 66.02 63.91 2xhd s SER 103 CO 0.02 -3.39 1.02 0.29 0.98 0.00 0.00 173.24 172.16 2xhd n LYS 104 N -4.36 1.08 -2.15 4.02 4.76 -1.26 -4.55 118.16 115.70 2xhd n LYS 104 Ca 0.05 0.41 -0.41 0.00 -2.87 0.00 0.00 58.31 55.49 2xhd n LYS 104 Cb 0.56 -2.19 -0.02 0.00 -1.84 0.00 0.00 35.03 31.53 2xhd n LYS 104 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2xhd s PRO 105 N -2.63 4.38 0.00 1.97 0.04 -1.26 -4.62 135.00 132.88 2xhd s PRO 105 Ca 0.73 2.18 0.22 0.00 0.04 0.00 0.00 61.00 64.17 2xhd s PRO 105 Cb -0.44 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.97 2xhd s PRO 105 CO 0.49 -0.16 1.01 1.97 0.04 0.00 0.00 177.00 180.35 2xhd n PHE 106 N 0.95 0.02 -3.68 0.56 1.16 -0.11 -4.95 117.46 111.41 2xhd n PHE 106 Ca 0.00 0.01 -0.14 0.00 -1.87 0.00 0.00 57.45 55.45 2xhd n PHE 106 Cb 0.42 -0.11 -0.09 0.00 -1.61 0.00 0.00 39.48 38.09 2xhd n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 2xhd s MET 107 N -3.04 0.67 0.12 3.97 0.00 -1.25 -5.00 119.30 114.77 2xhd s MET 107 Ca 0.08 0.62 0.00 0.00 0.00 0.00 0.00 55.69 56.39 2xhd s MET 107 Cb 0.16 0.32 -0.04 0.00 0.00 0.00 0.00 34.83 35.27 2xhd s MET 107 CO 0.83 -0.11 0.28 -1.54 0.00 0.00 0.00 175.02 174.48 2xhd s SER 108 N 0.01 6.37 0.23 1.11 1.04 -1.26 -1.12 113.70 120.08 2xhd s SER 108 Ca -0.02 0.30 -0.22 0.00 0.48 0.00 0.00 55.95 56.49 2xhd s SER 108 Cb -0.04 -1.97 0.04 0.00 0.10 0.00 0.00 66.02 64.16 2xhd s SER 108 CO 0.02 0.09 0.68 -1.48 0.98 0.00 0.00 173.24 173.53 2xhd s LEU 109 N -2.88 -0.37 0.06 2.42 -0.00 -0.45 -4.83 118.68 112.64 2xhd s LEU 109 Ca 0.36 -0.39 -0.06 0.00 -0.00 0.00 0.00 54.13 54.03 2xhd s LEU 109 Cb -0.12 2.67 -0.01 0.00 -0.00 0.00 0.00 46.19 48.73 2xhd s LEU 109 CO 0.28 -1.21 0.12 -0.83 -0.00 0.00 0.00 176.35 174.71 2xhd s GLY 110 N -2.86 0.18 0.32 -3.48 0.00 -1.26 -1.05 107.32 99.17 2xhd s GLY 110 Ca 0.08 -0.67 -0.29 0.00 0.00 0.00 0.00 44.72 43.84 2xhd s GLY 110 CO -0.00 -0.82 1.44 -0.42 0.00 0.00 0.00 173.10 173.30 2xhd s ILE 111 N -3.30 2.41 0.25 0.90 1.01 -1.26 -0.05 121.20 121.16 2xhd s ILE 111 Ca 0.01 0.38 -0.00 0.00 0.00 0.00 0.00 60.65 61.03 2xhd s ILE 111 Cb 0.03 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 2xhd s ILE 111 CO -0.08 0.08 0.24 -0.94 0.00 0.00 0.00 174.94 174.24 2xhd s SER 112 N -0.02 0.58 -0.14 3.58 1.04 0.30 -0.03 113.70 119.00 2xhd s SER 112 Ca 0.55 -1.44 -0.03 0.00 0.48 0.00 0.00 55.95 55.51 2xhd s SER 112 Cb -0.43 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 2xhd s SER 112 CO 0.53 -0.97 -0.06 -0.63 0.98 0.00 0.00 173.24 173.08 2xhd s ILE 113 N -3.86 3.70 -0.17 -1.02 1.01 -1.26 -1.77 121.20 117.83 2xhd s ILE 113 Ca 0.37 -0.43 -0.06 0.00 0.00 0.00 0.00 60.65 60.53 2xhd s ILE 113 Cb 0.04 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 2xhd s ILE 113 CO 0.16 0.51 0.02 -0.32 0.00 0.00 0.00 174.94 175.31 2xhd s MET 114 N 0.26 3.82 0.19 2.79 -2.45 0.25 -2.13 119.30 122.03 2xhd s MET 114 Ca -0.04 -0.43 0.08 0.00 -1.25 0.00 0.00 55.69 54.05 2xhd s MET 114 Cb -0.14 -3.09 -0.04 0.00 1.25 0.00 0.00 34.83 32.81 2xhd s MET 114 CO 0.03 0.23 -0.17 0.96 1.05 0.00 0.00 175.02 177.13 2xhd s ILE 115 N 0.44 1.82 0.24 10.11 -4.36 -0.54 -1.49 121.20 127.41 2xhd s ILE 115 Ca 0.00 -2.07 -0.30 0.00 -0.26 0.00 0.00 60.65 58.03 2xhd s ILE 115 Cb -0.13 -1.95 -0.09 0.00 1.25 0.00 0.00 42.46 41.54 2xhd s ILE 115 CO 0.02 -0.44 1.14 -0.75 0.24 0.00 0.00 174.94 175.15 2xhd s LYS 116 N -3.19 4.57 0.10 0.37 2.20 -1.26 -1.18 119.74 121.34 2xhd s LYS 116 Ca 0.19 1.84 -0.35 0.00 -0.36 0.00 0.00 55.97 57.29 2xhd s LYS 116 Cb -0.04 -3.21 -0.15 0.00 -1.51 0.00 0.00 37.83 32.92 2xhd s LYS 116 CO 0.07 0.07 1.52 1.63 -0.36 0.00 0.00 175.35 178.29 2xhd n LYS 117 N 1.76 1.75 0.00 4.03 5.02 -0.16 -1.68 118.16 128.89 2xhd n LYS 117 Ca 0.01 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 2xhd n LYS 117 Cb 0.45 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.10 2xhd n LYS 117 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2xhd n GLY 118 N 3.20 0.61 3.69 0.72 0.00 -1.26 -5.01 105.19 107.14 2xhd n GLY 118 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 2xhd n GLY 118 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2xhd n THR 119 N -2.00 0.14 -1.49 2.61 -1.04 -0.68 -4.85 114.28 106.97 2xhd n THR 119 Ca 0.00 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.05 61.59 2xhd n THR 119 Cb 0.00 -1.90 -0.02 0.00 -1.82 0.00 0.00 70.33 66.60 2xhd n THR 119 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2xhd n PRO 120 N 4.45 2.96 -3.87 -2.82 -0.04 -1.26 -4.80 135.00 129.62 2xhd n PRO 120 Ca 0.17 -2.34 -0.18 0.00 -0.04 0.00 0.00 63.50 61.11 2xhd n PRO 120 Cb 0.34 -3.05 -0.17 0.00 -0.04 0.00 0.00 33.50 30.58 2xhd n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2xhd s ILE 121 N 3.05 0.17 -0.15 0.52 -1.09 -1.26 -5.02 121.20 117.41 2xhd s ILE 121 Ca 0.55 0.14 0.09 0.00 -2.23 0.00 0.00 60.65 59.20 2xhd s ILE 121 Cb 0.15 -0.29 -0.12 0.00 -1.58 0.00 0.00 42.46 40.62 2xhd s ILE 121 CO -0.06 0.17 0.25 -0.62 -1.23 0.00 0.00 174.94 173.45 2xhd n GLU 122 N 4.47 1.67 -3.83 2.79 1.02 -1.26 -4.93 120.64 120.56 2xhd n GLU 122 Ca -0.20 -0.05 -0.07 0.00 -0.02 0.00 0.00 57.16 56.82 2xhd n GLU 122 Cb 0.50 -1.10 -0.01 0.00 -0.02 0.00 0.00 31.44 30.82 2xhd n GLU 122 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2xhd s SER 123 N -2.58 -0.17 0.21 1.62 1.04 -1.26 -2.80 113.70 109.75 2xhd s SER 123 Ca -0.01 -0.71 -0.10 0.00 0.48 0.00 0.00 55.95 55.62 2xhd s SER 123 Cb 0.06 0.71 0.15 0.00 0.10 0.00 0.00 66.02 67.04 2xhd s SER 123 CO 0.36 -1.34 1.84 0.00 0.98 0.00 0.00 173.24 175.08 2xhd h ALA 124 N 2.00 0.97 -0.46 5.32 0.00 -1.94 -2.80 119.26 122.34 2xhd h ALA 124 Ca -0.23 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.66 2xhd h ALA 124 Cb 1.25 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 2xhd h ALA 124 CO 0.28 0.45 0.09 0.93 0.00 0.00 0.00 179.25 181.00 2xhd h GLU 125 N 1.04 0.22 -0.57 0.00 5.08 -1.96 -2.13 114.58 116.26 2xhd h GLU 125 Ca 0.27 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.70 2xhd h GLU 125 Cb -0.01 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.12 2xhd h GLU 125 CO -0.05 0.14 0.22 -0.44 -1.00 0.00 0.00 179.01 177.89 2xhd h ASP 126 N 0.22 0.24 -0.98 1.42 3.45 -1.90 -1.57 116.42 117.30 2xhd h ASP 126 Ca 0.23 0.07 0.01 0.00 0.43 0.00 0.00 57.03 57.77 2xhd h ASP 126 Cb 0.29 0.04 -0.05 0.00 -0.56 0.00 0.00 39.33 39.05 2xhd h ASP 126 CO -0.30 0.16 0.65 -0.07 -1.57 0.00 0.00 179.24 178.11 2xhd h LEU 127 N 0.41 1.12 -0.77 1.55 3.38 -1.25 -3.06 115.31 116.69 2xhd h LEU 127 Ca 0.28 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 2xhd h LEU 127 Cb 0.31 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2xhd h LEU 127 CO -0.27 0.80 -0.58 0.77 0.09 0.00 0.00 178.44 179.26 2xhd h SER 128 N 1.32 0.00 -0.51 -0.43 4.64 -0.67 -3.22 113.55 114.68 2xhd h SER 128 Ca 0.36 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.57 2xhd h SER 128 Cb -0.13 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 61.89 2xhd h SER 128 CO -0.08 0.58 0.14 0.29 -0.87 0.00 0.00 176.83 176.88 2xhd n LYS 129 N -3.73 3.30 -3.91 4.77 5.02 -0.82 -4.91 118.16 117.88 2xhd n LYS 129 Ca -0.01 -2.28 -0.10 0.00 -2.02 0.00 0.00 58.31 53.91 2xhd n LYS 129 Cb 0.60 -2.01 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 2xhd n LYS 129 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2xhd s GLN 130 N -2.33 1.24 0.00 1.97 1.03 -1.22 -5.07 119.66 115.29 2xhd s GLN 130 Ca 0.40 -1.10 0.00 0.00 0.04 0.00 0.00 55.36 54.70 2xhd s GLN 130 Cb 0.32 0.42 0.00 0.00 0.03 0.00 0.00 33.01 33.78 2xhd s GLN 130 CO 0.11 -0.48 0.00 2.41 -2.54 0.00 0.00 175.29 174.79 2xhd n THR 131 N -0.26 0.00 -0.10 3.63 -1.04 -1.26 -4.83 114.28 110.43 2xhd n THR 131 Ca -0.08 -0.14 -0.10 0.00 -2.04 0.00 0.00 64.05 61.69 2xhd n THR 131 Cb 0.63 0.64 -0.02 0.00 -1.82 0.00 0.00 70.33 69.75 2xhd n THR 131 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2xhd h GLU 132 N 0.00 0.47 -5.10 -2.82 4.57 -1.97 -3.41 114.58 106.32 2xhd h GLU 132 Ca 0.00 -0.09 -0.64 0.00 -1.18 0.00 0.00 59.36 57.45 2xhd h GLU 132 Cb 0.00 -0.07 -0.15 0.00 -0.16 0.00 0.00 28.75 28.36 2xhd h GLU 132 CO 0.00 0.49 -0.24 0.42 -1.18 0.00 0.00 179.01 178.50 2xhd s ILE 133 N -5.50 5.16 0.62 2.32 1.01 -1.26 -4.92 121.20 118.63 2xhd s ILE 133 Ca -0.13 0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.79 2xhd s ILE 133 Cb 0.09 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 2xhd s ILE 133 CO 0.74 0.06 1.03 0.00 0.00 0.00 0.00 174.94 176.76 2xhd s ALA 134 N 2.08 3.02 -0.02 9.38 0.00 0.46 -4.86 121.76 131.82 2xhd s ALA 134 Ca 0.14 -0.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.81 2xhd s ALA 134 Cb -0.16 -3.10 0.06 0.00 0.00 0.00 0.00 23.12 19.92 2xhd s ALA 134 CO 0.11 -0.73 0.59 1.52 0.00 0.00 0.00 175.76 177.25 2xhd s TYR 135 N -3.09 -0.54 0.20 0.00 1.13 -1.26 -0.32 117.35 113.47 2xhd s TYR 135 Ca 0.56 0.85 -0.06 0.00 -1.41 0.00 0.00 57.07 57.01 2xhd s TYR 135 Cb -0.11 0.36 0.02 0.00 -1.10 0.00 0.00 41.96 41.13 2xhd s TYR 135 CO 0.52 -0.59 0.37 0.41 -2.51 0.00 0.00 175.55 173.74 2xhd n GLY 136 N 0.81 1.77 3.40 5.49 0.00 -1.14 -4.83 105.19 110.69 2xhd n GLY 136 Ca -0.19 -1.24 -0.20 0.00 0.00 0.00 0.00 46.02 44.39 2xhd n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2xhd s THR 137 N -2.56 0.69 0.36 2.61 -4.23 -1.25 -1.31 115.64 109.95 2xhd s THR 137 Ca 0.10 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.34 2xhd s THR 137 Cb -0.02 -2.59 -0.09 0.00 1.34 0.00 0.00 72.50 71.14 2xhd s THR 137 CO 0.07 0.00 1.19 -0.22 -0.54 0.00 0.00 174.62 175.12 2xhd s LEU 138 N -3.43 4.31 0.44 4.79 2.96 -1.26 -2.45 118.68 124.03 2xhd s LEU 138 Ca 0.34 2.41 -0.21 0.00 -0.22 0.00 0.00 54.13 56.45 2xhd s LEU 138 Cb 0.06 -3.87 -0.10 0.00 0.50 0.00 0.00 46.19 42.77 2xhd s LEU 138 CO 0.15 -0.55 0.97 -1.81 -1.32 0.00 0.00 176.35 173.79 2xhd s ASP 139 N -0.95 6.82 -1.14 3.68 -0.00 -0.72 -4.22 116.67 120.13 2xhd s ASP 139 Ca 0.53 1.75 0.00 0.00 -0.00 0.00 0.00 52.55 54.83 2xhd s ASP 139 Cb -0.33 -2.55 0.00 0.00 -0.00 0.00 0.00 42.92 40.05 2xhd s ASP 139 CO 0.42 -0.44 0.00 -1.20 -0.00 0.00 0.00 175.17 173.95 2xhd n SER 140 N -0.68 -4.10 -3.75 0.27 7.64 -1.26 -4.81 113.62 106.92 2xhd n SER 140 Ca 0.07 0.05 -0.24 0.00 1.01 0.00 0.00 58.87 59.76 2xhd n SER 140 Cb 0.54 -3.20 -0.07 0.00 -1.01 0.00 0.00 64.21 60.46 2xhd n SER 140 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2xhd n GLY 141 N -1.08 3.16 0.18 0.23 0.00 -1.26 -2.00 105.19 104.41 2xhd n GLY 141 Ca -0.15 -2.07 0.05 0.00 0.00 0.00 0.00 46.02 43.86 2xhd n GLY 141 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2xhd h SER 142 N 1.73 0.00 -0.21 1.61 4.64 -1.91 -2.99 113.55 116.41 2xhd h SER 142 Ca -0.30 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.96 2xhd h SER 142 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 2xhd h SER 142 CO 0.47 0.40 -0.09 0.74 -0.87 0.00 0.00 176.83 177.48 2xhd h THR 143 N 0.00 1.30 -0.33 2.95 2.02 -1.97 -0.61 112.91 116.27 2xhd h THR 143 Ca -0.00 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.04 2xhd h THR 143 Cb 0.97 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.97 2xhd h THR 143 CO 0.05 0.34 0.22 0.50 0.37 0.00 0.00 175.52 177.00 2xhd h LYS 144 N 0.13 0.44 -0.84 6.66 3.64 -1.72 -2.29 116.57 122.60 2xhd h LYS 144 Ca 0.05 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2xhd h LYS 144 Cb 0.57 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 2xhd h LYS 144 CO 0.03 0.31 0.55 1.49 -2.27 0.00 0.00 179.45 179.56 2xhd h GLU 145 N 0.45 1.06 -0.39 1.90 4.57 -1.49 -1.37 114.58 119.30 2xhd h GLU 145 Ca 0.12 -0.06 0.06 0.00 -1.18 0.00 0.00 59.36 58.30 2xhd h GLU 145 Cb -0.04 -0.24 -0.05 0.00 -0.16 0.00 0.00 28.75 28.26 2xhd h GLU 145 CO -0.03 0.70 0.08 0.35 -1.18 0.00 0.00 179.01 178.93 2xhd h PHE 146 N 1.09 0.13 -0.16 0.92 3.57 -0.54 -0.56 116.94 121.39 2xhd h PHE 146 Ca 0.32 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.65 2xhd h PHE 146 Cb -0.06 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 2xhd h PHE 146 CO -0.00 0.02 -0.66 0.74 -2.23 0.00 0.00 178.31 176.17 2xhd h PHE 147 N 0.21 0.82 -0.89 0.41 0.04 -1.13 -1.57 116.94 114.83 2xhd h PHE 147 Ca 0.19 -0.33 0.07 0.00 2.80 0.00 0.00 57.97 60.69 2xhd h PHE 147 Cb 0.22 -0.14 -0.06 0.00 2.20 0.00 0.00 35.95 38.17 2xhd h PHE 147 CO -0.20 1.11 0.58 -0.09 -0.60 0.00 0.00 178.31 179.12 2xhd h ARG 148 N 0.46 0.96 0.00 1.51 2.43 -0.94 -3.18 114.38 115.61 2xhd h ARG 148 Ca -0.02 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2xhd h ARG 148 Cb 1.25 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2xhd h ARG 148 CO 0.13 0.64 -1.33 0.54 -1.51 0.00 0.00 179.97 178.44 2xhd n ARG 149 N -4.49 0.44 -1.98 0.20 5.12 -0.25 -4.99 116.66 110.72 2xhd n ARG 149 Ca 0.14 -0.04 -0.41 0.00 -1.93 0.00 0.00 57.85 55.61 2xhd n ARG 149 Cb 0.21 -1.61 -0.02 0.00 -1.16 0.00 0.00 32.46 29.89 2xhd n ARG 149 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2xhd s SER 150 N -4.31 6.59 0.00 0.55 0.15 -0.60 -4.92 113.70 111.16 2xhd s SER 150 Ca -0.00 2.81 0.17 0.00 0.70 0.00 0.00 55.95 59.62 2xhd s SER 150 Cb 0.13 -2.65 0.19 0.00 -1.71 0.00 0.00 66.02 61.99 2xhd s SER 150 CO 0.84 -0.70 1.10 0.29 1.20 0.00 0.00 173.24 175.97 2xhd n LYS 151 N 1.18 1.61 -2.61 5.44 5.02 -1.26 -4.44 118.16 123.11 2xhd n LYS 151 Ca 0.03 -1.66 -0.42 0.00 -2.02 0.00 0.00 58.31 54.23 2xhd n LYS 151 Cb 0.40 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 2xhd n LYS 151 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2xhd s ILE 152 N -1.34 4.58 0.18 -0.18 1.01 -1.26 -4.92 121.20 119.27 2xhd s ILE 152 Ca 0.23 1.86 -0.23 0.00 0.00 0.00 0.00 60.65 62.51 2xhd s ILE 152 Cb 0.15 -4.19 0.09 0.00 0.01 0.00 0.00 42.46 38.51 2xhd s ILE 152 CO 0.22 0.09 1.58 0.00 0.00 0.00 0.00 174.94 176.82 2xhd h ALA 153 N 6.98 -0.16 -0.37 9.38 0.00 -1.99 -0.29 119.26 132.81 2xhd h ALA 153 Ca -0.37 0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.72 2xhd h ALA 153 Cb 1.19 0.86 -0.04 0.00 0.00 0.00 0.00 17.79 19.80 2xhd h ALA 153 CO 0.81 -0.74 0.13 0.28 0.00 0.00 0.00 179.25 179.73 2xhd h VAL 154 N -0.19 0.88 -0.21 0.00 2.07 -1.99 -1.48 116.25 115.35 2xhd h VAL 154 Ca 0.21 -0.10 -0.19 0.00 0.82 0.00 0.00 66.70 67.45 2xhd h VAL 154 Cb 0.56 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2xhd h VAL 154 CO -0.69 0.05 -0.63 -0.26 0.02 0.00 0.00 177.57 176.07 2xhd h PHE 155 N 0.28 0.93 -0.63 1.57 0.04 -1.72 -2.10 116.94 115.31 2xhd h PHE 155 Ca 0.17 -0.36 -0.03 0.00 2.80 0.00 0.00 57.97 60.55 2xhd h PHE 155 Cb 0.15 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 2xhd h PHE 155 CO -0.15 1.16 0.28 0.22 -0.60 0.00 0.00 178.31 179.22 2xhd h ASP 156 N 0.53 0.82 -0.40 2.17 -0.00 -0.92 -0.73 116.42 117.89 2xhd h ASP 156 Ca -0.01 -0.10 -0.14 0.00 -0.00 0.00 0.00 57.03 56.79 2xhd h ASP 156 Cb 1.22 -0.21 -0.01 0.00 -0.00 0.00 0.00 39.33 40.33 2xhd h ASP 156 CO 0.13 0.71 -0.27 0.50 -0.00 0.00 0.00 179.24 180.32 2xhd h LYS 157 N 0.90 0.92 -0.50 0.28 3.64 -1.08 -2.31 116.57 118.42 2xhd h LYS 157 Ca 0.22 -0.41 -0.06 0.00 -1.27 0.00 0.00 60.65 59.12 2xhd h LYS 157 Cb 0.13 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2xhd h LYS 157 CO -0.02 1.07 0.08 0.52 -2.27 0.00 0.00 179.45 178.83 2xhd h MET 158 N 0.79 0.83 -0.15 1.90 2.86 -1.03 -2.91 114.93 117.22 2xhd h MET 158 Ca 0.09 -0.23 0.02 0.00 -2.06 0.00 0.00 59.70 57.52 2xhd h MET 158 Cb 0.83 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 2xhd h MET 158 CO 0.07 0.83 0.04 2.35 1.06 0.00 0.00 176.91 181.26 2xhd h TRP 159 N 0.71 0.07 -0.60 -0.22 2.91 -1.06 -1.39 115.95 116.37 2xhd h TRP 159 Ca 0.15 0.01 0.12 0.00 1.13 0.00 0.00 58.89 60.30 2xhd h TRP 159 Cb 0.40 -0.01 -0.09 0.00 -0.51 0.00 0.00 29.16 28.95 2xhd h TRP 159 CO 0.03 0.03 0.06 1.15 -1.03 0.00 0.00 178.44 178.67 2xhd h THR 160 N 0.10 0.56 -0.04 2.65 2.02 -1.37 -1.22 112.91 115.61 2xhd h THR 160 Ca 0.06 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2xhd h THR 160 Cb 0.05 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 2xhd h THR 160 CO -0.08 0.03 0.02 0.22 0.37 0.00 0.00 175.52 176.08 2xhd h TYR 161 N 0.17 0.06 -0.65 3.16 3.20 -1.32 -3.31 116.97 118.30 2xhd h TYR 161 Ca 0.31 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.11 2xhd h TYR 161 Cb 0.49 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 2xhd h TYR 161 CO -0.31 0.20 0.12 0.52 -1.64 0.00 0.00 178.16 177.05 2xhd h MET 162 N -0.09 1.07 0.00 1.82 2.86 -0.51 -2.14 114.93 117.95 2xhd h MET 162 Ca 0.01 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.35 2xhd h MET 162 Cb 0.16 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 2xhd h MET 162 CO -0.00 0.98 -0.10 0.07 1.06 0.00 0.00 176.91 178.92 2xhd h ARG 163 N 0.99 0.00 -0.00 1.72 0.11 -1.36 -3.08 114.38 112.75 2xhd h ARG 163 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 2xhd h ARG 163 Cb 0.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 2xhd h ARG 163 CO 0.01 0.10 -0.43 0.43 0.10 0.00 0.00 179.97 180.18 2xhd n SER 164 N -3.41 1.03 -4.75 0.08 7.64 -1.09 -5.03 113.62 108.09 2xhd n SER 164 Ca -0.01 -1.01 -0.41 0.00 1.01 0.00 0.00 58.87 58.44 2xhd n SER 164 Cb 0.27 0.73 -0.02 0.00 -1.01 0.00 0.00 64.21 64.17 2xhd n SER 164 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2xhd s ALA 165 N -1.91 3.66 -0.08 -0.43 0.00 -0.82 -5.03 121.76 117.15 2xhd s ALA 165 Ca 0.08 1.41 0.02 0.00 0.00 0.00 0.00 51.96 53.47 2xhd s ALA 165 Cb 0.10 -3.59 0.01 0.00 0.00 0.00 0.00 23.12 19.65 2xhd s ALA 165 CO 0.42 -0.83 -0.13 -1.21 0.00 0.00 0.00 175.76 174.01 2xhd s GLU 166 N -0.48 1.86 1.01 0.00 0.41 -1.26 -3.61 118.70 116.63 2xhd s GLU 166 Ca 0.60 -0.46 -0.12 0.00 -0.41 0.00 0.00 54.97 54.58 2xhd s GLU 166 Cb -0.44 -1.55 0.20 0.00 -1.78 0.00 0.00 34.13 30.56 2xhd s GLU 166 CO 0.45 0.01 1.09 -1.25 -0.49 0.00 0.00 175.26 175.07 2xhd s PRO 167 N 0.75 0.32 0.28 0.39 0.04 -1.26 -5.08 135.00 130.43 2xhd s PRO 167 Ca -0.13 0.52 -0.29 0.00 0.04 0.00 0.00 61.00 61.14 2xhd s PRO 167 Cb -0.16 -1.72 -0.14 0.00 0.04 0.00 0.00 34.50 32.52 2xhd s PRO 167 CO 0.03 -2.81 1.03 0.45 0.04 0.00 0.00 177.00 175.74 2xhd n SER 168 N -4.23 1.33 -0.54 6.66 2.88 -1.24 -4.91 113.62 113.57 2xhd n SER 168 Ca 0.05 1.17 0.11 0.00 -1.33 0.00 0.00 58.87 58.88 2xhd n SER 168 Cb 0.57 -1.28 0.04 0.00 -0.75 0.00 0.00 64.21 62.79 2xhd n SER 168 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2xhd n VAL 169 N 0.40 0.00 -3.38 2.46 0.24 -1.26 -4.95 118.33 111.83 2xhd n VAL 169 Ca 0.10 -0.28 -0.38 0.00 -2.04 0.00 0.00 64.34 61.74 2xhd n VAL 169 Cb 0.31 1.23 -0.06 0.00 -1.47 0.00 0.00 33.84 33.85 2xhd n VAL 169 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2xhd s PHE 170 N -2.41 3.75 0.16 6.34 0.08 -1.26 -3.89 117.98 120.74 2xhd s PHE 170 Ca 0.20 1.12 0.07 0.00 0.12 0.00 0.00 56.93 58.45 2xhd s PHE 170 Cb 0.18 -2.39 -0.04 0.00 -0.57 0.00 0.00 43.02 40.21 2xhd s PHE 170 CO 0.53 0.59 -0.03 0.14 -0.10 0.00 0.00 175.22 176.36 2xhd s VAL 171 N -1.14 3.63 0.20 -0.44 -7.23 -1.02 -4.92 120.40 109.48 2xhd s VAL 171 Ca 0.28 -1.38 0.07 0.00 -1.81 0.00 0.00 61.98 59.13 2xhd s VAL 171 Cb -0.18 -2.79 -0.11 0.00 0.56 0.00 0.00 36.38 33.86 2xhd s VAL 171 CO 0.17 -0.05 1.46 0.03 -0.31 0.00 0.00 175.10 176.39 2xhd h ARG 172 N 2.94 0.07 -4.46 4.82 3.08 -1.93 -1.93 114.38 116.98 2xhd h ARG 172 Ca -0.47 -0.07 -0.23 0.00 0.07 0.00 0.00 59.98 59.28 2xhd h ARG 172 Cb 1.19 0.02 -0.19 0.00 0.08 0.00 0.00 29.97 31.08 2xhd h ARG 172 CO 0.57 0.82 -0.71 0.95 -1.07 0.00 0.00 179.97 180.52 2xhd s THR 173 N -3.28 0.48 0.20 2.04 -4.23 -1.26 -4.75 115.64 104.83 2xhd s THR 173 Ca -0.01 -1.37 -0.11 0.00 -1.18 0.00 0.00 61.69 59.02 2xhd s THR 173 Cb 0.11 -0.95 0.11 0.00 1.34 0.00 0.00 72.50 73.12 2xhd s THR 173 CO 0.80 -0.60 1.79 0.74 -0.54 0.00 0.00 174.62 176.81 2xhd h THR 174 N 3.96 0.94 -0.92 3.99 2.02 -1.95 -2.37 112.91 118.57 2xhd h THR 174 Ca -0.35 -0.20 0.15 0.00 0.77 0.00 0.00 66.41 66.78 2xhd h THR 174 Cb 1.19 0.32 -0.09 0.00 -1.74 0.00 0.00 68.15 67.82 2xhd h THR 174 CO 0.50 0.10 0.53 0.00 0.37 0.00 0.00 175.52 177.03 2xhd h ALA 175 N 1.32 1.42 -0.31 6.16 0.00 -1.97 -0.39 119.26 125.51 2xhd h ALA 175 Ca 0.27 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 2xhd h ALA 175 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2xhd h ALA 175 CO -0.18 0.02 -0.18 0.93 0.00 0.00 0.00 179.25 179.83 2xhd h GLU 176 N 0.77 0.56 -0.44 0.00 5.08 -1.86 -0.07 114.58 118.62 2xhd h GLU 176 Ca 0.49 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.60 2xhd h GLU 176 Cb 0.64 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2xhd h GLU 176 CO -0.33 0.71 0.01 0.78 -1.00 0.00 0.00 179.01 179.18 2xhd h GLY 177 N 0.98 0.83 0.82 -3.84 0.00 -0.77 -1.50 103.07 99.59 2xhd h GLY 177 Ca 0.08 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 2xhd h GLY 177 CO 0.04 0.56 0.03 -2.08 0.00 0.00 0.00 176.54 175.09 2xhd h VAL 178 N 0.61 1.20 -0.42 4.60 2.07 -0.92 -2.05 116.25 121.34 2xhd h VAL 178 Ca 0.12 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2xhd h VAL 178 Cb 0.48 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2xhd h VAL 178 CO 0.02 0.19 0.28 0.00 0.02 0.00 0.00 177.57 178.08 2xhd h ALA 179 N 0.82 1.69 -0.33 1.67 0.00 -1.02 -1.50 119.26 120.59 2xhd h ALA 179 Ca 0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2xhd h ALA 179 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2xhd h ALA 179 CO 0.00 0.28 0.01 -0.09 0.00 0.00 0.00 179.25 179.46 2xhd h ARG 180 N 0.57 0.58 -0.39 0.00 2.43 -1.05 -1.10 114.38 115.42 2xhd h ARG 180 Ca 0.15 -0.18 0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2xhd h ARG 180 Cb -0.06 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 2xhd h ARG 180 CO -0.03 0.70 0.23 0.28 -1.51 0.00 0.00 179.97 179.63 2xhd h VAL 181 N 0.39 1.04 -0.33 0.20 2.07 -0.84 -2.56 116.25 116.22 2xhd h VAL 181 Ca 0.10 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 2xhd h VAL 181 Cb 0.43 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 2xhd h VAL 181 CO 0.01 0.08 -0.15 0.03 0.02 0.00 0.00 177.57 177.57 2xhd h ARG 182 N 0.46 0.59 -0.02 1.57 3.08 -1.15 -3.14 114.38 115.77 2xhd h ARG 182 Ca 0.15 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2xhd h ARG 182 Cb 0.01 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2xhd h ARG 182 CO -0.07 0.72 -0.07 1.63 -1.07 0.00 0.00 179.97 181.10 2xhd n LYS 183 N -4.17 1.69 -0.47 0.04 5.02 -0.43 -4.38 118.16 115.46 2xhd n LYS 183 Ca 0.01 -1.15 0.10 0.00 -2.02 0.00 0.00 58.31 55.24 2xhd n LYS 183 Cb 0.36 -1.48 0.31 0.00 -0.02 0.00 0.00 35.03 34.20 2xhd n LYS 183 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2xhd n SER 184 N 0.35 4.22 -2.80 4.39 7.64 -0.97 -4.97 113.62 121.49 2xhd n SER 184 Ca 0.16 -2.28 -0.17 0.00 1.01 0.00 0.00 58.87 57.59 2xhd n SER 184 Cb 0.43 -0.50 -0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2xhd n SER 184 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2xhd n LYS 185 N 1.12 -2.88 -0.60 1.43 5.02 -1.26 -0.67 118.16 120.31 2xhd n LYS 185 Ca 0.23 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 2xhd n LYS 185 Cb 0.74 -5.27 0.00 0.00 -0.02 0.00 0.00 35.03 30.49 2xhd n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2xhd n GLY 186 N -1.01 0.77 0.74 0.72 0.00 -1.26 -4.94 105.19 100.22 2xhd n GLY 186 Ca -0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.02 2xhd n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2xhd n LYS 187 N -2.16 1.96 -3.88 1.61 4.76 0.15 -4.79 118.16 115.81 2xhd n LYS 187 Ca 0.00 -1.45 -0.17 0.00 -2.87 0.00 0.00 58.31 53.82 2xhd n LYS 187 Cb 0.00 -1.42 -0.16 0.00 -1.84 0.00 0.00 35.03 31.61 2xhd n LYS 187 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 2xhd s TYR 188 N -1.68 0.28 0.14 2.13 5.04 -1.26 -0.40 117.35 121.61 2xhd s TYR 188 Ca 0.33 0.02 0.07 0.00 -2.44 0.00 0.00 57.07 55.06 2xhd s TYR 188 Cb 0.18 -0.41 -0.04 0.00 0.35 0.00 0.00 41.96 42.04 2xhd s TYR 188 CO 0.27 -0.14 -0.04 0.00 -1.34 0.00 0.00 175.55 174.30 2xhd s ALA 189 N 1.15 3.10 -0.10 3.97 0.00 0.56 -4.56 121.76 125.88 2xhd s ALA 189 Ca -0.08 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 50.59 2xhd s ALA 189 Cb -0.13 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.04 2xhd s ALA 189 CO -0.02 0.56 -0.18 -0.47 0.00 0.00 0.00 175.76 175.65 2xhd s TYR 190 N -1.52 2.07 -0.36 0.00 5.04 -0.56 -2.89 117.35 119.13 2xhd s TYR 190 Ca 0.25 -0.89 -0.20 0.00 -2.44 0.00 0.00 57.07 53.79 2xhd s TYR 190 Cb -0.10 -1.45 0.00 0.00 0.35 0.00 0.00 41.96 40.77 2xhd s TYR 190 CO 0.17 -0.41 0.63 -0.51 -1.34 0.00 0.00 175.55 174.09 2xhd s LEU 191 N 0.66 4.27 0.18 6.97 2.01 -0.42 -0.58 118.68 131.77 2xhd s LEU 191 Ca -0.13 0.11 -0.15 0.00 0.01 0.00 0.00 54.13 53.97 2xhd s LEU 191 Cb -0.16 -2.77 0.02 0.00 0.01 0.00 0.00 46.19 43.28 2xhd s LEU 191 CO 0.04 -0.60 0.44 -1.48 1.01 0.00 0.00 176.35 175.75 2xhd s LEU 192 N 2.70 0.39 0.36 1.79 2.34 -0.73 -4.37 118.68 121.16 2xhd s LEU 192 Ca 0.24 -0.60 -0.27 0.00 0.06 0.00 0.00 54.13 53.56 2xhd s LEU 192 Cb -0.14 1.82 -0.09 0.00 -0.56 0.00 0.00 46.19 47.21 2xhd s LEU 192 CO 0.15 -0.99 1.25 -1.61 -1.06 0.00 0.00 176.35 174.09 2xhd s GLU 193 N -3.90 4.21 0.37 1.48 2.02 -1.26 -0.54 118.70 121.08 2xhd s GLU 193 Ca 0.11 2.06 0.12 0.00 0.02 0.00 0.00 54.97 57.28 2xhd s GLU 193 Cb 0.01 -2.90 0.91 0.00 0.10 0.00 0.00 34.13 32.24 2xhd s GLU 193 CO -0.03 -0.26 1.86 0.66 0.02 0.00 0.00 175.26 177.52 2xhd h SER 194 N 3.05 0.57 -0.05 -0.19 4.64 -0.77 -1.44 113.55 119.36 2xhd h SER 194 Ca -0.49 0.05 0.01 0.00 -0.47 0.00 0.00 61.79 60.89 2xhd h SER 194 Cb 1.23 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2xhd h SER 194 CO 0.64 0.27 -0.02 0.71 -0.87 0.00 0.00 176.83 177.55 2xhd h THR 195 N 0.59 0.92 -0.23 2.95 1.35 -1.88 0.99 112.91 117.61 2xhd h THR 195 Ca 0.46 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 66.14 2xhd h THR 195 Cb 0.88 0.92 -0.00 0.00 -1.73 0.00 0.00 68.15 68.22 2xhd h THR 195 CO -0.21 0.00 -0.59 0.24 -0.25 0.00 0.00 175.52 174.71 2xhd h MET 196 N -0.02 0.74 -0.18 4.72 2.86 -1.74 -2.57 114.93 118.74 2xhd h MET 196 Ca 0.03 -0.49 0.04 0.00 -2.06 0.00 0.00 59.70 57.21 2xhd h MET 196 Cb 0.06 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 2xhd h MET 196 CO -0.06 1.11 -0.04 -0.97 1.06 0.00 0.00 176.91 178.01 2xhd h ASN 197 N 0.56 -0.16 -0.09 1.22 -0.73 -1.11 -2.23 115.58 113.03 2xhd h ASN 197 Ca 0.00 0.05 -0.07 0.00 1.87 0.00 0.00 56.30 58.15 2xhd h ASN 197 Cb 1.18 0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.86 2xhd h ASN 197 CO 0.12 -0.06 -0.15 -0.33 -0.37 0.00 0.00 177.43 176.65 2xhd h GLU 198 N 0.00 0.44 -0.09 6.67 5.08 -0.78 -1.52 114.58 124.38 2xhd h GLU 198 Ca 0.09 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2xhd h GLU 198 Cb 0.13 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2xhd h GLU 198 CO -0.18 0.58 0.04 -0.92 -1.00 0.00 0.00 179.01 177.53 2xhd h TYR 199 N 0.41 0.13 -0.53 4.33 3.20 -1.26 -3.20 116.97 120.05 2xhd h TYR 199 Ca 0.07 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 2xhd h TYR 199 Cb 0.50 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 2xhd h TYR 199 CO 0.01 0.19 0.08 0.82 -1.64 0.00 0.00 178.16 177.62 2xhd h ILE 200 N 0.03 1.24 -0.97 1.81 1.08 -1.08 -2.77 117.51 116.84 2xhd h ILE 200 Ca 0.03 -0.92 0.24 0.00 -0.39 0.00 0.00 64.86 63.83 2xhd h ILE 200 Cb 0.11 0.74 -0.07 0.00 -3.07 0.00 0.00 36.82 34.54 2xhd h ILE 200 CO -0.00 0.33 0.65 -0.33 -0.69 0.00 0.00 178.15 178.11 2xhd h GLU 201 N 0.81 0.29 -0.70 2.37 5.08 -1.28 -1.98 114.58 119.17 2xhd h GLU 201 Ca 0.17 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2xhd h GLU 201 Cb 0.37 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2xhd h GLU 201 CO 0.01 0.19 0.00 1.04 -1.00 0.00 0.00 179.01 179.25 2xhd n GLN 202 N -4.48 2.79 -4.27 2.33 6.02 -1.05 -4.80 117.38 113.92 2xhd n GLN 202 Ca 0.22 -2.58 -0.30 0.00 -0.01 0.00 0.00 57.00 54.32 2xhd n GLN 202 Cb 0.85 -1.60 -0.10 0.00 1.02 0.00 0.00 30.24 30.41 2xhd n GLN 202 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2xhd s ARG 203 N -1.17 2.32 0.52 -1.09 1.81 -0.75 -3.69 118.95 116.90 2xhd s ARG 203 Ca 0.48 -0.91 -0.23 0.00 -1.72 0.00 0.00 55.73 53.35 2xhd s ARG 203 Cb 0.26 -2.40 -0.06 0.00 -0.45 0.00 0.00 34.95 32.30 2xhd s ARG 203 CO 0.31 0.54 1.39 1.63 -0.68 0.00 0.00 175.30 178.49 2xhd n LYS 204 N 0.90 1.89 -0.45 3.54 5.02 -1.26 -1.08 118.16 126.72 2xhd n LYS 204 Ca -0.13 0.69 -0.05 0.00 -2.02 0.00 0.00 58.31 56.79 2xhd n LYS 204 Cb 0.52 -2.60 0.10 0.00 -0.02 0.00 0.00 35.03 33.04 2xhd n LYS 204 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2xhd n PRO 205 N -0.75 1.88 -3.96 1.97 -0.05 -1.26 -4.96 135.00 127.87 2xhd n PRO 205 Ca 0.09 -1.23 -0.28 0.00 -0.05 0.00 0.00 63.50 62.03 2xhd n PRO 205 Cb 0.44 -1.59 -0.00 0.00 -0.05 0.00 0.00 33.50 32.29 2xhd n PRO 205 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2xhd n ASP 207 N -2.90 2.25 -4.41 0.00 5.75 -1.26 -4.99 116.55 111.00 2xhd n ASP 207 Ca -0.15 -1.85 -0.24 0.00 -0.01 0.00 0.00 54.79 52.54 2xhd n ASP 207 Cb 0.61 -0.09 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 2xhd n ASP 207 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2xhd s THR 208 N -0.89 2.19 0.07 2.12 -4.23 -1.26 -0.99 115.64 112.64 2xhd s THR 208 Ca 0.10 -2.16 -0.15 0.00 -1.18 0.00 0.00 61.69 58.30 2xhd s THR 208 Cb 0.05 -2.11 0.03 0.00 1.34 0.00 0.00 72.50 71.81 2xhd s THR 208 CO 0.07 -0.32 0.34 0.00 -0.54 0.00 0.00 174.62 174.17 2xhd s MET 209 N -3.12 0.90 -0.06 3.99 0.23 -0.33 -4.69 119.30 116.23 2xhd s MET 209 Ca 0.23 -0.56 -0.25 0.00 -1.03 0.00 0.00 55.69 54.08 2xhd s MET 209 Cb -0.05 0.39 -0.03 0.00 -1.53 0.00 0.00 34.83 33.60 2xhd s MET 209 CO 0.10 -0.31 0.79 0.21 -2.03 0.00 0.00 175.02 173.79 2xhd s LYS 210 N -2.93 4.46 0.02 3.16 2.20 -1.26 -1.46 119.74 123.93 2xhd s LYS 210 Ca -0.02 1.05 0.07 0.00 -0.36 0.00 0.00 55.97 56.71 2xhd s LYS 210 Cb 0.00 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 2xhd s LYS 210 CO -0.06 -0.01 -0.22 0.14 -0.36 0.00 0.00 175.35 174.84 2xhd s VAL 211 N 1.01 1.74 0.04 4.02 -7.23 -0.91 -5.01 120.40 114.07 2xhd s VAL 211 Ca 0.42 -1.12 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 2xhd s VAL 211 Cb -0.19 -1.49 0.00 0.00 0.56 0.00 0.00 36.38 35.27 2xhd s VAL 211 CO 0.20 0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.94 2xhd n GLY 212 N 2.11 -1.93 3.89 2.32 0.00 -1.12 -4.06 105.19 106.39 2xhd n GLY 212 Ca -0.16 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 2xhd n GLY 212 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2xhd s GLY 213 N -4.91 1.61 0.49 -0.02 0.00 -1.26 -4.89 107.32 98.33 2xhd s GLY 213 Ca 0.00 -0.51 -0.23 0.00 0.00 0.00 0.00 44.72 43.99 2xhd s GLY 213 CO 0.00 -0.06 1.24 -1.31 0.00 0.00 0.00 173.10 172.96 2xhd s ASN 214 N -4.45 5.87 0.25 1.64 0.01 -1.26 -4.83 114.94 112.16 2xhd s ASN 214 Ca 0.60 2.48 0.14 0.00 -0.71 0.00 0.00 52.86 55.37 2xhd s ASN 214 Cb -0.11 -2.62 0.02 0.00 0.41 0.00 0.00 41.25 38.95 2xhd s ASN 214 CO 0.50 -1.14 1.42 -0.07 -1.51 0.00 0.00 177.10 176.30 2xhd h LEU 215 N 1.87 0.00 0.00 0.60 4.07 -0.76 -3.48 115.31 117.61 2xhd h LEU 215 Ca -0.50 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.19 2xhd h LEU 215 Cb 1.27 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.94 2xhd h LEU 215 CO 0.59 0.59 -0.13 -0.90 -1.08 0.00 0.00 178.44 177.51 2xhd n ASP 216 N -3.25 -1.42 -3.75 -0.43 5.75 -1.26 -4.94 116.55 107.26 2xhd n ASP 216 Ca 0.02 -2.91 -0.25 0.00 -0.01 0.00 0.00 54.79 51.64 2xhd n ASP 216 Cb 0.77 2.63 -0.17 0.00 -1.03 0.00 0.00 41.12 43.32 2xhd n ASP 216 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2xhd s SER 217 N -3.20 2.03 0.00 -1.12 0.15 -1.26 -4.14 113.70 106.16 2xhd s SER 217 Ca 0.29 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.60 2xhd s SER 217 Cb -0.01 -0.47 0.00 0.00 -1.71 0.00 0.00 66.02 63.83 2xhd s SER 217 CO 0.21 -0.24 0.00 2.29 1.20 0.00 0.00 173.24 176.70 2xhd n LYS 218 N 5.13 0.00 -3.89 5.44 2.85 -0.22 -5.02 118.16 122.45 2xhd n LYS 218 Ca -0.08 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.10 2xhd n LYS 218 Cb 0.49 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.80 2xhd n LYS 218 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2xhd s GLY 219 N -0.77 0.19 0.00 2.58 0.00 -1.26 -1.34 107.32 106.72 2xhd s GLY 219 Ca 0.00 -0.72 -0.15 0.00 0.00 0.00 0.00 44.72 43.85 2xhd s GLY 219 CO 0.00 -0.86 0.41 -0.19 0.00 0.00 0.00 173.10 172.46 2xhd s TYR 220 N -3.88 3.73 0.12 1.90 2.02 -0.28 -1.28 117.35 119.68 2xhd s TYR 220 Ca 0.07 1.00 0.04 0.00 -0.37 0.00 0.00 57.07 57.81 2xhd s TYR 220 Cb 0.05 -2.29 -0.04 0.00 -0.40 0.00 0.00 41.96 39.28 2xhd s TYR 220 CO -0.09 0.64 -0.10 0.20 -1.57 0.00 0.00 175.55 174.63 2xhd s GLY 221 N -1.09 0.97 -0.10 0.71 0.00 -0.79 -0.93 107.32 106.08 2xhd s GLY 221 Ca 0.24 -1.36 -0.27 0.00 0.00 0.00 0.00 44.72 43.33 2xhd s GLY 221 CO 0.14 -1.45 0.89 -0.42 0.00 0.00 0.00 173.10 172.25 2xhd s ILE 222 N -2.97 4.88 -0.04 0.90 1.01 -1.26 -4.55 121.20 119.17 2xhd s ILE 222 Ca 0.12 1.80 0.01 0.00 0.00 0.00 0.00 60.65 62.57 2xhd s ILE 222 Cb 0.00 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 2xhd s ILE 222 CO 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 174.94 175.01 2xhd s ALA 223 N 1.65 3.20 0.05 9.38 0.00 -0.90 -0.61 121.76 134.53 2xhd s ALA 223 Ca 0.44 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.51 2xhd s ALA 223 Cb -0.18 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.57 2xhd s ALA 223 CO 0.18 0.61 -0.07 0.95 0.00 0.00 0.00 175.76 177.43 2xhd s THR 224 N -0.97 0.51 0.57 0.00 -4.23 -0.27 -0.63 115.64 110.62 2xhd s THR 224 Ca 0.16 -1.21 -0.19 0.00 -1.18 0.00 0.00 61.69 59.27 2xhd s THR 224 Cb -0.11 -0.76 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 2xhd s THR 224 CO 0.06 -0.49 1.16 -2.84 -0.54 0.00 0.00 174.62 171.97 2xhd s PRO 225 N -1.98 3.16 0.42 3.99 0.02 -1.26 -1.14 135.00 138.21 2xhd s PRO 225 Ca -0.07 1.67 -0.26 0.00 0.02 0.00 0.00 61.00 62.36 2xhd s PRO 225 Cb -0.07 -1.97 -0.10 0.00 0.02 0.00 0.00 34.50 32.38 2xhd s PRO 225 CO -0.01 -1.02 1.35 1.63 -0.33 0.00 0.00 177.00 178.62 2xhd n LYS 226 N -1.52 2.13 -0.90 5.54 5.02 -1.26 -2.13 118.16 125.03 2xhd n LYS 226 Ca 0.12 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 57.17 2xhd n LYS 226 Cb 0.51 -2.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.03 2xhd n LYS 226 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2xhd n GLY 227 N 0.70 0.86 3.75 0.72 0.00 -1.26 -5.02 105.19 104.94 2xhd n GLY 227 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2xhd n GLY 227 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2xhd s SER 228 N -2.77 6.75 0.01 1.61 0.15 -0.91 -4.91 113.70 113.63 2xhd s SER 228 Ca 0.00 2.61 0.19 0.00 0.70 0.00 0.00 55.95 59.45 2xhd s SER 228 Cb 0.00 -2.63 0.82 0.00 -1.71 0.00 0.00 66.02 62.50 2xhd s SER 228 CO 0.00 -0.60 1.62 -1.54 1.20 0.00 0.00 173.24 173.92 2xhd n SER 229 N 1.85 0.03 0.06 5.45 3.41 -1.26 -2.73 113.62 120.44 2xhd n SER 229 Ca 0.04 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.28 2xhd n SER 229 Cb 0.41 -0.51 0.30 0.00 -0.26 0.00 0.00 64.21 64.15 2xhd n SER 229 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2xhd n LEU 230 N -1.53 0.65 0.26 1.04 4.77 -1.26 -4.47 117.00 116.45 2xhd n LEU 230 Ca 0.05 0.34 -0.17 0.00 -0.03 0.00 0.00 56.01 56.19 2xhd n LEU 230 Cb 0.23 -0.26 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 2xhd n LEU 230 CO 0.18 -0.07 0.56 -0.09 -1.33 0.00 0.00 177.39 176.64 2xhd h ARG 231 N 0.00 -0.88 0.07 3.23 2.43 -1.90 -1.22 114.38 116.12 2xhd h ARG 231 Ca 0.00 0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2xhd h ARG 231 Cb 0.69 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2xhd h ARG 231 CO 0.00 -0.58 -0.03 1.15 -1.51 0.00 0.00 179.97 178.99 2xhd h THR 232 N -0.91 1.06 -0.83 0.20 2.02 -1.83 -2.22 112.91 110.40 2xhd h THR 232 Ca -0.04 -0.44 0.10 0.00 0.77 0.00 0.00 66.41 66.79 2xhd h THR 232 Cb 0.81 1.35 -0.07 0.00 -1.74 0.00 0.00 68.15 68.49 2xhd h THR 232 CO -0.08 0.11 0.47 -0.65 0.37 0.00 0.00 175.52 175.74 2xhd h PRO 233 N -0.29 0.75 -0.43 6.66 0.11 -1.79 -1.54 132.00 135.47 2xhd h PRO 233 Ca -0.01 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 2xhd h PRO 233 Cb 0.25 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 2xhd h PRO 233 CO 0.02 0.50 0.10 0.28 -0.21 0.00 0.00 178.00 178.69 2xhd h VAL 234 N 0.78 1.23 -0.27 3.15 2.07 -1.18 -1.00 116.25 121.03 2xhd h VAL 234 Ca 0.40 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 67.14 2xhd h VAL 234 Cb 0.39 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 2xhd h VAL 234 CO -0.26 0.29 0.09 -1.13 0.02 0.00 0.00 177.57 176.58 2xhd h ASN 235 N 0.57 0.11 -0.57 0.57 -1.24 -0.88 -1.31 115.58 112.81 2xhd h ASN 235 Ca 0.14 0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.14 2xhd h ASN 235 Cb 0.32 0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.36 2xhd h ASN 235 CO 0.00 0.09 0.24 -0.07 -1.29 0.00 0.00 177.43 176.41 2xhd h LEU 236 N 0.22 0.81 -0.37 0.34 3.38 -1.17 -2.40 115.31 116.12 2xhd h LEU 236 Ca 0.12 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2xhd h LEU 236 Cb 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2xhd h LEU 236 CO -0.12 0.73 0.20 0.00 0.09 0.00 0.00 178.44 179.33 2xhd h ALA 237 N 1.39 0.47 -0.69 1.53 0.00 -0.73 -1.54 119.26 119.70 2xhd h ALA 237 Ca 0.21 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2xhd h ALA 237 Cb 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2xhd h ALA 237 CO -0.02 0.00 0.40 0.28 0.00 0.00 0.00 179.25 179.91 2xhd h VAL 238 N 0.46 1.01 -0.59 0.00 2.07 -0.95 0.37 116.25 118.63 2xhd h VAL 238 Ca 0.13 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 2xhd h VAL 238 Cb 0.07 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 2xhd h VAL 238 CO -0.02 0.14 0.00 -0.07 0.02 0.00 0.00 177.57 177.64 2xhd h LEU 239 N 0.75 1.01 -0.15 2.57 3.38 -1.24 -0.34 115.31 121.30 2xhd h LEU 239 Ca 0.30 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2xhd h LEU 239 Cb 0.13 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2xhd h LEU 239 CO -0.16 1.07 0.04 0.50 0.09 0.00 0.00 178.44 179.99 2xhd h LYS 240 N 0.93 0.23 -0.75 1.13 3.64 -0.89 -1.17 116.57 119.69 2xhd h LYS 240 Ca 0.17 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2xhd h LYS 240 Cb 0.55 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 2xhd h LYS 240 CO 0.03 0.36 0.50 -0.07 -2.27 0.00 0.00 179.45 178.00 2xhd h LEU 241 N 0.05 0.83 0.40 5.20 3.38 -0.79 -0.25 115.31 124.13 2xhd h LEU 241 Ca 0.05 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2xhd h LEU 241 Cb 0.23 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2xhd h LEU 241 CO -0.00 0.59 -0.19 -1.28 0.09 0.00 0.00 178.44 177.65 2xhd h SER 242 N 0.97 -0.45 0.55 -0.43 0.87 -0.81 -1.55 113.55 112.71 2xhd h SER 242 Ca 0.29 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.75 2xhd h SER 242 Cb -0.04 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2xhd h SER 242 CO -0.07 -0.26 -0.31 -0.33 -0.53 0.00 0.00 176.83 175.32 2xhd h GLU 243 N -0.61 0.00 -0.00 2.24 5.08 -0.86 -2.27 114.58 118.17 2xhd h GLU 243 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2xhd h GLU 243 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2xhd h GLU 243 CO 0.09 0.31 -0.09 1.04 -1.00 0.00 0.00 179.01 179.36 2xhd n GLN 244 N -3.77 0.66 -0.69 2.33 6.02 -0.13 -4.92 117.38 116.88 2xhd n GLN 244 Ca -0.01 -0.19 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 2xhd n GLN 244 Cb 0.40 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.17 2xhd n GLN 244 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2xhd n GLY 245 N 1.27 0.74 0.25 1.08 0.00 -0.85 -4.95 105.19 102.72 2xhd n GLY 245 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 2xhd n GLY 245 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2xhd h VAL 246 N 0.00 1.27 -0.93 1.61 2.07 -1.50 -2.08 116.25 116.69 2xhd h VAL 246 Ca 0.00 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.41 2xhd h VAL 246 Cb 0.00 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 2xhd h VAL 246 CO 0.00 0.38 0.59 -0.07 0.02 0.00 0.00 177.57 178.49 2xhd h LEU 247 N 0.69 1.08 -0.48 2.57 3.38 -1.83 0.26 115.31 120.99 2xhd h LEU 247 Ca 0.13 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2xhd h LEU 247 Cb 0.55 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2xhd h LEU 247 CO 0.03 0.81 0.11 0.44 0.09 0.00 0.00 178.44 179.92 2xhd h ASP 248 N 1.26 0.73 -0.71 -0.43 3.32 -1.84 -1.48 116.42 117.28 2xhd h ASP 248 Ca 0.34 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2xhd h ASP 248 Cb -0.11 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 2xhd h ASP 248 CO -0.07 0.78 0.41 0.11 -1.72 0.00 0.00 179.24 178.75 2xhd h LYS 249 N 0.66 0.98 -0.47 3.56 1.79 -0.82 -0.90 116.57 121.36 2xhd h LYS 249 Ca 0.15 -0.10 -0.12 0.00 -2.18 0.00 0.00 60.65 58.40 2xhd h LYS 249 Cb 0.34 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 2xhd h LYS 249 CO 0.00 0.72 -0.17 -0.07 -1.08 0.00 0.00 179.45 178.84 2xhd h LEU 250 N 0.97 0.93 -0.48 2.94 3.38 -0.85 -1.31 115.31 120.89 2xhd h LEU 250 Ca 0.25 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2xhd h LEU 250 Cb 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2xhd h LEU 250 CO -0.04 1.09 0.26 0.50 0.09 0.00 0.00 178.44 180.34 2xhd h LYS 251 N 0.81 0.67 -0.46 1.13 1.63 -0.97 -2.09 116.57 117.28 2xhd h LYS 251 Ca 0.12 -0.08 -0.08 0.00 -0.85 0.00 0.00 60.65 59.76 2xhd h LYS 251 Cb 0.72 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 2xhd h LYS 251 CO 0.06 0.52 -0.03 -0.91 -3.45 0.00 0.00 179.45 175.64 2xhd h ASN 252 N 0.63 0.75 -0.24 4.20 2.35 -1.01 -1.61 115.58 120.65 2xhd h ASN 252 Ca 0.17 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 2xhd h ASN 252 Cb 0.05 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 2xhd h ASN 252 CO -0.03 0.83 0.07 0.50 -1.65 0.00 0.00 177.43 177.15 2xhd h LYS 253 N 0.72 0.37 0.00 0.81 3.64 -1.06 -2.30 116.57 118.74 2xhd h LYS 253 Ca 0.14 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2xhd h LYS 253 Cb 0.48 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2xhd h LYS 253 CO 0.02 0.46 -0.88 0.91 -2.27 0.00 0.00 179.45 177.69 2xhd n TRP 254 N -4.75 0.27 -0.09 1.91 7.02 -0.80 -3.99 117.44 117.01 2xhd n TRP 254 Ca -0.03 0.08 -0.17 0.00 -1.02 0.00 0.00 57.50 56.36 2xhd n TRP 254 Cb 0.16 -0.43 -0.06 0.00 -2.42 0.00 0.00 31.31 28.56 2xhd n TRP 254 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 2xhd n TRP 255 N -1.91 0.00 -0.05 -5.99 8.01 -0.62 -4.82 117.44 112.07 2xhd n TRP 255 Ca 0.03 0.00 0.02 0.00 -1.31 0.00 0.00 57.50 56.24 2xhd n TRP 255 Cb 0.42 -0.63 -0.16 0.00 -2.01 0.00 0.00 31.31 28.93 2xhd n TRP 255 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2xhd n TYR 256 N -4.06 0.00 -1.05 -5.99 4.02 -1.14 -4.95 117.16 103.98 2xhd n TYR 256 Ca -0.31 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.27 2xhd n TYR 256 Cb 0.65 -0.70 -0.02 0.00 -0.02 0.00 0.00 39.34 39.25 2xhd n TYR 256 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2xhd n ASP 257 N -2.45 5.77 -2.19 7.72 8.00 -0.88 -5.07 116.55 127.45 2xhd n ASP 257 Ca -0.16 -2.49 -0.17 0.00 0.71 0.00 0.00 54.79 52.69 2xhd n ASP 257 Cb 0.81 -1.29 0.02 0.00 -0.02 0.00 0.00 41.12 40.63 2xhd n ASP 257 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81