#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3sqc h TYR 11 N 0.00 0.00 -0.39 0.00 -0.00 -2.00 -3.34 116.97 111.24 3sqc h TYR 11 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 58.73 58.81 3sqc h TYR 11 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 36.73 36.64 3sqc h TYR 11 CO 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 178.16 177.85 3sqc h ALA 12 N 2.27 -0.15 -0.15 0.10 0.00 -2.00 0.16 119.26 119.49 3sqc h ALA 12 Ca 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3sqc h ALA 12 Cb 0.43 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3sqc h ALA 12 CO 0.00 -0.71 -0.24 -0.09 0.00 0.00 0.00 179.25 178.21 3sqc h ARG 13 N -0.24 0.28 -0.27 0.00 2.43 -2.00 -1.65 114.38 112.91 3sqc h ARG 13 Ca 0.17 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3sqc h ARG 13 Cb 0.53 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3sqc h ARG 13 CO -0.53 0.50 0.14 1.15 -1.51 0.00 0.00 179.97 179.73 3sqc h THR 14 N 0.25 1.14 -0.15 0.20 2.02 -1.40 -1.33 112.91 113.63 3sqc h THR 14 Ca 0.04 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 3sqc h THR 14 Cb 0.56 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 3sqc h THR 14 CO 0.04 0.14 0.10 -0.07 0.37 0.00 0.00 175.52 176.10 3sqc h LEU 15 N 0.32 0.18 -0.53 2.58 3.38 -0.31 -0.56 115.31 120.38 3sqc h LEU 15 Ca 0.10 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.11 3sqc h LEU 15 Cb 0.10 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 3sqc h LEU 15 CO -0.01 0.16 0.16 0.44 0.09 0.00 0.00 178.44 179.28 3sqc h ASP 16 N 0.19 0.12 -0.37 -0.43 3.32 -1.06 0.26 116.42 118.44 3sqc h ASP 16 Ca 0.06 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 3sqc h ASP 16 Cb 0.01 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3sqc h ASP 16 CO -0.01 0.09 0.02 0.03 -1.72 0.00 0.00 179.24 177.65 3sqc h ARG 17 N 0.32 0.74 -0.10 3.56 3.08 -0.96 -0.24 114.38 120.78 3sqc h ARG 17 Ca 0.26 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3sqc h ARG 17 Cb 0.32 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 3sqc h ARG 17 CO -0.29 0.74 -0.03 0.00 -1.07 0.00 0.00 179.97 179.32 3sqc h ALA 18 N 1.32 0.14 0.14 0.04 0.00 -0.15 -2.41 119.26 118.34 3sqc h ALA 18 Ca 0.14 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3sqc h ALA 18 Cb 0.41 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3sqc h ALA 18 CO 0.01 -0.12 -0.15 0.28 0.00 0.00 0.00 179.25 179.27 3sqc h VAL 19 N -0.14 0.66 0.00 0.00 2.07 -0.22 -1.40 116.25 117.22 3sqc h VAL 19 Ca 0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3sqc h VAL 19 Cb 0.45 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3sqc h VAL 19 CO 0.01 0.00 -0.05 1.05 0.02 0.00 0.00 177.57 178.60 3sqc h GLU 20 N -0.33 0.00 -0.25 1.57 4.11 -1.08 -1.74 114.58 116.86 3sqc h GLU 20 Ca 0.01 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.27 3sqc h GLU 20 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3sqc h GLU 20 CO -0.05 0.05 -0.51 -0.92 0.07 0.00 0.00 179.01 177.65 3sqc h TYR 21 N 0.00 0.99 -0.80 2.06 3.20 -0.87 -2.77 116.97 118.78 3sqc h TYR 21 Ca -0.00 -0.36 -0.02 0.00 3.14 0.00 0.00 58.73 61.49 3sqc h TYR 21 Cb 0.10 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 3sqc h TYR 21 CO 0.00 1.17 0.43 -0.07 -1.64 0.00 0.00 178.16 178.05 3sqc h LEU 22 N 0.53 1.01 -1.47 2.82 3.38 -0.38 -2.33 115.31 118.86 3sqc h LEU 22 Ca 0.01 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3sqc h LEU 22 Cb 1.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3sqc h LEU 22 CO 0.11 0.82 -0.24 -0.07 0.09 0.00 0.00 178.44 179.15 3sqc h LEU 23 N 1.11 0.00 -0.51 1.67 3.38 -1.43 -2.20 115.31 117.34 3sqc h LEU 23 Ca 0.28 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 3sqc h LEU 23 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3sqc h LEU 23 CO -0.04 0.24 -0.40 0.77 0.09 0.00 0.00 178.44 179.10 3sqc h SER 24 N 0.00 0.00 1.59 -0.43 4.64 -1.13 -3.15 113.55 115.07 3sqc h SER 24 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3sqc h SER 24 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 3sqc h SER 24 CO 0.03 0.40 -0.41 0.00 -0.87 0.00 0.00 176.83 175.98 3sqc s GLN 26 N -3.01 3.81 0.68 0.00 0.74 -1.13 -4.78 119.66 115.96 3sqc s GLN 26 Ca 0.05 2.46 -0.09 0.00 0.05 0.00 0.00 55.36 57.82 3sqc s GLN 26 Cb 0.07 -2.74 0.03 0.00 1.10 0.00 0.00 33.01 31.47 3sqc s GLN 26 CO 0.73 -0.73 1.03 0.15 -0.55 0.00 0.00 175.29 175.92 3sqc s LYS 27 N -2.35 2.63 0.22 1.67 3.01 -0.69 -4.99 119.74 119.24 3sqc s LYS 27 Ca 0.59 0.13 -0.07 0.00 -1.01 0.00 0.00 55.97 55.61 3sqc s LYS 27 Cb -0.44 -2.12 0.17 0.00 -1.01 0.00 0.00 37.83 34.43 3sqc s LYS 27 CO 0.58 -1.04 1.79 -0.44 0.51 0.00 0.00 175.35 176.75 3sqc h ASP 28 N -0.55 1.11 0.03 2.83 5.19 -1.95 -2.50 116.42 120.58 3sqc h ASP 28 Ca -0.45 -0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 55.80 3sqc h ASP 28 Cb 1.28 -0.29 -0.00 0.00 0.18 0.00 0.00 39.33 40.50 3sqc h ASP 28 CO 0.62 0.97 -0.01 -0.33 -3.12 0.00 0.00 179.24 177.37 3sqc h GLU 29 N 1.18 0.00 0.00 3.56 3.07 -1.99 -3.46 114.58 116.94 3sqc h GLU 29 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 3sqc h GLU 29 Cb 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 3sqc h GLU 29 CO -0.03 0.01 0.00 0.41 -1.40 0.00 0.00 179.01 178.00 3sqc n GLY 30 N -1.19 1.07 3.94 -3.84 0.00 -0.94 -4.77 105.19 99.46 3sqc n GLY 30 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 3sqc n GLY 30 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3sqc s TYR 31 N -2.00 2.88 0.10 1.61 -0.85 -1.26 -3.69 117.35 114.14 3sqc s TYR 31 Ca 0.00 -0.36 0.07 0.00 -0.52 0.00 0.00 57.07 56.27 3sqc s TYR 31 Cb 0.00 -2.11 -0.04 0.00 0.38 0.00 0.00 41.96 40.19 3sqc s TYR 31 CO 0.00 -0.12 -0.12 -1.58 -1.52 0.00 0.00 175.55 172.21 3sqc s TRP 32 N -2.33 2.69 -0.36 -3.49 0.51 -1.26 -1.71 118.94 112.99 3sqc s TRP 32 Ca 0.48 -0.18 0.07 0.00 -2.12 0.00 0.00 56.10 54.35 3sqc s TRP 32 Cb -0.07 -1.43 0.19 0.00 -0.81 0.00 0.00 33.47 31.35 3sqc s TRP 32 CO 0.30 0.40 0.61 -0.46 -0.51 0.00 0.00 176.95 177.29 3sqc s TRP 33 N -1.17 -1.78 0.22 -1.98 -0.00 -1.26 -3.76 118.94 109.21 3sqc s TRP 33 Ca 0.20 0.58 -0.12 0.00 -0.00 0.00 0.00 56.10 56.75 3sqc s TRP 33 Cb -0.11 0.31 -0.07 0.00 -0.00 0.00 0.00 33.47 33.60 3sqc s TRP 33 CO 0.12 -1.14 0.59 0.20 -0.00 0.00 0.00 176.95 176.72 3sqc s GLY 34 N 2.24 2.36 0.82 5.86 0.00 -1.26 -5.02 107.32 112.32 3sqc s GLY 34 Ca 0.14 -0.15 -0.12 0.00 0.00 0.00 0.00 44.72 44.59 3sqc s GLY 34 CO -0.15 0.05 1.15 -4.14 0.00 0.00 0.00 173.10 170.01 3sqc s PRO 35 N -2.53 1.70 -0.21 2.90 0.02 -1.26 -4.59 135.00 131.03 3sqc s PRO 35 Ca 0.45 1.50 -0.04 0.00 0.02 0.00 0.00 61.00 62.92 3sqc s PRO 35 Cb -0.13 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.57 3sqc s PRO 35 CO 0.20 -2.12 -0.02 -1.17 -0.33 0.00 0.00 177.00 173.56 3sqc s LEU 36 N -5.99 3.08 -0.11 -5.54 2.96 -1.26 -3.32 118.68 108.50 3sqc s LEU 36 Ca 0.67 -0.29 -0.14 0.00 -0.22 0.00 0.00 54.13 54.14 3sqc s LEU 36 Cb -0.23 -1.79 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 3sqc s LEU 36 CO 0.53 0.02 0.35 -0.76 -1.32 0.00 0.00 176.35 175.17 3sqc s LEU 37 N 1.24 4.31 0.00 -0.68 1.02 0.25 -4.48 118.68 120.34 3sqc s LEU 37 Ca 0.03 0.67 0.00 0.00 0.02 0.00 0.00 54.13 54.86 3sqc s LEU 37 Cb -0.14 -2.47 0.00 0.00 0.02 0.00 0.00 46.19 43.60 3sqc s LEU 37 CO 0.00 0.15 0.00 -1.54 0.02 0.00 0.00 176.35 174.98 3sqc n SER 38 N 3.10 0.00 -3.46 2.29 3.41 -1.26 0.50 113.62 118.20 3sqc n SER 38 Ca -0.12 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.36 3sqc n SER 38 Cb 0.52 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 3sqc n SER 38 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3sqc s ASN 39 N 1.00 -0.57 0.51 4.04 2.20 -1.26 -4.80 114.94 116.06 3sqc s ASN 39 Ca 0.00 0.16 0.19 0.00 -0.94 0.00 0.00 52.86 52.27 3sqc s ASN 39 Cb 0.00 0.57 0.65 0.00 -2.00 0.00 0.00 41.25 40.47 3sqc s ASN 39 CO 0.00 -0.87 1.04 0.52 -2.94 0.00 0.00 177.10 174.85 3sqc n VAL 40 N -0.04 0.00 0.25 3.54 0.31 -1.26 -2.63 118.33 118.49 3sqc n VAL 40 Ca -0.17 1.01 0.09 0.00 -0.01 0.00 0.00 64.34 65.26 3sqc n VAL 40 Cb 0.63 -1.84 0.62 0.00 -0.91 0.00 0.00 33.84 32.34 3sqc n VAL 40 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3sqc h THR 41 N 0.00 0.88 0.35 2.52 1.35 -1.97 -1.37 112.91 114.67 3sqc h THR 41 Ca 0.35 -0.51 -0.01 0.00 -0.55 0.00 0.00 66.41 65.70 3sqc h THR 41 Cb 2.33 1.29 -0.02 0.00 -1.73 0.00 0.00 68.15 70.03 3sqc h THR 41 CO -0.00 0.13 -0.29 0.24 -0.25 0.00 0.00 175.52 175.35 3sqc h MET 42 N 0.00 -0.62 0.00 4.72 2.86 -1.84 0.49 114.93 120.53 3sqc h MET 42 Ca -0.00 0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.56 3sqc h MET 42 Cb 0.28 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 3sqc h MET 42 CO 0.02 -0.42 -0.55 1.05 1.06 0.00 0.00 176.91 178.07 3sqc h GLU 43 N -0.65 0.00 -0.50 1.72 9.09 -1.78 -0.50 114.58 121.96 3sqc h GLU 43 Ca -0.03 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.27 3sqc h GLU 43 Cb 0.57 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.65 3sqc h GLU 43 CO -0.02 0.55 -0.13 0.00 0.05 0.00 0.00 179.01 179.46 3sqc h ALA 44 N 1.45 0.82 0.00 1.06 0.00 -1.03 -1.41 119.26 120.15 3sqc h ALA 44 Ca -0.01 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.36 3sqc h ALA 44 Cb 1.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3sqc h ALA 44 CO 0.07 0.66 -0.88 0.93 0.00 0.00 0.00 179.25 180.03 3sqc h GLU 45 N 0.85 0.19 -0.73 0.00 5.08 -0.80 -2.85 114.58 116.32 3sqc h GLU 45 Ca 0.13 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3sqc h GLU 45 Cb 0.68 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 3sqc h GLU 45 CO 0.05 0.95 0.46 -0.92 -1.00 0.00 0.00 179.01 178.55 3sqc h TYR 46 N 0.10 0.93 -0.47 4.33 5.03 -0.83 0.38 116.97 126.45 3sqc h TYR 46 Ca -0.04 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.28 3sqc h TYR 46 Cb 1.51 -0.31 -0.02 0.00 1.55 0.00 0.00 36.73 39.46 3sqc h TYR 46 CO 0.03 0.60 0.30 0.28 -1.32 0.00 0.00 178.16 178.05 3sqc h VAL 47 N 0.99 1.13 -0.47 1.81 2.07 -1.20 -0.29 116.25 120.28 3sqc h VAL 47 Ca 0.26 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 3sqc h VAL 47 Cb -0.08 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3sqc h VAL 47 CO -0.05 0.13 0.00 -0.07 0.02 0.00 0.00 177.57 177.59 3sqc h LEU 48 N 0.63 0.82 -0.26 2.57 3.38 -1.17 -2.78 115.31 118.49 3sqc h LEU 48 Ca 0.17 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.89 3sqc h LEU 48 Cb -0.05 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.42 3sqc h LEU 48 CO -0.04 0.92 -0.13 0.25 0.09 0.00 0.00 178.44 179.54 3sqc h LEU 49 N 0.69 -0.43 -0.70 1.67 5.85 0.11 -1.60 115.31 120.90 3sqc h LEU 49 Ca 0.13 0.10 0.14 0.00 0.84 0.00 0.00 57.88 59.10 3sqc h LEU 49 Cb 0.50 0.23 -0.10 0.00 0.37 0.00 0.00 40.66 41.67 3sqc h LEU 49 CO 0.02 -0.16 0.20 0.00 -0.34 0.00 0.00 178.44 178.17 3sqc h HIS 51 N 0.32 0.39 -0.51 0.00 -0.00 -1.06 -0.31 115.15 113.99 3sqc h HIS 51 Ca 0.39 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.75 3sqc h HIS 51 Cb 0.61 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.87 3sqc h HIS 51 CO -0.23 0.29 0.31 0.82 -0.00 0.00 0.00 177.93 179.13 3sqc h ILE 52 N 0.38 1.15 -0.00 6.26 2.04 -0.54 -1.95 117.51 124.86 3sqc h ILE 52 Ca 0.11 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3sqc h ILE 52 Cb 0.01 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3sqc h ILE 52 CO -0.02 0.15 0.00 0.18 0.00 0.00 0.00 178.15 178.46 3sqc n LEU 53 N -4.69 0.11 -3.67 1.44 4.77 -0.26 -4.92 117.00 109.77 3sqc n LEU 53 Ca 0.02 -0.04 -0.27 0.00 -0.03 0.00 0.00 56.01 55.70 3sqc n LEU 53 Cb 0.05 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.18 3sqc n LEU 53 CO 0.36 0.02 0.12 -0.67 -1.33 0.00 0.00 177.39 175.88 3sqc n ASP 54 N -0.91 -5.31 -3.25 -1.43 2.03 -0.27 -4.93 116.55 102.47 3sqc n ASP 54 Ca 0.24 -0.62 -0.25 0.00 0.52 0.00 0.00 54.79 54.68 3sqc n ASP 54 Cb 0.13 -4.24 -0.07 0.00 -0.72 0.00 0.00 41.12 36.23 3sqc n ASP 54 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3sqc n ARG 55 N -4.60 1.58 -3.32 -0.67 1.74 -0.35 -5.04 116.66 106.00 3sqc n ARG 55 Ca 0.01 -3.88 -0.40 0.00 -0.77 0.00 0.00 57.85 52.82 3sqc n ARG 55 Cb 0.55 -1.71 -0.08 0.00 -1.02 0.00 0.00 32.46 30.19 3sqc n ARG 55 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3sqc s VAL 56 N -2.05 5.11 -0.48 1.55 1.01 -1.26 -4.82 120.40 119.46 3sqc s VAL 56 Ca 0.38 0.58 -0.16 0.00 0.00 0.00 0.00 61.98 62.79 3sqc s VAL 56 Cb 0.19 -3.80 0.08 0.00 0.00 0.00 0.00 36.38 32.85 3sqc s VAL 56 CO -0.08 0.05 0.41 -0.62 0.00 0.00 0.00 175.10 174.86 3sqc s ASP 57 N 1.64 6.15 0.30 3.32 2.15 -1.26 -4.96 116.67 124.01 3sqc s ASP 57 Ca 0.17 -1.35 0.04 0.00 0.43 0.00 0.00 52.55 51.84 3sqc s ASP 57 Cb -0.16 -2.19 0.76 0.00 -0.30 0.00 0.00 42.92 41.04 3sqc s ASP 57 CO 0.10 -0.67 1.66 0.03 -0.17 0.00 0.00 175.17 176.12 3sqc h ARG 58 N 8.77 0.25 0.05 4.34 2.47 -1.99 -0.54 114.38 127.72 3sqc h ARG 58 Ca -0.29 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.42 3sqc h ARG 58 Cb 1.11 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 3sqc h ARG 58 CO 0.89 0.16 -0.02 0.22 0.56 0.00 0.00 179.97 181.78 3sqc h ASP 59 N 0.25 -0.05 -0.74 7.04 1.82 -2.01 -2.56 116.42 120.18 3sqc h ASP 59 Ca 0.58 -0.06 0.02 0.00 -0.39 0.00 0.00 57.03 57.18 3sqc h ASP 59 Cb 1.18 0.01 -0.04 0.00 0.68 0.00 0.00 39.33 41.16 3sqc h ASP 59 CO -0.63 0.02 0.49 -0.09 -1.61 0.00 0.00 179.24 177.42 3sqc h ARG 60 N -0.12 0.94 -0.41 0.28 9.65 -1.58 -2.06 114.38 121.08 3sqc h ARG 60 Ca -0.01 -0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 58.78 3sqc h ARG 60 Cb 0.10 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.45 3sqc h ARG 60 CO 0.01 0.62 0.09 0.52 2.80 0.00 0.00 179.97 184.01 3sqc h MET 61 N 0.97 0.61 -0.00 0.20 2.86 -0.90 -2.39 114.93 116.28 3sqc h MET 61 Ca 0.28 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3sqc h MET 61 Cb -0.06 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.49 3sqc h MET 61 CO -0.07 0.57 0.00 0.93 1.06 0.00 0.00 176.91 179.40 3sqc h GLU 62 N 0.60 0.00 0.00 1.72 4.39 -0.98 -0.83 114.58 119.48 3sqc h GLU 62 Ca 0.14 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 3sqc h GLU 62 Cb 0.24 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3sqc h GLU 62 CO -0.00 0.26 -0.02 0.87 -1.16 0.00 0.00 179.01 178.96 3sqc h LYS 63 N -0.25 0.00 0.07 2.33 1.57 -1.32 -0.48 116.57 118.48 3sqc h LYS 63 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 3sqc h LYS 63 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3sqc h LYS 63 CO 0.00 0.02 -1.39 0.82 -0.57 0.00 0.00 179.45 178.33 3sqc h ILE 64 N 0.00 1.29 -0.18 1.86 2.04 -1.07 -1.62 117.51 119.83 3sqc h ILE 64 Ca -0.00 -2.98 -0.02 0.00 1.00 0.00 0.00 64.86 62.86 3sqc h ILE 64 Cb 0.08 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 3sqc h ILE 64 CO 0.00 0.81 0.03 -0.09 0.00 0.00 0.00 178.15 178.90 3sqc h ARG 65 N 0.04 0.30 -0.98 2.37 2.43 0.34 -0.32 114.38 118.56 3sqc h ARG 65 Ca -0.18 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 58.94 3sqc h ARG 65 Cb 1.94 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 31.40 3sqc h ARG 65 CO 0.14 0.46 0.65 0.00 -1.51 0.00 0.00 179.97 179.71 3sqc h ARG 66 N 0.09 1.23 0.18 0.20 3.08 -1.41 -1.59 114.38 116.17 3sqc h ARG 66 Ca 0.05 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3sqc h ARG 66 Cb 0.31 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3sqc h ARG 66 CO 0.00 0.82 -0.09 -0.92 -1.07 0.00 0.00 179.97 178.71 3sqc h TYR 67 N 1.27 -0.23 -0.86 3.04 3.20 -1.35 0.33 116.97 122.36 3sqc h TYR 67 Ca 0.38 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.34 3sqc h TYR 67 Cb -0.04 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.23 3sqc h TYR 67 CO -0.00 0.14 0.51 -0.07 -1.64 0.00 0.00 178.16 177.11 3sqc h LEU 68 N -0.66 0.75 -0.03 2.82 3.38 -0.93 -0.77 115.31 119.87 3sqc h LEU 68 Ca -0.03 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3sqc h LEU 68 Cb 0.48 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3sqc h LEU 68 CO 0.04 0.44 -0.01 -0.07 0.09 0.00 0.00 178.44 178.93 3sqc h LEU 69 N 0.87 0.07 -2.23 1.67 4.07 -1.28 -2.39 115.31 116.08 3sqc h LEU 69 Ca 0.41 -0.41 0.03 0.00 0.08 0.00 0.00 57.88 57.99 3sqc h LEU 69 Cb 0.34 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.05 3sqc h LEU 69 CO -0.23 0.47 0.26 -0.74 -1.08 0.00 0.00 178.44 177.11 3sqc h HIS 70 N -0.33 0.00 0.00 1.13 -0.00 -0.39 -1.19 115.15 114.38 3sqc h HIS 70 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.35 3sqc h HIS 70 Cb 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.84 3sqc h HIS 70 CO 0.07 0.00 -1.15 0.39 -0.00 0.00 0.00 177.93 177.23 3sqc n GLU 71 N -3.30 0.61 -2.11 5.26 -0.58 -0.34 -4.93 120.64 115.25 3sqc n GLU 71 Ca 0.00 0.12 -0.38 0.00 -0.42 0.00 0.00 57.16 56.48 3sqc n GLU 71 Cb 0.35 -1.80 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 3sqc n GLU 71 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3sqc s GLN 72 N -3.29 3.70 0.52 3.49 0.74 -0.45 -4.81 119.66 119.56 3sqc s GLN 72 Ca -0.02 1.98 0.05 0.00 0.05 0.00 0.00 55.36 57.42 3sqc s GLN 72 Cb 0.10 -2.49 0.04 0.00 1.10 0.00 0.00 33.01 31.76 3sqc s GLN 72 CO 0.80 -0.65 0.72 1.03 -0.55 0.00 0.00 175.29 176.64 3sqc s ARG 73 N -2.59 2.53 0.29 1.67 3.00 -0.46 -4.94 118.95 118.45 3sqc s ARG 73 Ca 0.63 -1.11 0.04 0.00 0.00 0.00 0.00 55.73 55.29 3sqc s ARG 73 Cb -0.34 -2.60 0.67 0.00 0.00 0.00 0.00 34.95 32.68 3sqc s ARG 73 CO 0.41 -0.64 1.78 0.93 0.00 0.00 0.00 175.30 177.78 3sqc h GLU 74 N 0.24 0.72 0.00 3.54 5.08 -1.97 0.21 114.58 122.41 3sqc h GLU 74 Ca -0.39 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3sqc h GLU 74 Cb 1.29 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3sqc h GLU 74 CO 0.47 0.48 0.00 -0.40 -1.00 0.00 0.00 179.01 178.55 3sqc n ASP 75 N -4.79 0.00 -0.06 1.42 5.68 -1.26 -4.84 116.55 112.71 3sqc n ASP 75 Ca 0.21 0.27 -0.01 0.00 -0.50 0.00 0.00 54.79 54.77 3sqc n ASP 75 Cb 0.52 -0.35 -0.00 0.00 -1.14 0.00 0.00 41.12 40.15 3sqc n ASP 75 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3sqc n GLY 76 N -0.69 0.38 3.48 6.12 0.00 0.74 -4.50 105.19 110.72 3sqc n GLY 76 Ca 0.03 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.86 3sqc n GLY 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3sqc s THR 77 N -2.03 1.83 0.10 2.61 -4.23 -1.25 -3.26 115.64 109.42 3sqc s THR 77 Ca 0.00 -2.13 0.10 0.00 -1.18 0.00 0.00 61.69 58.48 3sqc s THR 77 Cb 0.00 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 3sqc s THR 77 CO 0.00 -0.22 -0.25 0.26 -0.54 0.00 0.00 174.62 173.87 3sqc s TRP 78 N -2.88 2.36 0.51 3.99 0.51 -1.26 -1.36 118.94 120.82 3sqc s TRP 78 Ca 0.32 -0.36 0.02 0.00 -2.12 0.00 0.00 56.10 53.96 3sqc s TRP 78 Cb 0.04 -1.31 -0.00 0.00 -0.81 0.00 0.00 33.47 31.39 3sqc s TRP 78 CO 0.14 0.29 0.08 0.00 -0.51 0.00 0.00 176.95 176.96 3sqc s ALA 79 N -1.01 4.15 -0.00 0.98 0.00 -1.26 -1.48 121.76 123.14 3sqc s ALA 79 Ca 0.14 -0.62 -0.12 0.00 0.00 0.00 0.00 51.96 51.36 3sqc s ALA 79 Cb -0.10 -0.13 -0.33 0.00 0.00 0.00 0.00 23.12 22.56 3sqc s ALA 79 CO 0.06 -0.11 0.85 -0.07 0.00 0.00 0.00 175.76 176.49 3sqc h LEU 80 N 1.24 0.70 -8.66 0.00 3.38 -1.89 -3.44 115.31 106.64 3sqc h LEU 80 Ca -0.43 -0.87 -0.44 0.00 0.09 0.00 0.00 57.88 56.24 3sqc h LEU 80 Cb 1.31 -0.23 -0.18 0.00 0.09 0.00 0.00 40.66 41.65 3sqc h LEU 80 CO 0.71 1.71 -0.76 -0.72 0.09 0.00 0.00 178.44 179.47 3sqc s TYR 81 N -2.59 1.49 0.10 1.13 1.13 -1.26 -4.59 117.35 112.75 3sqc s TYR 81 Ca -0.12 -0.55 -0.31 0.00 -1.41 0.00 0.00 57.07 54.69 3sqc s TYR 81 Cb 0.05 -0.77 -0.09 0.00 -1.10 0.00 0.00 41.96 40.05 3sqc s TYR 81 CO 0.90 0.19 1.75 -1.25 -2.51 0.00 0.00 175.55 174.63 3sqc s PRO 82 N -2.77 4.16 0.00 -3.49 0.04 -1.26 -1.24 135.00 130.44 3sqc s PRO 82 Ca 0.11 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.63 3sqc s PRO 82 Cb -0.05 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.88 3sqc s PRO 82 CO 0.04 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.69 3sqc n GLY 83 N 4.14 0.88 3.90 0.56 0.00 -1.26 -4.80 105.19 108.61 3sqc n GLY 83 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 3sqc n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3sqc s GLY 84 N -1.59 1.62 0.80 -0.02 0.00 -0.38 -5.04 107.32 102.71 3sqc s GLY 84 Ca 0.00 -0.63 -0.13 0.00 0.00 0.00 0.00 44.72 43.96 3sqc s GLY 84 CO 0.00 -0.21 1.18 2.56 0.00 0.00 0.00 173.10 176.63 3sqc s PRO 85 N -5.39 1.74 0.26 2.90 0.04 -1.26 -4.79 135.00 128.49 3sqc s PRO 85 Ca 0.60 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 63.01 3sqc s PRO 85 Cb -0.11 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.53 3sqc s PRO 85 CO 0.48 -2.12 1.53 -1.25 0.04 0.00 0.00 177.00 175.69 3sqc s PRO 86 N -4.21 4.19 -0.20 0.56 0.04 -1.26 -4.45 135.00 129.66 3sqc s PRO 86 Ca 0.71 2.44 -0.08 0.00 0.04 0.00 0.00 61.00 64.11 3sqc s PRO 86 Cb -0.27 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 3sqc s PRO 86 CO 0.50 -0.54 0.07 0.34 0.04 0.00 0.00 177.00 177.41 3sqc s ASP 87 N 0.53 5.53 0.06 6.66 -1.08 -0.55 -4.99 116.67 122.84 3sqc s ASP 87 Ca 0.63 0.01 -0.27 0.00 -0.52 0.00 0.00 52.55 52.40 3sqc s ASP 87 Cb -0.45 -1.96 -0.17 0.00 -1.46 0.00 0.00 42.92 38.88 3sqc s ASP 87 CO 0.43 0.11 1.57 0.25 0.52 0.00 0.00 175.17 178.06 3sqc h LEU 88 N 7.15 -0.31 0.14 -1.34 5.85 -1.94 -2.24 115.31 122.61 3sqc h LEU 88 Ca -0.37 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3sqc h LEU 88 Cb 1.17 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 3sqc h LEU 88 CO 0.66 -0.14 -0.35 0.44 -0.34 0.00 0.00 178.44 178.72 3sqc h ASP 89 N -0.47 -1.02 -0.75 1.25 3.32 -1.95 -0.16 116.42 116.65 3sqc h ASP 89 Ca -0.04 0.10 0.17 0.00 0.02 0.00 0.00 57.03 57.28 3sqc h ASP 89 Cb 0.35 0.37 -0.12 0.00 0.22 0.00 0.00 39.33 40.15 3sqc h ASP 89 CO 0.06 -0.39 0.11 0.74 -1.72 0.00 0.00 179.24 178.05 3sqc h THR 90 N -0.54 0.43 -0.34 0.35 2.02 -1.90 -0.44 112.91 112.49 3sqc h THR 90 Ca -0.01 -0.07 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 3sqc h THR 90 Cb 0.52 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 3sqc h THR 90 CO -0.15 0.03 -0.12 0.74 0.37 0.00 0.00 175.52 176.39 3sqc h THR 91 N 0.19 1.24 -0.22 3.16 2.02 -1.07 0.71 112.91 118.93 3sqc h THR 91 Ca 0.42 -1.08 -0.09 0.00 0.77 0.00 0.00 66.41 66.44 3sqc h THR 91 Cb 0.75 1.12 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 3sqc h THR 91 CO -0.58 0.36 -0.22 0.40 0.37 0.00 0.00 175.52 175.85 3sqc h ILE 92 N 0.54 1.32 -0.36 3.11 2.04 0.55 -0.42 117.51 124.29 3sqc h ILE 92 Ca 0.10 -1.37 -0.12 0.00 1.00 0.00 0.00 64.86 64.46 3sqc h ILE 92 Cb 0.53 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 3sqc h ILE 92 CO 0.03 0.42 -0.28 -0.33 0.00 0.00 0.00 178.15 177.99 3sqc h GLU 93 N 0.23 0.75 -0.49 2.37 5.08 -1.11 -0.08 114.58 121.33 3sqc h GLU 93 Ca 0.04 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 3sqc h GLU 93 Cb 0.76 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 3sqc h GLU 93 CO 0.05 0.94 0.17 0.00 -1.00 0.00 0.00 179.01 179.17 3sqc h ALA 94 N 1.04 0.65 -0.07 3.43 0.00 -0.79 -0.73 119.26 122.79 3sqc h ALA 94 Ca 0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3sqc h ALA 94 Cb 0.80 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3sqc h ALA 94 CO 0.07 0.29 0.04 -0.92 0.00 0.00 0.00 179.25 178.73 3sqc h TYR 95 N 0.66 0.09 -0.89 0.00 5.03 -0.83 -0.94 116.97 120.10 3sqc h TYR 95 Ca 0.16 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.46 3sqc h TYR 95 Cb 0.25 -0.03 -0.04 0.00 1.55 0.00 0.00 36.73 38.46 3sqc h TYR 95 CO 0.01 0.11 0.52 0.28 -1.32 0.00 0.00 178.16 177.77 3sqc h VAL 96 N 0.05 1.25 0.27 1.81 2.07 -0.73 -0.38 116.25 120.58 3sqc h VAL 96 Ca 0.03 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3sqc h VAL 96 Cb 0.05 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 3sqc h VAL 96 CO -0.00 0.27 -0.13 0.00 0.02 0.00 0.00 177.57 177.72 3sqc h ALA 97 N 1.34 -0.36 -0.71 1.67 0.00 -0.90 -2.34 119.26 117.96 3sqc h ALA 97 Ca 0.32 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.19 3sqc h ALA 97 Cb -0.03 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3sqc h ALA 97 CO -0.06 -0.66 0.39 -0.07 0.00 0.00 0.00 179.25 178.85 3sqc h LEU 98 N -0.45 0.55 -1.18 0.00 3.38 -0.62 0.36 115.31 117.35 3sqc h LEU 98 Ca -0.04 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3sqc h LEU 98 Cb 0.34 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3sqc h LEU 98 CO 0.06 0.34 -0.00 0.50 0.09 0.00 0.00 178.44 179.43 3sqc h LYS 99 N 0.69 0.56 -0.21 1.13 3.64 -1.00 -2.15 116.57 119.23 3sqc h LYS 99 Ca 0.33 -0.12 -0.13 0.00 -1.27 0.00 0.00 60.65 59.46 3sqc h LYS 99 Cb 0.27 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3sqc h LYS 99 CO -0.22 0.59 -0.37 -0.92 -2.27 0.00 0.00 179.45 176.26 3sqc h TYR 100 N 0.54 0.78 -0.62 1.91 3.20 -0.68 -3.13 116.97 118.97 3sqc h TYR 100 Ca 0.11 -0.27 0.05 0.00 3.14 0.00 0.00 58.73 61.76 3sqc h TYR 100 Cb 0.35 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 3sqc h TYR 100 CO 0.01 1.03 0.41 0.82 -1.64 0.00 0.00 178.16 178.79 3sqc h ILE 101 N 0.31 1.04 0.00 1.81 2.04 -0.55 -3.46 117.51 118.71 3sqc h ILE 101 Ca 0.01 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3sqc h ILE 101 Cb 0.97 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3sqc h ILE 101 CO 0.08 0.12 0.00 0.61 0.00 0.00 0.00 178.15 178.97 3sqc n GLY 102 N -1.46 0.77 3.74 5.37 0.00 -0.85 -5.05 105.19 107.71 3sqc n GLY 102 Ca 0.08 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3sqc n GLY 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3sqc n MET 103 N 0.00 2.49 -3.14 1.61 2.81 -1.10 -4.99 117.12 114.82 3sqc n MET 103 Ca 0.00 0.88 -0.28 0.00 -1.81 0.00 0.00 57.70 56.49 3sqc n MET 103 Cb 0.00 -2.57 -0.02 0.00 -0.71 0.00 0.00 33.22 29.92 3sqc n MET 103 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3sqc s SER 104 N -0.07 6.39 0.62 7.83 1.04 -1.26 -4.36 113.70 123.89 3sqc s SER 104 Ca 0.56 0.77 0.42 0.00 0.48 0.00 0.00 55.95 58.17 3sqc s SER 104 Cb -0.51 -2.17 2.27 0.00 0.10 0.00 0.00 66.02 65.71 3sqc s SER 104 CO 0.61 -0.32 2.28 0.08 0.98 0.00 0.00 173.24 176.86 3sqc h ARG 105 N 1.15 0.00 -0.20 4.02 0.11 -1.96 -2.84 114.38 114.65 3sqc h ARG 105 Ca -0.48 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.44 3sqc h ARG 105 Cb 1.20 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.27 3sqc h ARG 105 CO 0.64 0.00 -0.54 -0.44 0.10 0.00 0.00 179.97 179.73 3sqc h ASP 106 N 0.00 0.66 -3.24 0.08 3.32 -1.96 -3.33 116.42 111.94 3sqc h ASP 106 Ca 0.00 -0.35 -0.57 0.00 0.02 0.00 0.00 57.03 56.13 3sqc h ASP 106 Cb 0.01 -0.19 0.11 0.00 0.22 0.00 0.00 39.33 39.48 3sqc h ASP 106 CO 0.00 1.07 0.47 -0.62 -1.72 0.00 0.00 179.24 178.44 3sqc n GLU 107 N -3.97 2.05 -0.34 3.56 1.02 -1.08 -4.64 120.64 117.25 3sqc n GLU 107 Ca -0.03 0.72 -0.02 0.00 -0.02 0.00 0.00 57.16 57.80 3sqc n GLU 107 Cb 0.60 -2.28 0.01 0.00 -0.02 0.00 0.00 31.44 29.75 3sqc n GLU 107 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3sqc n GLU 108 N 0.56 -0.23 -0.32 3.49 -0.58 -1.26 -0.66 120.64 121.64 3sqc n GLU 108 Ca 0.05 1.33 -0.04 0.00 -0.42 0.00 0.00 57.16 58.08 3sqc n GLU 108 Cb 0.36 -1.97 0.08 0.00 -0.57 0.00 0.00 31.44 29.33 3sqc n GLU 108 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3sqc h PRO 109 N 0.00 1.15 0.00 3.49 0.11 -1.96 -2.78 132.00 132.01 3sqc h PRO 109 Ca 0.27 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 3sqc h PRO 109 Cb 0.49 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.36 3sqc h PRO 109 CO -0.85 0.80 -0.00 0.52 -0.21 0.00 0.00 178.00 178.26 3sqc h MET 110 N 1.17 -0.00 0.13 1.05 2.86 -1.19 -2.77 114.93 116.18 3sqc h MET 110 Ca 0.31 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.97 3sqc h MET 110 Cb -0.06 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.56 3sqc h MET 110 CO -0.06 0.14 -0.42 1.96 1.06 0.00 0.00 176.91 179.59 3sqc h GLN 111 N -0.14 -0.64 -0.75 1.72 1.08 -0.91 0.24 115.11 115.72 3sqc h GLN 111 Ca -0.00 0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.34 3sqc h GLN 111 Cb 0.14 0.15 -0.07 0.00 -0.05 0.00 0.00 27.48 27.64 3sqc h GLN 111 CO 0.00 -0.43 0.39 0.87 -0.95 0.00 0.00 178.83 178.71 3sqc h LYS 112 N -0.66 0.64 0.45 1.46 1.57 -1.55 0.41 116.57 118.88 3sqc h LYS 112 Ca 0.02 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3sqc h LYS 112 Cb 0.69 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3sqc h LYS 112 CO -0.24 0.42 -0.21 0.00 -0.57 0.00 0.00 179.45 178.85 3sqc h ALA 113 N 1.44 -0.60 -0.79 3.86 0.00 -1.19 -2.57 119.26 119.41 3sqc h ALA 113 Ca 0.37 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.22 3sqc h ALA 113 Cb 0.37 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 3sqc h ALA 113 CO -0.26 -0.76 0.40 1.25 0.00 0.00 0.00 179.25 179.88 3sqc h LEU 114 N -0.76 0.51 -1.03 0.00 6.46 -0.50 -0.55 115.31 119.44 3sqc h LEU 114 Ca -0.06 0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 57.73 3sqc h LEU 114 Cb 0.54 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 3sqc h LEU 114 CO 0.10 0.26 0.18 0.03 -0.62 0.00 0.00 178.44 178.38 3sqc h ARG 115 N 0.63 0.87 -0.31 1.25 3.08 -0.85 0.04 114.38 119.09 3sqc h ARG 115 Ca 0.41 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 60.22 3sqc h ARG 115 Cb 0.49 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3sqc h ARG 115 CO -0.31 0.76 -0.10 0.35 -1.07 0.00 0.00 179.97 179.60 3sqc h PHE 116 N 0.85 0.69 0.17 3.04 3.57 -0.82 -1.33 116.94 123.11 3sqc h PHE 116 Ca 0.19 -0.16 0.01 0.00 3.53 0.00 0.00 57.97 61.55 3sqc h PHE 116 Cb 0.25 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 3sqc h PHE 116 CO 0.02 0.81 -0.26 0.82 -2.23 0.00 0.00 178.31 177.47 3sqc h ILE 117 N 0.38 0.44 -0.81 1.41 2.04 -0.67 -2.68 117.51 117.62 3sqc h ILE 117 Ca 0.08 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.95 3sqc h ILE 117 Cb 0.60 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 3sqc h ILE 117 CO 0.03 0.00 0.54 1.56 0.00 0.00 0.00 178.15 180.28 3sqc h GLN 118 N -0.50 1.03 0.00 2.37 4.20 -0.97 -0.38 115.11 120.87 3sqc h GLN 118 Ca 0.02 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3sqc h GLN 118 Cb 0.49 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3sqc h GLN 118 CO -0.11 0.68 0.00 -1.13 -0.67 0.00 0.00 178.83 177.60 3sqc n SER 119 N -4.43 0.36 -0.80 1.46 3.41 -0.51 -2.05 113.62 111.06 3sqc n SER 119 Ca 0.10 0.64 0.10 0.00 -0.26 0.00 0.00 58.87 59.45 3sqc n SER 119 Cb 0.06 -0.70 0.08 0.00 -0.26 0.00 0.00 64.21 63.39 3sqc n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3sqc n GLN 120 N -1.96 1.83 0.00 4.33 1.13 -0.17 -4.94 117.38 117.61 3sqc n GLN 120 Ca 0.00 -1.69 0.00 0.00 -1.94 0.00 0.00 57.00 53.37 3sqc n GLN 120 Cb 0.07 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.03 3sqc n GLN 120 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3sqc n GLY 121 N 1.16 0.68 7.00 1.08 0.00 -0.87 -4.37 105.19 109.88 3sqc n GLY 121 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3sqc n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sqc n GLY 122 N -1.50 0.38 0.41 -0.02 0.00 -1.08 -3.82 105.19 99.56 3sqc n GLY 122 Ca 0.00 -0.84 0.21 0.00 0.00 0.00 0.00 46.02 45.39 3sqc n GLY 122 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3sqc h ILE 123 N 0.00 0.63 0.00 -0.61 -0.00 -1.55 -2.12 117.51 113.85 3sqc h ILE 123 Ca 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 64.86 64.74 3sqc h ILE 123 Cb 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 36.82 37.06 3sqc h ILE 123 CO 0.00 0.06 0.00 -0.62 -0.00 0.00 0.00 178.15 177.59 3sqc n GLU 124 N -4.50 0.16 0.00 2.19 -0.58 -1.25 -2.63 120.64 114.03 3sqc n GLU 124 Ca 0.21 0.38 0.12 0.00 -0.42 0.00 0.00 57.16 57.45 3sqc n GLU 124 Cb 0.78 -1.80 0.24 0.00 -0.57 0.00 0.00 31.44 30.09 3sqc n GLU 124 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3sqc n SER 125 N -2.10 1.38 -4.84 1.62 7.64 -0.80 -4.58 113.62 111.95 3sqc n SER 125 Ca 0.03 -1.11 -0.32 0.00 1.01 0.00 0.00 58.87 58.47 3sqc n SER 125 Cb 0.23 0.27 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 3sqc n SER 125 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3sqc s SER 126 N -2.50 6.55 1.17 6.43 1.04 -1.08 -4.66 113.70 120.65 3sqc s SER 126 Ca 0.22 1.57 -0.14 0.00 0.48 0.00 0.00 55.95 58.08 3sqc s SER 126 Cb 0.19 -2.51 0.25 0.00 0.10 0.00 0.00 66.02 64.06 3sqc s SER 126 CO 0.54 -0.64 0.80 -2.11 0.98 0.00 0.00 173.24 172.82 3sqc n ARG 127 N -1.71 -2.33 0.09 4.02 1.85 -1.26 -4.79 116.66 112.53 3sqc n ARG 127 Ca 0.07 -0.65 -0.13 0.00 -1.00 0.00 0.00 57.85 56.14 3sqc n ARG 127 Cb 0.54 -2.07 -0.07 0.00 -1.05 0.00 0.00 32.46 29.81 3sqc n ARG 127 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3sqc h VAL 128 N -2.58 0.89 -0.64 8.89 2.07 -1.93 -2.92 116.25 120.02 3sqc h VAL 128 Ca -0.60 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.04 3sqc h VAL 128 Cb 1.34 0.89 -0.12 0.00 -1.52 0.00 0.00 31.29 31.87 3sqc h VAL 128 CO 0.47 0.00 -0.19 -0.26 0.02 0.00 0.00 177.57 177.61 3sqc h PHE 129 N -0.14 -0.43 -0.39 1.57 0.04 -1.92 0.22 116.94 115.90 3sqc h PHE 129 Ca -0.01 0.06 0.03 0.00 2.80 0.00 0.00 57.97 60.85 3sqc h PHE 129 Cb 0.12 0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.52 3sqc h PHE 129 CO -0.08 -0.30 0.20 1.15 -0.60 0.00 0.00 178.31 178.68 3sqc h THR 130 N -0.03 0.99 -0.21 -1.55 2.02 -1.90 0.23 112.91 112.46 3sqc h THR 130 Ca 0.30 -0.14 -0.10 0.00 0.77 0.00 0.00 66.41 67.25 3sqc h THR 130 Cb 0.49 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3sqc h THR 130 CO -0.68 0.07 -0.28 0.03 0.37 0.00 0.00 175.52 175.04 3sqc h ARG 131 N 0.41 0.42 -0.04 6.66 3.08 -1.01 -2.20 114.38 121.69 3sqc h ARG 131 Ca 0.16 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3sqc h ARG 131 Cb 0.06 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 3sqc h ARG 131 CO -0.11 0.66 -0.00 1.98 -1.07 0.00 0.00 179.97 181.43 3sqc h MET 132 N 0.36 0.07 -0.88 0.04 4.05 0.26 0.40 114.93 119.24 3sqc h MET 132 Ca 0.05 -0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.55 3sqc h MET 132 Cb 0.69 -0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 31.40 3sqc h MET 132 CO 0.05 0.37 0.51 -1.49 0.23 0.00 0.00 176.91 176.58 3sqc h TRP 133 N -0.23 0.93 -0.22 1.39 4.06 -0.48 0.24 115.95 121.64 3sqc h TRP 133 Ca 0.01 0.03 -0.13 0.00 2.06 0.00 0.00 58.89 60.86 3sqc h TRP 133 Cb 0.33 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 28.20 3sqc h TRP 133 CO 0.03 0.37 -0.41 -0.07 -3.56 0.00 0.00 178.44 174.80 3sqc h LEU 134 N 0.84 0.56 -0.51 -4.49 3.38 -1.11 -2.76 115.31 111.22 3sqc h LEU 134 Ca 0.43 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 3sqc h LEU 134 Cb 0.41 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3sqc h LEU 134 CO -0.26 0.90 0.16 0.00 0.09 0.00 0.00 178.44 179.33 3sqc h ALA 135 N 1.12 0.67 -0.85 1.53 0.00 0.15 0.12 119.26 121.99 3sqc h ALA 135 Ca 0.04 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.87 3sqc h ALA 135 Cb 0.90 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 3sqc h ALA 135 CO 0.08 0.33 0.48 -0.07 0.00 0.00 0.00 179.25 180.07 3sqc h LEU 136 N 0.70 0.67 -0.45 0.00 3.38 -0.38 0.92 115.31 120.15 3sqc h LEU 136 Ca 0.16 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3sqc h LEU 136 Cb 0.28 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3sqc h LEU 136 CO -0.01 0.35 0.00 0.55 0.09 0.00 0.00 178.44 179.43 3sqc n VAL 137 N -4.76 0.00 -1.11 1.22 3.14 -1.02 -0.32 118.33 115.49 3sqc n VAL 137 Ca 0.15 -0.12 -0.01 0.00 -2.96 0.00 0.00 64.34 61.41 3sqc n VAL 137 Cb 0.33 -0.03 -0.00 0.00 -1.06 0.00 0.00 33.84 33.07 3sqc n VAL 137 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3sqc n GLY 138 N 1.07 0.43 0.03 7.55 0.00 0.32 -3.51 105.19 111.09 3sqc n GLY 138 Ca 0.21 -1.04 0.11 0.00 0.00 0.00 0.00 46.02 45.30 3sqc n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3sqc n GLU 139 N -2.82 0.61 -4.42 1.61 -0.58 0.31 -4.91 120.64 110.44 3sqc n GLU 139 Ca -0.01 -0.12 -0.19 0.00 -0.42 0.00 0.00 57.16 56.42 3sqc n GLU 139 Cb 0.07 -1.59 -0.15 0.00 -0.57 0.00 0.00 31.44 29.20 3sqc n GLU 139 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 3sqc s TYR 140 N -3.45 0.93 0.09 -0.32 5.04 -1.20 -4.93 117.35 113.50 3sqc s TYR 140 Ca -0.05 -0.20 -0.31 0.00 -2.44 0.00 0.00 57.07 54.07 3sqc s TYR 140 Cb 0.13 -0.59 -0.08 0.00 0.35 0.00 0.00 41.96 41.77 3sqc s TYR 140 CO 0.88 -0.01 1.56 -1.25 -1.34 0.00 0.00 175.55 175.38 3sqc s PRO 141 N -0.35 4.23 0.34 4.97 0.04 -1.26 -4.01 135.00 138.96 3sqc s PRO 141 Ca 0.03 2.25 0.07 0.00 0.04 0.00 0.00 61.00 63.39 3sqc s PRO 141 Cb -0.04 -3.42 0.74 0.00 0.04 0.00 0.00 34.50 31.82 3sqc s PRO 141 CO -0.00 -0.63 1.88 -1.49 0.04 0.00 0.00 177.00 176.80 3sqc h TRP 142 N 7.61 0.88 0.00 0.56 4.06 -1.96 -2.56 115.95 124.54 3sqc h TRP 142 Ca -0.42 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.56 3sqc h TRP 142 Cb 1.20 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 29.08 3sqc h TRP 142 CO 0.72 0.36 0.00 -0.85 -3.56 0.00 0.00 178.44 175.11 3sqc n GLU 143 N -4.55 0.02 -0.02 0.49 0.00 -1.26 -1.40 120.64 113.92 3sqc n GLU 143 Ca 0.16 0.36 0.11 0.00 0.00 0.00 0.00 57.16 57.79 3sqc n GLU 143 Cb 0.39 -1.50 0.10 0.00 0.00 0.00 0.00 31.44 30.44 3sqc n GLU 143 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3sqc n LYS 144 N -1.42 2.04 -3.61 3.44 5.02 -0.96 -4.88 118.16 117.78 3sqc n LYS 144 Ca 0.01 -1.83 -0.37 0.00 -2.02 0.00 0.00 58.31 54.10 3sqc n LYS 144 Cb 0.05 -1.42 -0.10 0.00 -0.02 0.00 0.00 35.03 33.54 3sqc n LYS 144 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3sqc s VAL 145 N -1.75 5.33 -0.19 -0.18 1.01 -0.49 -5.03 120.40 119.09 3sqc s VAL 145 Ca 0.26 0.21 -0.38 0.00 0.00 0.00 0.00 61.98 62.06 3sqc s VAL 145 Cb 0.18 -3.53 -0.15 0.00 0.00 0.00 0.00 36.38 32.89 3sqc s VAL 145 CO 0.27 0.29 1.72 -2.65 0.00 0.00 0.00 175.10 174.74 3sqc n PRO 146 N 4.69 1.38 -2.49 2.72 -0.02 -1.26 -4.93 135.00 135.09 3sqc n PRO 146 Ca -0.14 0.50 -0.36 0.00 -2.02 0.00 0.00 63.50 61.49 3sqc n PRO 146 Cb 0.52 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 3sqc n PRO 146 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3sqc s MET 147 N 3.24 3.97 -0.20 -0.52 -1.94 -1.26 -4.81 119.30 117.78 3sqc s MET 147 Ca 0.95 1.51 -0.04 0.00 -1.71 0.00 0.00 55.69 56.40 3sqc s MET 147 Cb -0.97 -2.37 0.07 0.00 2.01 0.00 0.00 34.83 33.57 3sqc s MET 147 CO 0.60 -0.31 0.09 0.08 -0.01 0.00 0.00 175.02 175.47 3sqc s VAL 148 N -1.74 0.02 0.27 -6.03 1.01 -1.26 -4.90 120.40 107.77 3sqc s VAL 148 Ca 0.62 -0.36 -0.20 0.00 0.00 0.00 0.00 61.98 62.04 3sqc s VAL 148 Cb -0.21 -0.74 -0.09 0.00 0.00 0.00 0.00 36.38 35.34 3sqc s VAL 148 CO 0.26 -0.36 0.79 -2.16 0.00 0.00 0.00 175.10 173.62 3sqc s PRO 149 N 2.08 4.28 0.59 2.72 0.04 -1.26 -4.36 135.00 139.09 3sqc s PRO 149 Ca 0.03 0.95 0.33 0.00 0.04 0.00 0.00 61.00 62.35 3sqc s PRO 149 Cb -0.16 -2.75 1.86 0.00 0.04 0.00 0.00 34.50 33.49 3sqc s PRO 149 CO -0.14 0.31 2.22 -1.00 0.04 0.00 0.00 177.00 178.43 3sqc h PRO 150 N 3.09 0.00 0.00 0.56 0.13 -1.93 -1.84 132.00 132.00 3sqc h PRO 150 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3sqc h PRO 150 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3sqc h PRO 150 CO 0.65 0.03 0.00 0.93 -0.23 0.00 0.00 178.00 179.38 3sqc h GLU 151 N 0.00 0.00 -0.06 0.86 3.07 -1.91 -0.26 114.58 116.27 3sqc h GLU 151 Ca -0.00 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.88 3sqc h GLU 151 Cb 0.12 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.03 3sqc h GLU 151 CO 0.00 0.00 0.19 0.97 -1.40 0.00 0.00 179.01 178.77 3sqc h ILE 152 N 0.00 0.15 0.00 3.13 2.10 -1.74 0.74 117.51 121.89 3sqc h ILE 152 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.92 3sqc h ILE 152 Cb 0.05 0.83 -0.00 0.00 -1.09 0.00 0.00 36.82 36.60 3sqc h ILE 152 CO 0.00 0.00 -0.08 0.24 -1.08 0.00 0.00 178.15 177.23 3sqc h MET 153 N 0.00 0.00 0.00 2.19 2.86 -1.27 -2.81 114.93 115.90 3sqc h MET 153 Ca 0.03 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 3sqc h MET 153 Cb 0.41 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 3sqc h MET 153 CO -0.00 0.08 -0.27 0.74 1.06 0.00 0.00 176.91 178.52 3sqc h PHE 154 N 0.00 0.00 -2.55 -0.22 0.04 -1.07 -3.45 116.94 109.69 3sqc h PHE 154 Ca -0.00 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.23 3sqc h PHE 154 Cb 0.20 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.35 3sqc h PHE 154 CO 0.00 0.27 1.12 -0.51 -0.60 0.00 0.00 178.31 178.59 3sqc s LEU 155 N -6.61 4.36 1.10 1.54 1.43 -1.06 -4.98 118.68 114.47 3sqc s LEU 155 Ca 0.02 2.41 -0.16 0.00 -1.03 0.00 0.00 54.13 55.38 3sqc s LEU 155 Cb 0.09 -3.54 0.24 0.00 0.03 0.00 0.00 46.19 43.01 3sqc s LEU 155 CO 0.67 -0.96 1.11 -0.83 0.23 0.00 0.00 176.35 176.57 3sqc s GLY 156 N 3.54 1.58 0.26 -3.19 0.00 -1.26 -4.66 107.32 103.59 3sqc s GLY 156 Ca 0.78 -0.71 -0.03 0.00 0.00 0.00 0.00 44.72 44.77 3sqc s GLY 156 CO 0.34 0.05 1.68 0.50 0.00 0.00 0.00 173.10 175.67 3sqc h LYS 157 N -2.24 0.28 -0.01 2.90 1.57 -1.99 -2.51 116.57 114.57 3sqc h LYS 157 Ca -0.49 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3sqc h LYS 157 Cb 1.31 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3sqc h LYS 157 CO 0.45 0.18 -0.42 2.89 -0.57 0.00 0.00 179.45 181.98 3sqc n ARG 158 N -5.15 0.89 -2.41 3.15 0.00 -1.26 -4.94 116.66 106.94 3sqc n ARG 158 Ca 0.16 -0.65 -0.41 0.00 -0.00 0.00 0.00 57.85 56.96 3sqc n ARG 158 Cb 0.52 -1.49 -0.04 0.00 -0.00 0.00 0.00 32.46 31.45 3sqc n ARG 158 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 3sqc s MET 159 N -2.56 4.58 0.42 2.89 -1.94 -0.95 -4.99 119.30 116.76 3sqc s MET 159 Ca 0.20 1.87 -0.26 0.00 -1.71 0.00 0.00 55.69 55.78 3sqc s MET 159 Cb 0.18 -3.19 -0.10 0.00 2.01 0.00 0.00 34.83 33.74 3sqc s MET 159 CO 0.58 0.11 1.41 -0.35 -0.01 0.00 0.00 175.02 176.76 3sqc n PRO 160 N 1.41 2.31 -1.01 2.03 -0.04 -1.26 -2.49 135.00 135.94 3sqc n PRO 160 Ca 0.00 0.82 -0.00 0.00 -0.04 0.00 0.00 63.50 64.27 3sqc n PRO 160 Cb 0.44 -2.58 -0.00 0.00 -0.04 0.00 0.00 33.50 31.32 3sqc n PRO 160 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3sqc n LEU 161 N 0.11 0.41 -4.77 1.53 4.77 -1.26 -5.00 117.00 112.78 3sqc n LEU 161 Ca 0.04 0.01 -0.35 0.00 -0.03 0.00 0.00 56.01 55.68 3sqc n LEU 161 Cb 0.40 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 3sqc n LEU 161 CO 0.61 -0.46 0.79 0.54 -1.33 0.00 0.00 177.39 177.54 3sqc s ASN 162 N -2.03 5.80 0.61 -1.43 2.20 -1.04 -4.88 114.94 114.17 3sqc s ASN 162 Ca 0.00 2.21 0.27 0.00 -0.94 0.00 0.00 52.86 54.40 3sqc s ASN 162 Cb 0.00 -2.59 1.32 0.00 -2.00 0.00 0.00 41.25 37.98 3sqc s ASN 162 CO 0.00 -1.17 1.74 0.16 -2.94 0.00 0.00 177.10 174.89 3sqc h ILE 163 N 1.32 0.20 -0.05 0.54 3.07 -1.83 -1.47 117.51 119.29 3sqc h ILE 163 Ca -0.50 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.91 3sqc h ILE 163 Cb 1.26 0.48 0.00 0.00 -0.27 0.00 0.00 36.82 38.29 3sqc h ILE 163 CO 0.57 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 176.45 3sqc n TYR 164 N -3.38 0.07 0.90 0.16 4.01 -1.26 -2.78 117.16 114.88 3sqc n TYR 164 Ca 0.08 -0.03 0.10 0.00 -0.16 0.00 0.00 57.90 57.89 3sqc n TYR 164 Cb 0.79 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.74 3sqc n TYR 164 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3sqc n GLU 165 N -0.38 0.06 -2.91 -0.72 1.02 -0.55 -4.94 120.64 112.23 3sqc n GLU 165 Ca 0.03 -0.02 -0.25 0.00 -0.02 0.00 0.00 57.16 56.91 3sqc n GLU 165 Cb 0.05 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 3sqc n GLU 165 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3sqc s PHE 166 N -3.05 3.44 0.60 -0.32 0.40 -1.12 -4.63 117.98 113.30 3sqc s PHE 166 Ca 0.07 0.54 -0.15 0.00 -0.60 0.00 0.00 56.93 56.79 3sqc s PHE 166 Cb 0.16 -2.23 -0.03 0.00 0.51 0.00 0.00 43.02 41.43 3sqc s PHE 166 CO 0.85 -0.23 1.04 0.20 0.70 0.00 0.00 175.22 177.78 3sqc s GLY 167 N -4.13 1.99 0.14 4.36 0.00 0.62 -4.74 107.32 105.57 3sqc s GLY 167 Ca 0.46 0.26 -0.25 0.00 0.00 0.00 0.00 44.72 45.19 3sqc s GLY 167 CO 0.41 0.57 1.31 1.44 0.00 0.00 0.00 173.10 176.83 3sqc n SER 168 N -2.22 -0.87 -0.26 1.64 7.64 -1.26 -1.03 113.62 117.25 3sqc n SER 168 Ca 0.08 1.51 0.03 0.00 1.01 0.00 0.00 58.87 61.50 3sqc n SER 168 Cb 0.53 -0.21 0.17 0.00 -1.01 0.00 0.00 64.21 63.69 3sqc n SER 168 CO 0.00 0.00 0.00 4.11 -3.01 0.00 0.00 175.04 176.14 3sqc h TRP 169 N 0.00 0.67 -0.15 1.43 0.09 -1.95 -2.99 115.95 113.04 3sqc h TRP 169 Ca 0.15 0.03 -0.05 0.00 0.09 0.00 0.00 58.89 59.11 3sqc h TRP 169 Cb 0.36 -0.19 -0.00 0.00 0.08 0.00 0.00 29.16 29.41 3sqc h TRP 169 CO -0.86 0.21 -0.09 0.00 0.09 0.00 0.00 178.44 177.78 3sqc h ALA 170 N 1.48 0.22 -0.84 0.11 0.00 -1.39 -3.29 119.26 115.55 3sqc h ALA 170 Ca 0.39 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 55.10 3sqc h ALA 170 Cb 0.47 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.10 3sqc h ALA 170 CO -0.31 0.04 -0.56 -0.09 0.00 0.00 0.00 179.25 178.33 3sqc h ARG 171 N -0.01 -0.10 -0.71 0.00 2.43 -1.10 -0.16 114.38 114.73 3sqc h ARG 171 Ca 0.03 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3sqc h ARG 171 Cb 0.58 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 3sqc h ARG 171 CO 0.03 -0.07 0.25 0.00 -1.51 0.00 0.00 179.97 178.67 3sqc h ALA 172 N 0.44 1.09 -0.55 2.80 0.00 -1.69 -1.84 119.26 119.51 3sqc h ALA 172 Ca 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3sqc h ALA 172 Cb 0.48 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3sqc h ALA 172 CO -0.85 0.63 0.30 1.15 0.00 0.00 0.00 179.25 180.49 3sqc h THR 173 N 1.05 1.18 0.54 0.00 2.02 -1.40 -0.02 112.91 116.27 3sqc h THR 173 Ca 0.24 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 3sqc h THR 173 Cb 0.25 0.48 0.01 0.00 -1.74 0.00 0.00 68.15 67.15 3sqc h THR 173 CO -0.01 0.20 -0.26 0.58 0.37 0.00 0.00 175.52 176.40 3sqc h VAL 174 N 0.75 0.47 -0.05 3.16 2.07 -0.69 0.19 116.25 122.15 3sqc h VAL 174 Ca 0.20 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.70 3sqc h VAL 174 Cb 0.04 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 3sqc h VAL 174 CO -0.03 0.01 -0.25 0.58 0.02 0.00 0.00 177.57 177.90 3sqc h VAL 175 N -0.75 0.43 -0.46 2.57 2.07 -1.21 0.19 116.25 119.08 3sqc h VAL 175 Ca -0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.50 3sqc h VAL 175 Cb 0.57 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 3sqc h VAL 175 CO 0.12 0.00 0.20 0.00 0.02 0.00 0.00 177.57 177.91 3sqc h ALA 176 N 0.52 0.57 -0.17 1.67 0.00 -0.92 -2.70 119.26 118.24 3sqc h ALA 176 Ca 0.08 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3sqc h ALA 176 Cb 0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3sqc h ALA 176 CO -0.25 -0.18 -0.24 -0.07 0.00 0.00 0.00 179.25 178.51 3sqc h LEU 177 N 0.39 0.29 -1.60 0.00 3.38 0.13 -2.72 115.31 115.19 3sqc h LEU 177 Ca 0.21 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.13 3sqc h LEU 177 Cb 0.17 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3sqc h LEU 177 CO -0.19 0.54 0.32 0.77 0.09 0.00 0.00 178.44 179.98 3sqc h SER 178 N 0.27 0.45 -0.26 -0.43 4.64 -0.30 0.71 113.55 118.62 3sqc h SER 178 Ca 0.04 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.19 3sqc h SER 178 Cb 0.58 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3sqc h SER 178 CO 0.04 0.31 -0.50 0.40 -0.87 0.00 0.00 176.83 176.21 3sqc h ILE 179 N 0.52 1.29 -0.24 0.95 2.04 -1.48 -0.96 117.51 119.63 3sqc h ILE 179 Ca 0.20 -1.70 -0.05 0.00 1.00 0.00 0.00 64.86 64.31 3sqc h ILE 179 Cb 0.13 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3sqc h ILE 179 CO -0.05 0.55 -0.06 0.58 0.00 0.00 0.00 178.15 179.17 3sqc h VAL 180 N 0.55 1.28 -0.27 1.67 2.07 -1.09 -2.96 116.25 117.49 3sqc h VAL 180 Ca 0.01 -1.07 -0.07 0.00 0.82 0.00 0.00 66.70 66.39 3sqc h VAL 180 Cb 1.11 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 3sqc h VAL 180 CO 0.11 0.33 -0.15 -0.03 0.02 0.00 0.00 177.57 177.86 3sqc h MET 181 N 0.21 0.47 -0.23 1.57 4.05 0.34 -0.33 114.93 121.01 3sqc h MET 181 Ca 0.06 -0.14 -0.02 0.00 -0.28 0.00 0.00 59.70 59.32 3sqc h MET 181 Cb 0.53 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 3sqc h MET 181 CO 0.02 0.61 0.06 1.03 0.23 0.00 0.00 176.91 178.86 3sqc h SER 182 N 0.43 0.29 0.00 1.39 0.87 -1.04 -3.08 113.55 112.40 3sqc h SER 182 Ca 0.08 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3sqc h SER 182 Cb 0.51 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 3sqc h SER 182 CO 0.03 0.30 -1.30 0.54 -0.53 0.00 0.00 176.83 175.86 3sqc n ARG 183 N -4.41 0.67 -3.78 2.24 5.12 -0.94 -5.02 116.66 110.55 3sqc n ARG 183 Ca 0.00 -0.07 -0.27 0.00 -1.93 0.00 0.00 57.85 55.58 3sqc n ARG 183 Cb 0.15 -1.42 0.01 0.00 -1.16 0.00 0.00 32.46 30.03 3sqc n ARG 183 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3sqc n GLN 184 N -1.75 -0.66 -2.08 5.56 6.02 -0.18 -4.90 117.38 119.40 3sqc n GLN 184 Ca 0.01 0.08 -0.31 0.00 -0.01 0.00 0.00 57.00 56.76 3sqc n GLN 184 Cb 0.38 -1.39 -0.01 0.00 1.02 0.00 0.00 30.24 30.24 3sqc n GLN 184 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3sqc s PRO 185 N -5.81 3.74 -0.05 -1.09 0.04 -1.26 -5.09 135.00 125.48 3sqc s PRO 185 Ca 0.22 0.83 0.01 0.00 0.04 0.00 0.00 61.00 62.10 3sqc s PRO 185 Cb -0.13 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.33 3sqc s PRO 185 CO 0.65 -0.45 -0.05 0.08 0.04 0.00 0.00 177.00 177.26 3sqc s VAL 186 N -2.96 0.61 -0.51 -0.36 1.01 -1.26 -4.58 120.40 112.34 3sqc s VAL 186 Ca 0.57 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.41 3sqc s VAL 186 Cb -0.11 -0.63 0.13 0.00 0.00 0.00 0.00 36.38 35.78 3sqc s VAL 186 CO 0.45 0.25 0.27 -0.36 0.00 0.00 0.00 175.10 175.70 3sqc s PHE 187 N 0.97 3.32 0.36 5.22 0.08 0.57 -4.96 117.98 123.53 3sqc s PHE 187 Ca -0.10 -3.04 -0.26 0.00 0.12 0.00 0.00 56.93 53.65 3sqc s PHE 187 Cb -0.14 -2.92 -0.12 0.00 -0.57 0.00 0.00 43.02 39.26 3sqc s PHE 187 CO -0.00 -0.80 1.12 -2.30 -0.10 0.00 0.00 175.22 173.14 3sqc n PRO 188 N 3.38 1.63 -3.22 0.24 -0.02 -1.25 -4.24 135.00 131.52 3sqc n PRO 188 Ca 0.05 0.58 -0.29 0.00 -2.02 0.00 0.00 63.50 61.82 3sqc n PRO 188 Cb 0.35 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 3sqc n PRO 188 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3sqc s LEU 189 N -0.53 4.00 0.48 2.45 1.43 -1.23 -5.03 118.68 120.26 3sqc s LEU 189 Ca 0.59 0.82 -0.23 0.00 -1.03 0.00 0.00 54.13 54.28 3sqc s LEU 189 Cb -0.59 -3.65 -0.07 0.00 0.03 0.00 0.00 46.19 41.91 3sqc s LEU 189 CO 0.59 -0.24 1.27 -2.16 0.23 0.00 0.00 176.35 176.03 3sqc s PRO 190 N -3.62 3.56 0.46 1.29 0.04 -1.26 -4.85 135.00 130.61 3sqc s PRO 190 Ca 0.46 2.02 0.30 0.00 0.04 0.00 0.00 61.00 63.82 3sqc s PRO 190 Cb -0.11 -2.41 1.39 0.00 0.04 0.00 0.00 34.50 33.42 3sqc s PRO 190 CO 0.30 -0.79 1.68 0.93 0.04 0.00 0.00 177.00 179.17 3sqc h GLU 191 N 1.94 0.14 -0.40 4.56 5.08 -2.00 -0.07 114.58 123.83 3sqc h GLU 191 Ca -0.50 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 57.81 3sqc h GLU 191 Cb 1.27 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 3sqc h GLU 191 CO 0.59 0.09 0.08 -0.09 -1.00 0.00 0.00 179.01 178.69 3sqc h ARG 192 N 0.14 0.60 -0.45 2.33 2.43 -1.99 -3.14 114.38 114.31 3sqc h ARG 192 Ca 0.74 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.80 3sqc h ARG 192 Cb 2.38 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.83 3sqc h ARG 192 CO -0.28 0.56 0.00 0.00 -1.51 0.00 0.00 179.97 178.74 3sqc n ALA 193 N -2.47 2.43 -1.75 2.80 0.00 -0.04 -4.99 120.51 116.49 3sqc n ALA 193 Ca 0.02 -0.93 -0.38 0.00 0.00 0.00 0.00 53.44 52.15 3sqc n ALA 193 Cb 0.21 -0.95 0.03 0.00 0.00 0.00 0.00 19.45 18.74 3sqc n ALA 193 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3sqc s ARG 194 N -1.41 3.28 -0.51 0.00 1.81 -1.19 -4.68 118.95 116.25 3sqc s ARG 194 Ca 0.38 2.17 0.06 0.00 -1.72 0.00 0.00 55.73 56.62 3sqc s ARG 194 Cb 0.21 -2.31 0.37 0.00 -0.45 0.00 0.00 34.95 32.77 3sqc s ARG 194 CO 0.28 -1.06 0.98 1.33 -0.68 0.00 0.00 175.30 176.15 3sqc n VAL 195 N -0.88 2.50 0.29 3.52 0.24 -1.26 -4.85 118.33 117.88 3sqc n VAL 195 Ca 0.09 -5.19 0.16 0.00 -2.04 0.00 0.00 64.34 57.37 3sqc n VAL 195 Cb 0.45 -1.17 0.85 0.00 -1.47 0.00 0.00 33.84 32.50 3sqc n VAL 195 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3sqc h PRO 196 N 2.86 0.00 0.00 7.34 0.13 -1.95 -2.74 132.00 137.64 3sqc h PRO 196 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3sqc h PRO 196 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3sqc h PRO 196 CO 0.79 0.06 0.02 -0.85 -0.23 0.00 0.00 178.00 177.79 3sqc n GLU 197 N -3.42 0.11 0.23 0.86 0.00 -1.26 -1.73 120.64 115.43 3sqc n GLU 197 Ca -0.02 0.61 0.14 0.00 0.00 0.00 0.00 57.16 57.89 3sqc n GLU 197 Cb 0.20 -1.89 0.38 0.00 0.00 0.00 0.00 31.44 30.13 3sqc n GLU 197 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3sqc h LEU 198 N 0.00 0.00 0.03 -1.84 3.38 -1.91 -3.04 115.31 111.92 3sqc h LEU 198 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3sqc h LEU 198 Cb 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3sqc h LEU 198 CO 0.00 0.00 -1.61 1.88 0.09 0.00 0.00 178.44 178.80 3sqc h TYR 199 N 0.00 0.10 -0.28 1.13 0.05 -1.58 -1.26 116.97 115.13 3sqc h TYR 199 Ca 0.00 -0.07 -0.04 0.00 0.05 0.00 0.00 58.73 58.67 3sqc h TYR 199 Cb 0.78 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.51 3sqc h TYR 199 CO 0.00 1.12 0.12 -1.21 -1.05 0.00 0.00 178.16 177.14 3sqc s GLU 200 N -2.61 1.51 -0.23 4.88 2.02 -1.15 -4.82 118.70 118.29 3sqc s GLU 200 Ca -0.06 0.01 -0.19 0.00 0.02 0.00 0.00 54.97 54.75 3sqc s GLU 200 Cb 0.08 -4.90 0.06 0.00 0.10 0.00 0.00 34.13 29.48 3sqc s GLU 200 CO 0.82 -4.81 0.61 0.99 0.02 0.00 0.00 175.26 172.89 3sqc s THR 201 N 15.33 -0.00 -0.11 3.63 2.01 -1.26 -4.86 115.64 130.37 3sqc s THR 201 Ca 0.86 0.01 0.16 0.00 0.31 0.00 0.00 61.69 63.03 3sqc s THR 201 Cb -0.09 -0.86 -0.14 0.00 0.01 0.00 0.00 72.50 71.42 3sqc s THR 201 CO 0.12 0.00 0.82 -2.24 -0.69 0.00 0.00 174.62 172.63 3sqc h ASP 202 N 5.76 0.00 -3.30 3.53 2.03 -1.87 -3.47 116.42 119.09 3sqc h ASP 202 Ca -0.30 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.46 3sqc h ASP 202 Cb 1.18 0.00 0.09 0.00 -0.83 0.00 0.00 39.33 39.77 3sqc h ASP 202 CO 0.15 0.63 0.83 0.52 -1.03 0.00 0.00 179.24 180.34 3sqc n VAL 203 N -2.92 1.17 -2.15 4.15 0.31 -1.26 -4.93 118.33 112.69 3sqc n VAL 203 Ca -0.10 -0.29 -0.42 0.00 -0.01 0.00 0.00 64.34 63.52 3sqc n VAL 203 Cb 0.86 -1.91 -0.03 0.00 -0.91 0.00 0.00 33.84 31.86 3sqc n VAL 203 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3sqc s PRO 204 N -0.74 4.32 0.00 5.55 0.04 -1.26 -4.48 135.00 138.43 3sqc s PRO 204 Ca 0.63 2.11 -0.30 0.00 0.04 0.00 0.00 61.00 63.48 3sqc s PRO 204 Cb -0.51 -3.23 -0.07 0.00 0.04 0.00 0.00 34.50 30.74 3sqc s PRO 204 CO 0.51 -0.43 1.68 -1.25 0.04 0.00 0.00 177.00 177.56 3sqc s PRO 205 N 0.87 4.19 -0.93 0.56 0.04 -1.26 -4.60 135.00 133.86 3sqc s PRO 205 Ca 0.64 2.28 -0.16 0.00 0.04 0.00 0.00 61.00 63.80 3sqc s PRO 205 Cb -0.38 -3.86 0.17 0.00 0.04 0.00 0.00 34.50 30.47 3sqc s PRO 205 CO 0.32 -0.81 1.04 -0.98 0.04 0.00 0.00 177.00 176.61 3sqc s ARG 206 N 3.55 3.68 0.17 4.56 1.70 -1.26 -4.94 118.95 126.41 3sqc s ARG 206 Ca 0.75 -2.14 -0.30 0.00 -0.47 0.00 0.00 55.73 53.56 3sqc s ARG 206 Cb -0.37 -4.76 -0.08 0.00 -0.57 0.00 0.00 34.95 29.18 3sqc s ARG 206 CO 0.32 -1.59 1.26 0.50 -1.08 0.00 0.00 175.30 174.71 3sqc s ARG 207 N 1.56 4.43 -0.14 3.89 3.52 -1.26 -4.68 118.95 126.26 3sqc s ARG 207 Ca 0.29 1.95 -0.12 0.00 -0.13 0.00 0.00 55.73 57.72 3sqc s ARG 207 Cb -0.07 -3.24 -0.05 0.00 -1.56 0.00 0.00 34.95 30.04 3sqc s ARG 207 CO -0.08 -0.21 0.23 0.50 -0.81 0.00 0.00 175.30 174.94 3sqc s ARG 208 N 0.10 4.04 0.52 5.12 3.52 -1.26 -5.09 118.95 125.89 3sqc s ARG 208 Ca 0.56 0.01 0.04 0.00 -0.13 0.00 0.00 55.73 56.21 3sqc s ARG 208 Cb -0.34 -3.36 0.09 0.00 -1.56 0.00 0.00 34.95 29.79 3sqc s ARG 208 CO 0.36 0.41 0.71 0.41 -0.81 0.00 0.00 175.30 176.38 3sqc n GLY 209 N 2.97 1.42 3.59 8.12 0.00 -1.26 -4.98 105.19 115.05 3sqc n GLY 209 Ca -0.15 -2.13 -0.37 0.00 0.00 0.00 0.00 46.02 43.37 3sqc n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3sqc n ALA 210 N -2.66 -0.11 0.31 4.61 0.00 -1.26 -4.65 120.51 116.75 3sqc n ALA 210 Ca -0.12 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.42 3sqc n ALA 210 Cb 0.48 -2.06 0.72 0.00 0.00 0.00 0.00 19.45 18.58 3sqc n ALA 210 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3sqc h LYS 211 N 0.29 0.00 -0.01 0.00 1.79 -1.42 -2.08 116.57 115.14 3sqc h LYS 211 Ca -0.48 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 57.91 3sqc h LYS 211 Cb 1.37 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.84 3sqc h LYS 211 CO 0.49 0.00 -0.74 0.41 -1.08 0.00 0.00 179.45 178.53 3sqc n GLY 212 N -1.24 3.36 0.00 3.86 0.00 -0.67 -5.05 105.19 105.45 3sqc n GLY 212 Ca -0.02 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3sqc n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sqc n GLY 213 N -0.42 -2.05 3.75 -0.02 0.00 -0.78 -4.84 105.19 100.83 3sqc n GLY 213 Ca 0.14 -1.18 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 3sqc n GLY 213 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3sqc s GLY 214 N -1.32 2.57 0.05 -0.02 0.00 -1.26 -4.63 107.32 102.72 3sqc s GLY 214 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 44.72 44.62 3sqc s GLY 214 CO 0.00 0.80 0.37 -0.32 0.00 0.00 0.00 173.10 173.95 3sqc s GLY 215 N 0.06 2.34 0.54 0.20 0.00 -1.26 -4.98 107.32 104.22 3sqc s GLY 215 Ca 0.31 -0.39 0.35 0.00 0.00 0.00 0.00 44.72 44.98 3sqc s GLY 215 CO 0.16 -0.16 2.03 0.11 0.00 0.00 0.00 173.10 175.24 3sqc h TRP 216 N 3.93 0.00 0.38 1.90 5.08 -1.97 -3.10 115.95 122.17 3sqc h TRP 216 Ca -0.50 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.45 3sqc h TRP 216 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 3sqc h TRP 216 CO 0.68 0.00 -0.18 0.82 -1.28 0.00 0.00 178.44 178.47 3sqc h ILE 217 N 0.00 0.62 -0.67 0.12 2.04 -1.99 -0.49 117.51 117.14 3sqc h ILE 217 Ca 0.00 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 3sqc h ILE 217 Cb 0.39 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3sqc h ILE 217 CO 0.00 0.06 0.28 -0.26 0.00 0.00 0.00 178.15 178.23 3sqc h PHE 218 N -0.70 0.98 -0.88 1.37 0.04 -1.92 0.39 116.94 116.22 3sqc h PHE 218 Ca -0.05 -0.06 0.05 0.00 2.80 0.00 0.00 57.97 60.71 3sqc h PHE 218 Cb 0.49 -0.30 -0.06 0.00 2.20 0.00 0.00 35.95 38.29 3sqc h PHE 218 CO -0.01 0.74 0.56 0.22 -0.60 0.00 0.00 178.31 179.23 3sqc h ASP 219 N 0.96 0.92 0.04 2.17 3.58 -1.45 0.66 116.42 123.29 3sqc h ASP 219 Ca 0.23 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.68 3sqc h ASP 219 Cb 0.17 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.02 3sqc h ASP 219 CO -0.02 0.61 -0.02 0.00 -2.88 0.00 0.00 179.24 176.93 3sqc h ALA 220 N 1.39 -0.06 -0.71 -0.78 0.00 0.13 -2.96 119.26 116.26 3sqc h ALA 220 Ca 0.37 -0.28 0.15 0.00 0.00 0.00 0.00 54.91 55.15 3sqc h ALA 220 Cb 0.08 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.78 3sqc h ALA 220 CO -0.14 -0.24 0.15 1.25 0.00 0.00 0.00 179.25 180.27 3sqc h LEU 221 N -0.64 -0.03 -0.12 0.00 5.85 0.15 -0.39 115.31 120.12 3sqc h LEU 221 Ca -0.01 0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.89 3sqc h LEU 221 Cb 0.57 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 3sqc h LEU 221 CO 0.01 -0.05 -0.06 -0.78 -0.34 0.00 0.00 178.44 177.22 3sqc h ASP 222 N 0.25 -0.21 -0.18 1.25 3.58 0.30 0.12 116.42 121.53 3sqc h ASP 222 Ca 0.40 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.89 3sqc h ASP 222 Cb 0.67 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 3sqc h ASP 222 CO -0.51 -0.09 0.09 0.03 -2.88 0.00 0.00 179.24 175.88 3sqc h ARG 223 N -0.06 0.31 0.03 0.28 3.08 -1.03 0.03 114.38 117.02 3sqc h ARG 223 Ca 0.07 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3sqc h ARG 223 Cb 0.16 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3sqc h ARG 223 CO -0.16 0.27 -0.01 0.00 -1.07 0.00 0.00 179.97 179.00 3sqc h ALA 224 N 1.78 -0.04 -0.91 0.04 0.00 -0.29 -1.84 119.26 118.02 3sqc h ALA 224 Ca 0.08 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.97 3sqc h ALA 224 Cb 0.07 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 3sqc h ALA 224 CO -0.01 -0.39 0.53 -0.07 0.00 0.00 0.00 179.25 179.32 3sqc h LEU 225 N -0.30 0.75 -0.92 0.00 3.38 0.77 0.47 115.31 119.47 3sqc h LEU 225 Ca -0.00 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 3sqc h LEU 225 Cb 0.28 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3sqc h LEU 225 CO 0.01 0.39 -0.53 0.45 0.09 0.00 0.00 178.44 178.84 3sqc h HIS 226 N 0.84 0.00 0.01 1.13 3.86 -1.02 -0.29 115.15 119.67 3sqc h HIS 226 Ca 0.46 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.67 3sqc h HIS 226 Cb 0.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 3sqc h HIS 226 CO -0.04 0.53 -0.00 0.78 0.86 0.00 0.00 177.93 180.06 3sqc h GLY 227 N 1.64 -0.01 1.37 2.45 0.00 0.03 -3.03 103.07 105.53 3sqc h GLY 227 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.40 3sqc h GLY 227 CO 0.07 -0.00 0.25 -1.82 0.00 0.00 0.00 176.54 175.04 3sqc h TYR 228 N -0.57 0.14 0.00 5.60 3.20 -0.07 0.93 116.97 126.20 3sqc h TYR 228 Ca -0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3sqc h TYR 228 Cb 0.56 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 3sqc h TYR 228 CO 0.12 0.07 -0.04 1.96 -1.64 0.00 0.00 178.16 178.63 3sqc h GLN 229 N 0.14 0.00 -0.02 1.82 1.08 -0.92 -2.69 115.11 114.52 3sqc h GLN 229 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 3sqc h GLN 229 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 3sqc h GLN 229 CO -0.02 0.04 -0.22 1.63 -0.95 0.00 0.00 178.83 179.31 3sqc n LYS 230 N -3.39 1.57 -2.10 1.46 5.02 0.32 -4.95 118.16 116.09 3sqc n LYS 230 Ca -0.02 -1.20 -0.34 0.00 -2.02 0.00 0.00 58.31 54.73 3sqc n LYS 230 Cb 0.17 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.72 3sqc n LYS 230 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3sqc s LEU 231 N -2.26 3.60 0.35 -0.35 1.43 -1.02 -4.95 118.68 115.48 3sqc s LEU 231 Ca 0.25 2.03 0.16 0.00 -1.03 0.00 0.00 54.13 55.55 3sqc s LEU 231 Cb 0.19 -4.56 0.60 0.00 0.03 0.00 0.00 46.19 42.45 3sqc s LEU 231 CO 0.44 -1.29 1.71 -1.28 0.23 0.00 0.00 176.35 176.16 3sqc h SER 232 N 0.74 0.00 -4.12 2.29 0.87 -1.92 -3.44 113.55 107.96 3sqc h SER 232 Ca -0.48 0.00 -0.44 0.00 -1.23 0.00 0.00 61.79 59.63 3sqc h SER 232 Cb 1.25 0.00 -0.29 0.00 -0.44 0.00 0.00 62.40 62.92 3sqc h SER 232 CO 0.56 0.45 -0.80 0.68 -0.53 0.00 0.00 176.83 177.19 3sqc s VAL 233 N -3.68 0.93 -0.29 2.23 -7.23 -1.26 -5.12 120.40 105.98 3sqc s VAL 233 Ca -0.01 -0.50 -0.01 0.00 -1.81 0.00 0.00 61.98 59.65 3sqc s VAL 233 Cb 0.12 -0.78 0.09 0.00 0.56 0.00 0.00 36.38 36.38 3sqc s VAL 233 CO 0.71 0.26 0.08 -1.00 -0.31 0.00 0.00 175.10 174.85 3sqc s HIS 234 N -0.27 1.66 0.26 2.82 0.09 -1.26 -5.11 115.29 113.47 3sqc s HIS 234 Ca 0.04 -1.63 -0.31 0.00 -0.00 0.00 0.00 55.06 53.17 3sqc s HIS 234 Cb -0.05 -1.62 -0.11 0.00 -0.00 0.00 0.00 32.58 30.80 3sqc s HIS 234 CO -0.00 -0.84 1.59 -1.25 -0.00 0.00 0.00 174.74 174.24 3sqc s PRO 235 N 1.64 4.16 -0.13 8.40 0.04 -1.26 -2.68 135.00 145.16 3sqc s PRO 235 Ca 0.08 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.63 3sqc s PRO 235 Cb -0.17 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.31 3sqc s PRO 235 CO -0.22 -0.62 0.00 1.19 0.04 0.00 0.00 177.00 177.39 3sqc n PHE 236 N 2.74 0.00 0.28 0.56 3.72 -1.26 -4.91 117.46 118.59 3sqc n PHE 236 Ca 0.10 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.36 3sqc n PHE 236 Cb 0.38 -1.23 -0.08 0.00 -0.94 0.00 0.00 39.48 37.61 3sqc n PHE 236 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3sqc h ARG 237 N 0.39 -0.72 -0.53 -1.08 9.65 -1.95 -2.08 114.38 118.06 3sqc h ARG 237 Ca -0.02 0.05 0.15 0.00 -1.10 0.00 0.00 59.98 59.06 3sqc h ARG 237 Cb 0.58 0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.31 3sqc h ARG 237 CO 0.04 -0.41 0.39 -0.09 2.80 0.00 0.00 179.97 182.70 3sqc h ARG 238 N -1.03 0.00 -0.04 0.20 2.43 -1.91 0.25 114.38 114.28 3sqc h ARG 238 Ca -0.08 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.92 3sqc h ARG 238 Cb 0.64 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3sqc h ARG 238 CO 0.12 0.00 -0.75 0.00 -1.51 0.00 0.00 179.97 177.83 3sqc h ALA 239 N 1.72 0.66 -0.19 2.80 0.00 -1.95 -2.62 119.26 119.68 3sqc h ALA 239 Ca 0.25 -0.64 -0.21 0.00 0.00 0.00 0.00 54.91 54.31 3sqc h ALA 239 Cb 1.03 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.75 3sqc h ALA 239 CO -0.00 0.82 -0.71 0.00 0.00 0.00 0.00 179.25 179.36 3sqc h ALA 240 N 1.05 0.38 -0.31 0.00 0.00 0.14 -2.88 119.26 117.64 3sqc h ALA 240 Ca -0.03 -0.58 0.03 0.00 0.00 0.00 0.00 54.91 54.34 3sqc h ALA 240 Cb 1.32 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3sqc h ALA 240 CO 0.12 0.69 0.12 0.93 0.00 0.00 0.00 179.25 181.11 3sqc h GLU 241 N 0.56 0.26 -0.77 0.00 5.08 -1.04 -2.18 114.58 116.49 3sqc h GLU 241 Ca -0.03 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3sqc h GLU 241 Cb 1.33 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 3sqc h GLU 241 CO 0.15 0.17 0.47 0.82 -1.00 0.00 0.00 179.01 179.62 3sqc h ILE 242 N 0.27 1.22 -0.68 3.13 2.04 -1.49 0.13 117.51 122.13 3sqc h ILE 242 Ca 0.14 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3sqc h ILE 242 Cb 0.09 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 3sqc h ILE 242 CO -0.12 0.23 0.44 0.03 0.00 0.00 0.00 178.15 178.72 3sqc h ARG 243 N 1.06 0.90 -0.10 2.37 2.47 -1.23 0.17 114.38 120.02 3sqc h ARG 243 Ca 0.28 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.93 3sqc h ARG 243 Cb -0.04 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 28.07 3sqc h ARG 243 CO -0.05 0.61 0.02 0.00 0.56 0.00 0.00 179.97 181.10 3sqc h ALA 244 N 1.24 0.13 -0.08 0.04 0.00 -0.72 -0.13 119.26 119.73 3sqc h ALA 244 Ca 0.25 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3sqc h ALA 244 Cb -0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3sqc h ALA 244 CO -0.05 -0.22 -0.10 1.25 0.00 0.00 0.00 179.25 180.14 3sqc h LEU 245 N -0.06 -0.30 -0.52 0.00 5.85 -0.45 -1.99 115.31 117.84 3sqc h LEU 245 Ca 0.03 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3sqc h LEU 245 Cb 0.28 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3sqc h LEU 245 CO 0.00 -0.13 0.31 0.44 -0.34 0.00 0.00 178.44 178.72 3sqc h ASP 246 N -0.13 0.51 -0.95 1.25 3.32 -0.61 0.41 116.42 120.22 3sqc h ASP 246 Ca 0.07 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.28 3sqc h ASP 246 Cb 0.22 -0.11 -0.10 0.00 0.22 0.00 0.00 39.33 39.57 3sqc h ASP 246 CO -0.16 0.36 0.56 -0.25 -1.72 0.00 0.00 179.24 178.03 3sqc h TRP 247 N 0.62 0.99 0.18 4.55 7.01 -0.73 -0.60 115.95 127.98 3sqc h TRP 247 Ca 0.21 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.23 3sqc h TRP 247 Cb 0.01 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 26.78 3sqc h TRP 247 CO -0.06 0.27 -0.09 -0.07 -2.79 0.00 0.00 178.44 175.70 3sqc h LEU 248 N 0.77 -0.21 -1.52 0.65 3.38 -0.53 -2.99 115.31 114.87 3sqc h LEU 248 Ca 0.52 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 58.27 3sqc h LEU 248 Cb 0.72 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 3sqc h LEU 248 CO -0.35 0.20 0.40 -0.07 0.09 0.00 0.00 178.44 178.71 3sqc h LEU 249 N -0.66 0.52 -0.85 1.67 3.38 -0.42 -1.85 115.31 117.08 3sqc h LEU 249 Ca -0.03 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 3sqc h LEU 249 Cb 0.48 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3sqc h LEU 249 CO 0.04 0.34 -0.50 -0.33 0.09 0.00 0.00 178.44 178.08 3sqc h GLU 250 N 0.59 0.17 -0.35 1.13 5.08 -1.13 -3.28 114.58 116.80 3sqc h GLU 250 Ca 0.26 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3sqc h GLU 250 Cb 0.26 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3sqc h GLU 250 CO -0.08 0.64 0.00 0.54 -1.00 0.00 0.00 179.01 179.11 3sqc n ARG 251 N -3.95 2.48 -1.69 2.33 1.74 -0.74 -5.00 116.66 111.84 3sqc n ARG 251 Ca -0.02 -2.25 -0.44 0.00 -0.77 0.00 0.00 57.85 54.37 3sqc n ARG 251 Cb 0.54 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 3sqc n ARG 251 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3sqc n GLN 252 N 1.48 2.24 -1.47 5.56 7.27 -0.97 -4.72 117.38 126.76 3sqc n GLN 252 Ca 0.19 0.80 -0.31 0.00 0.07 0.00 0.00 57.00 57.75 3sqc n GLN 252 Cb 0.61 -2.51 0.07 0.00 2.41 0.00 0.00 30.24 30.81 3sqc n GLN 252 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3sqc s ALA 253 N 0.20 2.52 0.30 1.69 0.00 -0.05 -4.94 121.76 121.49 3sqc s ALA 253 Ca 0.70 0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.81 3sqc s ALA 253 Cb -0.62 -3.20 0.61 0.00 0.00 0.00 0.00 23.12 19.92 3sqc s ALA 253 CO 0.46 -1.42 1.86 0.78 0.00 0.00 0.00 175.76 177.44 3sqc h GLY 254 N -0.87 1.49 1.66 0.00 0.00 -1.83 -0.85 103.07 102.66 3sqc h GLY 254 Ca -0.44 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.50 3sqc h GLY 254 CO 0.55 0.17 0.00 2.09 0.00 0.00 0.00 176.54 179.35 3sqc n ASP 255 N -4.58 0.00 0.00 0.19 5.68 -1.26 -4.86 116.55 111.73 3sqc n ASP 255 Ca 0.18 0.09 0.00 0.00 -0.50 0.00 0.00 54.79 54.56 3sqc n ASP 255 Cb 0.35 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 3sqc n ASP 255 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3sqc n GLY 256 N 0.48 0.44 0.00 6.12 0.00 -0.32 -4.23 105.19 107.67 3sqc n GLY 256 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3sqc n GLY 256 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3sqc n SER 257 N 0.00 0.00 -3.48 1.61 3.41 -1.26 -3.85 113.62 110.05 3sqc n SER 257 Ca 0.00 -0.43 -0.25 0.00 -0.26 0.00 0.00 58.87 57.94 3sqc n SER 257 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 3sqc n SER 257 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3sqc s TRP 258 N 0.30 0.08 0.00 7.33 0.51 -1.26 -0.87 118.94 125.03 3sqc s TRP 258 Ca 0.00 -0.72 0.00 0.00 -2.12 0.00 0.00 56.10 53.26 3sqc s TRP 258 Cb 0.00 -0.74 0.00 0.00 -0.81 0.00 0.00 33.47 31.92 3sqc s TRP 258 CO 0.00 -0.87 0.00 0.41 -0.51 0.00 0.00 176.95 175.98 3sqc n GLY 259 N 5.12 1.87 2.18 0.98 0.00 -1.26 -3.65 105.19 110.43 3sqc n GLY 259 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 3sqc n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sqc n GLY 260 N -2.00 0.62 3.24 -0.02 0.00 -1.26 -5.01 105.19 100.76 3sqc n GLY 260 Ca 0.00 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 3sqc n GLY 260 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3sqc s ILE 261 N -2.29 1.21 0.11 -0.61 -4.36 -1.24 -4.31 121.20 109.72 3sqc s ILE 261 Ca 0.00 -1.94 -0.11 0.00 -0.26 0.00 0.00 60.65 58.34 3sqc s ILE 261 Cb 0.00 -1.73 -0.16 0.00 1.25 0.00 0.00 42.46 41.82 3sqc s ILE 261 CO 0.00 -0.64 1.31 0.06 0.24 0.00 0.00 174.94 175.91 3sqc h GLN 262 N 3.02 0.73 0.09 0.37 -0.00 -1.71 -3.30 115.11 114.30 3sqc h GLN 262 Ca -0.37 -0.62 0.00 0.00 -0.00 0.00 0.00 58.65 57.66 3sqc h GLN 262 Cb 1.19 0.13 -0.01 0.00 -0.00 0.00 0.00 27.48 28.80 3sqc h GLN 262 CO 0.59 1.22 -0.16 -1.35 -0.00 0.00 0.00 178.83 179.13 3sqc h PRO 263 N 0.49 -0.26 -0.21 0.06 0.11 -1.93 0.21 132.00 130.47 3sqc h PRO 263 Ca -0.06 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 3sqc h PRO 263 Cb 1.43 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.59 3sqc h PRO 263 CO 0.16 -0.17 0.12 -1.00 -0.21 0.00 0.00 178.00 176.90 3sqc h PRO 264 N -0.27 0.28 -0.39 1.05 0.13 -1.84 -1.05 132.00 129.91 3sqc h PRO 264 Ca -0.01 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 3sqc h PRO 264 Cb 0.25 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.30 3sqc h PRO 264 CO -0.06 0.20 0.20 2.35 -0.23 0.00 0.00 178.00 180.46 3sqc h TRP 265 N 0.29 0.55 -0.20 1.56 2.91 -1.57 0.31 115.95 119.79 3sqc h TRP 265 Ca 0.08 -0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.02 3sqc h TRP 265 Cb 0.00 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 28.47 3sqc h TRP 265 CO 0.00 0.44 -0.10 0.74 -1.03 0.00 0.00 178.44 178.49 3sqc h PHE 266 N 0.50 0.50 -0.28 2.65 -1.00 -0.01 -2.45 116.94 116.85 3sqc h PHE 266 Ca 0.14 -0.13 -0.10 0.00 2.81 0.00 0.00 57.97 60.69 3sqc h PHE 266 Cb 0.09 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.52 3sqc h PHE 266 CO -0.02 0.73 -0.27 1.88 -1.61 0.00 0.00 178.31 179.02 3sqc h TYR 267 N 0.13 0.62 -0.13 -0.55 0.05 -1.16 -1.61 116.97 114.32 3sqc h TYR 267 Ca 0.04 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.69 3sqc h TYR 267 Cb 0.60 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.18 3sqc h TYR 267 CO 0.06 0.76 0.08 0.00 -1.05 0.00 0.00 178.16 178.01 3sqc h ALA 268 N 1.24 0.16 -0.90 3.88 0.00 -0.35 0.19 119.26 123.49 3sqc h ALA 268 Ca 0.07 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3sqc h ALA 268 Cb 0.71 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 3sqc h ALA 268 CO 0.05 -0.34 0.57 -0.07 0.00 0.00 0.00 179.25 179.46 3sqc h LEU 269 N 0.15 0.90 -0.29 0.00 3.38 -1.11 0.13 115.31 118.48 3sqc h LEU 269 Ca 0.05 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3sqc h LEU 269 Cb 0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3sqc h LEU 269 CO -0.01 0.59 -0.12 0.40 0.09 0.00 0.00 178.44 179.39 3sqc h ILE 270 N 1.04 1.29 -0.45 1.22 2.04 -0.83 -1.99 117.51 119.84 3sqc h ILE 270 Ca 0.38 -1.19 0.04 0.00 1.00 0.00 0.00 64.86 65.09 3sqc h ILE 270 Cb 0.14 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 3sqc h ILE 270 CO -0.16 0.38 0.20 0.00 0.00 0.00 0.00 178.15 178.57 3sqc h ALA 271 N 0.76 0.55 -0.65 1.87 0.00 0.17 -1.20 119.26 120.76 3sqc h ALA 271 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3sqc h ALA 271 Cb 0.63 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3sqc h ALA 271 CO 0.04 -0.17 0.41 -0.07 0.00 0.00 0.00 179.25 179.46 3sqc h LEU 272 N 0.40 0.77 -0.63 0.00 3.38 -0.86 -1.73 115.31 116.64 3sqc h LEU 272 Ca 0.20 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 3sqc h LEU 272 Cb 0.14 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3sqc h LEU 272 CO -0.16 0.57 0.01 0.50 0.09 0.00 0.00 178.44 179.45 3sqc h LYS 273 N 0.89 1.09 -0.26 1.13 1.63 -0.56 -2.04 116.57 118.46 3sqc h LYS 273 Ca 0.24 -0.34 -0.06 0.00 -0.85 0.00 0.00 60.65 59.64 3sqc h LYS 273 Cb -0.06 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.45 3sqc h LYS 273 CO -0.05 1.05 -0.10 0.82 -3.45 0.00 0.00 179.45 177.72 3sqc h ILE 274 N 0.99 1.21 -0.17 2.00 2.04 -0.42 -2.37 117.51 120.78 3sqc h ILE 274 Ca 0.18 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3sqc h ILE 274 Cb 0.55 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 3sqc h ILE 274 CO 0.03 0.29 0.00 0.18 0.00 0.00 0.00 178.15 178.65 3sqc n LEU 275 N -4.24 2.01 -0.58 1.44 4.77 -0.73 -4.89 117.00 114.80 3sqc n LEU 275 Ca 0.00 -1.02 -0.07 0.00 -0.03 0.00 0.00 56.01 54.89 3sqc n LEU 275 Cb 0.29 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 3sqc n LEU 275 CO 0.39 0.33 -0.07 0.47 -1.33 0.00 0.00 177.39 177.19 3sqc n ASP 276 N 0.16 -5.79 -1.89 -1.43 8.00 -0.89 -4.86 116.55 109.84 3sqc n ASP 276 Ca 0.08 0.18 -0.18 0.00 0.71 0.00 0.00 54.79 55.58 3sqc n ASP 276 Cb 0.43 -3.97 0.05 0.00 -0.02 0.00 0.00 41.12 37.61 3sqc n ASP 276 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3sqc n MET 277 N -0.21 1.86 0.23 -1.24 2.81 -0.80 -4.51 117.12 115.26 3sqc n MET 277 Ca -0.07 -1.74 0.16 0.00 -1.81 0.00 0.00 57.70 54.23 3sqc n MET 277 Cb 0.56 -1.68 0.61 0.00 -0.71 0.00 0.00 33.22 32.00 3sqc n MET 277 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3sqc h THR 278 N 0.91 0.00 -0.42 2.03 1.35 -1.88 -2.93 112.91 111.97 3sqc h THR 278 Ca 0.33 -0.47 -0.27 0.00 -0.55 0.00 0.00 66.41 65.45 3sqc h THR 278 Cb 1.10 1.40 -0.19 0.00 -1.73 0.00 0.00 68.15 68.74 3sqc h THR 278 CO 0.81 0.00 -0.35 0.00 -0.25 0.00 0.00 175.52 175.73 3sqc n GLN 279 N -2.86 2.35 -4.38 4.72 10.64 -1.26 -4.58 117.38 122.01 3sqc n GLN 279 Ca 0.01 -3.52 -0.35 0.00 -1.83 0.00 0.00 57.00 51.31 3sqc n GLN 279 Cb 0.30 -1.93 -0.10 0.00 -0.86 0.00 0.00 30.24 27.66 3sqc n GLN 279 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 3sqc s HIS 280 N -3.40 3.15 0.29 2.61 2.46 -1.11 -5.01 115.29 114.28 3sqc s HIS 280 Ca 0.46 0.19 -0.02 0.00 0.47 0.00 0.00 55.06 56.16 3sqc s HIS 280 Cb 0.41 -1.78 0.62 0.00 -0.13 0.00 0.00 32.58 31.69 3sqc s HIS 280 CO -0.01 0.47 1.59 -1.35 -2.47 0.00 0.00 174.74 172.96 3sqc h PRO 281 N 5.15 0.03 -0.98 2.88 0.11 -1.94 -0.59 132.00 136.67 3sqc h PRO 281 Ca -0.51 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.64 3sqc h PRO 281 Cb 1.19 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 3sqc h PRO 281 CO 0.54 0.02 0.64 0.00 -0.21 0.00 0.00 178.00 178.99 3sqc h ALA 282 N 1.92 1.36 0.62 -0.75 0.00 -1.96 -0.18 119.26 120.27 3sqc h ALA 282 Ca 0.53 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 3sqc h ALA 282 Cb 1.01 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.45 3sqc h ALA 282 CO -0.88 0.54 -0.30 0.35 0.00 0.00 0.00 179.25 178.97 3sqc h PHE 283 N 1.24 -0.77 -0.68 0.00 3.04 -1.37 -0.20 116.94 118.21 3sqc h PHE 283 Ca 0.39 -0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.39 3sqc h PHE 283 Cb -0.00 0.25 -0.10 0.00 2.56 0.00 0.00 35.95 38.66 3sqc h PHE 283 CO -0.00 -0.45 -0.57 0.82 -2.02 0.00 0.00 178.31 176.09 3sqc h ILE 284 N -1.18 0.00 -0.74 1.41 1.08 -1.30 0.21 117.51 117.00 3sqc h ILE 284 Ca -0.08 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.45 3sqc h ILE 284 Cb 0.66 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.36 3sqc h ILE 284 CO 0.14 0.00 0.43 0.50 -0.69 0.00 0.00 178.15 178.53 3sqc h LYS 285 N -0.21 0.77 -0.49 2.37 1.63 -1.08 -2.08 116.57 117.47 3sqc h LYS 285 Ca 0.12 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.89 3sqc h LYS 285 Cb 0.51 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.94 3sqc h LYS 285 CO -0.76 0.51 0.30 0.78 -3.45 0.00 0.00 179.45 176.83 3sqc h GLY 286 N 0.79 0.69 0.87 5.01 0.00 0.10 -1.67 103.07 108.86 3sqc h GLY 286 Ca 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 3sqc h GLY 286 CO -0.18 0.20 -0.17 -0.25 0.00 0.00 0.00 176.54 176.14 3sqc h TRP 287 N 0.60 -0.45 0.00 5.60 2.91 -0.22 -3.13 115.95 121.26 3sqc h TRP 287 Ca 0.19 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.20 3sqc h TRP 287 Cb -0.01 0.15 0.00 0.00 -0.51 0.00 0.00 29.16 28.79 3sqc h TRP 287 CO -0.06 -0.20 0.00 1.05 -1.03 0.00 0.00 178.44 178.20 3sqc h GLU 288 N -0.62 0.00 0.00 2.65 4.11 -1.35 -2.59 114.58 116.78 3sqc h GLU 288 Ca -0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 3sqc h GLU 288 Cb 0.45 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 3sqc h GLU 288 CO 0.08 0.00 -0.11 0.78 0.07 0.00 0.00 179.01 179.83 3sqc h GLY 289 N 1.79 0.00 0.44 1.06 0.00 -1.24 -3.24 103.07 101.87 3sqc h GLY 289 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 3sqc h GLY 289 CO 0.00 0.00 0.48 1.41 0.00 0.00 0.00 176.54 178.43 3sqc h LEU 290 N 0.00 0.66 -1.94 3.11 3.38 -1.52 -2.28 115.31 116.71 3sqc h LEU 290 Ca -0.00 0.06 0.22 0.00 0.09 0.00 0.00 57.88 58.25 3sqc h LEU 290 Cb 0.79 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 3sqc h LEU 290 CO 0.01 0.35 0.61 -0.33 0.09 0.00 0.00 178.44 179.18 3sqc h GLU 291 N 0.76 0.00 0.00 1.13 4.39 -1.77 0.48 114.58 119.57 3sqc h GLU 291 Ca 0.43 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 60.04 3sqc h GLU 291 Cb 0.46 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 3sqc h GLU 291 CO -0.28 0.00 -0.39 1.25 -1.16 0.00 0.00 179.01 178.43 3sqc h LEU 292 N 0.00 0.00 0.00 1.33 5.85 -1.65 -3.01 115.31 117.83 3sqc h LEU 292 Ca 0.36 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.08 3sqc h LEU 292 Cb 1.58 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.61 3sqc h LEU 292 CO -0.00 0.39 -0.63 -1.22 -0.34 0.00 0.00 178.44 176.64 3sqc n TYR 293 N -3.53 0.20 -2.81 1.25 4.02 0.14 -4.89 117.16 111.54 3sqc n TYR 293 Ca -0.00 0.06 -0.36 0.00 -0.01 0.00 0.00 57.90 57.59 3sqc n TYR 293 Cb 0.52 -0.39 -0.07 0.00 -0.02 0.00 0.00 39.34 39.39 3sqc n TYR 293 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3sqc s GLY 294 N -3.29 2.65 -0.03 2.72 0.00 -1.13 -0.88 107.32 107.35 3sqc s GLY 294 Ca 0.08 0.46 0.04 0.00 0.00 0.00 0.00 44.72 45.30 3sqc s GLY 294 CO 0.73 0.84 -0.13 0.14 0.00 0.00 0.00 173.10 174.67 3sqc s VAL 295 N -1.81 1.12 -0.25 1.40 1.01 0.22 -4.94 120.40 117.15 3sqc s VAL 295 Ca 0.54 -0.55 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 3sqc s VAL 295 Cb -0.15 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 3sqc s VAL 295 CO 0.20 0.33 0.50 -0.70 0.00 0.00 0.00 175.10 175.43 3sqc s GLU 296 N 0.08 4.09 0.06 2.72 2.56 -1.26 -1.13 118.70 125.81 3sqc s GLU 296 Ca -0.03 0.31 -0.12 0.00 0.00 0.00 0.00 54.97 55.13 3sqc s GLU 296 Cb -0.10 -3.63 -0.06 0.00 2.00 0.00 0.00 34.13 32.34 3sqc s GLU 296 CO 0.01 -0.29 0.42 -0.51 -0.56 0.00 0.00 175.26 174.33 3sqc s LEU 297 N 2.12 4.40 0.44 2.70 1.43 -0.05 -4.99 118.68 124.73 3sqc s LEU 297 Ca 0.21 0.90 0.16 0.00 -1.03 0.00 0.00 54.13 54.37 3sqc s LEU 297 Cb -0.16 -2.86 1.08 0.00 0.03 0.00 0.00 46.19 44.28 3sqc s LEU 297 CO 0.09 0.22 1.96 -2.24 0.23 0.00 0.00 176.35 176.61 3sqc h ASP 298 N 4.08 0.34 0.00 2.29 3.04 -1.97 -1.79 116.42 122.40 3sqc h ASP 298 Ca -0.50 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.30 3sqc h ASP 298 Cb 1.20 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 39.44 3sqc h ASP 298 CO 0.64 0.19 0.00 0.00 -2.04 0.00 0.00 179.24 178.03 3sqc n TYR 299 N -4.46 0.00 -0.26 4.15 0.18 -1.26 -4.80 117.16 110.71 3sqc n TYR 299 Ca 0.11 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.89 3sqc n TYR 299 Cb 0.45 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.41 3sqc n TYR 299 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3sqc n GLY 300 N 0.35 0.75 3.64 -7.48 0.00 -0.68 -5.04 105.19 96.72 3sqc n GLY 300 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 3sqc n GLY 300 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sqc n GLY 301 N -2.13 0.65 3.20 -0.02 0.00 -1.17 -4.38 105.19 101.34 3sqc n GLY 301 Ca 0.00 -2.03 -0.11 0.00 0.00 0.00 0.00 46.02 43.89 3sqc n GLY 301 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3sqc s TRP 302 N -2.88 -0.60 0.44 1.61 -0.00 -0.62 -0.87 118.94 116.02 3sqc s TRP 302 Ca 0.62 1.25 0.06 0.00 -0.00 0.00 0.00 56.10 58.03 3sqc s TRP 302 Cb -0.04 0.20 -0.04 0.00 -0.00 0.00 0.00 33.47 33.59 3sqc s TRP 302 CO 0.41 -0.38 0.16 0.00 -0.00 0.00 0.00 176.95 177.15 3sqc s MET 303 N 1.96 2.19 -0.09 5.86 0.23 -0.28 -4.56 119.30 124.61 3sqc s MET 303 Ca -0.05 -1.97 0.01 0.00 -1.03 0.00 0.00 55.69 52.65 3sqc s MET 303 Cb -0.10 -1.90 0.02 0.00 -1.53 0.00 0.00 34.83 31.32 3sqc s MET 303 CO -0.12 -0.20 -0.10 0.12 -2.03 0.00 0.00 175.02 172.69 3sqc s PHE 304 N -2.67 1.51 0.08 3.16 2.19 -1.26 -0.61 117.98 120.37 3sqc s PHE 304 Ca 0.35 -0.66 -0.30 0.00 0.33 0.00 0.00 56.93 56.64 3sqc s PHE 304 Cb 0.04 -1.17 -0.05 0.00 -1.31 0.00 0.00 43.02 40.52 3sqc s PHE 304 CO 0.19 -0.40 1.09 -0.65 1.83 0.00 0.00 175.22 177.28 3sqc s GLN 305 N 1.17 4.54 0.50 10.12 -0.21 -0.06 -4.75 119.66 130.97 3sqc s GLN 305 Ca -0.05 1.63 0.16 0.00 0.02 0.00 0.00 55.36 57.12 3sqc s GLN 305 Cb -0.14 -3.36 1.22 0.00 1.00 0.00 0.00 33.01 31.73 3sqc s GLN 305 CO -0.02 -0.07 2.11 0.00 -2.12 0.00 0.00 175.29 175.19 3sqc h ALA 306 N 6.23 2.03 -2.28 6.09 0.00 -1.90 -3.45 119.26 125.98 3sqc h ALA 306 Ca -0.42 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.53 3sqc h ALA 306 Cb 1.21 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3sqc h ALA 306 CO 0.76 -0.06 0.27 0.45 0.00 0.00 0.00 179.25 180.68 3sqc n SER 307 N -4.51 -1.08 -4.01 0.00 2.88 -1.26 -2.04 113.62 103.60 3sqc n SER 307 Ca -0.00 -1.64 -0.18 0.00 -1.33 0.00 0.00 58.87 55.72 3sqc n SER 307 Cb 0.16 1.78 -0.14 0.00 -0.75 0.00 0.00 64.21 65.26 3sqc n SER 307 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 3sqc s ILE 308 N -2.36 0.64 -0.39 2.46 -4.36 -1.26 -4.61 121.20 111.32 3sqc s ILE 308 Ca 0.11 -0.39 0.05 0.00 -0.26 0.00 0.00 60.65 60.16 3sqc s ILE 308 Cb -0.02 -0.54 0.48 0.00 1.25 0.00 0.00 42.46 43.63 3sqc s ILE 308 CO 0.04 0.15 1.53 -1.54 0.24 0.00 0.00 174.94 175.36 3sqc n SER 309 N 2.79 4.69 -0.24 4.36 3.41 -1.26 -3.51 113.62 123.86 3sqc n SER 309 Ca -0.14 -3.77 -0.01 0.00 -0.26 0.00 0.00 58.87 54.69 3sqc n SER 309 Cb 0.57 -0.63 0.10 0.00 -0.26 0.00 0.00 64.21 63.99 3sqc n SER 309 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3sqc h PRO 310 N 1.66 0.68 -0.21 4.33 0.13 -1.77 0.11 132.00 136.93 3sqc h PRO 310 Ca 0.39 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.41 3sqc h PRO 310 Cb 1.46 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 3sqc h PRO 310 CO 0.85 0.45 -0.16 0.28 -0.23 0.00 0.00 178.00 179.20 3sqc h VAL 311 N 0.70 1.32 0.26 1.56 2.07 -1.63 -0.55 116.25 119.97 3sqc h VAL 311 Ca 0.31 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.56 3sqc h VAL 311 Cb 0.19 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 3sqc h VAL 311 CO -0.19 0.39 -0.33 -0.25 0.02 0.00 0.00 177.57 177.22 3sqc h TRP 312 N 0.18 -0.88 0.07 1.57 -0.00 -1.61 0.13 115.95 115.40 3sqc h TRP 312 Ca 0.04 0.01 0.02 0.00 -0.00 0.00 0.00 58.89 58.97 3sqc h TRP 312 Cb 0.68 0.35 -0.05 0.00 -0.00 0.00 0.00 29.16 30.14 3sqc h TRP 312 CO 0.07 -0.45 -0.40 -0.44 -0.00 0.00 0.00 178.44 177.22 3sqc h ASP 313 N -0.64 -1.18 -0.11 2.65 3.32 -0.74 -0.57 116.42 119.16 3sqc h ASP 313 Ca -0.00 0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.22 3sqc h ASP 313 Cb 0.61 0.45 -0.05 0.00 0.22 0.00 0.00 39.33 40.56 3sqc h ASP 313 CO -0.10 -0.46 -0.18 0.74 -1.72 0.00 0.00 179.24 177.52 3sqc h THR 314 N -0.60 0.54 -0.12 0.35 2.02 -0.97 0.13 112.91 114.26 3sqc h THR 314 Ca 0.03 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.26 3sqc h THR 314 Cb 0.65 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 3sqc h THR 314 CO -0.26 0.00 -0.17 1.23 0.37 0.00 0.00 175.52 176.70 3sqc h GLY 315 N -0.24 -0.11 0.98 2.16 0.00 -0.67 -1.75 103.07 103.43 3sqc h GLY 315 Ca 0.09 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 3sqc h GLY 315 CO -0.24 -0.16 0.27 1.41 0.00 0.00 0.00 176.54 177.81 3sqc h LEU 316 N -0.21 0.58 -0.55 3.11 3.38 -0.84 -2.67 115.31 118.10 3sqc h LEU 316 Ca 0.09 -0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.09 3sqc h LEU 316 Cb 0.35 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.86 3sqc h LEU 316 CO -0.25 0.49 0.05 0.00 0.09 0.00 0.00 178.44 178.83 3sqc h ALA 317 N 1.11 0.59 0.07 1.53 0.00 -0.38 0.26 119.26 122.43 3sqc h ALA 317 Ca 0.17 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.23 3sqc h ALA 317 Cb 0.03 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3sqc h ALA 317 CO -0.03 -0.35 -0.12 0.28 0.00 0.00 0.00 179.25 179.02 3sqc h VAL 318 N 0.18 0.71 -1.01 0.00 2.07 -1.13 -0.06 116.25 117.01 3sqc h VAL 318 Ca 0.29 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.88 3sqc h VAL 318 Cb 0.43 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 3sqc h VAL 318 CO -0.42 0.00 0.65 -0.07 0.02 0.00 0.00 177.57 177.74 3sqc h LEU 319 N -0.24 1.02 0.52 2.57 3.38 -0.99 0.22 115.31 121.79 3sqc h LEU 319 Ca 0.02 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3sqc h LEU 319 Cb 0.26 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.82 3sqc h LEU 319 CO -0.08 0.63 -0.25 0.00 0.09 0.00 0.00 178.44 178.83 3sqc h ALA 320 N 1.47 -0.70 -0.87 1.53 0.00 -0.43 -1.21 119.26 119.05 3sqc h ALA 320 Ca 0.45 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3sqc h ALA 320 Cb 0.24 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3sqc h ALA 320 CO -0.19 -0.87 0.52 -0.07 0.00 0.00 0.00 179.25 178.64 3sqc h LEU 321 N -0.76 1.05 -0.34 0.00 3.38 -0.34 0.12 115.31 118.43 3sqc h LEU 321 Ca -0.07 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3sqc h LEU 321 Cb 0.56 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3sqc h LEU 321 CO 0.12 0.81 0.19 0.03 0.09 0.00 0.00 178.44 179.68 3sqc h ARG 322 N 1.20 0.46 -0.44 1.13 2.47 -0.50 -1.81 114.38 116.89 3sqc h ARG 322 Ca 0.31 -0.05 -0.08 0.00 -1.26 0.00 0.00 59.98 58.91 3sqc h ARG 322 Cb -0.04 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.17 3sqc h ARG 322 CO -0.06 0.37 -0.04 0.00 0.56 0.00 0.00 179.97 180.80 3sqc h ALA 323 N 1.07 1.12 -0.87 0.04 0.00 -0.90 -2.69 119.26 117.02 3sqc h ALA 323 Ca 0.12 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3sqc h ALA 323 Cb 0.04 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 3sqc h ALA 323 CO -0.02 0.56 0.57 0.00 0.00 0.00 0.00 179.25 180.36 3sqc h ALA 324 N 1.28 1.52 0.00 0.00 0.00 -0.29 -3.40 119.26 118.37 3sqc h ALA 324 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3sqc h ALA 324 Cb 0.48 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3sqc h ALA 324 CO 0.02 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.05 3sqc n GLY 325 N -1.40 0.65 3.72 0.00 0.00 -0.73 -4.82 105.19 102.61 3sqc n GLY 325 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3sqc n GLY 325 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3sqc n LEU 326 N 0.00 3.97 -4.76 0.99 4.77 -0.91 -4.95 117.00 116.11 3sqc n LEU 326 Ca 0.00 1.17 -0.38 0.00 -0.03 0.00 0.00 56.01 56.78 3sqc n LEU 326 Cb 0.00 -1.54 0.02 0.00 -2.33 0.00 0.00 43.42 39.58 3sqc n LEU 326 CO 0.00 -0.13 0.91 -2.16 -1.33 0.00 0.00 177.39 174.68 3sqc s PRO 327 N -1.09 3.35 0.55 3.23 0.04 -1.26 -4.57 135.00 135.25 3sqc s PRO 327 Ca 0.61 2.03 0.27 0.00 0.04 0.00 0.00 61.00 63.95 3sqc s PRO 327 Cb -0.54 -2.28 1.46 0.00 0.04 0.00 0.00 34.50 33.17 3sqc s PRO 327 CO 0.55 -0.96 1.97 0.00 0.04 0.00 0.00 177.00 178.60 3sqc h ALA 328 N 1.62 2.41 -0.66 8.56 0.00 -1.93 -0.84 119.26 128.42 3sqc h ALA 328 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3sqc h ALA 328 Cb 1.28 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3sqc h ALA 328 CO 0.58 -0.70 0.00 -0.40 0.00 0.00 0.00 179.25 178.73 3sqc n ASP 329 N -4.15 4.77 -4.63 0.00 5.68 -1.26 -1.79 116.55 115.17 3sqc n ASP 329 Ca 0.10 -2.44 -0.49 0.00 -0.50 0.00 0.00 54.79 51.46 3sqc n ASP 329 Cb 0.64 -0.58 -0.05 0.00 -1.14 0.00 0.00 41.12 39.99 3sqc n ASP 329 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 3sqc n HIS 330 N 1.16 2.11 -0.52 2.11 -0.00 -0.32 -4.80 115.22 114.95 3sqc n HIS 330 Ca 0.26 0.10 0.43 0.00 0.46 0.00 0.00 57.72 58.97 3sqc n HIS 330 Cb 0.89 -2.62 0.74 0.00 -0.12 0.00 0.00 29.99 28.88 3sqc n HIS 330 CO 0.00 0.00 0.00 0.38 0.46 0.00 0.00 176.34 177.18 3sqc h ASP 331 N 10.33 0.10 -0.06 0.26 2.03 -1.93 0.30 116.42 127.44 3sqc h ASP 331 Ca -0.43 0.05 -0.07 0.00 -0.73 0.00 0.00 57.03 55.85 3sqc h ASP 331 Cb 1.28 0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.83 3sqc h ASP 331 CO 0.97 -0.06 -0.24 -0.09 -1.03 0.00 0.00 179.24 178.79 3sqc h ARG 332 N 0.04 0.27 0.00 4.15 9.65 -1.98 -2.92 114.38 123.60 3sqc h ARG 332 Ca 0.81 -0.21 0.00 0.00 -1.10 0.00 0.00 59.98 59.48 3sqc h ARG 332 Cb 2.96 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 31.58 3sqc h ARG 332 CO -0.16 0.84 0.00 -0.07 2.80 0.00 0.00 179.97 183.38 3sqc h LEU 333 N -0.25 0.00 0.05 3.80 3.38 -0.86 -2.83 115.31 118.60 3sqc h LEU 333 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 3sqc h LEU 333 Cb 0.88 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.64 3sqc h LEU 333 CO 0.05 0.00 -0.72 0.58 0.09 0.00 0.00 178.44 178.44 3sqc h VAL 334 N 0.00 1.44 -0.59 1.22 2.07 -1.00 -1.80 116.25 117.59 3sqc h VAL 334 Ca 0.00 -2.24 0.08 0.00 0.82 0.00 0.00 66.70 65.36 3sqc h VAL 334 Cb 0.40 2.77 -0.06 0.00 -1.52 0.00 0.00 31.29 32.87 3sqc h VAL 334 CO 0.00 0.65 0.25 0.11 0.02 0.00 0.00 177.57 178.60 3sqc h LYS 335 N -0.14 0.45 -0.20 1.57 1.79 -1.31 0.22 116.57 118.95 3sqc h LYS 335 Ca -0.10 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.36 3sqc h LYS 335 Cb 1.46 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.99 3sqc h LYS 335 CO 0.14 0.30 0.07 0.00 -1.08 0.00 0.00 179.45 178.87 3sqc h ALA 336 N 1.38 0.22 -0.49 3.86 0.00 -1.54 -0.75 119.26 121.94 3sqc h ALA 336 Ca 0.29 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.24 3sqc h ALA 336 Cb 0.30 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3sqc h ALA 336 CO -0.26 -0.36 0.30 0.78 0.00 0.00 0.00 179.25 179.72 3sqc h GLY 337 N 0.16 0.69 0.97 0.00 0.00 -0.22 -1.22 103.07 103.45 3sqc h GLY 337 Ca 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 3sqc h GLY 337 CO -0.09 0.21 0.21 0.83 0.00 0.00 0.00 176.54 177.70 3sqc h GLU 338 N 0.61 0.73 -0.15 4.80 4.39 -0.33 -2.10 114.58 122.53 3sqc h GLU 338 Ca 0.19 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.79 3sqc h GLU 338 Cb -0.01 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 3sqc h GLU 338 CO -0.07 0.64 -0.00 2.35 -1.16 0.00 0.00 179.01 180.76 3sqc h TRP 339 N 0.66 -0.02 -0.79 4.33 7.01 -0.84 -2.61 115.95 123.70 3sqc h TRP 339 Ca 0.17 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.25 3sqc h TRP 339 Cb 0.17 0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.19 3sqc h TRP 339 CO 0.00 -0.02 0.47 -0.07 -2.79 0.00 0.00 178.44 176.02 3sqc h LEU 340 N 0.04 0.71 -1.02 0.65 3.38 -0.99 -2.49 115.31 115.58 3sqc h LEU 340 Ca 0.07 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3sqc h LEU 340 Cb 0.09 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 3sqc h LEU 340 CO -0.12 0.44 0.66 -0.07 0.09 0.00 0.00 178.44 179.43 3sqc h LEU 341 N 0.83 1.10 -0.37 1.67 3.38 -1.00 -0.94 115.31 119.98 3sqc h LEU 341 Ca 0.36 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3sqc h LEU 341 Cb 0.23 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3sqc h LEU 341 CO -0.20 0.76 0.00 0.47 0.09 0.00 0.00 178.44 179.57 3sqc n ASP 342 N -4.43 0.38 0.07 -0.43 8.00 -0.95 -2.76 116.55 116.43 3sqc n ASP 342 Ca 0.13 0.59 0.12 0.00 0.71 0.00 0.00 54.79 56.35 3sqc n ASP 342 Cb 0.08 -0.67 0.26 0.00 -0.02 0.00 0.00 41.12 40.77 3sqc n ASP 342 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3sqc n ARG 343 N -1.92 0.26 -1.76 -1.24 3.00 -0.36 -4.93 116.66 109.71 3sqc n ARG 343 Ca 0.03 0.12 -0.42 0.00 -0.00 0.00 0.00 57.85 57.58 3sqc n ARG 343 Cb 0.21 -1.71 -0.02 0.00 0.00 0.00 0.00 32.46 30.94 3sqc n ARG 343 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 3sqc s GLN 344 N -3.13 4.13 -0.11 -0.14 0.74 -1.11 -4.72 119.66 115.31 3sqc s GLN 344 Ca 0.08 2.58 -0.24 0.00 0.05 0.00 0.00 55.36 57.83 3sqc s GLN 344 Cb 0.13 -3.05 -0.03 0.00 1.10 0.00 0.00 33.01 31.16 3sqc s GLN 344 CO 0.68 -0.69 0.76 0.42 -0.55 0.00 0.00 175.29 175.91 3sqc s ILE 345 N 0.62 4.97 -0.87 -2.34 1.09 -0.69 -4.95 121.20 119.03 3sqc s ILE 345 Ca 0.69 1.54 0.07 0.00 -1.10 0.00 0.00 60.65 61.85 3sqc s ILE 345 Cb -0.48 -4.09 0.06 0.00 -1.06 0.00 0.00 42.46 36.88 3sqc s ILE 345 CO 0.39 0.16 0.72 0.35 -0.10 0.00 0.00 174.94 176.46 3sqc n THR 346 N 4.19 0.00 -3.80 2.92 -2.24 -1.26 -2.75 114.28 111.35 3sqc n THR 346 Ca 0.01 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 61.08 3sqc n THR 346 Cb 0.50 1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 69.85 3sqc n THR 346 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3sqc s VAL 347 N -0.58 3.81 0.51 2.28 -7.23 -1.26 -4.70 120.40 113.22 3sqc s VAL 347 Ca 0.08 -1.30 -0.14 0.00 -1.81 0.00 0.00 61.98 58.81 3sqc s VAL 347 Cb 0.06 -3.28 -0.07 0.00 0.56 0.00 0.00 36.38 33.65 3sqc s VAL 347 CO 0.09 -0.20 0.94 -2.84 -0.31 0.00 0.00 175.10 172.78 3sqc s PRO 348 N -4.01 3.85 0.12 4.82 0.02 -1.26 -4.76 135.00 133.79 3sqc s PRO 348 Ca 0.40 0.81 0.01 0.00 0.02 0.00 0.00 61.00 62.24 3sqc s PRO 348 Cb -0.07 -2.19 -0.00 0.00 0.02 0.00 0.00 34.50 32.26 3sqc s PRO 348 CO 0.27 -0.26 0.03 0.41 -0.33 0.00 0.00 177.00 177.11 3sqc n GLY 349 N -1.71 3.92 0.44 0.52 0.00 -1.26 -4.80 105.19 102.30 3sqc n GLY 349 Ca 0.05 -2.07 0.25 0.00 0.00 0.00 0.00 46.02 44.26 3sqc n GLY 349 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3sqc h ASP 350 N 0.41 0.23 -0.68 1.61 5.19 -1.91 0.24 116.42 121.50 3sqc h ASP 350 Ca -0.10 0.03 0.10 0.00 -0.62 0.00 0.00 57.03 56.44 3sqc h ASP 350 Cb 0.34 -0.01 -0.04 0.00 0.18 0.00 0.00 39.33 39.80 3sqc h ASP 350 CO 0.16 0.07 0.45 4.11 -3.12 0.00 0.00 179.24 180.91 3sqc h TRP 351 N 0.21 0.56 0.00 4.55 5.08 -1.85 -0.76 115.95 123.74 3sqc h TRP 351 Ca 0.49 0.02 0.00 0.00 1.08 0.00 0.00 58.89 60.48 3sqc h TRP 351 Cb 1.56 -0.18 0.00 0.00 -3.00 0.00 0.00 29.16 27.54 3sqc h TRP 351 CO -0.00 0.26 0.02 0.00 -1.28 0.00 0.00 178.44 177.44 3sqc n ALA 352 N -2.49 1.00 0.21 0.11 0.00 0.83 -1.65 120.51 118.52 3sqc n ALA 352 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.64 3sqc n ALA 352 Cb 0.36 -0.96 0.43 0.00 0.00 0.00 0.00 19.45 19.28 3sqc n ALA 352 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3sqc h VAL 353 N 0.00 0.62 -0.00 0.00 2.07 -1.29 -2.73 116.25 114.92 3sqc h VAL 353 Ca 0.00 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.32 3sqc h VAL 353 Cb 0.04 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3sqc h VAL 353 CO 0.00 0.25 -0.62 1.17 0.02 0.00 0.00 177.57 178.39 3sqc n LYS 354 N -3.43 2.55 -3.18 1.57 3.00 -0.66 -4.73 118.16 113.28 3sqc n LYS 354 Ca 0.00 -0.02 -0.23 0.00 -0.00 0.00 0.00 58.31 58.06 3sqc n LYS 354 Cb 0.45 -1.13 -0.06 0.00 0.00 0.00 0.00 35.03 34.28 3sqc n LYS 354 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3sqc n ARG 355 N -1.29 0.61 0.22 1.64 5.12 -1.15 -4.98 116.66 116.83 3sqc n ARG 355 Ca 0.03 -3.07 0.07 0.00 -1.93 0.00 0.00 57.85 52.94 3sqc n ARG 355 Cb 0.21 -1.32 0.49 0.00 -1.16 0.00 0.00 32.46 30.68 3sqc n ARG 355 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3sqc h PRO 356 N 4.32 0.00 -0.67 5.56 0.11 -1.77 -2.81 132.00 136.74 3sqc h PRO 356 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3sqc h PRO 356 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3sqc h PRO 356 CO 0.42 0.27 0.00 0.09 -0.21 0.00 0.00 178.00 178.57 3sqc n ASN 357 N -3.85 3.90 -4.74 -2.05 5.03 -1.26 -4.90 115.26 107.39 3sqc n ASN 357 Ca -0.02 -2.15 -0.37 0.00 0.87 0.00 0.00 54.58 52.91 3sqc n ASN 357 Cb 0.35 -0.49 -0.06 0.00 -1.02 0.00 0.00 39.78 38.56 3sqc n ASN 357 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3sqc s LEU 358 N -1.26 4.29 -0.05 3.41 2.96 -1.06 -5.06 118.68 121.90 3sqc s LEU 358 Ca 0.46 0.70 -0.27 0.00 -0.22 0.00 0.00 54.13 54.80 3sqc s LEU 358 Cb 0.26 -2.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 3sqc s LEU 358 CO 0.28 0.08 0.88 -0.54 -1.32 0.00 0.00 176.35 175.73 3sqc s LYS 359 N 0.34 4.48 0.46 1.98 -0.14 -1.26 -5.02 119.74 120.58 3sqc s LYS 359 Ca 0.22 1.20 -0.25 0.00 -1.36 0.00 0.00 55.97 55.78 3sqc s LYS 359 Cb -0.14 -3.47 -0.08 0.00 -1.68 0.00 0.00 37.83 32.45 3sqc s LYS 359 CO 0.08 -0.06 1.43 -1.25 -0.76 0.00 0.00 175.35 174.79 3sqc s PRO 360 N 1.13 3.63 0.00 -1.68 0.04 -1.26 -4.58 135.00 132.28 3sqc s PRO 360 Ca 0.46 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.92 3sqc s PRO 360 Cb -0.19 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.72 3sqc s PRO 360 CO 0.22 -0.86 0.02 0.41 0.04 0.00 0.00 177.00 176.83 3sqc n GLY 361 N 0.58 0.14 1.48 0.56 0.00 -1.11 -4.76 105.19 102.08 3sqc n GLY 361 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 3sqc n GLY 361 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sqc n GLY 362 N 0.00 -1.48 2.95 -0.02 0.00 -1.25 -3.71 105.19 101.69 3sqc n GLY 362 Ca 0.00 -1.65 -0.11 0.00 0.00 0.00 0.00 46.02 44.26 3sqc n GLY 362 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3sqc s PHE 363 N -2.08 0.24 0.60 1.61 0.40 -1.26 -1.70 117.98 115.79 3sqc s PHE 363 Ca 0.29 -0.29 0.06 0.00 -0.60 0.00 0.00 56.93 56.39 3sqc s PHE 363 Cb -0.01 -0.16 0.09 0.00 0.51 0.00 0.00 43.02 43.45 3sqc s PHE 363 CO 0.21 -0.09 0.83 0.00 0.70 0.00 0.00 175.22 176.86 3sqc s ALA 364 N -0.79 4.31 -0.15 5.36 0.00 -1.26 -1.38 121.76 127.85 3sqc s ALA 364 Ca -0.08 -1.90 -0.24 0.00 0.00 0.00 0.00 51.96 49.74 3sqc s ALA 364 Cb -0.06 -1.70 -0.24 0.00 0.00 0.00 0.00 23.12 21.12 3sqc s ALA 364 CO -0.00 -0.97 0.58 0.35 0.00 0.00 0.00 175.76 175.71 3sqc h PHE 365 N 0.00 0.11 -2.26 0.00 3.57 -1.89 -3.43 116.94 113.03 3sqc h PHE 365 Ca -0.34 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.08 3sqc h PHE 365 Cb 1.28 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.02 3sqc h PHE 365 CO 0.22 1.25 0.00 0.00 -2.23 0.00 0.00 178.31 177.56 3sqc n GLN 366 N -4.42 0.38 0.08 1.11 0.00 -1.23 -1.94 117.38 111.36 3sqc n GLN 366 Ca -0.19 0.00 -0.07 0.00 0.00 0.00 0.00 57.00 56.74 3sqc n GLN 366 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.83 3sqc n GLN 366 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 3sqc h PHE 367 N -0.68 -0.28 -3.06 2.61 0.04 -1.92 -3.41 116.94 110.23 3sqc h PHE 367 Ca 0.00 -0.01 -0.62 0.00 2.80 0.00 0.00 57.97 60.14 3sqc h PHE 367 Cb 0.00 0.09 -0.41 0.00 2.20 0.00 0.00 35.95 37.84 3sqc h PHE 367 CO 0.00 -0.06 -0.69 0.34 -0.60 0.00 0.00 178.31 177.29 3sqc s ASP 368 N -5.27 3.89 -0.39 2.17 2.15 -1.26 -5.00 116.67 112.97 3sqc s ASP 368 Ca -0.07 -3.04 0.03 0.00 0.43 0.00 0.00 52.55 49.89 3sqc s ASP 368 Cb 0.00 -1.28 0.16 0.00 -0.30 0.00 0.00 42.92 41.50 3sqc s ASP 368 CO 0.24 -0.21 0.33 0.21 -0.17 0.00 0.00 175.17 175.57 3sqc s ASN 369 N -0.25 1.64 0.31 -0.34 2.47 -1.26 -2.72 114.94 114.80 3sqc s ASN 369 Ca 0.20 -2.37 0.15 0.00 0.42 0.00 0.00 52.86 51.27 3sqc s ASN 369 Cb -0.18 -0.03 0.43 0.00 -1.45 0.00 0.00 41.25 40.01 3sqc s ASN 369 CO -0.05 -0.22 1.62 -0.37 -3.72 0.00 0.00 177.10 174.35 3sqc h VAL 370 N 4.87 1.06 0.00 -5.21 -1.51 -1.95 -3.29 116.25 110.21 3sqc h VAL 370 Ca 0.14 -1.94 0.00 0.00 -1.23 0.00 0.00 66.70 63.67 3sqc h VAL 370 Cb 0.98 2.15 0.00 0.00 -2.13 0.00 0.00 31.29 32.28 3sqc h VAL 370 CO 0.27 0.49 -0.30 -1.22 -1.23 0.00 0.00 177.57 175.58 3sqc n TYR 371 N -3.50 0.14 -3.01 5.19 4.01 -1.26 -4.45 117.16 114.28 3sqc n TYR 371 Ca 0.00 0.04 -0.23 0.00 -0.16 0.00 0.00 57.90 57.56 3sqc n TYR 371 Cb 0.61 -0.44 -0.03 0.00 -0.31 0.00 0.00 39.34 39.17 3sqc n TYR 371 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3sqc n TYR 372 N -1.63 2.31 -1.42 -0.72 4.01 -1.24 -3.10 117.16 115.37 3sqc n TYR 372 Ca 0.06 -3.83 -0.32 0.00 -0.16 0.00 0.00 57.90 53.65 3sqc n TYR 372 Cb 0.36 -0.44 0.08 0.00 -0.31 0.00 0.00 39.34 39.03 3sqc n TYR 372 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3sqc s PRO 373 N -3.03 2.39 0.11 -0.72 0.04 -1.26 -4.74 135.00 127.78 3sqc s PRO 373 Ca 0.44 1.28 0.07 0.00 0.04 0.00 0.00 61.00 62.83 3sqc s PRO 373 Cb 0.32 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.92 3sqc s PRO 373 CO -0.11 -1.55 -0.16 0.16 0.04 0.00 0.00 177.00 175.37 3sqc s ASP 374 N -3.03 2.16 0.12 6.66 1.47 -0.48 -4.69 116.67 118.88 3sqc s ASP 374 Ca 0.64 -0.74 -0.18 0.00 1.18 0.00 0.00 52.55 53.45 3sqc s ASP 374 Cb -0.19 -0.09 -0.04 0.00 -0.34 0.00 0.00 42.92 42.26 3sqc s ASP 374 CO 0.51 -0.06 1.72 0.58 0.68 0.00 0.00 175.17 178.60 3sqc h VAL 375 N 3.82 1.13 -0.14 2.11 2.07 -0.66 -1.67 116.25 122.91 3sqc h VAL 375 Ca -0.42 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 66.80 3sqc h VAL 375 Cb 1.19 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 31.72 3sqc h VAL 375 CO 0.45 0.13 -0.37 0.00 0.02 0.00 0.00 177.57 177.80 3sqc h ASP 377 N -0.44 -0.04 -0.36 0.00 3.32 -1.83 -2.15 116.42 114.91 3sqc h ASP 377 Ca 0.09 -0.06 0.07 0.00 0.02 0.00 0.00 57.03 57.14 3sqc h ASP 377 Cb 0.59 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.09 3sqc h ASP 377 CO -0.38 0.04 -0.04 0.74 -1.72 0.00 0.00 179.24 177.88 3sqc h THR 378 N -0.11 0.69 -0.38 0.35 2.02 -1.01 0.62 112.91 115.09 3sqc h THR 378 Ca -0.00 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.18 3sqc h THR 378 Cb 0.10 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 3sqc h THR 378 CO 0.01 0.01 0.21 0.00 0.37 0.00 0.00 175.52 176.11 3sqc h ALA 379 N 1.34 0.47 -0.14 6.16 0.00 -0.42 -1.21 119.26 125.46 3sqc h ALA 379 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3sqc h ALA 379 Cb 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3sqc h ALA 379 CO -0.33 -0.15 0.03 0.28 0.00 0.00 0.00 179.25 179.08 3sqc h VAL 380 N 0.42 1.21 0.02 0.00 2.07 -0.90 -2.37 116.25 116.70 3sqc h VAL 380 Ca 0.15 -0.68 0.02 0.00 0.82 0.00 0.00 66.70 67.02 3sqc h VAL 380 Cb 0.04 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3sqc h VAL 380 CO -0.09 0.20 -0.14 0.58 0.02 0.00 0.00 177.57 178.15 3sqc h VAL 381 N 0.02 0.67 -0.28 2.57 2.07 -0.71 0.39 116.25 120.97 3sqc h VAL 381 Ca 0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.59 3sqc h VAL 381 Cb 0.29 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3sqc h VAL 381 CO 0.00 0.00 0.12 0.58 0.02 0.00 0.00 177.57 178.29 3sqc h VAL 382 N -0.24 0.96 -0.12 2.57 2.07 -1.25 0.12 116.25 120.36 3sqc h VAL 382 Ca 0.04 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.50 3sqc h VAL 382 Cb 0.29 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3sqc h VAL 382 CO -0.12 0.05 -0.07 -0.25 0.02 0.00 0.00 177.57 177.20 3sqc h TRP 383 N 0.27 -0.17 -0.47 1.57 7.01 -1.09 -0.04 115.95 123.02 3sqc h TRP 383 Ca 0.12 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.15 3sqc h TRP 383 Cb 0.06 0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.19 3sqc h TRP 383 CO -0.11 -0.11 0.31 0.00 -2.79 0.00 0.00 178.44 175.74 3sqc h ALA 384 N 1.04 1.69 -0.36 2.65 0.00 0.29 -1.76 119.26 122.80 3sqc h ALA 384 Ca 0.07 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3sqc h ALA 384 Cb 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3sqc h ALA 384 CO -0.16 0.28 -0.15 -0.07 0.00 0.00 0.00 179.25 179.15 3sqc h LEU 385 N 0.61 0.76 -2.04 0.00 3.38 0.22 -3.00 115.31 115.24 3sqc h LEU 385 Ca 0.18 -0.39 0.11 0.00 0.09 0.00 0.00 57.88 57.87 3sqc h LEU 385 Cb -0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3sqc h LEU 385 CO -0.04 0.98 0.37 -1.13 0.09 0.00 0.00 178.44 178.71 3sqc h ASN 386 N 0.53 0.00 0.66 -0.43 -1.24 -0.13 0.11 115.58 115.08 3sqc h ASN 386 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.09 3sqc h ASN 386 Cb 0.68 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.73 3sqc h ASN 386 CO 0.05 0.00 -0.43 0.35 -1.29 0.00 0.00 177.43 176.10 3sqc n THR 387 N -3.88 0.07 -2.69 -3.57 -2.24 -1.10 -4.94 114.28 95.93 3sqc n THR 387 Ca 0.07 -0.06 -0.22 0.00 -2.27 0.00 0.00 64.05 61.57 3sqc n THR 387 Cb 0.55 0.04 0.03 0.00 -2.10 0.00 0.00 70.33 68.85 3sqc n THR 387 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3sqc s LEU 388 N -3.25 3.34 -0.42 3.22 1.43 0.37 -4.62 118.68 118.75 3sqc s LEU 388 Ca 0.11 0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 3sqc s LEU 388 Cb 0.17 -2.94 0.14 0.00 0.03 0.00 0.00 46.19 43.58 3sqc s LEU 388 CO 0.67 -1.06 0.23 -0.60 0.23 0.00 0.00 176.35 175.82 3sqc s ARG 389 N -4.74 1.11 0.21 1.70 6.06 -0.74 -4.97 118.95 117.57 3sqc s ARG 389 Ca 0.55 -1.85 -0.02 0.00 -2.50 0.00 0.00 55.73 51.92 3sqc s ARG 389 Cb -0.10 -2.08 -0.05 0.00 0.06 0.00 0.00 34.95 32.78 3sqc s ARG 389 CO 0.39 -1.18 0.42 -0.51 -2.50 0.00 0.00 175.30 171.92 3sqc s LEU 390 N 0.52 4.20 0.06 -0.88 1.43 -1.26 -4.37 118.68 118.37 3sqc s LEU 390 Ca 0.18 0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 53.61 3sqc s LEU 390 Cb -0.24 -3.26 -0.06 0.00 0.03 0.00 0.00 46.19 42.67 3sqc s LEU 390 CO 0.00 -0.06 1.26 -0.65 0.23 0.00 0.00 176.35 177.13 3sqc h PRO 391 N 2.07 -0.25 -4.18 1.29 0.11 -2.00 -3.29 132.00 125.75 3sqc h PRO 391 Ca -0.48 0.02 -0.76 0.00 0.11 0.00 0.00 66.00 64.89 3sqc h PRO 391 Cb 1.19 0.06 -0.23 0.00 0.11 0.00 0.00 31.00 32.12 3sqc h PRO 391 CO 0.68 -0.16 0.63 0.16 -0.21 0.00 0.00 178.00 179.10 3sqc s ASP 392 N -3.68 6.99 0.00 -2.05 -4.77 -1.26 -4.83 116.67 107.07 3sqc s ASP 392 Ca -0.07 -2.93 0.02 0.00 -3.30 0.00 0.00 52.55 46.28 3sqc s ASP 392 Cb 0.03 -2.29 0.14 0.00 -1.09 0.00 0.00 42.92 39.72 3sqc s ASP 392 CO 0.29 -0.61 0.66 -1.84 0.70 0.00 0.00 175.17 174.36 3sqc n GLU 393 N 4.43 0.54 -0.03 2.11 -0.00 -1.24 -2.23 120.64 124.21 3sqc n GLU 393 Ca 0.24 0.00 -0.13 0.00 -0.00 0.00 0.00 57.16 57.27 3sqc n GLU 393 Cb 0.44 -1.07 -0.11 0.00 -0.00 0.00 0.00 31.44 30.70 3sqc n GLU 393 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3sqc h ARG 394 N 0.00 -0.01 0.00 3.44 9.65 -1.93 -0.64 114.38 124.89 3sqc h ARG 394 Ca 0.00 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.78 3sqc h ARG 394 Cb 0.00 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 3sqc h ARG 394 CO 0.00 0.67 -0.47 -0.09 2.80 0.00 0.00 179.97 182.88 3sqc h ARG 395 N -0.70 0.00 -0.15 0.20 2.43 -1.87 -1.81 114.38 112.47 3sqc h ARG 395 Ca -0.00 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.96 3sqc h ARG 395 Cb 0.68 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.24 3sqc h ARG 395 CO 0.00 0.47 -0.70 -0.09 -1.51 0.00 0.00 179.97 178.14 3sqc h ARG 396 N 0.00 0.75 -0.28 0.20 2.43 -1.56 0.36 114.38 116.27 3sqc h ARG 396 Ca -0.00 -0.60 -0.05 0.00 -0.81 0.00 0.00 59.98 58.52 3sqc h ARG 396 Cb 1.22 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 3sqc h ARG 396 CO 0.06 1.21 -0.01 -0.09 -1.51 0.00 0.00 179.97 179.63 3sqc h ARG 397 N 0.46 0.50 0.45 0.20 9.65 -1.07 -2.30 114.38 122.27 3sqc h ARG 397 Ca -0.04 -0.16 -0.02 0.00 -1.10 0.00 0.00 59.98 58.65 3sqc h ARG 397 Cb 1.34 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.88 3sqc h ARG 397 CO 0.15 0.66 -0.23 0.22 2.80 0.00 0.00 179.97 183.57 3sqc h ASP 398 N 0.28 -0.54 -0.64 -3.80 3.58 -1.33 -2.02 116.42 111.95 3sqc h ASP 398 Ca 0.08 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.59 3sqc h ASP 398 Cb 0.44 0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.59 3sqc h ASP 398 CO 0.02 -0.38 0.37 0.00 -2.88 0.00 0.00 179.24 176.36 3sqc h ALA 399 N -0.07 0.84 -0.08 -0.78 0.00 -0.93 -1.39 119.26 116.84 3sqc h ALA 399 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3sqc h ALA 399 Cb 0.48 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3sqc h ALA 399 CO 0.09 0.07 0.05 0.52 0.00 0.00 0.00 179.25 179.98 3sqc h MET 400 N 0.70 0.11 -0.62 0.00 2.86 -1.30 0.02 114.93 116.68 3sqc h MET 400 Ca 0.27 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.93 3sqc h MET 400 Cb 0.12 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 3sqc h MET 400 CO -0.15 0.09 0.38 1.79 1.06 0.00 0.00 176.91 180.09 3sqc h THR 401 N 0.09 1.08 -0.41 2.22 1.35 -1.02 0.37 112.91 116.58 3sqc h THR 401 Ca 0.03 -0.26 -0.02 0.00 -0.55 0.00 0.00 66.41 65.61 3sqc h THR 401 Cb 0.01 0.26 -0.02 0.00 -1.73 0.00 0.00 68.15 66.67 3sqc h THR 401 CO -0.01 0.14 0.18 0.11 -0.25 0.00 0.00 175.52 175.69 3sqc h LYS 402 N 0.76 0.60 0.03 4.72 1.57 -0.96 0.49 116.57 123.78 3sqc h LYS 402 Ca 0.25 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3sqc h LYS 402 Cb 0.02 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3sqc h LYS 402 CO -0.10 0.55 -0.02 0.78 -0.57 0.00 0.00 179.45 180.09 3sqc h GLY 403 N 0.52 -0.05 0.21 3.86 0.00 -0.64 -1.16 103.07 105.82 3sqc h GLY 403 Ca 0.14 0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.52 3sqc h GLY 403 CO -0.01 -0.02 -0.34 -2.75 0.00 0.00 0.00 176.54 173.42 3sqc h PHE 404 N -0.22 -0.95 -0.61 5.60 3.04 -0.08 -0.69 116.94 123.03 3sqc h PHE 404 Ca -0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3sqc h PHE 404 Cb 0.21 0.43 -0.03 0.00 2.56 0.00 0.00 35.95 39.11 3sqc h PHE 404 CO -0.02 -0.43 0.39 0.00 -2.02 0.00 0.00 178.31 176.24 3sqc h ARG 405 N -0.46 0.81 -0.41 1.11 3.08 -0.87 -1.52 114.38 116.11 3sqc h ARG 405 Ca 0.07 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3sqc h ARG 405 Cb 0.57 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3sqc h ARG 405 CO -0.31 0.55 0.02 2.35 -1.07 0.00 0.00 179.97 181.51 3sqc h TRP 406 N 0.83 0.76 -0.45 3.04 7.01 -0.47 -1.44 115.95 125.23 3sqc h TRP 406 Ca 0.22 -0.12 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 3sqc h TRP 406 Cb -0.07 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 26.76 3sqc h TRP 406 CO 0.00 0.76 0.28 0.82 -2.79 0.00 0.00 178.44 177.51 3sqc h ILE 407 N 0.54 1.14 -0.15 2.65 2.04 -0.58 -1.60 117.51 121.54 3sqc h ILE 407 Ca 0.12 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.70 3sqc h ILE 407 Cb 0.44 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3sqc h ILE 407 CO 0.02 0.14 0.04 0.58 0.00 0.00 0.00 178.15 178.92 3sqc h VAL 408 N 0.60 0.95 0.00 1.67 2.07 -1.15 -0.85 116.25 119.55 3sqc h VAL 408 Ca 0.16 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.65 3sqc h VAL 408 Cb -0.02 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3sqc h VAL 408 CO -0.03 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.19 3sqc n GLY 409 N -1.15 -0.90 0.15 2.17 0.00 -0.55 -2.18 105.19 102.72 3sqc n GLY 409 Ca -0.04 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.05 3sqc n GLY 409 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3sqc n MET 410 N -1.47 0.42 -1.72 1.61 2.00 -0.34 -4.95 117.12 112.68 3sqc n MET 410 Ca 0.04 -0.29 -0.42 0.00 0.00 0.00 0.00 57.70 57.02 3sqc n MET 410 Cb 0.14 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 31.87 3sqc n MET 410 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 3sqc n GLN 411 N -1.03 2.19 -2.61 0.03 7.27 -0.93 -4.66 117.38 117.64 3sqc n GLN 411 Ca 0.08 0.77 -0.23 0.00 0.07 0.00 0.00 57.00 57.69 3sqc n GLN 411 Cb 0.36 -2.42 0.08 0.00 2.41 0.00 0.00 30.24 30.67 3sqc n GLN 411 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3sqc s SER 412 N -0.34 4.70 0.15 1.69 0.01 -0.76 -4.89 113.70 114.26 3sqc s SER 412 Ca 0.57 -0.24 -0.16 0.00 1.31 0.00 0.00 55.95 57.42 3sqc s SER 412 Cb -0.53 -0.32 0.06 0.00 0.21 0.00 0.00 66.02 65.45 3sqc s SER 412 CO 0.61 -1.59 1.73 0.28 0.41 0.00 0.00 173.24 174.68 3sqc h SER 413 N -0.30 0.04 0.26 2.44 0.02 -1.94 -2.75 113.55 111.31 3sqc h SER 413 Ca -0.38 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3sqc h SER 413 Cb 1.28 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.88 3sqc h SER 413 CO 0.45 0.06 0.00 -0.46 -1.14 0.00 0.00 176.83 175.74 3sqc n ASN 414 N -5.08 0.00 0.00 3.07 0.23 -1.26 -4.86 115.26 107.36 3sqc n ASN 414 Ca 0.01 0.19 0.00 0.00 -0.53 0.00 0.00 54.58 54.25 3sqc n ASN 414 Cb 0.15 -0.33 0.00 0.00 -2.08 0.00 0.00 39.78 37.52 3sqc n ASN 414 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3sqc n GLY 415 N -0.26 3.20 0.00 4.83 0.00 -1.04 -4.54 105.19 107.38 3sqc n GLY 415 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3sqc n GLY 415 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sqc n GLY 416 N -1.54 0.90 3.02 -0.02 0.00 -1.26 -3.57 105.19 102.72 3sqc n GLY 416 Ca 0.00 -1.93 -0.14 0.00 0.00 0.00 0.00 46.02 43.95 3sqc n GLY 416 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3sqc s TRP 417 N 0.77 0.58 0.57 1.61 0.51 -1.26 -1.83 118.94 119.88 3sqc s TRP 417 Ca 0.00 -0.36 0.09 0.00 -2.12 0.00 0.00 56.10 53.72 3sqc s TRP 417 Cb 0.00 -0.35 0.10 0.00 -0.81 0.00 0.00 33.47 32.40 3sqc s TRP 417 CO 0.00 -0.06 0.79 0.41 -0.51 0.00 0.00 176.95 177.58 3sqc n GLY 418 N 1.98 1.94 0.08 0.98 0.00 -1.26 -0.76 105.19 108.16 3sqc n GLY 418 Ca -0.19 -2.22 -0.09 0.00 0.00 0.00 0.00 46.02 43.52 3sqc n GLY 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3sqc h ALA 419 N 0.11 -0.07 0.00 4.61 0.00 -1.84 -3.41 119.26 118.66 3sqc h ALA 419 Ca -0.27 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 3sqc h ALA 419 Cb 1.22 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3sqc h ALA 419 CO 0.38 -0.09 -1.50 0.66 0.00 0.00 0.00 179.25 178.70 3sqc n TYR 420 N -4.76 0.00 -4.22 0.00 4.01 -1.26 0.01 117.16 110.94 3sqc n TYR 420 Ca -0.06 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.43 3sqc n TYR 420 Cb 0.27 -0.34 -0.08 0.00 -0.31 0.00 0.00 39.34 38.87 3sqc n TYR 420 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3sqc s ASP 421 N -4.63 4.32 -0.15 7.72 1.01 -1.26 -4.74 116.67 118.94 3sqc s ASP 421 Ca -0.10 -1.13 -0.06 0.00 0.71 0.00 0.00 52.55 51.96 3sqc s ASP 421 Cb 0.03 -0.47 -0.04 0.00 1.01 0.00 0.00 42.92 43.45 3sqc s ASP 421 CO 0.22 -0.52 0.07 -0.69 0.21 0.00 0.00 175.17 174.46 3sqc s VAL 422 N -2.62 4.84 -1.61 -1.27 1.01 -1.26 -4.23 120.40 115.27 3sqc s VAL 422 Ca 0.40 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.27 3sqc s VAL 422 Cb 0.05 -3.14 0.08 0.00 0.00 0.00 0.00 36.38 33.36 3sqc s VAL 422 CO 0.22 0.52 0.39 0.47 0.00 0.00 0.00 175.10 176.70 3sqc n ASP 423 N 2.98 -0.82 -3.57 3.32 8.00 -1.26 -4.82 116.55 120.38 3sqc n ASP 423 Ca -0.18 -1.14 -0.41 0.00 0.71 0.00 0.00 54.79 53.78 3sqc n ASP 423 Cb 0.53 -2.25 -0.01 0.00 -0.02 0.00 0.00 41.12 39.37 3sqc n ASP 423 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3sqc n ASN 424 N -2.79 7.13 -0.00 -2.24 2.85 -1.25 -4.46 115.26 114.50 3sqc n ASN 424 Ca -0.16 -3.03 0.08 0.00 -0.11 0.00 0.00 54.58 51.36 3sqc n ASN 424 Cb 0.61 -1.44 -0.09 0.00 1.24 0.00 0.00 39.78 40.09 3sqc n ASN 424 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3sqc n THR 425 N 2.61 0.00 -1.71 -0.44 -2.24 -1.26 -2.91 114.28 108.33 3sqc n THR 425 Ca 0.58 -0.15 -0.66 0.00 -2.27 0.00 0.00 64.05 61.55 3sqc n THR 425 Cb 0.28 0.91 -0.10 0.00 -2.10 0.00 0.00 70.33 69.32 3sqc n THR 425 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3sqc n SER 426 N -1.45 1.16 0.10 3.42 2.88 -1.26 -4.83 113.62 113.64 3sqc n SER 426 Ca 0.02 1.16 0.13 0.00 -1.33 0.00 0.00 58.87 58.86 3sqc n SER 426 Cb 0.27 -0.86 0.39 0.00 -0.75 0.00 0.00 64.21 63.25 3sqc n SER 426 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3sqc n ASP 427 N 3.87 0.83 -0.02 -3.46 2.03 -1.26 -4.36 116.55 114.17 3sqc n ASP 427 Ca 0.30 0.55 -0.10 0.00 0.52 0.00 0.00 54.79 56.06 3sqc n ASP 427 Cb -0.06 -0.75 -0.04 0.00 -0.72 0.00 0.00 41.12 39.55 3sqc n ASP 427 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3sqc h LEU 428 N 0.00 -1.09 -1.97 -2.67 -0.00 -1.97 -3.05 115.31 104.56 3sqc h LEU 428 Ca 0.00 0.16 0.12 0.00 -0.00 0.00 0.00 57.88 58.16 3sqc h LEU 428 Cb 0.74 0.47 -0.02 0.00 -0.00 0.00 0.00 40.66 41.85 3sqc h LEU 428 CO 0.00 -0.37 0.31 1.55 -0.00 0.00 0.00 178.44 179.93 3sqc h PRO 429 N -0.39 0.03 0.00 1.13 0.13 -1.92 -2.58 132.00 128.40 3sqc h PRO 429 Ca 0.11 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3sqc h PRO 429 Cb 0.56 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.69 3sqc h PRO 429 CO -0.40 0.02 0.00 0.09 -0.23 0.00 0.00 178.00 177.48 3sqc n ASN 430 N -4.42 0.00 -0.17 1.44 3.02 -1.15 -2.54 115.26 111.44 3sqc n ASN 430 Ca 0.07 0.08 0.07 0.00 -0.03 0.00 0.00 54.58 54.77 3sqc n ASN 430 Cb 0.49 -0.23 -0.04 0.00 -0.61 0.00 0.00 39.78 39.39 3sqc n ASN 430 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3sqc n HIS 431 N -1.23 0.00 -2.22 3.10 8.25 -0.97 -1.67 115.22 120.47 3sqc n HIS 431 Ca 0.04 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.11 3sqc n HIS 431 Cb 0.06 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 3sqc n HIS 431 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3sqc s ILE 432 N -2.00 2.96 0.52 1.59 1.01 -1.05 -4.29 121.20 119.94 3sqc s ILE 432 Ca 0.09 0.92 0.26 0.00 0.00 0.00 0.00 60.65 61.92 3sqc s ILE 432 Cb 0.11 -3.57 0.43 0.00 0.01 0.00 0.00 42.46 39.43 3sqc s ILE 432 CO 0.45 0.19 1.94 -0.65 0.00 0.00 0.00 174.94 176.87 3sqc h PRO 433 N 3.24 0.07 -0.10 2.79 0.11 -1.92 -2.11 132.00 134.08 3sqc h PRO 433 Ca -0.48 -0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.42 3sqc h PRO 433 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3sqc h PRO 433 CO 0.65 0.04 -0.74 0.35 -0.21 0.00 0.00 178.00 178.09 3sqc h PHE 434 N 0.07 0.73 -0.44 0.65 3.57 -1.90 -3.40 116.94 116.21 3sqc h PHE 434 Ca 0.34 -0.32 -0.71 0.00 3.53 0.00 0.00 57.97 60.81 3sqc h PHE 434 Cb 1.27 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.83 3sqc h PHE 434 CO -0.00 1.10 2.74 0.00 -2.23 0.00 0.00 178.31 179.92 3sqc n ASP 436 N 6.25 2.86 -3.91 0.00 5.75 -1.26 -1.94 116.55 124.30 3sqc n ASP 436 Ca 0.49 -1.87 -0.28 0.00 -0.01 0.00 0.00 54.79 53.13 3sqc n ASP 436 Cb 0.40 -0.20 -0.17 0.00 -1.03 0.00 0.00 41.12 40.12 3sqc n ASP 436 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3sqc s PHE 437 N -1.06 1.62 0.00 2.11 5.36 -1.26 -4.73 117.98 120.02 3sqc s PHE 437 Ca 0.25 -0.91 0.00 0.00 -0.96 0.00 0.00 56.93 55.32 3sqc s PHE 437 Cb 0.14 -1.29 0.00 0.00 -0.34 0.00 0.00 43.02 41.53 3sqc s PHE 437 CO 0.19 -0.56 0.00 0.41 -1.46 0.00 0.00 175.22 173.80 3sqc n GLY 438 N 4.90 0.00 3.76 13.12 0.00 -1.26 -4.79 105.19 120.92 3sqc n GLY 438 Ca -0.13 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 3sqc n GLY 438 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3sqc s GLU 439 N 0.00 4.62 -0.00 1.61 0.41 -1.26 -4.91 118.70 119.17 3sqc s GLU 439 Ca 0.00 1.68 0.03 0.00 -0.41 0.00 0.00 54.97 56.28 3sqc s GLU 439 Cb 0.00 -3.11 -0.05 0.00 -1.78 0.00 0.00 34.13 29.19 3sqc s GLU 439 CO 0.00 0.24 0.10 0.28 -0.49 0.00 0.00 175.26 175.39 3sqc n VAL 440 N 1.07 0.00 -4.53 2.63 0.31 -1.26 -4.90 118.33 111.65 3sqc n VAL 440 Ca -0.00 -0.22 -0.26 0.00 -0.01 0.00 0.00 64.34 63.85 3sqc n VAL 440 Cb 0.46 0.67 -0.10 0.00 -0.91 0.00 0.00 33.84 33.95 3sqc n VAL 440 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3sqc s THR 441 N -1.84 2.20 -0.65 2.52 -4.23 -1.26 -0.27 115.64 112.10 3sqc s THR 441 Ca -0.00 -2.21 0.06 0.00 -1.18 0.00 0.00 61.69 58.36 3sqc s THR 441 Cb 0.02 -2.62 0.22 0.00 1.34 0.00 0.00 72.50 71.46 3sqc s THR 441 CO 0.14 -0.22 0.64 -0.67 -0.54 0.00 0.00 174.62 173.97 3sqc n ASP 442 N -0.77 3.27 -4.90 3.99 2.03 -1.17 -4.68 116.55 114.32 3sqc n ASP 442 Ca -0.05 -3.31 -0.28 0.00 0.52 0.00 0.00 54.79 51.66 3sqc n ASP 442 Cb 0.63 -0.70 0.06 0.00 -0.72 0.00 0.00 41.12 40.39 3sqc n ASP 442 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3sqc s PRO 443 N -2.02 2.56 0.82 -0.67 0.04 -1.15 -3.88 135.00 130.71 3sqc s PRO 443 Ca 0.34 0.18 -0.11 0.00 0.04 0.00 0.00 61.00 61.44 3sqc s PRO 443 Cb 0.08 -2.08 0.09 0.00 0.04 0.00 0.00 34.50 32.64 3sqc s PRO 443 CO -0.08 -1.13 1.14 -2.14 0.04 0.00 0.00 177.00 174.83 3sqc s PRO 444 N -5.32 1.67 0.04 0.56 0.02 -1.26 -4.48 135.00 126.24 3sqc s PRO 444 Ca 0.58 1.49 -0.06 0.00 0.02 0.00 0.00 61.00 63.03 3sqc s PRO 444 Cb -0.11 -1.81 -0.01 0.00 0.02 0.00 0.00 34.50 32.60 3sqc s PRO 444 CO 0.49 -2.13 0.11 -1.54 -0.33 0.00 0.00 177.00 173.59 3sqc s SER 445 N -2.72 0.17 0.19 2.53 1.04 0.06 -4.88 113.70 110.09 3sqc s SER 445 Ca 0.67 -0.55 -0.12 0.00 0.48 0.00 0.00 55.95 56.43 3sqc s SER 445 Cb -0.23 0.24 0.18 0.00 0.10 0.00 0.00 66.02 66.32 3sqc s SER 445 CO 0.54 -0.54 1.75 -0.33 0.98 0.00 0.00 173.24 175.64 3sqc h GLU 446 N 3.52 0.38 -0.06 4.02 3.07 -1.87 -2.70 114.58 120.93 3sqc h GLU 446 Ca -0.33 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.50 3sqc h GLU 446 Cb 1.18 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 29.01 3sqc h GLU 446 CO 0.52 0.25 -0.00 0.38 -1.40 0.00 0.00 179.01 178.75 3sqc h ASP 447 N 0.39 0.11 -0.30 1.42 2.03 -1.91 0.26 116.42 118.42 3sqc h ASP 447 Ca 0.25 -0.31 0.05 0.00 -0.73 0.00 0.00 57.03 56.28 3sqc h ASP 447 Cb 0.25 -0.03 -0.04 0.00 -0.83 0.00 0.00 39.33 38.68 3sqc h ASP 447 CO -0.24 0.40 0.04 0.58 -1.03 0.00 0.00 179.24 178.99 3sqc h VAL 448 N -0.18 0.82 -0.81 4.15 2.07 -1.85 -0.66 116.25 119.80 3sqc h VAL 448 Ca 0.02 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.55 3sqc h VAL 448 Cb 0.34 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 3sqc h VAL 448 CO 0.00 0.02 0.50 0.74 0.02 0.00 0.00 177.57 178.86 3sqc h THR 449 N 0.14 1.04 -0.85 2.57 2.02 -1.42 -1.13 112.91 115.28 3sqc h THR 449 Ca 0.14 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 3sqc h THR 449 Cb 0.17 0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 66.58 3sqc h THR 449 CO -0.21 0.17 0.40 0.00 0.37 0.00 0.00 175.52 176.25 3sqc h ALA 450 N 1.38 1.11 -0.25 6.16 0.00 -0.11 -0.16 119.26 127.40 3sqc h ALA 450 Ca 0.35 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3sqc h ALA 450 Cb 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3sqc h ALA 450 CO -0.16 0.67 -0.32 0.45 0.00 0.00 0.00 179.25 179.89 3sqc h HIS 451 N 1.21 0.59 -0.10 0.00 3.86 -0.33 -0.52 115.15 119.86 3sqc h HIS 451 Ca 0.29 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 3sqc h HIS 451 Cb 0.13 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 3sqc h HIS 451 CO 0.02 0.77 -0.01 0.28 0.86 0.00 0.00 177.93 179.85 3sqc h VAL 452 N 0.44 1.27 -0.97 2.45 2.07 -0.80 -2.40 116.25 118.32 3sqc h VAL 452 Ca 0.05 -0.88 0.07 0.00 0.82 0.00 0.00 66.70 66.76 3sqc h VAL 452 Cb 0.77 1.66 -0.07 0.00 -1.52 0.00 0.00 31.29 32.13 3sqc h VAL 452 CO 0.06 0.25 0.62 -0.07 0.02 0.00 0.00 177.57 178.45 3sqc h LEU 453 N -0.12 0.99 -0.89 2.57 4.07 -0.76 -0.18 115.31 120.99 3sqc h LEU 453 Ca 0.03 0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.93 3sqc h LEU 453 Cb 0.39 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 3sqc h LEU 453 CO 0.01 0.63 -0.33 -0.08 -1.08 0.00 0.00 178.44 177.59 3sqc h GLU 454 N 1.12 0.00 0.21 1.13 4.81 -1.03 0.11 114.58 120.93 3sqc h GLU 454 Ca 0.42 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.64 3sqc h GLU 454 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3sqc h GLU 454 CO -0.17 0.33 -0.10 0.00 -0.73 0.00 0.00 179.01 178.33 3sqc h PHE 456 N -0.70 1.18 -0.39 0.00 0.04 -1.24 -2.40 116.94 113.43 3sqc h PHE 456 Ca -0.03 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.85 3sqc h PHE 456 Cb 0.49 -0.40 -0.08 0.00 2.20 0.00 0.00 35.95 38.16 3sqc h PHE 456 CO 0.05 0.73 -0.15 0.78 -0.60 0.00 0.00 178.31 179.11 3sqc h GLY 457 N 1.25 0.18 1.77 -1.45 0.00 -0.83 0.07 103.07 104.07 3sqc h GLY 457 Ca 0.35 0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.90 3sqc h GLY 457 CO -0.09 -0.18 0.09 1.48 0.00 0.00 0.00 176.54 177.85 3sqc h SER 458 N -0.07 0.00 -0.12 0.19 4.64 -0.86 -0.80 113.55 116.53 3sqc h SER 458 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3sqc h SER 458 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3sqc h SER 458 CO -0.44 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.01 3sqc n PHE 459 N -4.04 0.31 0.00 4.77 3.72 0.00 -4.90 117.46 117.32 3sqc n PHE 459 Ca -0.01 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3sqc n PHE 459 Cb 0.19 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 3sqc n PHE 459 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3sqc n GLY 460 N 0.39 2.85 3.77 1.37 0.00 -0.31 -5.02 105.19 108.25 3sqc n GLY 460 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3sqc n GLY 460 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3sqc s TYR 461 N -2.79 2.65 0.00 1.61 1.51 -1.18 -5.03 117.35 114.13 3sqc s TYR 461 Ca 0.00 1.55 0.00 0.00 -1.01 0.00 0.00 57.07 57.61 3sqc s TYR 461 Cb 0.00 -3.14 0.00 0.00 -0.11 0.00 0.00 41.96 38.71 3sqc s TYR 461 CO 0.00 -1.65 0.00 -0.40 -1.11 0.00 0.00 175.55 172.39 3sqc n ASP 462 N -2.50 0.00 0.33 2.29 5.68 -1.26 -4.47 116.55 116.62 3sqc n ASP 462 Ca 0.10 -0.36 0.21 0.00 -0.50 0.00 0.00 54.79 54.24 3sqc n ASP 462 Cb 0.52 0.00 1.15 0.00 -1.14 0.00 0.00 41.12 41.65 3sqc n ASP 462 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 3sqc h ASP 463 N 0.00 0.00 0.09 -1.12 3.58 -1.89 -2.40 116.42 114.68 3sqc h ASP 463 Ca 0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 3sqc h ASP 463 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 3sqc h ASP 463 CO 0.00 0.00 -0.27 0.00 -2.88 0.00 0.00 179.24 176.09 3sqc h ALA 464 N 2.00 1.25 -2.47 -0.78 0.00 -1.96 -3.38 119.26 113.92 3sqc h ALA 464 Ca -0.00 -0.32 -0.54 0.00 0.00 0.00 0.00 54.91 54.05 3sqc h ALA 464 Cb 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.70 3sqc h ALA 464 CO 0.00 0.50 0.65 -0.46 0.00 0.00 0.00 179.25 179.94 3sqc s TRP 465 N -4.43 3.29 0.28 0.00 -0.00 -0.90 -4.94 118.94 112.23 3sqc s TRP 465 Ca -0.05 1.14 0.01 0.00 -0.00 0.00 0.00 56.10 57.20 3sqc s TRP 465 Cb 0.14 -3.52 0.57 0.00 -0.00 0.00 0.00 33.47 30.67 3sqc s TRP 465 CO 0.76 -1.70 1.81 0.87 -0.00 0.00 0.00 176.95 178.69 3sqc h LYS 466 N 7.00 0.87 -0.02 5.86 1.57 -1.88 -1.89 116.57 128.07 3sqc h LYS 466 Ca -0.41 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.35 3sqc h LYS 466 Cb 1.20 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.28 3sqc h LYS 466 CO 0.84 0.57 -0.22 0.28 -0.57 0.00 0.00 179.45 180.36 3sqc h VAL 467 N 0.89 0.49 -0.06 0.50 2.07 -1.94 -1.78 116.25 116.42 3sqc h VAL 467 Ca 0.50 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 68.02 3sqc h VAL 467 Cb 0.57 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3sqc h VAL 467 CO -0.30 0.00 0.04 0.40 0.02 0.00 0.00 177.57 177.73 3sqc h ILE 468 N -0.33 1.05 -0.48 4.57 2.04 -1.74 -2.61 117.51 120.00 3sqc h ILE 468 Ca 0.07 -0.13 0.09 0.00 1.00 0.00 0.00 64.86 65.89 3sqc h ILE 468 Cb 0.42 1.03 -0.08 0.00 -0.74 0.00 0.00 36.82 37.45 3sqc h ILE 468 CO -0.21 0.04 -0.01 -0.09 0.00 0.00 0.00 178.15 177.88 3sqc h ARG 469 N 0.04 0.10 -0.93 2.37 2.43 -1.11 0.12 114.38 117.41 3sqc h ARG 469 Ca 0.02 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3sqc h ARG 469 Cb 0.04 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.51 3sqc h ARG 469 CO -0.00 0.07 0.60 0.00 -1.51 0.00 0.00 179.97 179.13 3sqc h ARG 470 N 0.11 1.07 -0.18 0.20 3.08 -1.21 0.18 114.38 117.62 3sqc h ARG 470 Ca 0.24 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 3sqc h ARG 470 Cb 0.37 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3sqc h ARG 470 CO -0.41 0.71 -0.01 0.00 -1.07 0.00 0.00 179.97 179.19 3sqc h ALA 471 N 1.48 0.24 -0.50 0.04 0.00 -0.73 -2.06 119.26 117.73 3sqc h ALA 471 Ca 0.39 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3sqc h ALA 471 Cb 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3sqc h ALA 471 CO -0.14 -0.03 0.32 0.28 0.00 0.00 0.00 179.25 179.68 3sqc h VAL 472 N 0.07 1.09 -0.61 0.00 2.07 0.07 -0.47 116.25 118.47 3sqc h VAL 472 Ca 0.05 -0.22 0.10 0.00 0.82 0.00 0.00 66.70 67.45 3sqc h VAL 472 Cb 0.41 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 30.50 3sqc h VAL 472 CO 0.01 0.12 0.20 -0.33 0.02 0.00 0.00 177.57 177.59 3sqc h GLU 473 N 0.64 0.35 -0.39 1.57 4.39 -0.61 -0.39 114.58 120.15 3sqc h GLU 473 Ca 0.19 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.92 3sqc h GLU 473 Cb -0.03 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.50 3sqc h GLU 473 CO -0.07 0.23 0.13 -0.92 -1.16 0.00 0.00 179.01 177.22 3sqc h TYR 474 N 0.36 0.22 -0.40 4.33 3.20 -0.53 -2.61 116.97 121.54 3sqc h TYR 474 Ca 0.31 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.17 3sqc h TYR 474 Cb 0.41 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 3sqc h TYR 474 CO -0.19 0.08 0.12 -0.07 -1.64 0.00 0.00 178.16 176.47 3sqc h LEU 475 N 0.28 0.59 -1.56 2.82 3.38 0.17 -2.42 115.31 118.57 3sqc h LEU 475 Ca 0.18 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3sqc h LEU 475 Cb 0.17 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3sqc h LEU 475 CO -0.19 0.64 0.34 0.11 0.09 0.00 0.00 178.44 179.43 3sqc h LYS 476 N 0.51 0.55 0.00 1.13 1.57 -0.93 -1.72 116.57 117.67 3sqc h LYS 476 Ca 0.13 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.78 3sqc h LYS 476 Cb 0.26 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3sqc h LYS 476 CO -0.00 0.36 -0.48 0.00 -0.57 0.00 0.00 179.45 178.75 3sqc h ARG 477 N 0.56 0.00 0.00 3.15 3.08 -1.23 -3.23 114.38 116.72 3sqc h ARG 477 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3sqc h ARG 477 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3sqc h ARG 477 CO -0.05 0.48 -0.46 0.39 -1.07 0.00 0.00 179.97 179.26 3sqc n GLU 478 N -3.26 0.18 -1.69 0.04 -0.58 -0.71 -4.92 120.64 109.71 3sqc n GLU 478 Ca 0.02 0.07 -0.43 0.00 -0.42 0.00 0.00 57.16 56.39 3sqc n GLU 478 Cb 0.71 -1.63 -0.03 0.00 -0.57 0.00 0.00 31.44 29.91 3sqc n GLU 478 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 3sqc n GLN 479 N -1.90 2.63 -2.02 3.49 7.27 -0.85 -4.84 117.38 121.15 3sqc n GLN 479 Ca 0.04 0.95 -0.36 0.00 0.07 0.00 0.00 57.00 57.71 3sqc n GLN 479 Cb 0.40 -2.81 0.03 0.00 2.41 0.00 0.00 30.24 30.27 3sqc n GLN 479 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3sqc s LYS 480 N 1.99 3.05 0.31 3.69 3.01 0.81 -4.88 119.74 127.72 3sqc s LYS 480 Ca 0.80 1.85 0.08 0.00 -1.01 0.00 0.00 55.97 57.68 3sqc s LYS 480 Cb -0.54 -1.99 0.89 0.00 -1.01 0.00 0.00 37.83 35.19 3sqc s LYS 480 CO 0.37 -1.15 1.65 -1.35 0.51 0.00 0.00 175.35 175.38 3sqc h PRO 481 N 1.02 0.24 0.00 -1.68 0.11 -1.93 0.70 132.00 130.46 3sqc h PRO 481 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3sqc h PRO 481 Cb 1.29 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3sqc h PRO 481 CO 0.56 0.16 0.00 -0.40 -0.21 0.00 0.00 178.00 178.11 3sqc n ASP 482 N -5.16 0.00 0.00 -2.05 5.75 -1.26 -4.87 116.55 108.96 3sqc n ASP 482 Ca 0.26 -0.59 0.00 0.00 -0.01 0.00 0.00 54.79 54.46 3sqc n ASP 482 Cb 0.83 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.84 3sqc n ASP 482 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3sqc n GLY 483 N 0.65 0.76 3.99 6.12 0.00 0.24 -4.79 105.19 112.16 3sqc n GLY 483 Ca 0.17 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 3sqc n GLY 483 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3sqc s SER 484 N -2.18 5.49 -0.11 1.61 1.04 -1.22 -3.83 113.70 114.50 3sqc s SER 484 Ca 0.00 -0.53 -0.00 0.00 0.48 0.00 0.00 55.95 55.90 3sqc s SER 484 Cb 0.00 -0.53 0.02 0.00 0.10 0.00 0.00 66.02 65.62 3sqc s SER 484 CO 0.00 -0.81 -0.08 0.26 0.98 0.00 0.00 173.24 173.59 3sqc s TRP 485 N -2.41 1.47 0.29 5.02 0.51 -1.26 -0.13 118.94 122.43 3sqc s TRP 485 Ca 0.54 -0.70 -0.30 0.00 -2.12 0.00 0.00 56.10 53.53 3sqc s TRP 485 Cb -0.08 -1.20 -0.12 0.00 -0.81 0.00 0.00 33.47 31.25 3sqc s TRP 485 CO 0.33 -0.47 1.42 0.34 -0.51 0.00 0.00 176.95 178.06 3sqc n PHE 486 N 4.76 2.43 -3.39 -1.98 7.35 -1.26 -2.57 117.46 122.80 3sqc n PHE 486 Ca -0.14 0.43 -0.43 0.00 -0.76 0.00 0.00 57.45 56.54 3sqc n PHE 486 Cb 0.50 -2.49 -0.09 0.00 0.35 0.00 0.00 39.48 37.76 3sqc n PHE 486 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3sqc s GLY 487 N 0.13 1.98 -0.03 7.13 0.00 -1.22 -4.44 107.32 110.86 3sqc s GLY 487 Ca 0.62 -1.76 -0.20 0.00 0.00 0.00 0.00 44.72 43.38 3sqc s GLY 487 CO 0.54 1.04 0.91 -0.09 0.00 0.00 0.00 173.10 175.51 3sqc h ARG 488 N 8.70 0.36 0.00 2.90 9.65 -1.94 -3.37 114.38 130.68 3sqc h ARG 488 Ca -0.27 -0.62 0.00 0.00 -1.10 0.00 0.00 59.98 57.98 3sqc h ARG 488 Cb 1.11 0.23 0.00 0.00 -1.39 0.00 0.00 29.97 29.93 3sqc h ARG 488 CO 0.79 1.30 -0.98 0.91 2.80 0.00 0.00 179.97 184.79 3sqc n TRP 489 N -4.01 0.00 -4.24 2.20 7.02 -1.26 -4.70 117.44 112.45 3sqc n TRP 489 Ca -0.15 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.12 3sqc n TRP 489 Cb 0.90 -0.11 -0.12 0.00 -2.42 0.00 0.00 31.31 29.57 3sqc n TRP 489 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 3sqc s GLY 490 N -2.75 1.07 -0.65 6.99 0.00 -1.26 -1.84 107.32 108.88 3sqc s GLY 490 Ca 0.02 -1.17 -0.26 0.00 0.00 0.00 0.00 44.72 43.30 3sqc s GLY 490 CO 0.58 -1.20 2.45 -0.62 0.00 0.00 0.00 173.10 174.31 3sqc n VAL 491 N 1.01 -0.06 -0.45 1.40 0.31 -0.69 -4.52 118.33 115.34 3sqc n VAL 491 Ca -0.19 -0.61 0.00 0.00 -0.01 0.00 0.00 64.34 63.53 3sqc n VAL 491 Cb 0.55 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.31 3sqc n VAL 491 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3sqc n ASN 492 N 15.09 -0.11 -0.42 4.52 3.02 -1.26 -3.74 115.26 132.36 3sqc n ASN 492 Ca 0.45 0.00 0.37 0.00 -0.03 0.00 0.00 54.58 55.37 3sqc n ASN 492 Cb 0.42 0.00 0.65 0.00 -0.61 0.00 0.00 39.78 40.24 3sqc n ASN 492 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 3sqc h TYR 493 N 0.00 0.61 -0.20 3.10 0.05 -1.88 0.64 116.97 119.28 3sqc h TYR 493 Ca 0.00 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.67 3sqc h TYR 493 Cb 0.00 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.59 3sqc h TYR 493 CO 0.00 -0.33 -0.47 -0.07 -1.05 0.00 0.00 178.16 176.24 3sqc h LEU 494 N 0.02 0.57 0.64 3.88 3.38 -1.82 0.04 115.31 122.03 3sqc h LEU 494 Ca 0.86 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 58.53 3sqc h LEU 494 Cb 2.61 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 43.21 3sqc h LEU 494 CO -0.56 0.95 -0.31 0.22 0.09 0.00 0.00 178.44 178.84 3sqc h TYR 495 N 0.42 -0.80 0.19 1.13 3.20 0.12 -1.29 116.97 119.94 3sqc h TYR 495 Ca 0.02 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.88 3sqc h TYR 495 Cb 0.98 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.49 3sqc h TYR 495 CO 0.04 -0.50 -0.24 0.78 -1.64 0.00 0.00 178.16 176.61 3sqc h GLY 496 N -1.23 -0.49 0.86 1.82 0.00 -1.17 0.56 103.07 103.42 3sqc h GLY 496 Ca -0.09 0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.55 3sqc h GLY 496 CO 0.14 -0.21 0.63 -0.84 0.00 0.00 0.00 176.54 176.26 3sqc h THR 497 N -0.48 1.15 -0.05 4.70 2.02 -0.70 0.38 112.91 119.93 3sqc h THR 497 Ca 0.01 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 3sqc h THR 497 Cb 0.46 -0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.71 3sqc h THR 497 CO -0.08 0.22 0.02 1.23 0.37 0.00 0.00 175.52 177.28 3sqc h GLY 498 N 1.21 0.08 0.99 2.16 0.00 -0.81 -2.15 103.07 104.54 3sqc h GLY 498 Ca 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.68 3sqc h GLY 498 CO -0.13 0.04 0.02 0.00 0.00 0.00 0.00 176.54 176.46 3sqc h ALA 499 N 0.91 0.04 0.58 3.60 0.00 -0.04 -2.54 119.26 121.80 3sqc h ALA 499 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3sqc h ALA 499 Cb 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3sqc h ALA 499 CO -0.00 -0.46 -0.39 0.28 0.00 0.00 0.00 179.25 178.68 3sqc h VAL 500 N 0.03 0.22 -0.44 0.00 2.07 -0.24 -1.66 116.25 116.23 3sqc h VAL 500 Ca 0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 3sqc h VAL 500 Cb 0.01 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 29.94 3sqc h VAL 500 CO -0.00 0.00 0.12 0.58 0.02 0.00 0.00 177.57 178.29 3sqc h VAL 501 N -0.92 0.81 0.00 2.57 2.07 -1.43 0.46 116.25 119.81 3sqc h VAL 501 Ca -0.07 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 3sqc h VAL 501 Cb 0.76 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3sqc h VAL 501 CO 0.05 0.05 -0.17 0.77 0.02 0.00 0.00 177.57 178.28 3sqc h SER 502 N 0.27 0.00 0.37 0.57 4.64 -1.41 -1.90 113.55 116.08 3sqc h SER 502 Ca 0.21 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.51 3sqc h SER 502 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3sqc h SER 502 CO -0.24 0.17 -0.18 0.00 -0.87 0.00 0.00 176.83 175.71 3sqc h ALA 503 N 1.83 -0.49 -1.01 5.18 0.00 -0.25 -2.76 119.26 121.76 3sqc h ALA 503 Ca -0.00 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 54.96 3sqc h ALA 503 Cb 0.45 0.19 -0.11 0.00 0.00 0.00 0.00 17.79 18.32 3sqc h ALA 503 CO 0.02 -0.51 0.61 -0.07 0.00 0.00 0.00 179.25 179.30 3sqc h LEU 504 N -1.02 0.71 -0.18 0.00 3.38 -0.68 0.19 115.31 117.71 3sqc h LEU 504 Ca -0.05 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3sqc h LEU 504 Cb 0.50 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3sqc h LEU 504 CO 0.08 0.19 0.01 0.50 0.09 0.00 0.00 178.44 179.31 3sqc h LYS 505 N 0.66 0.32 0.00 1.13 3.11 -1.42 -2.46 116.57 117.91 3sqc h LYS 505 Ca 0.61 -0.10 -0.01 0.00 -2.81 0.00 0.00 60.65 58.35 3sqc h LYS 505 Cb 1.09 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 32.28 3sqc h LYS 505 CO -0.41 0.51 -0.03 0.00 -2.81 0.00 0.00 179.45 176.71 3sqc h ALA 506 N 0.80 1.58 -0.52 5.00 0.00 -0.35 -2.34 119.26 123.42 3sqc h ALA 506 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3sqc h ALA 506 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3sqc h ALA 506 CO 0.01 0.04 0.00 1.33 0.00 0.00 0.00 179.25 180.62 3sqc n VAL 507 N -3.96 0.77 -0.01 0.00 0.24 -0.70 -4.59 118.33 110.08 3sqc n VAL 507 Ca -0.03 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 3sqc n VAL 507 Cb 0.11 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.80 3sqc n VAL 507 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3sqc n GLY 508 N 1.29 0.75 3.66 7.63 0.00 -0.88 -2.75 105.19 114.89 3sqc n GLY 508 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3sqc n GLY 508 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3sqc n ILE 509 N -2.00 3.09 -2.76 -0.61 2.08 -0.93 -4.93 119.36 113.31 3sqc n ILE 509 Ca 0.00 -0.35 -0.43 0.00 0.56 0.00 0.00 62.75 62.53 3sqc n ILE 509 Cb 0.00 -1.22 -0.03 0.00 -0.75 0.00 0.00 39.64 37.64 3sqc n ILE 509 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3sqc s ASP 510 N -1.71 6.65 0.12 4.38 2.15 -1.26 -4.69 116.67 122.31 3sqc s ASP 510 Ca 0.76 0.50 0.09 0.00 0.43 0.00 0.00 52.55 54.32 3sqc s ASP 510 Cb -0.34 -2.48 0.47 0.00 -0.30 0.00 0.00 42.92 40.27 3sqc s ASP 510 CO 0.48 -0.98 1.28 0.35 -0.17 0.00 0.00 175.17 176.13 3sqc n THR 511 N 6.23 1.57 0.19 1.71 -2.24 -1.26 -2.06 114.28 118.43 3sqc n THR 511 Ca 0.08 0.56 0.06 0.00 -2.27 0.00 0.00 64.05 62.48 3sqc n THR 511 Cb 0.48 -1.55 0.31 0.00 -2.10 0.00 0.00 70.33 67.48 3sqc n THR 511 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3sqc h ARG 512 N 0.00 0.00 -6.08 -0.78 2.43 -1.90 -3.38 114.38 104.66 3sqc h ARG 512 Ca 0.00 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.58 3sqc h ARG 512 Cb 0.02 0.00 0.18 0.00 -0.42 0.00 0.00 29.97 29.76 3sqc h ARG 512 CO 0.00 0.37 -1.10 0.39 -1.51 0.00 0.00 179.97 178.12 3sqc n GLU 513 N -3.47 0.07 0.15 0.20 -0.58 -0.87 -4.76 120.64 111.38 3sqc n GLU 513 Ca 0.00 0.03 -0.14 0.00 -0.42 0.00 0.00 57.16 56.63 3sqc n GLU 513 Cb 0.53 -1.11 -0.08 0.00 -0.57 0.00 0.00 31.44 30.21 3sqc n GLU 513 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3sqc h PRO 514 N -0.07 -0.32 -0.27 3.49 0.11 -1.92 -2.34 132.00 130.68 3sqc h PRO 514 Ca -0.42 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 3sqc h PRO 514 Cb 1.43 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.60 3sqc h PRO 514 CO 0.41 -0.12 0.13 0.10 -0.21 0.00 0.00 178.00 178.30 3sqc h TYR 515 N -0.47 0.36 -0.10 0.65 -0.00 -1.97 0.63 116.97 116.07 3sqc h TYR 515 Ca -0.03 -0.00 -0.07 0.00 -0.00 0.00 0.00 58.73 58.63 3sqc h TYR 515 Cb 0.35 -0.12 0.00 0.00 -0.00 0.00 0.00 36.73 36.96 3sqc h TYR 515 CO -0.02 0.27 -0.20 0.82 -0.00 0.00 0.00 178.16 179.03 3sqc h ILE 516 N 0.37 1.40 -0.76 -0.90 2.04 -1.87 -2.69 117.51 115.09 3sqc h ILE 516 Ca 0.10 -1.49 0.01 0.00 1.00 0.00 0.00 64.86 64.47 3sqc h ILE 516 Cb 0.05 2.13 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 3sqc h ILE 516 CO -0.01 0.43 0.50 1.56 0.00 0.00 0.00 178.15 180.62 3sqc h GLN 517 N -0.15 1.01 -0.83 2.37 1.08 -1.12 0.17 115.11 117.65 3sqc h GLN 517 Ca 0.00 -0.07 0.08 0.00 -1.45 0.00 0.00 58.65 57.21 3sqc h GLN 517 Cb 0.79 -0.22 -0.05 0.00 -0.05 0.00 0.00 27.48 27.94 3sqc h GLN 517 CO 0.04 0.67 0.54 -0.22 -0.95 0.00 0.00 178.83 178.92 3sqc h LYS 518 N 1.03 0.84 -0.02 1.46 3.64 -0.86 0.28 116.57 122.94 3sqc h LYS 518 Ca 0.28 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.54 3sqc h LYS 518 Cb -0.11 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.53 3sqc h LYS 518 CO -0.06 0.56 -0.26 0.00 -2.27 0.00 0.00 179.45 177.42 3sqc h ALA 519 N 1.56 0.06 -0.82 5.00 0.00 -1.00 -2.74 119.26 121.32 3sqc h ALA 519 Ca 0.36 -0.45 0.12 0.00 0.00 0.00 0.00 54.91 54.94 3sqc h ALA 519 Cb 0.30 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 3sqc h ALA 519 CO -0.14 0.10 0.43 -0.07 0.00 0.00 0.00 179.25 179.57 3sqc h LEU 520 N -0.40 0.57 -0.36 0.00 4.07 0.05 -0.68 115.31 118.56 3sqc h LEU 520 Ca -0.03 0.07 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 3sqc h LEU 520 Cb 0.97 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.67 3sqc h LEU 520 CO 0.05 0.29 0.21 0.44 -1.08 0.00 0.00 178.44 178.35 3sqc h ASP 521 N 0.68 0.43 -0.88 -0.43 3.32 -0.51 -2.88 116.42 116.16 3sqc h ASP 521 Ca 0.42 -0.07 0.13 0.00 0.02 0.00 0.00 57.03 57.53 3sqc h ASP 521 Cb 0.50 -0.11 -0.09 0.00 0.22 0.00 0.00 39.33 39.85 3sqc h ASP 521 CO -0.31 0.37 0.49 -0.25 -1.72 0.00 0.00 179.24 177.83 3sqc h TRP 522 N 0.46 0.87 -0.12 4.55 7.01 -0.83 -1.53 115.95 126.36 3sqc h TRP 522 Ca 0.13 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.16 3sqc h TRP 522 Cb 0.03 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 26.82 3sqc h TRP 522 CO -0.03 0.28 0.07 0.28 -2.79 0.00 0.00 178.44 176.24 3sqc h VAL 523 N 0.74 1.02 -0.32 2.65 2.07 -1.14 -2.96 116.25 118.30 3sqc h VAL 523 Ca 0.46 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.94 3sqc h VAL 523 Cb 0.56 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3sqc h VAL 523 CO -0.31 0.03 0.22 -0.33 0.02 0.00 0.00 177.57 177.19 3sqc h GLU 524 N 0.15 0.39 0.00 1.57 5.08 -1.18 -2.36 114.58 118.23 3sqc h GLU 524 Ca 0.05 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3sqc h GLU 524 Cb -0.01 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3sqc h GLU 524 CO -0.02 0.26 0.00 1.04 -1.00 0.00 0.00 179.01 179.29 3sqc n GLN 525 N -4.49 0.94 -0.01 2.33 6.02 -0.91 -3.32 117.38 117.93 3sqc n GLN 525 Ca 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.02 3sqc n GLN 525 Cb 0.10 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.87 3sqc n GLN 525 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3sqc n HIS 526 N -1.01 0.02 -1.88 1.08 8.25 -0.89 -5.02 115.22 115.77 3sqc n HIS 526 Ca 0.23 -0.19 -0.42 0.00 -0.26 0.00 0.00 57.72 57.07 3sqc n HIS 526 Cb 0.11 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 3sqc n HIS 526 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3sqc s GLN 527 N -0.45 4.19 0.67 -0.41 0.74 -1.21 -4.68 119.66 118.51 3sqc s GLN 527 Ca 0.02 2.40 -0.12 0.00 0.05 0.00 0.00 55.36 57.71 3sqc s GLN 527 Cb 0.01 -3.46 0.00 0.00 1.10 0.00 0.00 33.01 30.66 3sqc s GLN 527 CO 0.02 -0.72 1.06 -0.80 -0.55 0.00 0.00 175.29 174.30 3sqc s ASN 528 N 2.08 5.39 0.30 6.67 0.01 0.02 -4.93 114.94 124.48 3sqc s ASN 528 Ca 0.74 1.71 0.06 0.00 -0.71 0.00 0.00 52.86 54.66 3sqc s ASN 528 Cb -0.42 -2.51 0.77 0.00 0.41 0.00 0.00 41.25 39.49 3sqc s ASN 528 CO 0.33 -1.44 1.74 1.55 -1.51 0.00 0.00 177.10 177.77 3sqc h PRO 529 N -0.40 0.56 0.00 -0.60 0.13 -1.94 0.82 132.00 130.57 3sqc h PRO 529 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3sqc h PRO 529 Cb 1.22 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3sqc h PRO 529 CO 0.56 0.37 0.00 -0.40 -0.23 0.00 0.00 178.00 178.31 3sqc n ASP 530 N -4.90 0.00 0.00 1.44 5.68 -1.26 -4.84 116.55 112.67 3sqc n ASP 530 Ca 0.24 0.46 0.00 0.00 -0.50 0.00 0.00 54.79 54.98 3sqc n ASP 530 Cb 0.64 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 3sqc n ASP 530 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3sqc n GLY 531 N -0.89 2.71 1.94 6.12 0.00 0.28 -4.59 105.19 110.76 3sqc n GLY 531 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 3sqc n GLY 531 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sqc n GLY 532 N -1.81 1.84 3.37 -0.02 0.00 -1.26 -2.87 105.19 104.44 3sqc n GLY 532 Ca 0.00 -2.16 -0.24 0.00 0.00 0.00 0.00 46.02 43.62 3sqc n GLY 532 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3sqc s TRP 533 N -0.84 2.03 -0.04 1.61 0.51 -1.26 -0.80 118.94 120.15 3sqc s TRP 533 Ca 0.31 -0.42 -0.22 0.00 -2.12 0.00 0.00 56.10 53.65 3sqc s TRP 533 Cb -0.02 -1.01 0.04 0.00 -0.81 0.00 0.00 33.47 31.67 3sqc s TRP 533 CO 0.19 0.40 0.48 0.20 -0.51 0.00 0.00 176.95 177.71 3sqc s GLY 534 N -2.63 -0.35 -0.19 0.98 0.00 -1.25 -1.34 107.32 102.54 3sqc s GLY 534 Ca 0.17 0.80 -0.04 0.00 0.00 0.00 0.00 44.72 45.65 3sqc s GLY 534 CO 0.08 0.52 0.32 1.85 0.00 0.00 0.00 173.10 175.87 3sqc s GLU 535 N -1.22 0.25 0.49 2.90 2.12 -1.25 -2.77 118.70 119.23 3sqc s GLU 535 Ca -0.12 0.62 -0.18 0.00 0.36 0.00 0.00 54.97 55.65 3sqc s GLU 535 Cb -0.03 -0.35 -0.09 0.00 0.26 0.00 0.00 34.13 33.93 3sqc s GLU 535 CO 0.07 -0.47 0.99 0.34 -0.54 0.00 0.00 175.26 175.64 3sqc s ASP 536 N 2.48 6.62 0.02 -1.70 2.15 0.14 -4.86 116.67 121.52 3sqc s ASP 536 Ca 0.05 1.67 0.05 0.00 0.43 0.00 0.00 52.55 54.75 3sqc s ASP 536 Cb -0.14 -2.53 0.22 0.00 -0.30 0.00 0.00 42.92 40.18 3sqc s ASP 536 CO -0.12 -0.59 1.15 0.00 -0.17 0.00 0.00 175.17 175.45 3sqc n ARG 538 N -1.56 0.17 0.00 0.00 1.74 -1.26 -3.19 116.66 112.57 3sqc n ARG 538 Ca 0.01 0.42 0.03 0.00 -0.77 0.00 0.00 57.85 57.53 3sqc n ARG 538 Cb 0.04 -1.84 0.13 0.00 -1.02 0.00 0.00 32.46 29.77 3sqc n ARG 538 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3sqc n SER 539 N -2.17 0.00 -0.03 0.55 3.41 -0.80 -0.70 113.62 113.89 3sqc n SER 539 Ca 0.02 0.21 -0.06 0.00 -0.26 0.00 0.00 58.87 58.77 3sqc n SER 539 Cb 0.21 -0.28 -0.13 0.00 -0.26 0.00 0.00 64.21 63.75 3sqc n SER 539 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3sqc n TYR 540 N -1.28 0.74 -0.08 7.33 4.01 -1.19 -4.52 117.16 122.16 3sqc n TYR 540 Ca 0.02 0.26 -0.10 0.00 -0.16 0.00 0.00 57.90 57.93 3sqc n TYR 540 Cb 0.04 -1.10 -0.04 0.00 -0.31 0.00 0.00 39.34 37.93 3sqc n TYR 540 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3sqc n GLU 541 N -2.92 0.49 -3.52 -0.72 -0.58 -0.45 -4.85 120.64 108.09 3sqc n GLU 541 Ca -0.18 0.47 -0.42 0.00 -0.42 0.00 0.00 57.16 56.61 3sqc n GLU 541 Cb 1.01 -1.65 -0.11 0.00 -0.57 0.00 0.00 31.44 30.13 3sqc n GLU 541 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3sqc s ASP 542 N -6.07 5.94 0.00 1.62 2.15 0.12 -4.96 116.67 115.48 3sqc s ASP 542 Ca -0.21 -0.92 0.04 0.00 0.43 0.00 0.00 52.55 51.89 3sqc s ASP 542 Cb 0.04 -2.10 0.22 0.00 -0.30 0.00 0.00 42.92 40.78 3sqc s ASP 542 CO 0.34 -0.41 0.97 -0.81 -0.17 0.00 0.00 175.17 175.09 3sqc n PRO 543 N 5.09 0.06 0.07 4.34 -0.04 -1.26 -1.38 135.00 141.88 3sqc n PRO 543 Ca -0.11 0.24 -0.07 0.00 -0.04 0.00 0.00 63.50 63.52 3sqc n PRO 543 Cb 0.47 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 3sqc n PRO 543 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3sqc h ALA 544 N 2.21 0.39 0.00 0.55 0.00 -1.92 -3.23 119.26 117.26 3sqc h ALA 544 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.03 3sqc h ALA 544 Cb 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3sqc h ALA 544 CO 0.00 1.20 0.00 0.66 0.00 0.00 0.00 179.25 181.11 3sqc n TYR 545 N -3.39 0.00 -1.60 0.00 4.01 -0.48 -4.79 117.16 110.91 3sqc n TYR 545 Ca -0.00 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.28 3sqc n TYR 545 Cb 0.92 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.90 3sqc n TYR 545 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3sqc n ALA 546 N -0.86 1.40 -1.01 -0.72 0.00 -1.22 -0.18 120.51 117.91 3sqc n ALA 546 Ca 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 53.44 53.57 3sqc n ALA 546 Cb 0.07 -2.71 -0.00 0.00 0.00 0.00 0.00 19.45 16.81 3sqc n ALA 546 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3sqc n GLY 547 N 5.44 0.46 3.51 0.00 0.00 -1.26 -5.02 105.19 108.32 3sqc n GLY 547 Ca 0.29 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 3sqc n GLY 547 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3sqc s LYS 548 N -0.61 2.83 0.00 1.61 1.02 0.74 -4.65 119.74 120.68 3sqc s LYS 548 Ca 0.00 -0.61 0.00 0.00 0.02 0.00 0.00 55.97 55.38 3sqc s LYS 548 Cb 0.00 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 3sqc s LYS 548 CO 0.00 0.56 0.00 0.41 -0.92 0.00 0.00 175.35 175.40 3sqc n GLY 549 N 2.53 2.99 3.74 -3.33 0.00 -1.11 0.25 105.19 110.25 3sqc n GLY 549 Ca -0.18 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 3sqc n GLY 549 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3sqc n ALA 550 N -1.55 2.16 -1.73 4.61 0.00 -1.26 -3.82 120.51 118.92 3sqc n ALA 550 Ca 0.00 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 3sqc n ALA 550 Cb 0.00 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.03 3sqc n ALA 550 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3sqc n SER 551 N 1.53 3.54 -4.19 0.00 7.64 -1.26 -4.17 113.62 116.72 3sqc n SER 551 Ca 0.06 1.15 -0.18 0.00 1.01 0.00 0.00 58.87 60.92 3sqc n SER 551 Cb 0.36 -1.55 -0.12 0.00 -1.01 0.00 0.00 64.21 61.90 3sqc n SER 551 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3sqc s THR 552 N -0.14 1.16 0.13 0.44 -4.23 -0.45 -4.91 115.64 107.63 3sqc s THR 552 Ca 0.64 -1.39 -0.22 0.00 -1.18 0.00 0.00 61.69 59.54 3sqc s THR 552 Cb -0.53 -1.17 -0.03 0.00 1.34 0.00 0.00 72.50 72.11 3sqc s THR 552 CO 0.50 -0.26 1.68 -0.65 -0.54 0.00 0.00 174.62 175.35 3sqc h PRO 553 N 4.14 -0.13 0.79 3.99 0.11 -1.87 -1.63 132.00 137.39 3sqc h PRO 553 Ca -0.41 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.67 3sqc h PRO 553 Cb 1.19 0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.34 3sqc h PRO 553 CO 0.42 -0.09 -0.40 0.66 -0.21 0.00 0.00 178.00 178.38 3sqc h SER 554 N -0.14 -0.96 -0.44 -2.05 4.64 -1.83 -0.62 113.55 112.15 3sqc h SER 554 Ca 0.09 0.04 0.13 0.00 -0.47 0.00 0.00 61.79 61.57 3sqc h SER 554 Cb 0.27 0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 3sqc h SER 554 CO -0.21 -0.66 0.34 1.56 -0.87 0.00 0.00 176.83 176.98 3sqc h GLN 555 N -1.09 0.00 -0.03 4.77 4.20 -1.82 0.18 115.11 121.32 3sqc h GLN 555 Ca -0.11 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 3sqc h GLN 555 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 3sqc h GLN 555 CO 0.17 0.00 -0.07 1.15 -0.67 0.00 0.00 178.83 179.40 3sqc h THR 556 N 0.00 1.47 -0.40 -0.54 2.02 -1.14 -2.73 112.91 111.58 3sqc h THR 556 Ca 0.21 -1.48 0.06 0.00 0.77 0.00 0.00 66.41 65.98 3sqc h THR 556 Cb 0.88 2.39 -0.02 0.00 -1.74 0.00 0.00 68.15 69.66 3sqc h THR 556 CO -0.00 0.40 0.27 0.00 0.37 0.00 0.00 175.52 176.56 3sqc h ALA 557 N 0.41 2.03 0.39 6.16 0.00 0.85 -0.75 119.26 128.36 3sqc h ALA 557 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3sqc h ALA 557 Cb 0.68 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3sqc h ALA 557 CO 0.02 -0.11 -0.19 -1.49 0.00 0.00 0.00 179.25 177.47 3sqc h TRP 558 N 0.27 -0.48 -0.27 0.00 6.55 -0.76 -2.23 115.95 119.02 3sqc h TRP 558 Ca 0.18 -0.01 0.01 0.00 0.95 0.00 0.00 58.89 60.02 3sqc h TRP 558 Cb 0.36 0.16 -0.01 0.00 -0.86 0.00 0.00 29.16 28.81 3sqc h TRP 558 CO -0.00 -0.16 0.18 0.00 -1.05 0.00 0.00 178.44 177.41 3sqc h ALA 559 N -0.39 1.85 -0.08 1.49 0.00 -1.14 -1.62 119.26 119.37 3sqc h ALA 559 Ca -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3sqc h ALA 559 Cb 0.54 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3sqc h ALA 559 CO 0.09 0.13 0.04 -0.07 0.00 0.00 0.00 179.25 179.44 3sqc h LEU 560 N 0.33 0.10 -1.51 0.00 -0.00 -1.07 -2.10 115.31 111.06 3sqc h LEU 560 Ca 0.10 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.88 3sqc h LEU 560 Cb 0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 40.63 3sqc h LEU 560 CO -0.02 0.16 0.17 0.24 -0.00 0.00 0.00 178.44 178.98 3sqc h MET 561 N 0.03 0.49 0.19 1.13 2.86 -0.69 0.15 114.93 119.10 3sqc h MET 561 Ca 0.03 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3sqc h MET 561 Cb 0.08 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3sqc h MET 561 CO -0.00 0.39 -0.09 0.00 1.06 0.00 0.00 176.91 178.26 3sqc h ALA 562 N 1.69 -0.26 -0.55 6.32 0.00 -0.99 -1.73 119.26 123.74 3sqc h ALA 562 Ca 0.13 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3sqc h ALA 562 Cb 0.06 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3sqc h ALA 562 CO -0.02 -0.60 0.05 -0.07 0.00 0.00 0.00 179.25 178.61 3sqc h LEU 563 N -0.35 0.92 -0.57 0.00 3.38 -0.87 -0.45 115.31 117.38 3sqc h LEU 563 Ca -0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3sqc h LEU 563 Cb 0.27 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3sqc h LEU 563 CO 0.04 0.97 0.31 0.40 0.09 0.00 0.00 178.44 180.25 3sqc h ILE 564 N 0.83 1.19 -0.31 1.22 2.04 -0.69 -0.84 117.51 120.94 3sqc h ILE 564 Ca 0.16 -0.48 -0.11 0.00 1.00 0.00 0.00 64.86 65.43 3sqc h ILE 564 Cb 0.47 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3sqc h ILE 564 CO 0.02 0.20 -0.23 0.00 0.00 0.00 0.00 178.15 178.15 3sqc h ALA 565 N 1.14 0.45 0.00 1.87 0.00 -1.23 -3.04 119.26 118.45 3sqc h ALA 565 Ca 0.20 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3sqc h ALA 565 Cb 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3sqc h ALA 565 CO -0.03 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.05 3sqc n GLY 566 N 0.06 -0.61 1.71 0.00 0.00 -0.18 -4.85 105.19 101.31 3sqc n GLY 566 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3sqc n GLY 566 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sqc n GLY 567 N 0.15 3.09 1.10 -0.02 0.00 -1.03 -4.91 105.19 103.57 3sqc n GLY 567 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3sqc n GLY 567 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3sqc n ARG 568 N -1.22 0.55 0.08 1.61 3.00 -0.35 -4.04 116.66 116.29 3sqc n ARG 568 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.85 57.80 3sqc n ARG 568 Cb 0.00 -1.23 0.17 0.00 0.00 0.00 0.00 32.46 31.40 3sqc n ARG 568 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3sqc h ALA 569 N 2.05 0.97 0.00 7.54 0.00 -1.79 -2.92 119.26 125.10 3sqc h ALA 569 Ca 0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 3sqc h ALA 569 Cb 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3sqc h ALA 569 CO 0.00 0.66 -0.46 1.49 0.00 0.00 0.00 179.25 180.94 3sqc h GLU 570 N 0.21 0.00 -6.38 0.00 4.57 -1.93 -3.41 114.58 107.63 3sqc h GLU 570 Ca 0.01 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.66 3sqc h GLU 570 Cb 0.96 0.00 0.23 0.00 -0.16 0.00 0.00 28.75 29.78 3sqc h GLU 570 CO 0.08 0.46 -1.38 0.45 -1.18 0.00 0.00 179.01 177.43 3sqc n SER 571 N -3.41 -3.74 0.05 1.04 2.88 -1.10 -4.82 113.62 104.51 3sqc n SER 571 Ca 0.01 0.18 -0.12 0.00 -1.33 0.00 0.00 58.87 57.60 3sqc n SER 571 Cb 0.61 -0.92 -0.09 0.00 -0.75 0.00 0.00 64.21 63.06 3sqc n SER 571 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3sqc h GLU 572 N -1.35 -0.17 -0.96 -1.46 4.39 -1.90 -2.99 114.58 110.14 3sqc h GLU 572 Ca -0.44 0.01 0.24 0.00 0.34 0.00 0.00 59.36 59.51 3sqc h GLU 572 Cb 1.31 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.93 3sqc h GLU 572 CO 0.29 0.26 0.64 0.00 -1.16 0.00 0.00 179.01 179.04 3sqc h ALA 573 N 0.04 2.40 0.66 3.43 0.00 -1.92 0.14 119.26 124.01 3sqc h ALA 573 Ca -0.02 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3sqc h ALA 573 Cb 0.51 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.32 3sqc h ALA 573 CO 0.03 -0.72 -0.32 0.00 0.00 0.00 0.00 179.25 178.24 3sqc h ALA 574 N 1.59 -0.89 -0.42 0.00 0.00 -1.78 -2.07 119.26 115.68 3sqc h ALA 574 Ca 0.50 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.23 3sqc h ALA 574 Cb 1.44 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 3sqc h ALA 574 CO -0.16 -0.84 0.28 -0.09 0.00 0.00 0.00 179.25 178.44 3sqc h ARG 575 N -1.21 0.49 -0.42 0.00 2.43 -1.19 -1.46 114.38 113.03 3sqc h ARG 575 Ca -0.09 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 3sqc h ARG 575 Cb 0.70 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 3sqc h ARG 575 CO 0.15 0.32 0.20 0.00 -1.51 0.00 0.00 179.97 179.13 3sqc h ARG 576 N 0.50 0.60 -0.30 0.20 2.47 -0.79 -1.82 114.38 115.26 3sqc h ARG 576 Ca 0.17 -0.09 -0.03 0.00 -1.26 0.00 0.00 59.98 58.77 3sqc h ARG 576 Cb 0.05 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 3sqc h ARG 576 CO -0.04 0.53 0.08 0.78 0.56 0.00 0.00 179.97 181.88 3sqc h GLY 577 N 0.53 0.50 0.54 0.04 0.00 -0.59 -2.47 103.07 101.63 3sqc h GLY 577 Ca 0.14 -0.31 0.11 0.00 0.00 0.00 0.00 47.33 47.27 3sqc h GLY 577 CO -0.02 0.29 0.63 -2.08 0.00 0.00 0.00 176.54 175.36 3sqc h VAL 578 N 0.32 0.95 -0.28 4.60 2.07 -1.15 -0.20 116.25 122.56 3sqc h VAL 578 Ca 0.09 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.29 3sqc h VAL 578 Cb 0.27 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 3sqc h VAL 578 CO -0.00 0.18 0.13 1.56 0.02 0.00 0.00 177.57 179.47 3sqc h GLN 579 N 1.00 0.28 -0.53 1.57 1.08 -1.01 0.00 115.11 117.49 3sqc h GLN 579 Ca 0.48 -0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.76 3sqc h GLN 579 Cb 0.44 -0.06 -0.09 0.00 -0.05 0.00 0.00 27.48 27.72 3sqc h GLN 579 CO -0.24 0.18 0.00 -0.92 -0.95 0.00 0.00 178.83 176.91 3sqc h TYR 580 N 0.29 -0.03 -0.53 2.96 5.03 -0.61 0.10 116.97 124.18 3sqc h TYR 580 Ca 0.11 0.04 -0.08 0.00 2.58 0.00 0.00 58.73 61.38 3sqc h TYR 580 Cb 0.04 0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.39 3sqc h TYR 580 CO -0.10 -0.12 0.00 -0.07 -1.32 0.00 0.00 178.16 176.55 3sqc h LEU 581 N 0.12 0.92 -0.55 2.82 3.38 -0.79 -0.19 115.31 121.02 3sqc h LEU 581 Ca 0.27 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3sqc h LEU 581 Cb 0.42 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3sqc h LEU 581 CO -0.45 1.00 0.23 0.58 0.09 0.00 0.00 178.44 179.89 3sqc h VAL 582 N 0.81 1.22 -0.05 1.22 2.07 -0.08 -2.69 116.25 118.75 3sqc h VAL 582 Ca 0.15 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 3sqc h VAL 582 Cb 0.53 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3sqc h VAL 582 CO 0.03 0.26 -0.14 -0.33 0.02 0.00 0.00 177.57 177.41 3sqc h GLU 583 N 0.75 0.18 0.00 1.57 5.08 -0.73 -3.27 114.58 118.17 3sqc h GLU 583 Ca 0.18 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3sqc h GLU 583 Cb 0.19 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3sqc h GLU 583 CO -0.02 0.74 0.00 0.25 -1.00 0.00 0.00 179.01 178.98 3sqc n THR 584 N -4.63 0.62 -1.81 1.13 -2.24 -0.09 -4.85 114.28 102.41 3sqc n THR 584 Ca -0.08 0.15 -0.38 0.00 -2.27 0.00 0.00 64.05 61.47 3sqc n THR 584 Cb 0.38 -0.85 0.04 0.00 -2.10 0.00 0.00 70.33 67.81 3sqc n THR 584 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3sqc s GLN 585 N -2.79 3.04 0.58 -0.78 0.74 -1.01 -4.70 119.66 114.73 3sqc s GLN 585 Ca 0.13 2.15 -0.06 0.00 0.05 0.00 0.00 55.36 57.64 3sqc s GLN 585 Cb 0.12 -2.16 0.00 0.00 1.10 0.00 0.00 33.01 32.07 3sqc s GLN 585 CO 0.30 -1.24 0.88 1.03 -0.55 0.00 0.00 175.29 175.71 3sqc s ARG 586 N -3.02 2.99 0.55 1.67 0.52 0.10 -4.98 118.95 116.78 3sqc s ARG 586 Ca 0.74 0.01 0.32 0.00 -0.52 0.00 0.00 55.73 56.28 3sqc s ARG 586 Cb -0.39 -2.29 1.57 0.00 0.52 0.00 0.00 34.95 34.37 3sqc s ARG 586 CO 0.45 -0.64 2.09 -1.35 0.02 0.00 0.00 175.30 175.86 3sqc h PRO 587 N -0.12 0.00 0.00 3.54 0.11 -1.95 -2.43 132.00 131.14 3sqc h PRO 587 Ca -0.46 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 3sqc h PRO 587 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3sqc h PRO 587 CO 0.61 0.08 -0.67 0.38 -0.21 0.00 0.00 178.00 178.18 3sqc h ASP 588 N 0.00 0.00 0.00 -2.05 3.04 -1.94 -3.48 116.42 111.99 3sqc h ASP 588 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3sqc h ASP 588 Cb 0.35 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.64 3sqc h ASP 588 CO 0.01 0.31 0.00 0.61 -2.04 0.00 0.00 179.24 178.13 3sqc n GLY 589 N 1.22 1.68 0.52 7.15 0.00 -0.91 -4.52 105.19 110.34 3sqc n GLY 589 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3sqc n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sqc n GLY 590 N 0.00 -0.89 3.12 -0.02 0.00 -1.26 -4.12 105.19 102.02 3sqc n GLY 590 Ca 0.00 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 3sqc n GLY 590 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3sqc s TRP 591 N -1.21 0.69 0.22 1.61 0.51 -1.26 0.02 118.94 119.52 3sqc s TRP 591 Ca 0.10 -0.95 0.06 0.00 -2.12 0.00 0.00 56.10 53.19 3sqc s TRP 591 Cb -0.00 -0.44 -0.04 0.00 -0.81 0.00 0.00 33.47 32.18 3sqc s TRP 591 CO 0.07 -0.25 0.20 -0.51 -0.51 0.00 0.00 176.95 175.95 3sqc s ASP 592 N -2.87 5.64 -0.46 2.95 1.01 -1.26 -4.77 116.67 116.92 3sqc s ASP 592 Ca 0.08 -0.17 0.07 0.00 0.71 0.00 0.00 52.55 53.24 3sqc s ASP 592 Cb 0.05 -1.48 0.18 0.00 1.01 0.00 0.00 42.92 42.68 3sqc s ASP 592 CO -0.07 -0.01 0.65 -0.70 0.21 0.00 0.00 175.17 175.26 3sqc s GLU 593 N -3.63 0.93 0.00 8.23 2.12 -1.26 -4.52 118.70 120.56 3sqc s GLU 593 Ca 0.33 -0.71 0.04 0.00 0.36 0.00 0.00 54.97 54.98 3sqc s GLU 593 Cb -0.09 -0.06 0.24 0.00 0.26 0.00 0.00 34.13 34.48 3sqc s GLU 593 CO 0.25 -1.26 0.74 -0.35 -0.54 0.00 0.00 175.26 174.10 3sqc n PRO 594 N 3.70 0.54 -4.36 4.30 -0.04 -1.26 -4.74 135.00 133.14 3sqc n PRO 594 Ca 0.15 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.34 3sqc n PRO 594 Cb 0.56 -1.11 -0.13 0.00 -0.04 0.00 0.00 33.50 32.78 3sqc n PRO 594 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3sqc s TYR 595 N -2.00 2.11 0.06 0.54 2.02 -1.26 -4.76 117.35 114.07 3sqc s TYR 595 Ca 0.06 -0.40 -0.26 0.00 -0.37 0.00 0.00 57.07 56.10 3sqc s TYR 595 Cb 0.03 -1.13 -0.06 0.00 -0.40 0.00 0.00 41.96 40.40 3sqc s TYR 595 CO 0.05 0.31 0.81 0.71 -1.57 0.00 0.00 175.55 175.86 3sqc s TYR 596 N -1.22 3.75 -0.13 2.71 1.51 -1.26 -4.93 117.35 117.78 3sqc s TYR 596 Ca 0.12 1.55 0.15 0.00 -1.01 0.00 0.00 57.07 57.88 3sqc s TYR 596 Cb -0.10 -2.88 0.34 0.00 -0.11 0.00 0.00 41.96 39.22 3sqc s TYR 596 CO 0.06 0.26 1.17 0.25 -1.11 0.00 0.00 175.55 176.17 3sqc n THR 597 N 2.80 1.50 -4.69 -0.71 -2.24 -1.22 -4.80 114.28 104.92 3sqc n THR 597 Ca -0.01 -2.23 -0.27 0.00 -2.27 0.00 0.00 64.05 59.27 3sqc n THR 597 Cb 0.50 0.05 -0.14 0.00 -2.10 0.00 0.00 70.33 68.64 3sqc n THR 597 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3sqc s GLY 598 N -2.68 1.22 -0.14 3.38 0.00 0.16 -1.70 107.32 107.56 3sqc s GLY 598 Ca 0.31 -1.14 0.02 0.00 0.00 0.00 0.00 44.72 43.92 3sqc s GLY 598 CO -0.05 -1.06 -0.21 -1.59 0.00 0.00 0.00 173.10 170.18 3sqc s THR 599 N -0.83 2.13 -0.01 0.90 2.01 -0.77 -0.73 115.64 118.34 3sqc s THR 599 Ca 0.09 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 61.12 3sqc s THR 599 Cb -0.09 -1.85 -0.00 0.00 0.01 0.00 0.00 72.50 70.56 3sqc s THR 599 CO 0.02 0.55 -0.02 1.23 -0.69 0.00 0.00 174.62 175.71 3sqc h GLY 600 N 7.23 0.00 -6.83 4.40 0.00 -0.84 -3.41 103.07 103.62 3sqc h GLY 600 Ca -0.31 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.49 3sqc h GLY 600 CO 0.54 0.00 -0.80 -1.36 0.00 0.00 0.00 176.54 174.93 3sqc s PHE 601 N -1.13 1.57 -0.42 5.60 0.08 -0.59 -4.95 117.98 118.14 3sqc s PHE 601 Ca -0.02 -0.89 -0.43 0.00 0.12 0.00 0.00 56.93 55.71 3sqc s PHE 601 Cb 0.00 -1.27 -0.18 0.00 -0.57 0.00 0.00 43.02 41.01 3sqc s PHE 601 CO 0.02 -0.56 1.84 -2.30 -0.10 0.00 0.00 175.22 174.12 3sqc n PRO 602 N 4.91 0.45 -0.17 0.24 -0.02 -1.26 -0.24 135.00 138.92 3sqc n PRO 602 Ca -0.12 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3sqc n PRO 602 Cb 0.49 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 3sqc n PRO 602 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3sqc n GLY 603 N 5.19 2.60 0.00 -1.23 0.00 -1.26 -4.79 105.19 105.69 3sqc n GLY 603 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3sqc n GLY 603 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3sqc n ASP 604 N 0.00 4.38 -3.70 1.61 8.00 0.67 -5.04 116.55 122.48 3sqc n ASP 604 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 3sqc n ASP 604 Cb 0.00 0.53 -0.13 0.00 -0.02 0.00 0.00 41.12 41.51 3sqc n ASP 604 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3sqc s PHE 605 N -1.85 -0.41 0.16 1.24 5.36 -0.27 -4.92 117.98 117.28 3sqc s PHE 605 Ca 0.00 0.94 0.11 0.00 -0.96 0.00 0.00 56.93 57.02 3sqc s PHE 605 Cb 0.00 0.05 -0.04 0.00 -0.34 0.00 0.00 43.02 42.69 3sqc s PHE 605 CO 0.00 -0.30 -0.24 0.71 -1.46 0.00 0.00 175.22 173.92 3sqc s TYR 606 N 1.78 2.22 0.03 10.12 2.02 -1.26 -0.15 117.35 132.10 3sqc s TYR 606 Ca -0.05 -0.38 0.06 0.00 -0.37 0.00 0.00 57.07 56.33 3sqc s TYR 606 Cb -0.11 -1.15 -0.02 0.00 -0.40 0.00 0.00 41.96 40.28 3sqc s TYR 606 CO -0.09 0.39 -0.17 -0.51 -1.57 0.00 0.00 175.55 173.61 3sqc s LEU 607 N -2.35 2.13 -0.38 -1.29 1.43 0.09 -4.39 118.68 113.92 3sqc s LEU 607 Ca 0.16 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.76 3sqc s LEU 607 Cb -0.09 -0.79 0.06 0.00 0.03 0.00 0.00 46.19 45.40 3sqc s LEU 607 CO 0.07 0.12 0.18 -0.83 0.23 0.00 0.00 176.35 176.12 3sqc s GLY 608 N -0.93 1.91 -0.88 -3.19 0.00 0.18 -0.66 107.32 103.75 3sqc s GLY 608 Ca 0.05 -1.97 -0.19 0.00 0.00 0.00 0.00 44.72 42.62 3sqc s GLY 608 CO 0.01 0.87 1.05 -0.19 0.00 0.00 0.00 173.10 174.85 3sqc s TYR 609 N 1.40 3.14 0.25 1.90 1.51 -1.26 -0.59 117.35 123.70 3sqc s TYR 609 Ca 0.01 -1.35 0.06 0.00 -1.01 0.00 0.00 57.07 54.78 3sqc s TYR 609 Cb -0.21 -4.22 0.73 0.00 -0.11 0.00 0.00 41.96 38.15 3sqc s TYR 609 CO 0.02 -1.44 1.20 2.41 -1.11 0.00 0.00 175.55 176.62 3sqc n THR 610 N 5.39 -0.32 0.18 -0.71 -1.04 -1.21 -0.86 114.28 115.71 3sqc n THR 610 Ca 0.19 1.63 0.06 0.00 -2.04 0.00 0.00 64.05 63.89 3sqc n THR 610 Cb 0.48 -2.47 0.21 0.00 -1.82 0.00 0.00 70.33 66.73 3sqc n THR 610 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 3sqc h MET 611 N 0.00 0.00 -0.65 -2.82 2.86 -1.90 -3.34 114.93 109.09 3sqc h MET 611 Ca 0.52 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 58.30 3sqc h MET 611 Cb 1.21 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.75 3sqc h MET 611 CO -0.67 0.35 -0.02 1.88 1.06 0.00 0.00 176.91 179.51 3sqc h TYR 612 N 0.00 -0.08 -0.50 -0.22 -1.99 -1.42 0.13 116.97 112.89 3sqc h TYR 612 Ca -0.00 0.05 0.14 0.00 2.00 0.00 0.00 58.73 60.92 3sqc h TYR 612 Cb 1.10 0.14 -0.02 0.00 2.00 0.00 0.00 36.73 39.94 3sqc h TYR 612 CO 0.00 -0.19 0.38 0.07 -0.00 0.00 0.00 178.16 178.41 3sqc h ARG 613 N 0.10 0.00 0.00 4.88 0.11 -1.74 -1.84 114.38 115.89 3sqc h ARG 613 Ca 0.34 0.00 -0.42 0.00 0.10 0.00 0.00 59.98 59.99 3sqc h ARG 613 Cb 0.55 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.57 3sqc h ARG 613 CO -0.57 0.00 -2.37 0.72 0.10 0.00 0.00 179.97 177.85 3sqc n HIS 614 N -4.27 0.17 0.29 4.08 8.25 -0.35 -4.39 115.22 118.99 3sqc n HIS 614 Ca 0.09 0.06 -0.16 0.00 -0.26 0.00 0.00 57.72 57.45 3sqc n HIS 614 Cb 0.59 -1.02 -0.08 0.00 1.12 0.00 0.00 29.99 30.60 3sqc n HIS 614 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3sqc h VAL 615 N -0.77 0.49 -0.49 1.59 2.07 -0.67 -2.75 116.25 115.72 3sqc h VAL 615 Ca -0.63 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3sqc h VAL 615 Cb 1.65 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 3sqc h VAL 615 CO -0.32 0.01 0.32 -0.26 0.02 0.00 0.00 177.57 177.34 3sqc h PHE 616 N -0.74 0.62 -0.80 1.57 0.04 -1.55 -0.70 116.94 115.39 3sqc h PHE 616 Ca -0.07 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.67 3sqc h PHE 616 Cb 0.55 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.46 3sqc h PHE 616 CO -0.03 0.40 0.34 -1.35 -0.60 0.00 0.00 178.31 177.07 3sqc h PRO 617 N 0.66 1.18 -0.84 1.51 0.11 -1.74 0.19 132.00 133.07 3sqc h PRO 617 Ca 0.18 -0.20 0.02 0.00 0.11 0.00 0.00 66.00 66.11 3sqc h PRO 617 Cb -0.06 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 30.80 3sqc h PRO 617 CO -0.04 0.94 0.55 1.15 -0.21 0.00 0.00 178.00 180.39 3sqc h THR 618 N 1.15 1.19 -0.19 -1.15 2.02 -1.16 0.26 112.91 115.03 3sqc h THR 618 Ca 0.27 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 3sqc h THR 618 Cb 0.18 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.57 3sqc h THR 618 CO -0.03 0.20 -0.10 0.25 0.37 0.00 0.00 175.52 176.22 3sqc h LEU 619 N 1.11 0.42 -0.64 2.58 5.85 -0.54 -2.37 115.31 121.70 3sqc h LEU 619 Ca 0.32 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3sqc h LEU 619 Cb -0.08 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3sqc h LEU 619 CO -0.08 0.74 0.42 0.00 -0.34 0.00 0.00 178.44 179.18 3sqc h ALA 620 N 0.69 0.82 -0.47 1.25 0.00 -0.17 -1.79 119.26 119.58 3sqc h ALA 620 Ca 0.04 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3sqc h ALA 620 Cb 0.59 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3sqc h ALA 620 CO 0.03 0.26 -0.16 -0.07 0.00 0.00 0.00 179.25 179.30 3sqc h LEU 621 N 0.87 0.91 -1.27 0.00 3.38 -0.98 -1.15 115.31 117.08 3sqc h LEU 621 Ca 0.23 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3sqc h LEU 621 Cb -0.08 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 3sqc h LEU 621 CO -0.05 1.07 0.27 1.23 0.09 0.00 0.00 178.44 181.05 3sqc h GLY 622 N 0.94 0.83 1.44 0.83 0.00 -1.07 -0.70 103.07 105.34 3sqc h GLY 622 Ca 0.12 -0.38 -0.19 0.00 0.00 0.00 0.00 47.33 46.88 3sqc h GLY 622 CO 0.05 0.36 -0.70 3.21 0.00 0.00 0.00 176.54 179.46 3sqc h ARG 623 N 0.78 0.56 0.00 4.80 3.08 -1.03 -2.87 114.38 119.70 3sqc h ARG 623 Ca 0.20 -0.43 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 3sqc h ARG 623 Cb 0.07 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3sqc h ARG 623 CO -0.03 1.06 -0.00 -0.92 -1.07 0.00 0.00 179.97 179.01 3sqc h TYR 624 N 0.39 -0.00 -0.80 3.04 3.20 -0.67 -2.60 116.97 119.54 3sqc h TYR 624 Ca -0.03 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 61.98 3sqc h TYR 624 Cb 1.29 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.50 3sqc h TYR 624 CO 0.06 0.08 0.52 -0.22 -1.64 0.00 0.00 178.16 176.96 3sqc h LYS 625 N -0.08 0.53 0.00 1.82 3.64 -1.14 -1.00 116.57 120.34 3sqc h LYS 625 Ca -0.00 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 3sqc h LYS 625 Cb 0.08 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3sqc h LYS 625 CO 0.00 0.35 -0.38 1.96 -2.27 0.00 0.00 179.45 179.11 3sqc h GLN 626 N 0.55 0.00 -2.39 1.90 7.50 -1.23 -3.23 115.11 118.20 3sqc h GLN 626 Ca 0.39 0.00 -0.24 0.00 0.50 0.00 0.00 58.65 59.30 3sqc h GLN 626 Cb 0.74 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.23 3sqc h GLN 626 CO -0.15 0.38 0.52 0.00 -1.50 0.00 0.00 178.83 178.08 3sqc n ALA 627 N -2.47 5.58 -1.89 3.87 0.00 -0.38 -5.13 120.51 120.10 3sqc n ALA 627 Ca -0.02 -1.78 0.00 0.00 0.00 0.00 0.00 53.44 51.64 3sqc n ALA 627 Cb 0.41 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.37 3sqc n ALA 627 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61