#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 -0.43 0.00 -0.00 -2.00 -3.35 116.97 111.19 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 -0.38 0.00 -0.00 0.00 0.00 178.16 177.78 3sqc h ALA 12 N 2.27 -0.29 -0.11 0.10 0.00 -2.00 0.21 119.26 119.44 3sqc h ALA 12 Ca 0.00 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3sqc h ALA 12 Cb 0.50 0.81 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3sqc h ALA 12 CO 0.00 -0.79 -0.23 -0.09 0.00 0.00 0.00 179.25 178.14 3sqc h ARG 13 N -0.28 0.19 -0.34 0.00 2.43 -2.00 -1.77 114.38 112.62 3sqc h ARG 13 Ca 0.16 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3sqc h ARG 13 Cb 0.56 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3sqc h ARG 13 CO -0.58 0.42 0.14 1.15 -1.51 0.00 0.00 179.97 179.59 3sqc h THR 14 N 0.18 1.18 -0.14 0.20 2.02 -1.35 -1.60 112.91 113.40 3sqc h THR 14 Ca 0.03 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 3sqc h THR 14 Cb 0.52 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3sqc h THR 14 CO 0.04 0.20 0.08 0.25 0.37 0.00 0.00 175.52 176.45 3sqc h LEU 15 N 0.40 0.17 -0.49 2.58 6.46 -0.22 -1.19 115.31 123.02 3sqc h LEU 15 Ca 0.11 -0.07 0.08 0.00 -0.12 0.00 0.00 57.88 57.88 3sqc h LEU 15 Cb 0.18 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.00 3sqc h LEU 15 CO -0.01 0.19 0.12 0.44 -0.62 0.00 0.00 178.44 178.56 3sqc h ASP 16 N 0.13 0.05 -0.29 1.25 3.32 -1.12 0.27 116.42 120.03 3sqc h ASP 16 Ca 0.05 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 3sqc h ASP 16 Cb 0.06 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3sqc h ASP 16 CO -0.01 0.05 -0.02 0.03 -1.72 0.00 0.00 179.24 177.58 3sqc h ARG 17 N 0.26 0.64 -0.09 3.56 3.08 -1.14 -0.09 114.38 120.61 3sqc h ARG 17 Ca 0.24 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3sqc h ARG 17 Cb 0.31 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 3sqc h ARG 17 CO -0.30 0.68 -0.05 0.00 -1.07 0.00 0.00 179.97 179.23 3sqc h ALA 18 N 1.38 0.13 0.05 0.04 0.00 -0.17 -2.26 119.26 118.43 3sqc h ALA 18 Ca 0.12 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.79 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 0.02 -0.09 -0.10 0.28 0.00 0.00 0.00 179.25 179.36 3sqc h VAL 19 N -0.17 0.76 0.00 0.00 2.07 -0.20 -1.39 116.25 117.32 3sqc h VAL 19 Ca 0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3sqc h VAL 19 Cb 0.51 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3sqc h VAL 19 CO 0.02 0.00 -0.10 1.05 0.02 0.00 0.00 177.57 178.55 3sqc h GLU 20 N -0.19 0.00 -0.22 1.57 4.11 -1.05 -2.31 114.58 116.49 3sqc h GLU 20 Ca 0.02 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.27 3sqc h GLU 20 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3sqc h GLU 20 CO -0.07 0.10 -0.56 -0.92 0.07 0.00 0.00 179.01 177.63 3sqc h TYR 21 N 0.00 0.98 -0.93 2.06 3.20 -0.77 -2.86 116.97 118.66 3sqc h TYR 21 Ca -0.00 -0.38 -0.01 0.00 3.14 0.00 0.00 58.73 61.48 3sqc h TYR 21 Cb 0.20 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 3sqc h TYR 21 CO 0.00 1.19 0.55 -0.07 -1.64 0.00 0.00 178.16 178.19 3sqc h LEU 22 N 0.50 1.13 -1.28 2.82 3.38 -0.73 -2.47 115.31 118.65 3sqc h LEU 22 Ca -0.01 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3sqc h LEU 22 Cb 1.18 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3sqc h LEU 22 CO 0.12 0.88 -0.30 -0.07 0.09 0.00 0.00 178.44 179.16 3sqc h LEU 23 N 1.29 0.00 -0.54 1.67 3.38 -1.48 -2.55 115.31 117.09 3sqc h LEU 23 Ca 0.33 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.23 3sqc h LEU 23 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3sqc h LEU 23 CO -0.06 0.30 -0.34 0.77 0.09 0.00 0.00 178.44 179.20 3sqc h SER 24 N 0.00 0.00 1.61 -0.43 4.64 -1.21 -3.12 113.55 115.04 3sqc h SER 24 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3sqc h SER 24 Cb 0.68 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 3sqc h SER 24 CO 0.04 0.34 -0.39 0.00 -0.87 0.00 0.00 176.83 175.95 3sqc s GLN 26 N -3.07 3.89 0.68 0.00 0.74 -1.15 -4.77 119.66 115.98 3sqc s GLN 26 Ca 0.04 2.43 -0.09 0.00 0.05 0.00 0.00 55.36 57.79 3sqc s GLN 26 Cb 0.07 -2.79 0.03 0.00 1.10 0.00 0.00 33.01 31.41 3sqc s GLN 26 CO 0.72 -0.66 1.04 0.15 -0.55 0.00 0.00 175.29 176.00 3sqc s LYS 27 N -2.28 2.69 0.23 1.67 3.01 -0.62 -4.98 119.74 119.45 3sqc s LYS 27 Ca 0.57 0.19 -0.07 0.00 -1.01 0.00 0.00 55.97 55.66 3sqc s LYS 27 Cb -0.44 -2.11 0.21 0.00 -1.01 0.00 0.00 37.83 34.48 3sqc s LYS 27 CO 0.58 -1.03 1.82 -0.44 0.51 0.00 0.00 175.35 176.79 3sqc h ASP 28 N -0.55 1.09 0.17 2.83 5.19 -1.95 -2.37 116.42 120.83 3sqc h ASP 28 Ca -0.45 -0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 55.82 3sqc h ASP 28 Cb 1.27 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 40.50 3sqc h ASP 28 CO 0.63 0.93 -0.01 -0.33 -3.12 0.00 0.00 179.24 177.33 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 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 3sqc h GLU 29 Cb 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 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 -0.94 0.94 3.92 -3.84 0.00 -0.89 -4.76 105.19 99.63 3sqc n GLY 30 Ca -0.02 0.00 -0.20 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 2.87 0.08 1.61 -0.85 -1.26 -3.64 117.35 114.16 3sqc s TYR 31 Ca 0.00 -0.36 0.07 0.00 -0.52 0.00 0.00 57.07 56.26 3sqc s TYR 31 Cb 0.00 -2.08 -0.04 0.00 0.38 0.00 0.00 41.96 40.22 3sqc s TYR 31 CO 0.00 -0.09 -0.14 -1.58 -1.52 0.00 0.00 175.55 172.22 3sqc s TRP 32 N -2.34 2.64 -0.35 -3.49 0.51 -1.26 -1.59 118.94 113.05 3sqc s TRP 32 Ca 0.47 -0.21 0.06 0.00 -2.12 0.00 0.00 56.10 54.31 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 0.29 0.36 0.58 -0.46 -0.51 0.00 0.00 176.95 177.22 3sqc s TRP 33 N -1.10 -1.67 0.24 -1.98 -0.00 -1.26 -3.74 118.94 109.43 3sqc s TRP 33 Ca 0.18 0.55 -0.13 0.00 -0.00 0.00 0.00 56.10 56.71 3sqc s TRP 33 Cb -0.11 0.25 -0.08 0.00 -0.00 0.00 0.00 33.47 33.53 3sqc s TRP 33 CO 0.10 -1.12 0.61 0.20 -0.00 0.00 0.00 176.95 176.74 3sqc s GLY 34 N 2.29 2.35 0.82 5.86 0.00 -1.26 -5.02 107.32 112.35 3sqc s GLY 34 Ca 0.13 -0.13 -0.11 0.00 0.00 0.00 0.00 44.72 44.61 3sqc s GLY 34 CO -0.16 0.07 1.12 -4.14 0.00 0.00 0.00 173.10 169.98 3sqc s PRO 35 N -2.63 1.79 -0.23 2.90 0.02 -1.26 -4.60 135.00 131.00 3sqc s PRO 35 Ca 0.47 1.35 -0.05 0.00 0.02 0.00 0.00 61.00 62.79 3sqc s PRO 35 Cb -0.12 -1.83 -0.02 0.00 0.02 0.00 0.00 34.50 32.55 3sqc s PRO 35 CO 0.20 -2.02 0.01 -1.17 -0.33 0.00 0.00 177.00 173.68 3sqc s LEU 36 N -6.11 3.17 -0.10 -5.54 2.96 -1.26 -3.20 118.68 108.60 3sqc s LEU 36 Ca 0.64 -0.28 -0.15 0.00 -0.22 0.00 0.00 54.13 54.12 3sqc s LEU 36 Cb -0.20 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 3sqc s LEU 36 CO 0.56 -0.00 0.36 -0.76 -1.32 0.00 0.00 176.35 175.19 3sqc s LEU 37 N 1.41 4.33 0.00 -0.68 1.02 0.26 -4.49 118.68 120.52 3sqc s LEU 37 Ca 0.05 0.71 0.00 0.00 0.02 0.00 0.00 54.13 54.91 3sqc s LEU 37 Cb -0.15 -2.50 0.00 0.00 0.02 0.00 0.00 46.19 43.57 3sqc s LEU 37 CO 0.00 0.16 0.00 -1.54 0.02 0.00 0.00 176.35 174.99 3sqc n SER 38 N 3.00 0.00 -3.49 2.29 3.41 -1.26 0.35 113.62 117.92 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 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.53 0.47 4.04 2.20 -1.26 -4.80 114.94 116.06 3sqc s ASN 39 Ca 0.00 0.32 0.23 0.00 -0.94 0.00 0.00 52.86 52.47 3sqc s ASN 39 Cb 0.00 0.49 0.78 0.00 -2.00 0.00 0.00 41.25 40.53 3sqc s ASN 39 CO 0.00 -0.68 1.03 0.52 -2.94 0.00 0.00 177.10 175.03 3sqc n VAL 40 N 0.27 0.00 0.28 3.54 0.31 -1.26 -2.33 118.33 119.15 3sqc n VAL 40 Ca -0.15 1.00 0.15 0.00 -0.01 0.00 0.00 64.34 65.33 3sqc n VAL 40 Cb 0.60 -1.78 0.84 0.00 -0.91 0.00 0.00 33.84 32.59 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 0.48 0.20 2.52 1.35 -1.97 -1.39 112.91 114.10 3sqc h THR 41 Ca 0.43 -0.30 -0.01 0.00 -0.55 0.00 0.00 66.41 65.97 3sqc h THR 41 Cb 2.37 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.99 3sqc h THR 41 CO -0.00 0.06 -0.10 0.24 -0.25 0.00 0.00 175.52 175.47 3sqc h MET 42 N 0.00 -0.26 0.00 4.72 2.86 -1.80 -0.95 114.93 119.50 3sqc h MET 42 Ca -0.00 0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.52 3sqc h MET 42 Cb 0.20 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 3sqc h MET 42 CO 0.01 -0.14 -0.66 1.05 1.06 0.00 0.00 176.91 178.23 3sqc h GLU 43 N -0.32 0.00 -0.49 1.72 9.09 -1.74 -1.44 114.58 121.40 3sqc h GLU 43 Ca -0.03 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.31 3sqc h GLU 43 Cb 0.25 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.33 3sqc h GLU 43 CO 0.05 0.66 0.03 0.00 0.05 0.00 0.00 179.01 179.80 3sqc h ALA 44 N 1.34 0.65 -0.01 1.06 0.00 -1.14 -1.46 119.26 119.70 3sqc h ALA 44 Ca -0.01 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.47 3sqc h ALA 44 Cb 1.34 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3sqc h ALA 44 CO 0.09 0.43 -0.77 0.93 0.00 0.00 0.00 179.25 179.92 3sqc h GLU 45 N 0.70 0.14 -0.86 0.00 5.08 -1.16 -2.86 114.58 115.63 3sqc h GLU 45 Ca 0.14 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3sqc h GLU 45 Cb 0.47 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 3sqc h GLU 45 CO 0.02 0.84 0.45 -0.92 -1.00 0.00 0.00 179.01 178.41 3sqc h TYR 46 N 0.09 1.19 -0.43 4.33 5.03 -1.01 0.20 116.97 126.37 3sqc h TYR 46 Ca -0.02 -0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.24 3sqc h TYR 46 Cb 1.36 -0.38 -0.02 0.00 1.55 0.00 0.00 36.73 39.24 3sqc h TYR 46 CO 0.02 0.84 0.24 0.28 -1.32 0.00 0.00 178.16 178.22 3sqc h VAL 47 N 1.20 1.15 -0.51 1.81 2.07 -1.16 -0.51 116.25 120.30 3sqc h VAL 47 Ca 0.30 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 3sqc h VAL 47 Cb 0.05 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3sqc h VAL 47 CO -0.05 0.16 -0.04 -0.07 0.02 0.00 0.00 177.57 177.59 3sqc h LEU 48 N 0.56 0.93 -0.48 2.57 3.38 -1.22 -2.72 115.31 118.33 3sqc h LEU 48 Ca 0.15 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.85 3sqc h LEU 48 Cb 0.04 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 3sqc h LEU 48 CO -0.03 1.03 0.19 0.25 0.09 0.00 0.00 178.44 179.98 3sqc h LEU 49 N 0.80 0.23 -0.59 1.67 5.85 -0.30 -1.58 115.31 121.40 3sqc h LEU 49 Ca 0.14 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.98 3sqc h LEU 49 Cb 0.58 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 3sqc h LEU 49 CO 0.03 0.16 0.25 0.00 -0.34 0.00 0.00 178.44 178.55 3sqc h HIS 51 N 0.47 0.62 -0.71 0.00 -0.00 -1.03 -0.36 115.15 114.15 3sqc h HIS 51 Ca 0.28 0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.62 3sqc h HIS 51 Cb 0.29 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 27.46 3sqc h HIS 51 CO -0.14 0.40 0.27 0.82 -0.00 0.00 0.00 177.93 179.28 3sqc h ILE 52 N 0.67 1.25 -0.01 6.26 2.04 -0.63 -2.32 117.51 124.78 3sqc h ILE 52 Ca 0.18 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.24 3sqc h ILE 52 Cb -0.07 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3sqc h ILE 52 CO -0.04 0.32 -0.01 0.18 0.00 0.00 0.00 178.15 178.60 3sqc n LEU 53 N -4.35 0.55 -3.48 1.44 4.77 -0.12 -4.93 117.00 110.89 3sqc n LEU 53 Ca 0.05 -0.17 -0.25 0.00 -0.03 0.00 0.00 56.01 55.62 3sqc n LEU 53 Cb 0.19 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.30 3sqc n LEU 53 CO 0.40 0.09 0.11 -0.67 -1.33 0.00 0.00 177.39 176.00 3sqc n ASP 54 N -0.60 -5.71 -3.26 -1.43 2.03 -0.29 -4.94 116.55 102.36 3sqc n ASP 54 Ca 0.21 -0.51 -0.25 0.00 0.52 0.00 0.00 54.79 54.77 3sqc n ASP 54 Cb 0.21 -4.55 -0.07 0.00 -0.72 0.00 0.00 41.12 35.99 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 -4.53 1.73 -3.34 -0.67 1.74 -0.37 -5.03 116.66 106.20 3sqc n ARG 55 Ca -0.02 -3.99 -0.40 0.00 -0.77 0.00 0.00 57.85 52.67 3sqc n ARG 55 Cb 0.57 -1.79 -0.09 0.00 -1.02 0.00 0.00 32.46 30.13 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 -2.16 5.12 -0.48 1.55 1.01 -1.26 -4.82 120.40 119.36 3sqc s VAL 56 Ca 0.39 0.43 -0.16 0.00 0.00 0.00 0.00 61.98 62.64 3sqc s VAL 56 Cb 0.19 -3.81 0.08 0.00 0.00 0.00 0.00 36.38 32.84 3sqc s VAL 56 CO -0.07 -0.01 0.42 -0.62 0.00 0.00 0.00 175.10 174.83 3sqc s ASP 57 N 1.68 6.16 0.33 3.32 2.15 -1.26 -4.95 116.67 124.09 3sqc s ASP 57 Ca 0.16 -1.34 0.11 0.00 0.43 0.00 0.00 52.55 51.92 3sqc s ASP 57 Cb -0.16 -2.19 0.99 0.00 -0.30 0.00 0.00 42.92 41.26 3sqc s ASP 57 CO 0.11 -0.69 1.67 0.03 -0.17 0.00 0.00 175.17 176.13 3sqc h ARG 58 N 8.79 0.33 -0.03 4.34 2.47 -1.99 -0.43 114.38 127.86 3sqc h ARG 58 Ca -0.29 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.41 3sqc h ARG 58 Cb 1.11 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.35 3sqc h ARG 58 CO 0.90 0.22 0.01 0.22 0.56 0.00 0.00 179.97 181.88 3sqc h ASP 59 N 0.34 0.04 -0.50 7.04 1.82 -2.01 -2.72 116.42 120.44 3sqc h ASP 59 Ca 0.69 -0.22 -0.00 0.00 -0.39 0.00 0.00 57.03 57.11 3sqc h ASP 59 Cb 1.50 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 41.48 3sqc h ASP 59 CO -0.60 0.25 0.31 -0.09 -1.61 0.00 0.00 179.24 177.50 3sqc h ARG 60 N -0.17 0.67 -0.31 0.28 9.65 -1.55 -2.18 114.38 120.77 3sqc h ARG 60 Ca 0.01 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 58.78 3sqc h ARG 60 Cb 0.22 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 3sqc h ARG 60 CO -0.00 0.47 -0.06 0.52 2.80 0.00 0.00 179.97 183.70 3sqc h MET 61 N 0.69 0.50 0.12 0.20 2.86 -0.98 -2.52 114.93 115.81 3sqc h MET 61 Ca 0.18 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3sqc h MET 61 Cb -0.04 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.56 3sqc h MET 61 CO -0.04 0.57 -0.06 0.93 1.06 0.00 0.00 176.91 179.38 3sqc h GLU 62 N 0.47 -0.16 -0.01 1.72 4.39 -1.10 -0.85 114.58 119.05 3sqc h GLU 62 Ca 0.09 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3sqc h GLU 62 Cb 0.40 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3sqc h GLU 62 CO 0.02 0.14 0.02 0.87 -1.16 0.00 0.00 179.01 178.89 3sqc h LYS 63 N -0.46 0.00 0.05 2.33 1.57 -1.38 0.11 116.57 118.79 3sqc h LYS 63 Ca -0.02 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.49 3sqc h LYS 63 Cb 0.37 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 3sqc h LYS 63 CO 0.03 0.00 -1.40 0.82 -0.57 0.00 0.00 179.45 178.33 3sqc h ILE 64 N 0.00 1.26 -0.22 1.86 2.04 -1.08 -1.52 117.51 119.85 3sqc h ILE 64 Ca 0.00 -2.98 -0.03 0.00 1.00 0.00 0.00 64.86 62.85 3sqc h ILE 64 Cb 0.04 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.81 3sqc h ILE 64 CO -0.00 0.79 0.01 -0.09 0.00 0.00 0.00 178.15 178.86 3sqc h ARG 65 N 0.03 0.38 -0.97 2.37 2.43 0.44 -0.71 114.38 118.35 3sqc h ARG 65 Ca -0.18 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 58.89 3sqc h ARG 65 Cb 1.93 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 31.40 3sqc h ARG 65 CO 0.13 0.55 0.64 0.00 -1.51 0.00 0.00 179.97 179.79 3sqc h ARG 66 N 0.16 1.27 0.28 0.20 3.08 -1.36 -1.70 114.38 116.31 3sqc h ARG 66 Ca 0.06 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3sqc h ARG 66 Cb 0.38 -0.29 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3sqc h ARG 66 CO 0.01 0.84 -0.14 -0.92 -1.07 0.00 0.00 179.97 178.69 3sqc h TYR 67 N 1.30 -0.35 -0.99 3.04 3.20 -1.35 -0.70 116.97 121.12 3sqc h TYR 67 Ca 0.36 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.31 3sqc h TYR 67 Cb -0.14 0.12 -0.08 0.00 1.54 0.00 0.00 36.73 38.17 3sqc h TYR 67 CO -0.00 -0.02 0.63 -0.07 -1.64 0.00 0.00 178.16 177.05 3sqc h LEU 68 N -0.72 0.96 -0.07 2.82 3.38 -0.99 -1.08 115.31 119.62 3sqc h LEU 68 Ca -0.04 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3sqc h LEU 68 Cb 0.49 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3sqc h LEU 68 CO 0.06 0.56 -0.07 -0.07 0.09 0.00 0.00 178.44 179.02 3sqc h LEU 69 N 1.06 0.18 -2.24 1.67 4.07 -1.31 -2.63 115.31 116.11 3sqc h LEU 69 Ca 0.46 -0.48 0.04 0.00 0.08 0.00 0.00 57.88 57.98 3sqc h LEU 69 Cb 0.34 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 3sqc h LEU 69 CO -0.22 0.62 0.25 -0.74 -1.08 0.00 0.00 178.44 177.27 3sqc h HIS 70 N -0.26 0.00 0.00 1.13 2.76 -0.48 -0.53 115.15 117.77 3sqc h HIS 70 Ca 0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3sqc h HIS 70 Cb 0.57 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.53 3sqc h HIS 70 CO 0.09 0.00 -1.08 0.39 -1.30 0.00 0.00 177.93 176.03 3sqc n GLU 71 N -3.40 0.51 -2.29 5.26 -0.58 -0.47 -4.92 120.64 114.76 3sqc n GLU 71 Ca 0.01 0.06 -0.38 0.00 -0.42 0.00 0.00 57.16 56.42 3sqc n GLU 71 Cb 0.35 -1.73 -0.02 0.00 -0.57 0.00 0.00 31.44 29.47 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 -3.33 3.99 0.59 3.49 0.74 -0.21 -4.80 119.66 120.13 3sqc s GLN 72 Ca 0.00 1.82 0.03 0.00 0.05 0.00 0.00 55.36 57.26 3sqc s GLN 72 Cb 0.11 -2.61 0.07 0.00 1.10 0.00 0.00 33.01 31.69 3sqc s GLN 72 CO 0.80 -0.37 0.81 1.03 -0.55 0.00 0.00 175.29 177.01 3sqc s ARG 73 N -2.40 2.28 0.33 1.67 3.00 -0.23 -4.94 118.95 118.67 3sqc s ARG 73 Ca 0.59 -1.12 0.07 0.00 0.00 0.00 0.00 55.73 55.27 3sqc s ARG 73 Cb -0.30 -2.51 0.75 0.00 0.00 0.00 0.00 34.95 32.89 3sqc s ARG 73 CO 0.37 -0.89 1.85 0.93 0.00 0.00 0.00 175.30 177.56 3sqc h GLU 74 N 0.00 0.74 0.00 3.54 5.08 -1.97 0.13 114.58 122.11 3sqc h GLU 74 Ca -0.38 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3sqc h GLU 74 Cb 1.28 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3sqc h GLU 74 CO 0.45 0.49 0.00 -0.40 -1.00 0.00 0.00 179.01 178.55 3sqc n ASP 75 N -4.60 0.00 0.00 1.42 5.68 -1.26 -4.84 116.55 112.95 3sqc n ASP 75 Ca 0.19 0.30 0.00 0.00 -0.50 0.00 0.00 54.79 54.78 3sqc n ASP 75 Cb 0.47 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 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 -0.37 0.43 3.59 6.12 0.00 0.46 -4.48 105.19 110.94 3sqc n GLY 76 Ca 0.04 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.00 1.89 0.07 2.61 -4.23 -1.25 -3.35 115.64 109.38 3sqc s THR 77 Ca 0.00 -2.01 0.08 0.00 -1.18 0.00 0.00 61.69 58.58 3sqc s THR 77 Cb 0.00 -2.94 -0.03 0.00 1.34 0.00 0.00 72.50 70.87 3sqc s THR 77 CO 0.00 -0.02 -0.22 0.26 -0.54 0.00 0.00 174.62 174.10 3sqc s TRP 78 N -2.80 1.94 0.51 3.99 0.51 -1.26 -1.07 118.94 120.77 3sqc s TRP 78 Ca 0.35 -0.39 0.03 0.00 -2.12 0.00 0.00 56.10 53.97 3sqc s TRP 78 Cb 0.09 -1.12 -0.00 0.00 -0.81 0.00 0.00 33.47 31.63 3sqc s TRP 78 CO 0.17 0.16 0.13 0.00 -0.51 0.00 0.00 176.95 176.91 3sqc s ALA 79 N -0.94 4.13 -0.03 0.98 0.00 -1.26 -1.36 121.76 123.28 3sqc s ALA 79 Ca 0.09 -0.83 -0.17 0.00 0.00 0.00 0.00 51.96 51.05 3sqc s ALA 79 Cb -0.09 -0.21 -0.32 0.00 0.00 0.00 0.00 23.12 22.49 3sqc s ALA 79 CO 0.03 -0.16 0.84 -0.07 0.00 0.00 0.00 175.76 176.40 3sqc h LEU 80 N 1.20 0.63 -8.74 0.00 3.38 -1.89 -3.44 115.31 106.45 3sqc h LEU 80 Ca -0.42 -0.92 -0.50 0.00 0.09 0.00 0.00 57.88 56.13 3sqc h LEU 80 Cb 1.30 -0.21 -0.18 0.00 0.09 0.00 0.00 40.66 41.66 3sqc h LEU 80 CO 0.69 1.63 -0.78 -0.72 0.09 0.00 0.00 178.44 179.35 3sqc s TYR 81 N -2.53 1.69 0.10 1.13 1.13 -1.26 -4.62 117.35 112.99 3sqc s TYR 81 Ca -0.13 -0.49 -0.31 0.00 -1.41 0.00 0.00 57.07 54.73 3sqc s TYR 81 Cb 0.03 -0.87 -0.09 0.00 -1.10 0.00 0.00 41.96 39.93 3sqc s TYR 81 CO 0.87 0.26 1.77 -1.25 -2.51 0.00 0.00 175.55 174.69 3sqc s PRO 82 N -2.64 4.16 0.00 -3.49 0.04 -1.26 -1.40 135.00 130.41 3sqc s PRO 82 Ca 0.12 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.66 3sqc s PRO 82 Cb -0.06 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.86 3sqc s PRO 82 CO 0.05 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.69 3sqc n GLY 83 N 4.16 0.93 3.90 0.56 0.00 -1.26 -4.80 105.19 108.68 3sqc n GLY 83 Ca 0.17 0.00 -0.29 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 -1.63 1.62 0.82 -0.02 0.00 -0.49 -5.04 107.32 102.57 3sqc s GLY 84 Ca 0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 44.72 43.99 3sqc s GLY 84 CO 0.00 -0.19 1.17 2.56 0.00 0.00 0.00 173.10 176.65 3sqc s PRO 85 N -5.41 1.61 0.27 2.90 0.04 -1.26 -4.79 135.00 128.36 3sqc s PRO 85 Ca 0.60 1.63 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 3sqc s PRO 85 Cb -0.11 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 32.54 3sqc s PRO 85 CO 0.49 -2.21 1.48 -1.25 0.04 0.00 0.00 177.00 175.55 3sqc s PRO 86 N -4.33 4.23 -0.19 0.56 0.04 -1.26 -4.47 135.00 129.58 3sqc s PRO 86 Ca 0.70 2.38 -0.07 0.00 0.04 0.00 0.00 61.00 64.05 3sqc s PRO 86 Cb -0.26 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 3sqc s PRO 86 CO 0.52 -0.48 0.05 0.34 0.04 0.00 0.00 177.00 177.47 3sqc s ASP 87 N 0.37 5.38 0.05 6.66 -1.08 -0.46 -4.99 116.67 122.59 3sqc s ASP 87 Ca 0.60 -0.01 -0.26 0.00 -0.52 0.00 0.00 52.55 52.35 3sqc s ASP 87 Cb -0.44 -1.92 -0.17 0.00 -1.46 0.00 0.00 42.92 38.93 3sqc s ASP 87 CO 0.45 0.13 1.49 0.25 0.52 0.00 0.00 175.17 178.02 3sqc h LEU 88 N 6.99 -0.30 0.21 -1.34 5.85 -1.94 -2.03 115.31 122.75 3sqc h LEU 88 Ca -0.36 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3sqc h LEU 88 Cb 1.17 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 3sqc h LEU 88 CO 0.66 -0.07 -0.42 0.44 -0.34 0.00 0.00 178.44 178.70 3sqc h ASP 89 N -0.52 -1.24 -0.81 1.25 3.32 -1.95 -0.30 116.42 116.17 3sqc h ASP 89 Ca -0.04 0.12 0.17 0.00 0.02 0.00 0.00 57.03 57.30 3sqc h ASP 89 Cb 0.39 0.44 -0.11 0.00 0.22 0.00 0.00 39.33 40.27 3sqc h ASP 89 CO 0.06 -0.49 0.34 0.74 -1.72 0.00 0.00 179.24 178.17 3sqc h THR 90 N -0.69 0.60 -0.46 0.35 2.02 -1.90 -1.33 112.91 111.49 3sqc h THR 90 Ca -0.02 -0.15 -0.11 0.00 0.77 0.00 0.00 66.41 66.90 3sqc h THR 90 Cb 0.65 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3sqc h THR 90 CO -0.17 0.08 -0.14 0.74 0.37 0.00 0.00 175.52 176.41 3sqc h THR 91 N 0.45 1.26 -0.27 3.16 2.02 -1.05 -0.15 112.91 118.33 3sqc h THR 91 Ca 0.47 -1.25 -0.05 0.00 0.77 0.00 0.00 66.41 66.35 3sqc h THR 91 Cb 0.77 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 3sqc h THR 91 CO -0.45 0.43 -0.04 0.40 0.37 0.00 0.00 175.52 176.23 3sqc h ILE 92 N 0.77 1.27 -0.40 3.11 2.04 0.02 0.26 117.51 124.59 3sqc h ILE 92 Ca 0.12 -1.03 -0.11 0.00 1.00 0.00 0.00 64.86 64.84 3sqc h ILE 92 Cb 0.66 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 3sqc h ILE 92 CO 0.05 0.33 -0.20 -0.33 0.00 0.00 0.00 178.15 177.99 3sqc h GLU 93 N 0.27 0.77 -0.42 2.37 5.08 -1.26 -0.07 114.58 121.32 3sqc h GLU 93 Ca 0.07 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 3sqc h GLU 93 Cb 0.50 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3sqc h GLU 93 CO 0.02 0.91 0.16 0.00 -1.00 0.00 0.00 179.01 179.10 3sqc h ALA 94 N 1.10 0.55 0.03 3.43 0.00 -0.87 -1.11 119.26 122.39 3sqc h ALA 94 Ca 0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3sqc h ALA 94 Cb 0.70 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3sqc h ALA 94 CO 0.05 0.16 -0.02 -0.92 0.00 0.00 0.00 179.25 178.52 3sqc h TYR 95 N 0.53 -0.04 -0.85 0.00 5.03 -0.63 -1.05 116.97 119.96 3sqc h TYR 95 Ca 0.14 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.45 3sqc h TYR 95 Cb 0.20 0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.45 3sqc h TYR 95 CO 0.00 -0.01 0.55 0.28 -1.32 0.00 0.00 178.16 177.65 3sqc h VAL 96 N -0.06 1.22 0.39 1.81 2.07 -0.80 -0.11 116.25 120.77 3sqc h VAL 96 Ca -0.00 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 3sqc h VAL 96 Cb 0.05 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 3sqc h VAL 96 CO 0.01 0.22 -0.19 0.00 0.02 0.00 0.00 177.57 177.63 3sqc h ALA 97 N 1.44 -0.52 -0.72 1.67 0.00 -0.94 -2.31 119.26 117.89 3sqc h ALA 97 Ca 0.31 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.15 3sqc h ALA 97 Cb -0.11 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 3sqc h ALA 97 CO -0.06 -0.72 0.38 -0.07 0.00 0.00 0.00 179.25 178.77 3sqc h LEU 98 N -0.66 0.51 -1.34 0.00 3.38 -0.74 0.82 115.31 117.28 3sqc h LEU 98 Ca -0.05 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3sqc h LEU 98 Cb 0.48 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3sqc h LEU 98 CO 0.09 0.30 0.01 0.50 0.09 0.00 0.00 178.44 179.43 3sqc h LYS 99 N 0.65 0.45 -0.13 1.13 3.64 -0.94 -2.25 116.57 119.11 3sqc h LYS 99 Ca 0.35 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 59.48 3sqc h LYS 99 Cb 0.34 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3sqc h LYS 99 CO -0.25 0.47 -0.56 -0.92 -2.27 0.00 0.00 179.45 175.92 3sqc h TYR 100 N 0.44 0.82 -0.44 1.91 3.20 -0.65 -3.15 116.97 119.09 3sqc h TYR 100 Ca 0.10 -0.35 0.04 0.00 3.14 0.00 0.00 58.73 61.66 3sqc h TYR 100 Cb 0.27 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 3sqc h TYR 100 CO 0.01 1.14 0.30 0.82 -1.64 0.00 0.00 178.16 178.79 3sqc h ILE 101 N 0.26 1.01 0.00 1.81 2.04 -0.50 -3.46 117.51 118.67 3sqc h ILE 101 Ca -0.03 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3sqc h ILE 101 Cb 1.20 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3sqc h ILE 101 CO 0.12 0.08 0.00 0.61 0.00 0.00 0.00 178.15 178.96 3sqc n GLY 102 N -1.50 0.99 3.74 5.37 0.00 -0.88 -5.05 105.19 107.87 3sqc n GLY 102 Ca 0.05 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 2.46 -3.32 1.61 2.81 -1.07 -4.98 117.12 114.62 3sqc n MET 103 Ca 0.00 0.86 -0.29 0.00 -1.81 0.00 0.00 57.70 56.47 3sqc n MET 103 Cb 0.00 -2.54 -0.03 0.00 -0.71 0.00 0.00 33.22 29.93 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 -0.14 6.45 0.62 7.83 1.04 -1.26 -4.35 113.70 123.89 3sqc s SER 104 Ca 0.55 0.73 0.36 0.00 0.48 0.00 0.00 55.95 58.08 3sqc s SER 104 Cb -0.52 -2.15 1.99 0.00 0.10 0.00 0.00 66.02 65.44 3sqc s SER 104 CO 0.62 -0.20 2.11 0.08 0.98 0.00 0.00 173.24 176.83 3sqc h ARG 105 N 1.69 0.00 -0.18 4.02 0.11 -1.96 -2.79 114.38 115.27 3sqc h ARG 105 Ca -0.48 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.44 3sqc h ARG 105 Cb 1.19 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.26 3sqc h ARG 105 CO 0.66 0.00 -0.59 -0.44 0.10 0.00 0.00 179.97 179.71 3sqc h ASP 106 N 0.00 0.64 -3.16 0.08 3.32 -1.96 -3.34 116.42 112.00 3sqc h ASP 106 Ca 0.00 -0.36 -0.58 0.00 0.02 0.00 0.00 57.03 56.12 3sqc h ASP 106 Cb 0.24 -0.18 0.11 0.00 0.22 0.00 0.00 39.33 39.72 3sqc h ASP 106 CO 0.00 1.08 0.42 -0.62 -1.72 0.00 0.00 179.24 178.40 3sqc n GLU 107 N -3.94 1.94 -0.34 3.56 1.02 -1.05 -4.63 120.64 117.19 3sqc n GLU 107 Ca -0.04 0.68 -0.02 0.00 -0.02 0.00 0.00 57.16 57.77 3sqc n GLU 107 Cb 0.63 -2.23 0.02 0.00 -0.02 0.00 0.00 31.44 29.84 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 0.54 -0.23 -0.29 3.49 -0.58 -1.26 -0.87 120.64 121.44 3sqc n GLU 108 Ca 0.06 1.36 -0.05 0.00 -0.42 0.00 0.00 57.16 58.11 3sqc n GLU 108 Cb 0.36 -2.01 0.07 0.00 -0.57 0.00 0.00 31.44 29.29 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 1.09 -0.21 3.49 0.11 -1.96 -2.76 132.00 131.75 3sqc h PRO 109 Ca 0.29 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 3sqc h PRO 109 Cb 0.51 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 3sqc h PRO 109 CO -0.87 0.77 0.09 0.52 -0.21 0.00 0.00 178.00 178.30 3sqc h MET 110 N 1.10 0.32 0.24 1.05 2.86 -1.31 -2.81 114.93 116.37 3sqc h MET 110 Ca 0.29 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.88 3sqc h MET 110 Cb -0.03 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 3sqc h MET 110 CO -0.05 0.37 -0.33 1.96 1.06 0.00 0.00 176.91 179.92 3sqc h GLN 111 N 0.19 -0.60 -0.91 1.72 1.08 -0.85 -0.07 115.11 115.67 3sqc h GLN 111 Ca 0.07 0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.37 3sqc h GLN 111 Cb 0.17 0.14 -0.06 0.00 -0.05 0.00 0.00 27.48 27.68 3sqc h GLN 111 CO -0.01 -0.40 0.57 0.87 -0.95 0.00 0.00 178.83 178.91 3sqc h LYS 112 N -0.63 1.01 0.37 1.46 1.57 -1.55 0.09 116.57 118.90 3sqc h LYS 112 Ca 0.00 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3sqc h LYS 112 Cb 0.61 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3sqc h LYS 112 CO -0.12 0.67 -0.18 0.00 -0.57 0.00 0.00 179.45 179.26 3sqc h ALA 113 N 1.42 -0.49 -0.78 3.86 0.00 -1.28 -2.72 119.26 119.26 3sqc h ALA 113 Ca 0.39 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.23 3sqc h ALA 113 Cb 0.16 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 3sqc h ALA 113 CO -0.17 -0.65 0.41 1.25 0.00 0.00 0.00 179.25 180.09 3sqc h LEU 114 N -0.73 0.56 -0.99 0.00 6.46 -0.63 -0.85 115.31 119.12 3sqc h LEU 114 Ca -0.05 0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.74 3sqc h LEU 114 Cb 0.50 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 3sqc h LEU 114 CO 0.08 0.30 0.29 0.03 -0.62 0.00 0.00 178.44 178.53 3sqc h ARG 115 N 0.68 1.01 -0.41 1.25 3.08 -0.96 0.25 114.38 119.28 3sqc h ARG 115 Ca 0.39 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 60.19 3sqc h ARG 115 Cb 0.42 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 3sqc h ARG 115 CO -0.28 0.81 -0.07 0.35 -1.07 0.00 0.00 179.97 179.72 3sqc h PHE 116 N 1.00 0.86 0.12 3.04 3.57 -1.01 -1.23 116.94 123.28 3sqc h PHE 116 Ca 0.24 -0.18 0.01 0.00 3.53 0.00 0.00 57.97 61.57 3sqc h PHE 116 Cb 0.17 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3sqc h PHE 116 CO 0.01 0.88 -0.15 0.82 -2.23 0.00 0.00 178.31 177.65 3sqc h ILE 117 N 0.59 0.66 -0.52 1.41 2.04 -0.57 -2.65 117.51 118.48 3sqc h ILE 117 Ca 0.11 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 3sqc h ILE 117 Cb 0.59 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3sqc h ILE 117 CO 0.03 0.00 0.31 1.56 0.00 0.00 0.00 178.15 180.05 3sqc h GLN 118 N -0.31 0.70 0.00 2.37 4.20 -0.90 -0.81 115.11 120.36 3sqc h GLN 118 Ca 0.01 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3sqc h GLN 118 Cb 0.31 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3sqc h GLN 118 CO -0.06 0.50 0.00 -1.13 -0.67 0.00 0.00 178.83 177.47 3sqc n SER 119 N -4.42 0.29 -0.73 1.46 3.41 -0.47 -2.38 113.62 110.77 3sqc n SER 119 Ca 0.05 0.60 0.09 0.00 -0.26 0.00 0.00 58.87 59.35 3sqc n SER 119 Cb 0.08 -0.65 0.07 0.00 -0.26 0.00 0.00 64.21 63.46 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 -1.85 1.54 0.00 4.33 1.13 -0.34 -4.94 117.38 117.26 3sqc n GLN 120 Ca 0.01 -1.58 0.00 0.00 -1.94 0.00 0.00 57.00 53.49 3sqc n GLN 120 Cb 0.11 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.11 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 1.03 0.63 7.00 1.08 0.00 -1.00 -4.37 105.19 109.56 3sqc n GLY 121 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.46 0.44 0.43 -0.02 0.00 -1.04 -3.85 105.19 99.69 3sqc n GLY 122 Ca 0.00 -0.81 0.24 0.00 0.00 0.00 0.00 46.02 45.45 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 0.57 0.00 -0.61 -0.00 -1.58 -2.23 117.51 113.66 3sqc h ILE 123 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 64.86 64.76 3sqc h ILE 123 Cb 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 36.82 37.08 3sqc h ILE 123 CO 0.00 0.05 0.00 -0.62 -0.00 0.00 0.00 178.15 177.58 3sqc n GLU 124 N -4.47 0.13 0.00 2.19 -0.58 -1.25 -2.77 120.64 113.89 3sqc n GLU 124 Ca 0.22 0.30 0.12 0.00 -0.42 0.00 0.00 57.16 57.38 3sqc n GLU 124 Cb 0.87 -1.72 0.23 0.00 -0.57 0.00 0.00 31.44 30.25 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 -1.96 1.48 -4.86 1.62 7.64 -0.84 -4.57 113.62 112.14 3sqc n SER 125 Ca 0.03 -1.19 -0.31 0.00 1.01 0.00 0.00 58.87 58.41 3sqc n SER 125 Cb 0.25 0.26 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 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 -2.46 6.47 1.13 6.43 1.04 -1.12 -4.67 113.70 120.53 3sqc s SER 126 Ca 0.23 1.45 -0.13 0.00 0.48 0.00 0.00 55.95 57.97 3sqc s SER 126 Cb 0.19 -2.46 0.25 0.00 0.10 0.00 0.00 66.02 64.10 3sqc s SER 126 CO 0.53 -0.66 0.94 -2.11 0.98 0.00 0.00 173.24 172.92 3sqc n ARG 127 N -1.95 -2.09 0.06 4.02 1.85 -1.26 -4.78 116.66 112.50 3sqc n ARG 127 Ca 0.06 -0.57 -0.11 0.00 -1.00 0.00 0.00 57.85 56.22 3sqc n ARG 127 Cb 0.54 -2.15 -0.06 0.00 -1.05 0.00 0.00 32.46 29.74 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 -2.52 0.78 -0.67 8.89 2.07 -1.93 -2.90 116.25 119.98 3sqc h VAL 128 Ca -0.58 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.08 3sqc h VAL 128 Cb 1.33 0.78 -0.12 0.00 -1.52 0.00 0.00 31.29 31.76 3sqc h VAL 128 CO 0.47 0.00 -0.08 -0.26 0.02 0.00 0.00 177.57 177.72 3sqc h PHE 129 N -0.16 -0.19 -0.49 1.57 0.04 -1.92 0.24 116.94 116.03 3sqc h PHE 129 Ca 0.03 0.05 0.01 0.00 2.80 0.00 0.00 57.97 60.86 3sqc h PHE 129 Cb 0.19 0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.51 3sqc h PHE 129 CO -0.14 -0.24 0.33 1.15 -0.60 0.00 0.00 178.31 178.80 3sqc h THR 130 N 0.05 1.12 -0.22 -1.55 2.02 -1.89 0.19 112.91 112.64 3sqc h THR 130 Ca 0.34 -0.23 -0.11 0.00 0.77 0.00 0.00 66.41 67.19 3sqc h THR 130 Cb 0.56 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3sqc h THR 130 CO -0.63 0.12 -0.33 0.03 0.37 0.00 0.00 175.52 175.07 3sqc h ARG 131 N 0.66 0.45 -0.05 6.66 3.08 -0.98 -2.40 114.38 121.81 3sqc h ARG 131 Ca 0.18 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3sqc h ARG 131 Cb -0.07 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3sqc h ARG 131 CO -0.04 0.73 0.01 1.98 -1.07 0.00 0.00 179.97 181.58 3sqc h MET 132 N 0.39 0.09 -0.98 0.04 4.05 0.16 0.33 114.93 119.01 3sqc h MET 132 Ca 0.05 -0.02 0.09 0.00 -0.28 0.00 0.00 59.70 59.53 3sqc h MET 132 Cb 0.77 -0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 31.49 3sqc h MET 132 CO 0.06 0.33 0.62 -1.49 0.23 0.00 0.00 176.91 176.66 3sqc h TRP 133 N -0.16 1.14 -0.13 1.39 4.06 -0.58 0.28 115.95 121.94 3sqc h TRP 133 Ca 0.02 0.03 -0.15 0.00 2.06 0.00 0.00 58.89 60.85 3sqc h TRP 133 Cb 0.28 -0.37 -0.01 0.00 -1.00 0.00 0.00 29.16 28.07 3sqc h TRP 133 CO 0.02 0.52 -0.56 -0.07 -3.56 0.00 0.00 178.44 174.79 3sqc h LEU 134 N 1.05 0.45 -0.38 -4.49 3.38 -1.08 -2.77 115.31 111.47 3sqc h LEU 134 Ca 0.46 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3sqc h LEU 134 Cb 0.33 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3sqc h LEU 134 CO -0.22 0.91 0.13 0.00 0.09 0.00 0.00 178.44 179.35 3sqc h ALA 135 N 1.10 0.50 -0.87 1.53 0.00 0.13 0.17 119.26 121.81 3sqc h ALA 135 Ca 0.00 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.90 3sqc h ALA 135 Cb 1.07 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 3sqc h ALA 135 CO 0.10 0.13 0.48 -0.07 0.00 0.00 0.00 179.25 179.88 3sqc h LEU 136 N 0.47 0.61 -0.50 0.00 3.38 -0.32 0.21 115.31 119.16 3sqc h LEU 136 Ca 0.13 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3sqc h LEU 136 Cb 0.23 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3sqc h LEU 136 CO -0.01 0.27 0.00 0.55 0.09 0.00 0.00 178.44 179.34 3sqc n VAL 137 N -4.82 0.01 -1.33 1.22 3.14 -1.02 -0.39 118.33 115.13 3sqc n VAL 137 Ca 0.17 -0.13 -0.02 0.00 -2.96 0.00 0.00 64.34 61.40 3sqc n VAL 137 Cb 0.42 0.02 -0.01 0.00 -1.06 0.00 0.00 33.84 33.22 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 1.08 0.47 0.02 7.55 0.00 0.73 -3.51 105.19 111.53 3sqc n GLY 138 Ca 0.21 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.46 0.58 -4.38 1.61 -0.58 0.48 -4.91 120.64 110.96 3sqc n GLU 139 Ca -0.02 -0.14 -0.19 0.00 -0.42 0.00 0.00 57.16 56.39 3sqc n GLU 139 Cb 0.19 -1.56 -0.14 0.00 -0.57 0.00 0.00 31.44 29.36 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 -3.44 0.88 0.09 -0.32 5.04 -1.20 -4.93 117.35 113.47 3sqc s TYR 140 Ca -0.05 -0.19 -0.31 0.00 -2.44 0.00 0.00 57.07 54.08 3sqc s TYR 140 Cb 0.14 -0.56 -0.08 0.00 0.35 0.00 0.00 41.96 41.80 3sqc s TYR 140 CO 0.89 -0.01 1.56 -1.25 -1.34 0.00 0.00 175.55 175.39 3sqc s PRO 141 N -0.34 4.23 0.35 4.97 0.04 -1.26 -4.01 135.00 138.98 3sqc s PRO 141 Ca 0.03 2.25 0.08 0.00 0.04 0.00 0.00 61.00 63.40 3sqc s PRO 141 Cb -0.04 -3.42 0.79 0.00 0.04 0.00 0.00 34.50 31.86 3sqc s PRO 141 CO -0.00 -0.63 1.88 -1.49 0.04 0.00 0.00 177.00 176.79 3sqc h TRP 142 N 7.62 0.83 0.00 0.56 4.06 -1.96 -2.66 115.95 124.40 3sqc h TRP 142 Ca -0.42 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.55 3sqc h TRP 142 Cb 1.20 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 29.10 3sqc h TRP 142 CO 0.72 0.33 0.00 -0.85 -3.56 0.00 0.00 178.44 175.08 3sqc n GLU 143 N -4.55 0.02 -0.02 0.49 0.00 -1.26 -1.56 120.64 113.75 3sqc n GLU 143 Ca 0.17 0.36 0.11 0.00 0.00 0.00 0.00 57.16 57.80 3sqc n GLU 143 Cb 0.43 -1.50 0.10 0.00 0.00 0.00 0.00 31.44 30.47 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 -1.44 2.06 -3.57 3.44 5.02 -1.00 -4.89 118.16 117.78 3sqc n LYS 144 Ca 0.02 -1.84 -0.37 0.00 -2.02 0.00 0.00 58.31 54.09 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 5.30 -0.14 -0.18 1.01 -0.60 -5.04 120.40 119.00 3sqc s VAL 145 Ca 0.27 0.28 -0.37 0.00 0.00 0.00 0.00 61.98 62.15 3sqc s VAL 145 Cb 0.18 -3.56 -0.14 0.00 0.00 0.00 0.00 36.38 32.86 3sqc s VAL 145 CO 0.27 0.28 1.72 -2.65 0.00 0.00 0.00 175.10 174.72 3sqc n PRO 146 N 4.70 1.56 -2.51 2.72 -0.02 -1.26 -4.93 135.00 135.26 3sqc n PRO 146 Ca -0.13 0.57 -0.36 0.00 -2.02 0.00 0.00 63.50 61.55 3sqc n PRO 146 Cb 0.52 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.66 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 3.10 4.08 -0.21 -0.52 -1.94 -1.26 -4.80 119.30 117.75 3sqc s MET 147 Ca 0.93 1.53 -0.04 0.00 -1.71 0.00 0.00 55.69 56.41 3sqc s MET 147 Cb -0.90 -2.49 0.07 0.00 2.01 0.00 0.00 34.83 33.52 3sqc s MET 147 CO 0.57 -0.22 0.08 0.08 -0.01 0.00 0.00 175.02 175.52 3sqc s VAL 148 N -1.67 0.17 0.27 -6.03 1.01 -1.26 -4.90 120.40 107.99 3sqc s VAL 148 Ca 0.59 -0.49 -0.21 0.00 0.00 0.00 0.00 61.98 61.88 3sqc s VAL 148 Cb -0.22 -0.87 -0.09 0.00 0.00 0.00 0.00 36.38 35.20 3sqc s VAL 148 CO 0.28 -0.38 0.79 -2.16 0.00 0.00 0.00 175.10 173.63 3sqc s PRO 149 N 2.01 4.29 0.59 2.72 0.04 -1.26 -4.35 135.00 139.04 3sqc s PRO 149 Ca 0.03 0.96 0.34 0.00 0.04 0.00 0.00 61.00 62.37 3sqc s PRO 149 Cb -0.16 -2.77 1.88 0.00 0.04 0.00 0.00 34.50 33.49 3sqc s PRO 149 CO -0.15 0.32 2.23 -1.00 0.04 0.00 0.00 177.00 178.43 3sqc h PRO 150 N 3.13 0.00 0.00 0.56 0.13 -1.93 -1.76 132.00 132.13 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 -0.13 0.86 3.07 -1.91 -0.79 114.58 115.68 3sqc h GLU 151 Ca -0.00 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.90 3sqc h GLU 151 Cb 0.12 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 3sqc h GLU 151 CO 0.00 0.00 0.23 0.97 -1.40 0.00 0.00 179.01 178.82 3sqc h ILE 152 N 0.00 0.26 0.00 3.13 2.10 -1.72 0.75 117.51 122.03 3sqc h ILE 152 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.93 3sqc h ILE 152 Cb 0.04 0.80 -0.00 0.00 -1.09 0.00 0.00 36.82 36.57 3sqc h ILE 152 CO 0.00 0.00 -0.04 0.24 -1.08 0.00 0.00 178.15 177.27 3sqc h MET 153 N 0.00 0.00 0.00 2.19 2.86 -1.37 -2.61 114.93 115.99 3sqc h MET 153 Ca 0.06 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 3sqc h MET 153 Cb 0.52 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 3sqc h MET 153 CO -0.00 0.04 -0.38 0.74 1.06 0.00 0.00 176.91 178.37 3sqc h PHE 154 N 0.00 0.00 -2.44 -0.22 0.04 -1.07 -3.45 116.94 109.80 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 0.14 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.29 3sqc h PHE 154 CO 0.00 0.38 1.19 -0.51 -0.60 0.00 0.00 178.31 178.78 3sqc s LEU 155 N -6.71 4.35 1.12 1.54 1.43 -0.99 -4.98 118.68 114.44 3sqc s LEU 155 Ca 0.02 2.48 -0.16 0.00 -1.03 0.00 0.00 54.13 55.44 3sqc s LEU 155 Cb 0.09 -3.53 0.25 0.00 0.03 0.00 0.00 46.19 43.03 3sqc s LEU 155 CO 0.70 -1.05 1.11 -0.83 0.23 0.00 0.00 176.35 176.51 3sqc s GLY 156 N 4.21 1.58 0.25 -3.19 0.00 -1.26 -4.65 107.32 104.25 3sqc s GLY 156 Ca 0.84 -0.74 -0.04 0.00 0.00 0.00 0.00 44.72 44.78 3sqc s GLY 156 CO 0.37 0.04 1.68 0.50 0.00 0.00 0.00 173.10 175.69 3sqc h LYS 157 N -2.30 0.24 -0.01 2.90 1.57 -1.99 -2.59 116.57 114.39 3sqc h LYS 157 Ca -0.49 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3sqc h LYS 157 Cb 1.31 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3sqc h LYS 157 CO 0.44 0.16 -0.38 2.89 -0.57 0.00 0.00 179.45 181.98 3sqc n ARG 158 N -5.18 0.94 -2.44 3.15 0.00 -1.26 -4.94 116.66 106.94 3sqc n ARG 158 Ca 0.15 -0.67 -0.41 0.00 -0.00 0.00 0.00 57.85 56.92 3sqc n ARG 158 Cb 0.49 -1.49 -0.04 0.00 -0.00 0.00 0.00 32.46 31.42 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 -2.52 4.58 0.40 2.89 -1.94 -0.98 -4.99 119.30 116.74 3sqc s MET 159 Ca 0.21 1.83 -0.27 0.00 -1.71 0.00 0.00 55.69 55.75 3sqc s MET 159 Cb 0.19 -3.21 -0.10 0.00 2.01 0.00 0.00 34.83 33.71 3sqc s MET 159 CO 0.56 0.09 1.38 -0.35 -0.01 0.00 0.00 175.02 176.69 3sqc n PRO 160 N 1.68 2.26 -0.99 2.03 -0.04 -1.26 -2.49 135.00 136.20 3sqc n PRO 160 Ca 0.01 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 3sqc n PRO 160 Cb 0.45 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 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 0.27 0.44 -4.76 1.53 4.77 -1.26 -5.01 117.00 112.97 3sqc n LEU 161 Ca 0.04 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.68 3sqc n LEU 161 Cb 0.39 -1.35 0.03 0.00 -2.33 0.00 0.00 43.42 40.16 3sqc n LEU 161 CO 0.61 -0.43 0.79 0.54 -1.33 0.00 0.00 177.39 177.57 3sqc s ASN 162 N -2.02 5.33 0.63 -1.43 2.20 -1.04 -4.88 114.94 113.73 3sqc s ASN 162 Ca 0.00 2.19 0.28 0.00 -0.94 0.00 0.00 52.86 54.39 3sqc s ASN 162 Cb 0.00 -2.58 1.51 0.00 -2.00 0.00 0.00 41.25 38.18 3sqc s ASN 162 CO 0.00 -1.49 1.88 0.16 -2.94 0.00 0.00 177.10 174.71 3sqc h ILE 163 N 0.71 0.16 -0.08 0.54 3.07 -1.82 -1.66 117.51 118.44 3sqc h ILE 163 Ca -0.49 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.92 3sqc h ILE 163 Cb 1.27 0.62 0.00 0.00 -0.27 0.00 0.00 36.82 38.44 3sqc h ILE 163 CO 0.55 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 176.43 3sqc n TYR 164 N -3.24 0.10 0.77 0.16 4.01 -1.26 -2.83 117.16 114.87 3sqc n TYR 164 Ca 0.03 -0.05 0.11 0.00 -0.16 0.00 0.00 57.90 57.82 3sqc n TYR 164 Cb 0.53 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.52 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 -0.31 0.15 -2.80 -0.72 1.02 -0.62 -4.93 120.64 112.43 3sqc n GLU 165 Ca 0.06 -0.03 -0.26 0.00 -0.02 0.00 0.00 57.16 56.92 3sqc n GLU 165 Cb 0.09 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 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 -3.11 3.44 0.60 -0.32 0.40 -1.13 -4.64 117.98 113.22 3sqc s PHE 166 Ca 0.05 0.60 -0.14 0.00 -0.60 0.00 0.00 56.93 56.84 3sqc s PHE 166 Cb 0.16 -2.30 -0.03 0.00 0.51 0.00 0.00 43.02 41.35 3sqc s PHE 166 CO 0.83 -0.31 1.04 0.20 0.70 0.00 0.00 175.22 177.69 3sqc s GLY 167 N -4.15 1.96 0.17 4.36 0.00 0.79 -4.73 107.32 105.73 3sqc s GLY 167 Ca 0.47 0.24 -0.22 0.00 0.00 0.00 0.00 44.72 45.20 3sqc s GLY 167 CO 0.42 0.54 1.39 1.44 0.00 0.00 0.00 173.10 176.89 3sqc n SER 168 N -2.27 -0.78 -0.30 1.64 7.64 -1.26 -0.97 113.62 117.32 3sqc n SER 168 Ca 0.08 1.58 0.01 0.00 1.01 0.00 0.00 58.87 61.55 3sqc n SER 168 Cb 0.53 -0.28 0.14 0.00 -1.01 0.00 0.00 64.21 63.60 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 0.94 -0.18 1.43 0.09 -1.95 -3.03 115.95 113.25 3sqc h TRP 169 Ca 0.22 0.03 -0.12 0.00 0.09 0.00 0.00 58.89 59.11 3sqc h TRP 169 Cb 0.45 -0.30 0.00 0.00 0.08 0.00 0.00 29.16 29.38 3sqc h TRP 169 CO -0.86 0.47 -0.36 0.00 0.09 0.00 0.00 178.44 177.78 3sqc h ALA 170 N 1.40 0.28 -0.74 0.11 0.00 -1.36 -3.28 119.26 115.68 3sqc h ALA 170 Ca 0.37 -0.44 0.09 0.00 0.00 0.00 0.00 54.91 54.93 3sqc h ALA 170 Cb 0.19 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 17.82 3sqc h ALA 170 CO -0.18 0.36 -0.50 -0.09 0.00 0.00 0.00 179.25 178.83 3sqc h ARG 171 N 0.22 -0.15 -0.47 0.00 2.43 -0.98 0.47 114.38 115.88 3sqc h ARG 171 Ca 0.01 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 3sqc h ARG 171 Cb 0.96 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 3sqc h ARG 171 CO 0.08 -0.10 -0.06 0.00 -1.51 0.00 0.00 179.97 178.38 3sqc h ALA 172 N 0.55 1.01 -0.52 2.80 0.00 -1.69 -2.06 119.26 119.35 3sqc h ALA 172 Ca 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3sqc h ALA 172 Cb 0.53 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3sqc h ALA 172 CO -0.79 0.60 0.25 1.15 0.00 0.00 0.00 179.25 180.46 3sqc h THR 173 N 0.76 1.20 0.47 0.00 2.02 -1.39 -0.18 112.91 115.79 3sqc h THR 173 Ca 0.14 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 3sqc h THR 173 Cb 0.54 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3sqc h THR 173 CO 0.03 0.22 -0.24 0.58 0.37 0.00 0.00 175.52 176.48 3sqc h VAL 174 N 0.70 0.51 -0.14 3.16 2.07 -0.73 0.15 116.25 121.98 3sqc h VAL 174 Ca 0.18 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.74 3sqc h VAL 174 Cb 0.11 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3sqc h VAL 174 CO -0.02 0.00 -0.13 0.58 0.02 0.00 0.00 177.57 178.01 3sqc h VAL 175 N -0.65 0.63 -0.51 2.57 2.07 -1.24 0.25 116.25 119.37 3sqc h VAL 175 Ca -0.06 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.47 3sqc h VAL 175 Cb 0.51 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3sqc h VAL 175 CO 0.10 0.00 0.32 0.00 0.02 0.00 0.00 177.57 178.01 3sqc h ALA 176 N 0.93 0.65 -0.26 1.67 0.00 -0.94 -2.78 119.26 118.53 3sqc h ALA 176 Ca 0.09 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3sqc h ALA 176 Cb 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3sqc h ALA 176 CO -0.23 0.05 -0.20 -0.07 0.00 0.00 0.00 179.25 178.80 3sqc h LEU 177 N 0.65 0.46 -1.80 0.00 3.38 -0.09 -2.74 115.31 115.16 3sqc h LEU 177 Ca 0.19 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3sqc h LEU 177 Cb -0.03 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3sqc h LEU 177 CO -0.06 0.67 0.22 0.77 0.09 0.00 0.00 178.44 180.13 3sqc h SER 178 N 0.42 0.22 -0.18 -0.43 4.64 -0.24 0.50 113.55 118.48 3sqc h SER 178 Ca 0.07 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.21 3sqc h SER 178 Cb 0.58 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.63 3sqc h SER 178 CO 0.04 0.15 -0.59 0.40 -0.87 0.00 0.00 176.83 175.96 3sqc h ILE 179 N 0.25 1.30 -0.33 0.95 2.04 -1.48 -1.30 117.51 118.95 3sqc h ILE 179 Ca 0.14 -1.81 -0.07 0.00 1.00 0.00 0.00 64.86 64.12 3sqc h ILE 179 Cb 0.25 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 3sqc h ILE 179 CO -0.03 0.57 -0.07 0.58 0.00 0.00 0.00 178.15 179.20 3sqc h VAL 180 N 0.43 1.28 -0.36 1.67 2.07 -1.02 -2.94 116.25 117.38 3sqc h VAL 180 Ca -0.02 -1.11 -0.08 0.00 0.82 0.00 0.00 66.70 66.30 3sqc h VAL 180 Cb 1.21 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 3sqc h VAL 180 CO 0.13 0.36 -0.12 -0.03 0.02 0.00 0.00 177.57 177.93 3sqc h MET 181 N 0.42 0.62 -0.30 1.57 4.05 -0.10 -0.89 114.93 120.29 3sqc h MET 181 Ca 0.09 -0.19 -0.00 0.00 -0.28 0.00 0.00 59.70 59.31 3sqc h MET 181 Cb 0.56 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 3sqc h MET 181 CO 0.03 0.73 0.19 1.03 0.23 0.00 0.00 176.91 179.11 3sqc h SER 182 N 0.57 0.35 0.00 1.39 0.87 -1.07 -2.97 113.55 112.70 3sqc h SER 182 Ca 0.10 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3sqc h SER 182 Cb 0.54 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 3sqc h SER 182 CO 0.03 0.27 -1.06 0.54 -0.53 0.00 0.00 176.83 176.08 3sqc n ARG 183 N -4.48 0.91 -3.65 2.24 5.12 -0.99 -5.03 116.66 110.78 3sqc n ARG 183 Ca 0.01 -0.04 -0.22 0.00 -1.93 0.00 0.00 57.85 55.68 3sqc n ARG 183 Cb 0.08 -1.38 0.01 0.00 -1.16 0.00 0.00 32.46 30.01 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 -1.58 -0.71 -2.10 5.56 6.02 -0.37 -4.90 117.38 119.31 3sqc n GLN 184 Ca 0.02 0.09 -0.31 0.00 -0.01 0.00 0.00 57.00 56.79 3sqc n GLN 184 Cb 0.33 -1.16 -0.00 0.00 1.02 0.00 0.00 30.24 30.42 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 -5.31 3.70 -0.05 -1.09 0.04 -1.26 -5.09 135.00 125.94 3sqc s PRO 185 Ca 0.17 0.77 0.01 0.00 0.04 0.00 0.00 61.00 61.98 3sqc s PRO 185 Cb -0.09 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.35 3sqc s PRO 185 CO 0.56 -0.45 -0.04 0.08 0.04 0.00 0.00 177.00 177.20 3sqc s VAL 186 N -2.97 0.51 -0.57 -0.36 1.01 -1.26 -4.57 120.40 112.19 3sqc s VAL 186 Ca 0.56 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.47 3sqc s VAL 186 Cb -0.11 -0.56 0.14 0.00 0.00 0.00 0.00 36.38 35.85 3sqc s VAL 186 CO 0.46 0.23 0.34 -0.36 0.00 0.00 0.00 175.10 175.78 3sqc s PHE 187 N 1.13 3.29 0.37 5.22 0.08 0.47 -4.96 117.98 123.59 3sqc s PHE 187 Ca -0.08 -2.97 -0.25 0.00 0.12 0.00 0.00 56.93 53.75 3sqc s PHE 187 Cb -0.14 -3.00 -0.12 0.00 -0.57 0.00 0.00 43.02 39.20 3sqc s PHE 187 CO -0.01 -0.79 0.98 -2.30 -0.10 0.00 0.00 175.22 173.00 3sqc n PRO 188 N 3.27 1.31 -3.19 0.24 -0.02 -1.25 -4.30 135.00 131.07 3sqc n PRO 188 Ca 0.06 0.47 -0.28 0.00 -2.02 0.00 0.00 63.50 61.73 3sqc n PRO 188 Cb 0.35 -1.94 -0.02 0.00 -0.02 0.00 0.00 33.50 31.87 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 -0.01 3.96 0.47 2.45 1.43 -1.23 -5.02 118.68 120.73 3sqc s LEU 189 Ca 0.61 0.75 -0.23 0.00 -1.03 0.00 0.00 54.13 54.23 3sqc s LEU 189 Cb -0.61 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 41.94 3sqc s LEU 189 CO 0.58 -0.29 1.26 -2.16 0.23 0.00 0.00 176.35 175.97 3sqc s PRO 190 N -3.88 3.63 0.47 1.29 0.04 -1.26 -4.86 135.00 130.43 3sqc s PRO 190 Ca 0.45 2.01 0.33 0.00 0.04 0.00 0.00 61.00 63.83 3sqc s PRO 190 Cb -0.10 -2.46 1.44 0.00 0.04 0.00 0.00 34.50 33.42 3sqc s PRO 190 CO 0.33 -0.72 1.67 0.93 0.04 0.00 0.00 177.00 179.25 3sqc h GLU 191 N 2.05 0.11 -0.40 4.56 5.08 -2.00 -0.16 114.58 123.81 3sqc h GLU 191 Ca -0.50 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 57.80 3sqc h GLU 191 Cb 1.26 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 3sqc h GLU 191 CO 0.60 0.07 0.01 -0.09 -1.00 0.00 0.00 179.01 178.61 3sqc h ARG 192 N 0.11 0.63 -0.48 2.33 2.43 -1.99 -3.16 114.38 114.26 3sqc h ARG 192 Ca 0.75 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.78 3sqc h ARG 192 Cb 2.53 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.99 3sqc h ARG 192 CO -0.26 0.64 0.00 0.00 -1.51 0.00 0.00 179.97 178.85 3sqc n ALA 193 N -2.47 2.43 -1.76 2.80 0.00 -0.08 -4.98 120.51 116.45 3sqc n ALA 193 Ca 0.02 -0.96 -0.38 0.00 0.00 0.00 0.00 53.44 52.12 3sqc n ALA 193 Cb 0.26 -0.95 0.02 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.37 3.43 -0.49 0.00 1.81 -1.20 -4.67 118.95 116.47 3sqc s ARG 194 Ca 0.39 2.17 0.06 0.00 -1.72 0.00 0.00 55.73 56.63 3sqc s ARG 194 Cb 0.21 -2.40 0.39 0.00 -0.45 0.00 0.00 34.95 32.69 3sqc s ARG 194 CO 0.28 -0.94 1.02 1.33 -0.68 0.00 0.00 175.30 176.32 3sqc n VAL 195 N -0.67 2.49 0.30 3.52 0.24 -1.26 -4.85 118.33 118.10 3sqc n VAL 195 Ca 0.08 -5.09 0.17 0.00 -2.04 0.00 0.00 64.34 57.45 3sqc n VAL 195 Cb 0.45 -1.19 0.92 0.00 -1.47 0.00 0.00 33.84 32.55 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 2.78 0.00 0.00 7.34 0.13 -1.95 -2.78 132.00 137.52 3sqc h PRO 196 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 3sqc h PRO 196 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3sqc h PRO 196 CO 0.81 0.04 0.06 -0.85 -0.23 0.00 0.00 178.00 177.82 3sqc n GLU 197 N -3.49 0.08 0.19 0.86 0.00 -1.26 -1.51 120.64 115.51 3sqc n GLU 197 Ca -0.02 0.56 0.13 0.00 0.00 0.00 0.00 57.16 57.83 3sqc n GLU 197 Cb 0.15 -1.82 0.30 0.00 0.00 0.00 0.00 31.44 30.07 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 0.02 -1.84 3.38 -1.92 -3.10 115.31 111.85 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 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3sqc h LEU 198 CO 0.00 0.00 -1.64 1.88 0.09 0.00 0.00 178.44 178.77 3sqc h TYR 199 N 0.00 0.07 -0.28 1.13 0.05 -1.52 -1.44 116.97 114.99 3sqc h TYR 199 Ca 0.00 -0.05 -0.04 0.00 0.05 0.00 0.00 58.73 58.68 3sqc h TYR 199 Cb 0.85 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.58 3sqc h TYR 199 CO 0.00 1.10 0.12 -1.21 -1.05 0.00 0.00 178.16 177.12 3sqc s GLU 200 N -2.61 1.51 -0.22 4.88 2.02 -1.17 -4.82 118.70 118.29 3sqc s GLU 200 Ca -0.06 -0.01 -0.20 0.00 0.02 0.00 0.00 54.97 54.72 3sqc s GLU 200 Cb 0.08 -4.90 0.06 0.00 0.10 0.00 0.00 34.13 29.47 3sqc s GLU 200 CO 0.82 -4.82 0.59 0.99 0.02 0.00 0.00 175.26 172.86 3sqc s THR 201 N 15.32 -0.00 -0.13 3.63 2.01 -1.26 -4.87 115.64 130.34 3sqc s THR 201 Ca 0.86 0.00 0.17 0.00 0.31 0.00 0.00 61.69 63.03 3sqc s THR 201 Cb -0.09 -0.82 -0.14 0.00 0.01 0.00 0.00 72.50 71.46 3sqc s THR 201 CO 0.12 0.00 0.79 -0.90 -0.69 0.00 0.00 174.62 173.94 3sqc n ASP 202 N 2.91 0.78 -4.76 3.53 5.75 -1.26 -4.93 116.55 118.58 3sqc n ASP 202 Ca -0.14 0.34 -0.41 0.00 -0.01 0.00 0.00 54.79 54.56 3sqc n ASP 202 Cb 0.56 0.29 -0.01 0.00 -1.03 0.00 0.00 41.12 40.93 3sqc n ASP 202 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3sqc s VAL 203 N -2.96 2.00 0.15 2.12 1.01 -1.26 -4.94 120.40 116.52 3sqc s VAL 203 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 61.98 61.64 3sqc s VAL 203 Cb 0.09 -3.00 -0.08 0.00 0.00 0.00 0.00 36.38 33.38 3sqc s VAL 203 CO 0.81 0.00 1.38 -2.16 0.00 0.00 0.00 175.10 175.14 3sqc s PRO 204 N -0.79 4.33 0.01 2.72 0.04 -1.26 -4.48 135.00 135.56 3sqc s PRO 204 Ca 0.62 2.10 -0.30 0.00 0.04 0.00 0.00 61.00 63.45 3sqc s PRO 204 Cb -0.48 -3.22 -0.07 0.00 0.04 0.00 0.00 34.50 30.77 3sqc s PRO 204 CO 0.51 -0.40 1.64 -1.25 0.04 0.00 0.00 177.00 177.55 3sqc s PRO 205 N 0.70 4.20 -0.93 0.56 0.04 -1.26 -4.60 135.00 133.71 3sqc s PRO 205 Ca 0.62 2.24 -0.16 0.00 0.04 0.00 0.00 61.00 63.75 3sqc s PRO 205 Cb -0.37 -3.80 0.18 0.00 0.04 0.00 0.00 34.50 30.55 3sqc s PRO 205 CO 0.33 -0.78 1.01 -0.98 0.04 0.00 0.00 177.00 176.63 3sqc s ARG 206 N 3.32 3.69 0.17 4.56 1.70 -1.26 -4.94 118.95 126.19 3sqc s ARG 206 Ca 0.73 -2.20 -0.30 0.00 -0.47 0.00 0.00 55.73 53.49 3sqc s ARG 206 Cb -0.36 -4.72 -0.08 0.00 -0.57 0.00 0.00 34.95 29.22 3sqc s ARG 206 CO 0.31 -1.55 1.25 0.50 -1.08 0.00 0.00 175.30 174.73 3sqc s ARG 207 N 1.34 4.44 -0.15 3.89 3.52 -1.26 -4.67 118.95 126.06 3sqc s ARG 207 Ca 0.28 1.94 -0.11 0.00 -0.13 0.00 0.00 55.73 57.70 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 -0.18 0.22 0.50 -0.81 0.00 0.00 175.30 174.94 3sqc s ARG 208 N 0.00 3.99 0.47 5.12 3.52 -1.26 -5.10 118.95 125.69 3sqc s ARG 208 Ca 0.55 -0.03 0.04 0.00 -0.13 0.00 0.00 55.73 56.17 3sqc s ARG 208 Cb -0.34 -3.34 0.08 0.00 -1.56 0.00 0.00 34.95 29.79 3sqc s ARG 208 CO 0.36 0.44 0.64 0.41 -0.81 0.00 0.00 175.30 176.34 3sqc n GLY 209 N 2.91 1.43 3.62 8.12 0.00 -1.26 -4.98 105.19 115.03 3sqc n GLY 209 Ca -0.15 -2.12 -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 -2.69 0.18 0.33 4.61 0.00 -1.26 -4.63 120.51 117.05 3sqc n ALA 210 Ca -0.11 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.44 3sqc n ALA 210 Cb 0.43 -2.12 0.70 0.00 0.00 0.00 0.00 19.45 18.45 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 0.36 0.00 -0.16 0.00 1.79 -1.42 -1.99 116.57 115.16 3sqc h LYS 211 Ca -0.49 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 57.82 3sqc h LYS 211 Cb 1.36 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.77 3sqc h LYS 211 CO 0.50 0.00 -0.80 0.41 -1.08 0.00 0.00 179.45 178.48 3sqc n GLY 212 N -1.26 3.51 0.00 3.86 0.00 -0.72 -5.06 105.19 105.53 3sqc n GLY 212 Ca -0.02 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.45 -2.64 3.75 -0.02 0.00 -0.75 -4.84 105.19 100.25 3sqc n GLY 213 Ca 0.17 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.48 2.60 0.06 -0.02 0.00 -1.26 -4.63 107.32 102.59 3sqc s GLY 214 Ca 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 44.72 44.66 3sqc s GLY 214 CO 0.00 0.81 0.38 -0.32 0.00 0.00 0.00 173.10 173.97 3sqc s GLY 215 N -0.02 2.33 0.46 0.20 0.00 -1.26 -4.98 107.32 104.05 3sqc s GLY 215 Ca 0.32 -0.41 0.31 0.00 0.00 0.00 0.00 44.72 44.94 3sqc s GLY 215 CO 0.17 -0.19 1.91 0.11 0.00 0.00 0.00 173.10 175.10 3sqc h TRP 216 N 3.80 0.00 0.38 1.90 5.08 -1.97 -3.09 115.95 122.04 3sqc h TRP 216 Ca -0.49 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.46 3sqc h TRP 216 Cb 1.19 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 3sqc h TRP 216 CO 0.67 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 -0.62 0.12 2.04 -1.99 -0.62 117.51 117.06 3sqc h ILE 217 Ca 0.00 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 3sqc h ILE 217 Cb 0.45 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3sqc h ILE 217 CO 0.00 0.06 0.25 -0.26 0.00 0.00 0.00 178.15 178.21 3sqc h PHE 218 N -0.70 0.90 -0.95 1.37 0.04 -1.92 0.49 116.94 116.17 3sqc h PHE 218 Ca -0.05 -0.05 0.04 0.00 2.80 0.00 0.00 57.97 60.71 3sqc h PHE 218 Cb 0.49 -0.28 -0.06 0.00 2.20 0.00 0.00 35.95 38.31 3sqc h PHE 218 CO -0.01 0.69 0.62 0.22 -0.60 0.00 0.00 178.31 179.23 3sqc h ASP 219 N 0.89 1.02 -0.01 2.17 3.58 -1.45 0.65 116.42 123.28 3sqc h ASP 219 Ca 0.21 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 3sqc h ASP 219 Cb 0.16 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.99 3sqc h ASP 219 CO -0.02 0.70 -0.02 0.00 -2.88 0.00 0.00 179.24 177.01 3sqc h ALA 220 N 1.39 0.01 -0.67 -0.78 0.00 0.29 -2.98 119.26 116.52 3sqc h ALA 220 Ca 0.38 -0.33 0.13 0.00 0.00 0.00 0.00 54.91 55.10 3sqc h ALA 220 Cb 0.02 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.71 3sqc h ALA 220 CO -0.13 -0.15 0.16 1.25 0.00 0.00 0.00 179.25 180.38 3sqc h LEU 221 N -0.60 0.02 -0.08 0.00 5.85 0.40 -0.60 115.31 120.31 3sqc h LEU 221 Ca -0.00 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.88 3sqc h LEU 221 Cb 0.66 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 3sqc h LEU 221 CO 0.00 -0.00 -0.11 -0.78 -0.34 0.00 0.00 178.44 177.21 3sqc h ASP 222 N 0.28 -0.35 -0.24 1.25 3.58 0.28 0.23 116.42 121.44 3sqc h ASP 222 Ca 0.37 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.88 3sqc h ASP 222 Cb 0.58 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 3sqc h ASP 222 CO -0.45 -0.16 0.15 0.03 -2.88 0.00 0.00 179.24 175.93 3sqc h ARG 223 N -0.15 0.34 -0.12 0.28 3.08 -1.10 0.76 114.38 117.46 3sqc h ARG 223 Ca 0.07 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3sqc h ARG 223 Cb 0.25 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 3sqc h ARG 223 CO -0.17 0.24 -0.00 0.00 -1.07 0.00 0.00 179.97 178.96 3sqc h ALA 224 N 1.82 0.16 -0.94 0.04 0.00 -0.23 -1.60 119.26 118.51 3sqc h ALA 224 Ca 0.09 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.90 3sqc h ALA 224 Cb -0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 3sqc h ALA 224 CO -0.02 -0.15 0.60 -0.07 0.00 0.00 0.00 179.25 179.62 3sqc h LEU 225 N -0.07 0.91 -0.83 0.00 3.38 0.11 0.39 115.31 119.20 3sqc h LEU 225 Ca 0.03 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 3sqc h LEU 225 Cb 0.36 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3sqc h LEU 225 CO 0.01 0.56 -0.59 0.45 0.09 0.00 0.00 178.44 178.96 3sqc h HIS 226 N 1.02 0.00 -0.01 1.13 3.86 -0.92 -0.36 115.15 119.87 3sqc h HIS 226 Ca 0.42 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.62 3sqc h HIS 226 Cb 0.29 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 3sqc h HIS 226 CO -0.00 0.59 -0.02 0.78 0.86 0.00 0.00 177.93 180.13 3sqc h GLY 227 N 1.75 0.04 1.27 2.45 0.00 -0.02 -3.04 103.07 105.53 3sqc h GLY 227 Ca -0.01 -0.05 0.08 0.00 0.00 0.00 0.00 47.33 47.36 3sqc h GLY 227 CO 0.08 0.04 0.30 -1.82 0.00 0.00 0.00 176.54 175.14 3sqc h TYR 228 N -0.54 0.24 0.00 5.60 3.20 -0.23 0.81 116.97 126.04 3sqc h TYR 228 Ca -0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3sqc h TYR 228 Cb 0.62 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 3sqc h TYR 228 CO 0.13 0.12 -0.03 1.96 -1.64 0.00 0.00 178.16 178.70 3sqc h GLN 229 N 0.23 0.00 -0.02 1.82 1.08 -0.94 -2.62 115.11 114.66 3sqc h GLN 229 Ca 0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 3sqc h GLN 229 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 3sqc h GLN 229 CO -0.04 0.03 -0.15 1.63 -0.95 0.00 0.00 178.83 179.35 3sqc n LYS 230 N -3.35 1.75 -2.11 1.46 5.02 0.28 -4.95 118.16 116.26 3sqc n LYS 230 Ca -0.02 -1.35 -0.34 0.00 -2.02 0.00 0.00 58.31 54.59 3sqc n LYS 230 Cb 0.16 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 33.71 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 -2.18 3.61 0.32 -0.35 1.43 -0.99 -4.95 118.68 115.57 3sqc s LEU 231 Ca 0.27 2.03 0.13 0.00 -1.03 0.00 0.00 54.13 55.53 3sqc s LEU 231 Cb 0.20 -4.56 0.50 0.00 0.03 0.00 0.00 46.19 42.36 3sqc s LEU 231 CO 0.40 -1.28 1.68 -1.28 0.23 0.00 0.00 176.35 176.10 3sqc h SER 232 N 0.77 0.00 -4.16 2.29 0.87 -1.92 -3.44 113.55 107.95 3sqc h SER 232 Ca -0.48 0.00 -0.47 0.00 -1.23 0.00 0.00 61.79 59.61 3sqc h SER 232 Cb 1.24 0.00 -0.29 0.00 -0.44 0.00 0.00 62.40 62.91 3sqc h SER 232 CO 0.56 0.51 -0.80 0.68 -0.53 0.00 0.00 176.83 177.25 3sqc s VAL 233 N -3.68 1.02 -0.32 2.23 -7.23 -1.26 -5.11 120.40 106.05 3sqc s VAL 233 Ca -0.01 -0.55 -0.01 0.00 -1.81 0.00 0.00 61.98 59.60 3sqc s VAL 233 Cb 0.12 -0.86 0.10 0.00 0.56 0.00 0.00 36.38 36.31 3sqc s VAL 233 CO 0.73 0.29 0.11 -1.00 -0.31 0.00 0.00 175.10 174.92 3sqc s HIS 234 N -0.29 1.72 0.26 2.82 0.09 -1.26 -5.11 115.29 113.52 3sqc s HIS 234 Ca 0.05 -1.78 -0.31 0.00 -0.00 0.00 0.00 55.06 53.02 3sqc s HIS 234 Cb -0.05 -1.72 -0.12 0.00 -0.00 0.00 0.00 32.58 30.69 3sqc s HIS 234 CO -0.00 -0.87 1.66 -0.35 -0.00 0.00 0.00 174.74 175.17 3sqc n PRO 235 N 4.77 2.77 -1.00 8.40 -0.04 -1.26 -2.57 135.00 146.06 3sqc n PRO 235 Ca -0.01 0.99 -0.00 0.00 -0.04 0.00 0.00 63.50 64.44 3sqc n PRO 235 Cb 0.42 -2.81 -0.00 0.00 -0.04 0.00 0.00 33.50 31.07 3sqc n PRO 235 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3sqc n PHE 236 N 2.91 0.00 0.29 0.54 3.72 -1.26 -4.91 117.46 118.75 3sqc n PHE 236 Ca 0.11 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.37 3sqc n PHE 236 Cb 0.36 -1.04 -0.07 0.00 -0.94 0.00 0.00 39.48 37.79 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 0.48 -0.74 -0.63 -1.08 9.65 -1.94 -1.96 114.38 118.16 3sqc h ARG 237 Ca -0.00 0.05 0.16 0.00 -1.10 0.00 0.00 59.98 59.09 3sqc h ARG 237 Cb 0.51 0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 29.23 3sqc h ARG 237 CO 0.00 -0.44 0.44 -0.09 2.80 0.00 0.00 179.97 182.69 3sqc h ARG 238 N -1.06 0.10 -0.15 0.20 2.43 -1.91 0.19 114.38 114.18 3sqc h ARG 238 Ca -0.08 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.92 3sqc h ARG 238 Cb 0.65 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 3sqc h ARG 238 CO 0.13 0.07 -0.59 0.00 -1.51 0.00 0.00 179.97 178.06 3sqc h ALA 239 N 1.69 0.69 -0.22 2.80 0.00 -1.94 -2.69 119.26 119.59 3sqc h ALA 239 Ca 0.30 -0.53 -0.18 0.00 0.00 0.00 0.00 54.91 54.50 3sqc h ALA 239 Cb 1.05 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3sqc h ALA 239 CO -0.03 0.70 -0.58 0.00 0.00 0.00 0.00 179.25 179.34 3sqc h ALA 240 N 0.98 0.57 -0.21 0.00 0.00 0.11 -2.82 119.26 117.88 3sqc h ALA 240 Ca -0.00 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.40 3sqc h ALA 240 Cb 1.14 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3sqc h ALA 240 CO 0.11 0.69 0.08 0.93 0.00 0.00 0.00 179.25 181.05 3sqc h GLU 241 N 0.53 0.18 -0.96 0.00 5.08 -1.03 -2.36 114.58 116.01 3sqc h GLU 241 Ca 0.00 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3sqc h GLU 241 Cb 1.16 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.32 3sqc h GLU 241 CO 0.12 0.12 0.64 0.82 -1.00 0.00 0.00 179.01 179.70 3sqc h ILE 242 N 0.18 1.22 -0.72 3.13 2.04 -1.49 0.10 117.51 121.97 3sqc h ILE 242 Ca 0.09 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.54 3sqc h ILE 242 Cb 0.05 -0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 35.92 3sqc h ILE 242 CO -0.09 0.23 0.46 0.03 0.00 0.00 0.00 178.15 178.78 3sqc h ARG 243 N 1.28 0.89 -0.05 2.37 2.47 -1.20 0.20 114.38 120.33 3sqc h ARG 243 Ca 0.36 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 59.02 3sqc h ARG 243 Cb -0.10 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 28.01 3sqc h ARG 243 CO -0.09 0.59 0.01 0.00 0.56 0.00 0.00 179.97 181.04 3sqc h ALA 244 N 1.29 0.07 -0.17 0.04 0.00 -0.83 -0.62 119.26 119.05 3sqc h ALA 244 Ca 0.28 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3sqc h ALA 244 Cb -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3sqc h ALA 244 CO -0.09 -0.30 -0.10 1.25 0.00 0.00 0.00 179.25 180.01 3sqc h LEU 245 N -0.14 -0.31 -0.57 0.00 5.85 -0.40 -1.85 115.31 117.89 3sqc h LEU 245 Ca 0.02 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3sqc h LEU 245 Cb 0.25 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3sqc h LEU 245 CO 0.00 -0.13 0.37 0.44 -0.34 0.00 0.00 178.44 178.78 3sqc h ASP 246 N -0.09 0.66 -0.83 1.25 3.32 -0.56 0.29 116.42 120.47 3sqc h ASP 246 Ca 0.10 -0.02 0.13 0.00 0.02 0.00 0.00 57.03 57.25 3sqc h ASP 246 Cb 0.23 -0.16 -0.09 0.00 0.22 0.00 0.00 39.33 39.53 3sqc h ASP 246 CO -0.23 0.48 0.44 -0.25 -1.72 0.00 0.00 179.24 177.96 3sqc h TRP 247 N 0.77 0.78 0.48 4.55 7.01 -0.75 -1.01 115.95 127.76 3sqc h TRP 247 Ca 0.21 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.22 3sqc h TRP 247 Cb -0.08 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 26.77 3sqc h TRP 247 CO -0.03 0.23 -0.23 -0.07 -2.79 0.00 0.00 178.44 175.55 3sqc h LEU 248 N 0.67 -0.54 -1.58 0.65 3.38 -0.45 -2.89 115.31 114.55 3sqc h LEU 248 Ca 0.43 -0.08 0.15 0.00 0.09 0.00 0.00 57.88 58.48 3sqc h LEU 248 Cb 0.54 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 3sqc h LEU 248 CO -0.32 -0.21 0.51 -0.07 0.09 0.00 0.00 178.44 178.44 3sqc h LEU 249 N -0.90 0.38 -0.56 1.67 3.38 -0.57 -1.66 115.31 117.05 3sqc h LEU 249 Ca -0.07 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 3sqc h LEU 249 Cb 0.59 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3sqc h LEU 249 CO 0.11 0.19 -0.65 -0.33 0.09 0.00 0.00 178.44 177.85 3sqc h GLU 250 N 0.40 0.28 -0.31 1.13 5.08 -1.18 -3.31 114.58 116.67 3sqc h GLU 250 Ca 0.38 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3sqc h GLU 250 Cb 0.89 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3sqc h GLU 250 CO -0.12 0.83 0.00 0.54 -1.00 0.00 0.00 179.01 179.26 3sqc n ARG 251 N -3.85 2.34 -1.69 2.33 1.74 -0.66 -4.98 116.66 111.89 3sqc n ARG 251 Ca -0.03 -2.02 -0.44 0.00 -0.77 0.00 0.00 57.85 54.59 3sqc n ARG 251 Cb 0.65 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.57 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 1.25 2.35 -1.36 5.56 7.27 -0.97 -4.72 117.38 126.75 3sqc n GLN 252 Ca 0.18 0.84 -0.30 0.00 0.07 0.00 0.00 57.00 57.79 3sqc n GLN 252 Cb 0.55 -2.61 0.09 0.00 2.41 0.00 0.00 30.24 30.69 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 0.60 2.17 0.29 1.69 0.00 -0.09 -4.93 121.76 121.49 3sqc s ALA 253 Ca 0.73 0.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.75 3sqc s ALA 253 Cb -0.61 -3.20 0.50 0.00 0.00 0.00 0.00 23.12 19.81 3sqc s ALA 253 CO 0.41 -1.79 1.90 0.78 0.00 0.00 0.00 175.76 177.05 3sqc h GLY 254 N -1.14 1.41 1.68 0.00 0.00 -1.84 -1.24 103.07 101.95 3sqc h GLY 254 Ca -0.46 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.44 3sqc h GLY 254 CO 0.55 0.30 0.00 2.09 0.00 0.00 0.00 176.54 179.48 3sqc n ASP 255 N -4.50 0.00 0.00 0.19 5.68 -1.26 -4.85 116.55 111.81 3sqc n ASP 255 Ca 0.15 0.14 0.00 0.00 -0.50 0.00 0.00 54.79 54.58 3sqc n ASP 255 Cb 0.21 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 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 0.32 0.49 0.00 6.12 0.00 -0.47 -4.24 105.19 107.42 3sqc n GLY 256 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.51 1.61 3.41 -1.26 -3.79 113.62 110.08 3sqc n SER 257 Ca 0.00 -0.59 -0.27 0.00 -0.26 0.00 0.00 58.87 57.75 3sqc n SER 257 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 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 0.32 0.25 0.00 7.33 0.51 -1.26 -0.91 118.94 125.18 3sqc s TRP 258 Ca 0.00 -0.88 0.00 0.00 -2.12 0.00 0.00 56.10 53.10 3sqc s TRP 258 Cb 0.00 -0.84 0.00 0.00 -0.81 0.00 0.00 33.47 31.82 3sqc s TRP 258 CO 0.00 -0.84 0.00 0.41 -0.51 0.00 0.00 176.95 176.01 3sqc n GLY 259 N 5.10 1.74 2.25 0.98 0.00 -1.26 -3.75 105.19 110.25 3sqc n GLY 259 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 1.03 3.29 -0.02 0.00 -1.26 -5.01 105.19 101.22 3sqc n GLY 260 Ca 0.00 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.31 1.58 0.15 -0.61 -4.36 -1.25 -4.28 121.20 110.13 3sqc s ILE 261 Ca 0.00 -1.81 -0.10 0.00 -0.26 0.00 0.00 60.65 58.49 3sqc s ILE 261 Cb 0.00 -1.69 -0.05 0.00 1.25 0.00 0.00 42.46 41.97 3sqc s ILE 261 CO 0.00 -0.35 1.47 0.06 0.24 0.00 0.00 174.94 176.36 3sqc h GLN 262 N 3.41 0.86 0.11 0.37 -0.00 -1.69 -3.28 115.11 114.90 3sqc h GLN 262 Ca -0.41 -0.48 0.00 0.00 -0.00 0.00 0.00 58.65 57.75 3sqc h GLN 262 Cb 1.20 0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 28.70 3sqc h GLN 262 CO 0.50 1.12 -0.20 -1.35 -0.00 0.00 0.00 178.83 178.91 3sqc h PRO 263 N 0.69 -0.32 -0.26 0.06 0.11 -1.93 -0.22 132.00 130.13 3sqc h PRO 263 Ca 0.04 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 3sqc h PRO 263 Cb 1.03 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3sqc h PRO 263 CO 0.10 -0.22 0.13 -1.00 -0.21 0.00 0.00 178.00 176.81 3sqc h PRO 264 N -0.34 0.35 -0.49 1.05 0.13 -1.84 -1.33 132.00 129.54 3sqc h PRO 264 Ca -0.01 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3sqc h PRO 264 Cb 0.31 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.35 3sqc h PRO 264 CO -0.07 0.27 0.30 2.35 -0.23 0.00 0.00 178.00 180.61 3sqc h TRP 265 N 0.35 0.64 -0.12 1.56 2.91 -1.54 0.39 115.95 120.13 3sqc h TRP 265 Ca 0.09 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.07 3sqc h TRP 265 Cb 0.03 -0.21 -0.00 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 0.00 178.44 178.48 3sqc h PHE 266 N 0.65 0.34 -0.18 2.65 -1.00 -0.25 -2.40 116.94 116.75 3sqc h PHE 266 Ca 0.18 -0.10 -0.08 0.00 2.81 0.00 0.00 57.97 60.78 3sqc h PHE 266 Cb -0.02 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.45 3sqc h PHE 266 CO -0.03 0.68 -0.23 1.88 -1.61 0.00 0.00 178.31 178.99 3sqc h TYR 267 N -0.09 0.37 -0.31 -0.55 0.05 -1.15 -1.64 116.97 113.65 3sqc h TYR 267 Ca 0.02 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 3sqc h TYR 267 Cb 0.61 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 3sqc h TYR 267 CO 0.08 0.55 0.09 0.00 -1.05 0.00 0.00 178.16 177.83 3sqc h ALA 268 N 1.46 0.40 -0.85 3.88 0.00 -0.20 0.13 119.26 124.08 3sqc h ALA 268 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3sqc h ALA 268 Cb 0.58 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3sqc h ALA 268 CO 0.04 0.04 0.54 -0.07 0.00 0.00 0.00 179.25 179.80 3sqc h LEU 269 N 0.34 1.00 -0.26 0.00 3.38 -1.08 -1.02 115.31 117.66 3sqc h LEU 269 Ca 0.10 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3sqc h LEU 269 Cb 0.25 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3sqc h LEU 269 CO -0.00 0.75 -0.01 0.40 0.09 0.00 0.00 178.44 179.67 3sqc h ILE 270 N 1.16 1.26 -0.53 1.22 2.04 -0.99 -1.78 117.51 119.90 3sqc h ILE 270 Ca 0.31 -0.94 0.07 0.00 1.00 0.00 0.00 64.86 65.30 3sqc h ILE 270 Cb -0.09 1.36 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 3sqc h ILE 270 CO -0.06 0.30 0.20 0.00 0.00 0.00 0.00 178.15 178.58 3sqc h ALA 271 N 0.81 0.66 -0.83 1.87 0.00 -0.44 -1.06 119.26 120.27 3sqc h ALA 271 Ca 0.07 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3sqc h ALA 271 Cb 0.44 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3sqc h ALA 271 CO 0.02 -0.19 0.51 -0.07 0.00 0.00 0.00 179.25 179.51 3sqc h LEU 272 N 0.39 0.98 -0.64 0.00 3.38 -1.02 -2.00 115.31 116.41 3sqc h LEU 272 Ca 0.26 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 3sqc h LEU 272 Cb 0.27 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3sqc h LEU 272 CO -0.25 0.74 0.16 0.50 0.09 0.00 0.00 178.44 179.68 3sqc h LYS 273 N 1.14 1.01 -0.36 1.13 1.63 -0.33 -2.20 116.57 118.59 3sqc h LYS 273 Ca 0.30 -0.24 -0.04 0.00 -0.85 0.00 0.00 60.65 59.82 3sqc h LYS 273 Cb -0.07 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.41 3sqc h LYS 273 CO -0.06 0.91 0.04 0.82 -3.45 0.00 0.00 179.45 177.71 3sqc h ILE 274 N 0.93 1.19 -0.16 2.00 2.04 -0.79 -2.27 117.51 120.45 3sqc h ILE 274 Ca 0.20 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3sqc h ILE 274 Cb 0.35 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3sqc h ILE 274 CO 0.00 0.25 0.00 0.18 0.00 0.00 0.00 178.15 178.58 3sqc n LEU 275 N -4.30 1.58 -0.40 1.44 4.77 -0.79 -4.89 117.00 114.41 3sqc n LEU 275 Ca 0.02 -0.79 -0.05 0.00 -0.03 0.00 0.00 56.01 55.15 3sqc n LEU 275 Cb 0.22 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 3sqc n LEU 275 CO 0.39 0.29 -0.05 0.47 -1.33 0.00 0.00 177.39 177.16 3sqc n ASP 276 N 0.09 -5.64 -1.91 -1.43 8.00 -0.85 -4.86 116.55 109.95 3sqc n ASP 276 Ca 0.06 0.13 -0.18 0.00 0.71 0.00 0.00 54.79 55.51 3sqc n ASP 276 Cb 0.32 -3.59 0.04 0.00 -0.02 0.00 0.00 41.12 37.87 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 -0.16 1.86 0.18 -1.24 2.81 -0.88 -4.49 117.12 115.20 3sqc n MET 277 Ca -0.05 -1.69 0.14 0.00 -1.81 0.00 0.00 57.70 54.28 3sqc n MET 277 Cb 0.51 -1.66 0.51 0.00 -0.71 0.00 0.00 33.22 31.87 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 0.97 0.00 -0.50 2.03 1.35 -1.88 -2.85 112.91 112.03 3sqc h THR 278 Ca 0.32 -0.41 -0.35 0.00 -0.55 0.00 0.00 66.41 65.42 3sqc h THR 278 Cb 0.96 1.28 -0.24 0.00 -1.73 0.00 0.00 68.15 68.42 3sqc h THR 278 CO 0.81 0.00 -0.46 0.00 -0.25 0.00 0.00 175.52 175.63 3sqc n GLN 279 N -2.56 2.67 -4.31 4.72 10.64 -1.26 -4.60 117.38 122.67 3sqc n GLN 279 Ca 0.02 -3.69 -0.34 0.00 -1.83 0.00 0.00 57.00 51.16 3sqc n GLN 279 Cb 0.30 -2.02 -0.09 0.00 -0.86 0.00 0.00 30.24 27.58 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 -3.46 3.17 0.25 2.61 2.46 -1.08 -5.02 115.29 114.23 3sqc s HIS 280 Ca 0.48 0.19 -0.11 0.00 0.47 0.00 0.00 55.06 56.09 3sqc s HIS 280 Cb 0.41 -1.77 0.37 0.00 -0.13 0.00 0.00 32.58 31.46 3sqc s HIS 280 CO -0.00 0.49 1.58 -1.35 -2.47 0.00 0.00 174.74 172.98 3sqc h PRO 281 N 4.91 -0.01 -0.97 2.88 0.11 -1.94 -0.81 132.00 136.17 3sqc h PRO 281 Ca -0.51 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.68 3sqc h PRO 281 Cb 1.19 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.23 3sqc h PRO 281 CO 0.56 -0.00 0.63 0.00 -0.21 0.00 0.00 178.00 178.97 3sqc h ALA 282 N 1.81 1.47 0.41 -0.75 0.00 -1.96 -0.02 119.26 120.22 3sqc h ALA 282 Ca 0.41 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 3sqc h ALA 282 Cb 0.65 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3sqc h ALA 282 CO -0.92 0.37 -0.20 0.35 0.00 0.00 0.00 179.25 178.86 3sqc h PHE 283 N 1.09 -0.51 -0.36 0.00 3.04 -1.41 -0.62 116.94 118.17 3sqc h PHE 283 Ca 0.43 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.42 3sqc h PHE 283 Cb 0.24 0.17 -0.08 0.00 2.56 0.00 0.00 35.95 38.84 3sqc h PHE 283 CO -0.00 -0.19 -0.50 0.82 -2.02 0.00 0.00 178.31 176.42 3sqc h ILE 284 N -0.90 0.05 -0.82 1.41 1.08 -1.17 0.12 117.51 117.29 3sqc h ILE 284 Ca -0.06 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.47 3sqc h ILE 284 Cb 0.56 0.05 -0.06 0.00 -3.07 0.00 0.00 36.82 34.30 3sqc h ILE 284 CO 0.09 0.00 0.50 0.50 -0.69 0.00 0.00 178.15 178.55 3sqc h LYS 285 N -0.40 0.89 -0.37 2.37 1.63 -1.05 -1.97 116.57 117.66 3sqc h LYS 285 Ca 0.10 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.86 3sqc h LYS 285 Cb 0.61 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 32.01 3sqc h LYS 285 CO -0.56 0.59 0.21 0.78 -3.45 0.00 0.00 179.45 177.02 3sqc h GLY 286 N 0.91 0.51 0.88 5.01 0.00 0.39 -1.86 103.07 108.92 3sqc h GLY 286 Ca 0.36 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 3sqc h GLY 286 CO -0.17 0.14 -0.18 -0.25 0.00 0.00 0.00 176.54 176.08 3sqc h TRP 287 N 0.43 -0.47 0.00 5.60 2.91 -0.32 -3.13 115.95 120.98 3sqc h TRP 287 Ca 0.15 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.16 3sqc h TRP 287 Cb 0.01 0.15 0.00 0.00 -0.51 0.00 0.00 29.16 28.82 3sqc h TRP 287 CO -0.08 -0.22 0.00 1.05 -1.03 0.00 0.00 178.44 178.17 3sqc h GLU 288 N -0.63 0.00 0.00 2.65 4.11 -1.36 -2.68 114.58 116.67 3sqc h GLU 288 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 3sqc h GLU 288 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 3sqc h GLU 288 CO 0.08 0.00 -0.03 0.78 0.07 0.00 0.00 179.01 179.92 3sqc h GLY 289 N 1.78 0.00 0.46 1.06 0.00 -1.27 -3.24 103.07 101.85 3sqc h GLY 289 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.45 3sqc h GLY 289 CO 0.00 0.00 0.60 1.41 0.00 0.00 0.00 176.54 178.55 3sqc h LEU 290 N 0.00 0.88 -2.00 3.11 3.38 -1.54 -2.33 115.31 116.81 3sqc h LEU 290 Ca -0.00 0.05 0.21 0.00 0.09 0.00 0.00 57.88 58.23 3sqc h LEU 290 Cb 0.82 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3sqc h LEU 290 CO 0.00 0.46 0.52 -0.33 0.09 0.00 0.00 178.44 179.19 3sqc h GLU 291 N 0.95 0.00 0.00 1.13 4.39 -1.77 -0.57 114.58 118.71 3sqc h GLU 291 Ca 0.49 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 60.11 3sqc h GLU 291 Cb 0.49 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 3sqc h GLU 291 CO -0.27 0.00 -0.38 1.25 -1.16 0.00 0.00 179.01 178.45 3sqc h LEU 292 N 0.00 0.00 0.00 1.33 5.85 -1.66 -2.95 115.31 117.88 3sqc h LEU 292 Ca 0.34 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.06 3sqc h LEU 292 Cb 1.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.42 3sqc h LEU 292 CO -0.00 0.38 -0.60 -1.22 -0.34 0.00 0.00 178.44 176.66 3sqc n TYR 293 N -3.64 0.27 -2.76 1.25 4.02 -0.23 -4.89 117.16 111.17 3sqc n TYR 293 Ca -0.01 0.08 -0.34 0.00 -0.01 0.00 0.00 57.90 57.62 3sqc n TYR 293 Cb 0.49 -0.45 -0.06 0.00 -0.02 0.00 0.00 39.34 39.29 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 -3.35 2.54 -0.02 2.72 0.00 -1.12 -1.22 107.32 106.86 3sqc s GLY 294 Ca 0.08 0.48 0.03 0.00 0.00 0.00 0.00 44.72 45.31 3sqc s GLY 294 CO 0.72 0.82 -0.11 0.14 0.00 0.00 0.00 173.10 174.67 3sqc s VAL 295 N -1.97 0.91 -0.24 1.40 1.01 0.30 -4.94 120.40 116.87 3sqc s VAL 295 Ca 0.59 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 3sqc s VAL 295 Cb -0.13 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 3sqc s VAL 295 CO 0.18 0.27 0.41 -0.70 0.00 0.00 0.00 175.10 175.26 3sqc s GLU 296 N 0.02 4.09 0.04 2.72 2.56 -1.26 -1.19 118.70 125.68 3sqc s GLU 296 Ca -0.01 0.15 -0.11 0.00 0.00 0.00 0.00 54.97 55.00 3sqc s GLU 296 Cb -0.08 -3.61 -0.06 0.00 2.00 0.00 0.00 34.13 32.39 3sqc s GLU 296 CO 0.00 -0.19 0.38 -0.51 -0.56 0.00 0.00 175.26 174.39 3sqc s LEU 297 N 1.79 4.39 0.42 2.70 1.43 -0.40 -4.98 118.68 124.04 3sqc s LEU 297 Ca 0.18 0.82 0.13 0.00 -1.03 0.00 0.00 54.13 54.22 3sqc s LEU 297 Cb -0.15 -2.80 0.99 0.00 0.03 0.00 0.00 46.19 44.26 3sqc s LEU 297 CO 0.09 0.24 1.96 -2.24 0.23 0.00 0.00 176.35 176.62 3sqc h ASP 298 N 4.10 0.42 0.00 2.29 3.04 -1.98 -1.86 116.42 122.44 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 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 39.42 3sqc h ASP 298 CO 0.64 0.25 0.00 0.00 -2.04 0.00 0.00 179.24 178.09 3sqc n TYR 299 N -4.48 0.00 -0.31 4.15 0.18 -1.26 -4.78 117.16 110.66 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 0.39 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.35 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 0.29 0.81 3.25 -7.48 0.00 -0.71 -5.05 105.19 96.31 3sqc n GLY 300 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.24 0.73 3.26 -0.02 0.00 -1.17 -4.38 105.19 101.37 3sqc n GLY 301 Ca 0.00 -2.03 -0.10 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.52 -0.70 0.42 1.61 -0.00 -0.59 -1.27 118.94 115.89 3sqc s TRP 302 Ca 0.55 1.40 0.07 0.00 -0.00 0.00 0.00 56.10 58.12 3sqc s TRP 302 Cb -0.03 0.27 -0.05 0.00 -0.00 0.00 0.00 33.47 33.66 3sqc s TRP 302 CO 0.37 -0.42 0.14 0.00 -0.00 0.00 0.00 176.95 177.04 3sqc s MET 303 N 2.09 2.17 -0.09 5.86 0.23 -0.33 -4.56 119.30 124.67 3sqc s MET 303 Ca -0.05 -1.94 0.01 0.00 -1.03 0.00 0.00 55.69 52.68 3sqc s MET 303 Cb -0.10 -1.89 0.02 0.00 -1.53 0.00 0.00 34.83 31.33 3sqc s MET 303 CO -0.13 -0.14 -0.11 0.12 -2.03 0.00 0.00 175.02 172.74 3sqc s PHE 304 N -2.65 1.48 0.08 3.16 2.19 -1.26 -0.54 117.98 120.44 3sqc s PHE 304 Ca 0.38 -0.63 -0.30 0.00 0.33 0.00 0.00 56.93 56.70 3sqc s PHE 304 Cb 0.05 -1.14 -0.06 0.00 -1.31 0.00 0.00 43.02 40.56 3sqc s PHE 304 CO 0.20 -0.37 1.12 -0.65 1.83 0.00 0.00 175.22 177.35 3sqc s GLN 305 N 1.07 4.51 0.52 10.12 -0.21 -0.36 -4.76 119.66 130.55 3sqc s GLN 305 Ca -0.07 1.67 0.18 0.00 0.02 0.00 0.00 55.36 57.17 3sqc s GLN 305 Cb -0.15 -3.35 1.29 0.00 1.00 0.00 0.00 33.01 31.80 3sqc s GLN 305 CO -0.01 -0.11 2.10 0.00 -2.12 0.00 0.00 175.29 175.15 3sqc h ALA 306 N 6.32 2.13 -2.27 6.09 0.00 -1.91 -3.44 119.26 126.18 3sqc h ALA 306 Ca -0.42 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.56 3sqc h ALA 306 Cb 1.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3sqc h ALA 306 CO 0.77 -0.17 0.32 0.45 0.00 0.00 0.00 179.25 180.63 3sqc n SER 307 N -4.49 -1.14 -4.00 0.00 2.88 -1.26 -1.96 113.62 103.65 3sqc n SER 307 Ca 0.01 -1.65 -0.18 0.00 -1.33 0.00 0.00 58.87 55.72 3sqc n SER 307 Cb 0.23 1.87 -0.15 0.00 -0.75 0.00 0.00 64.21 65.41 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 -2.30 0.63 -0.41 2.46 -4.36 -1.26 -4.60 121.20 111.35 3sqc s ILE 308 Ca 0.13 -0.33 0.05 0.00 -0.26 0.00 0.00 60.65 60.24 3sqc s ILE 308 Cb -0.02 -0.54 0.52 0.00 1.25 0.00 0.00 42.46 43.67 3sqc s ILE 308 CO 0.04 0.18 1.64 -1.54 0.24 0.00 0.00 174.94 175.51 3sqc n SER 309 N 2.97 4.40 -0.23 4.36 3.41 -1.26 -3.38 113.62 123.88 3sqc n SER 309 Ca -0.14 -3.75 -0.00 0.00 -0.26 0.00 0.00 58.87 54.71 3sqc n SER 309 Cb 0.57 -0.71 0.12 0.00 -0.26 0.00 0.00 64.21 63.93 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 1.45 0.60 -0.24 4.33 0.13 -1.77 0.30 132.00 136.80 3sqc h PRO 310 Ca 0.42 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 65.42 3sqc h PRO 310 Cb 1.67 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.66 3sqc h PRO 310 CO 0.89 0.40 -0.21 0.28 -0.23 0.00 0.00 178.00 179.12 3sqc h VAL 311 N 0.62 1.31 0.32 1.56 2.07 -1.65 -0.92 116.25 119.57 3sqc h VAL 311 Ca 0.32 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 3sqc h VAL 311 Cb 0.28 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 3sqc h VAL 311 CO -0.23 0.42 -0.29 -0.25 0.02 0.00 0.00 177.57 177.24 3sqc h TRP 312 N 0.28 -0.78 0.09 1.57 -0.00 -1.57 0.11 115.95 115.64 3sqc h TRP 312 Ca 0.04 0.00 0.02 0.00 -0.00 0.00 0.00 58.89 58.96 3sqc h TRP 312 Cb 0.76 0.30 -0.05 0.00 -0.00 0.00 0.00 29.16 30.18 3sqc h TRP 312 CO 0.07 -0.43 -0.36 -0.44 -0.00 0.00 0.00 178.44 177.28 3sqc h ASP 313 N -0.64 -1.07 0.08 2.65 3.32 -0.36 -0.98 116.42 119.43 3sqc h ASP 313 Ca -0.02 0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.18 3sqc h ASP 313 Cb 0.57 0.41 -0.05 0.00 0.22 0.00 0.00 39.33 40.48 3sqc h ASP 313 CO -0.04 -0.44 -0.38 0.74 -1.72 0.00 0.00 179.24 177.40 3sqc h THR 314 N -0.58 0.21 -0.27 0.35 2.02 -1.00 0.65 112.91 114.29 3sqc h THR 314 Ca 0.03 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.28 3sqc h THR 314 Cb 0.62 0.21 -0.08 0.00 -1.74 0.00 0.00 68.15 67.16 3sqc h THR 314 CO -0.23 0.00 -0.29 1.23 0.37 0.00 0.00 175.52 176.60 3sqc h GLY 315 N -0.59 -0.26 1.01 2.16 0.00 -0.50 -1.41 103.07 103.48 3sqc h GLY 315 Ca 0.04 0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 3sqc h GLY 315 CO -0.25 -0.21 0.45 1.41 0.00 0.00 0.00 176.54 177.94 3sqc h LEU 316 N -0.29 0.92 -0.54 3.11 3.38 -1.01 -2.74 115.31 118.14 3sqc h LEU 316 Ca 0.14 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.11 3sqc h LEU 316 Cb 0.51 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 3sqc h LEU 316 CO -0.43 0.72 0.20 0.00 0.09 0.00 0.00 178.44 179.01 3sqc h ALA 317 N 1.24 0.67 0.20 1.53 0.00 -0.12 -0.47 119.26 122.30 3sqc h ALA 317 Ca 0.27 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 3sqc h ALA 317 Cb -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3sqc h ALA 317 CO -0.05 -0.20 -0.14 0.28 0.00 0.00 0.00 179.25 179.13 3sqc h VAL 318 N 0.38 0.69 -0.94 0.00 2.07 -1.02 -0.50 116.25 116.92 3sqc h VAL 318 Ca 0.26 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.86 3sqc h VAL 318 Cb 0.29 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 3sqc h VAL 318 CO -0.26 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 177.87 3sqc h LEU 319 N -0.34 0.91 0.35 2.57 3.38 -1.17 0.22 115.31 121.22 3sqc h LEU 319 Ca -0.01 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3sqc h LEU 319 Cb 0.30 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3sqc h LEU 319 CO -0.00 0.56 -0.17 0.00 0.09 0.00 0.00 178.44 178.92 3sqc h ALA 320 N 1.51 -0.46 -0.82 1.53 0.00 -0.54 -1.50 119.26 118.98 3sqc h ALA 320 Ca 0.43 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3sqc h ALA 320 Cb 0.30 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3sqc h ALA 320 CO -0.18 -0.73 0.40 -0.07 0.00 0.00 0.00 179.25 178.67 3sqc h LEU 321 N -0.53 1.08 -0.35 0.00 3.38 -0.19 0.14 115.31 118.84 3sqc h LEU 321 Ca -0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3sqc h LEU 321 Cb 0.40 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3sqc h LEU 321 CO 0.08 0.91 0.18 0.03 0.09 0.00 0.00 178.44 179.72 3sqc h ARG 322 N 1.17 0.49 -0.50 1.13 2.47 -0.55 -1.58 114.38 117.02 3sqc h ARG 322 Ca 0.28 -0.06 -0.08 0.00 -1.26 0.00 0.00 59.98 58.86 3sqc h ARG 322 Cb 0.12 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.32 3sqc h ARG 322 CO -0.04 0.43 -0.01 0.00 0.56 0.00 0.00 179.97 180.91 3sqc h ALA 323 N 1.04 1.05 -0.92 0.04 0.00 -1.00 -2.65 119.26 116.82 3sqc h ALA 323 Ca 0.12 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.83 3sqc h ALA 323 Cb 0.09 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 3sqc h ALA 323 CO -0.02 0.59 0.60 0.00 0.00 0.00 0.00 179.25 180.42 3sqc h ALA 324 N 1.21 1.52 0.00 0.00 0.00 -0.11 -3.40 119.26 118.48 3sqc h ALA 324 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3sqc h ALA 324 Cb 0.48 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3sqc h ALA 324 CO 0.02 0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.01 3sqc n GLY 325 N -1.39 0.69 3.72 0.00 0.00 -0.65 -4.82 105.19 102.74 3sqc n GLY 325 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 3.91 -4.75 0.99 4.77 -0.97 -4.95 117.00 115.99 3sqc n LEU 326 Ca 0.00 1.16 -0.37 0.00 -0.03 0.00 0.00 56.01 56.77 3sqc n LEU 326 Cb 0.00 -1.53 0.03 0.00 -2.33 0.00 0.00 43.42 39.59 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 -0.85 3.12 0.58 3.23 0.04 -1.26 -4.54 135.00 135.33 3sqc s PRO 327 Ca 0.63 2.03 0.28 0.00 0.04 0.00 0.00 61.00 63.98 3sqc s PRO 327 Cb -0.55 -2.14 1.59 0.00 0.04 0.00 0.00 34.50 33.44 3sqc s PRO 327 CO 0.52 -1.14 2.04 0.00 0.04 0.00 0.00 177.00 178.46 3sqc h ALA 328 N 1.29 1.94 -0.59 8.56 0.00 -1.93 -1.51 119.26 127.02 3sqc h ALA 328 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3sqc h ALA 328 Cb 1.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3sqc h ALA 328 CO 0.57 -0.42 0.00 -0.40 0.00 0.00 0.00 179.25 178.99 3sqc n ASP 329 N -3.82 4.42 -4.65 0.00 5.68 -1.26 -1.63 116.55 115.29 3sqc n ASP 329 Ca 0.04 -2.40 -0.49 0.00 -0.50 0.00 0.00 54.79 51.44 3sqc n ASP 329 Cb 0.43 -0.53 -0.05 0.00 -1.14 0.00 0.00 41.12 39.83 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 0.98 2.20 -0.51 2.11 -0.00 -0.57 -4.80 115.22 114.63 3sqc n HIS 330 Ca 0.24 0.06 0.43 0.00 0.46 0.00 0.00 57.72 58.90 3sqc n HIS 330 Cb 0.81 -2.64 0.75 0.00 -0.12 0.00 0.00 29.99 28.80 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 9.90 0.06 -0.05 0.26 2.03 -1.93 0.20 116.42 126.89 3sqc h ASP 331 Ca -0.45 0.03 -0.11 0.00 -0.73 0.00 0.00 57.03 55.76 3sqc h ASP 331 Cb 1.28 0.02 0.01 0.00 -0.83 0.00 0.00 39.33 39.81 3sqc h ASP 331 CO 0.96 -0.03 -0.41 -0.09 -1.03 0.00 0.00 179.24 178.65 3sqc h ARG 332 N 0.03 0.37 0.00 4.15 9.65 -1.98 -2.96 114.38 123.65 3sqc h ARG 332 Ca 0.77 -0.33 0.00 0.00 -1.10 0.00 0.00 59.98 59.32 3sqc h ARG 332 Cb 2.92 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 31.58 3sqc h ARG 332 CO -0.09 0.98 0.00 1.28 2.80 0.00 0.00 179.97 184.94 3sqc n LEU 333 N -4.35 0.71 0.05 3.80 4.77 0.57 -2.74 117.00 119.82 3sqc n LEU 333 Ca -0.09 0.66 -0.20 0.00 -0.03 0.00 0.00 56.01 56.35 3sqc n LEU 333 Cb 0.56 -0.54 -0.13 0.00 -2.33 0.00 0.00 43.42 40.97 3sqc n LEU 333 CO 0.43 -0.52 0.06 0.58 -1.33 0.00 0.00 177.39 176.62 3sqc h VAL 334 N 0.00 1.43 -0.57 4.08 2.07 -1.08 -1.96 116.25 120.22 3sqc h VAL 334 Ca 0.00 -2.40 0.07 0.00 0.82 0.00 0.00 66.70 65.19 3sqc h VAL 334 Cb 0.42 2.92 -0.06 0.00 -1.52 0.00 0.00 31.29 33.05 3sqc h VAL 334 CO 0.00 0.70 0.24 0.11 0.02 0.00 0.00 177.57 178.64 3sqc h LYS 335 N -0.13 0.44 -0.18 1.57 1.79 -1.35 0.13 116.57 118.84 3sqc h LYS 335 Ca -0.14 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.32 3sqc h LYS 335 Cb 1.64 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 32.18 3sqc h LYS 335 CO 0.17 0.29 0.07 0.00 -1.08 0.00 0.00 179.45 178.90 3sqc h ALA 336 N 1.36 0.20 -0.49 3.86 0.00 -1.56 -1.26 119.26 121.37 3sqc h ALA 336 Ca 0.27 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.22 3sqc h ALA 336 Cb 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3sqc h ALA 336 CO -0.24 -0.36 0.29 0.78 0.00 0.00 0.00 179.25 179.71 3sqc h GLY 337 N 0.16 0.69 0.99 0.00 0.00 -0.33 -1.22 103.07 103.35 3sqc h GLY 337 Ca 0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 3sqc h GLY 337 CO -0.08 0.19 0.23 0.83 0.00 0.00 0.00 176.54 177.71 3sqc h GLU 338 N 0.58 0.89 -0.15 4.80 4.39 -0.60 -2.02 114.58 122.47 3sqc h GLU 338 Ca 0.20 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3sqc h GLU 338 Cb 0.02 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 3sqc h GLU 338 CO -0.09 0.76 0.10 2.35 -1.16 0.00 0.00 179.01 180.97 3sqc h TRP 339 N 0.82 0.19 -0.59 4.33 7.01 -0.94 -2.75 115.95 124.02 3sqc h TRP 339 Ca 0.20 0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.25 3sqc h TRP 339 Cb 0.21 -0.06 -0.05 0.00 -2.10 0.00 0.00 29.16 27.16 3sqc h TRP 339 CO 0.01 0.13 0.30 -0.07 -2.79 0.00 0.00 178.44 176.02 3sqc h LEU 340 N 0.19 0.44 -0.93 0.65 3.38 -0.98 -2.59 115.31 115.46 3sqc h LEU 340 Ca 0.05 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.15 3sqc h LEU 340 Cb -0.01 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 3sqc h LEU 340 CO -0.01 0.29 0.58 -0.07 0.09 0.00 0.00 178.44 179.32 3sqc h LEU 341 N 0.57 0.88 -0.35 1.67 3.38 -1.08 -0.57 115.31 119.80 3sqc h LEU 341 Ca 0.26 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3sqc h LEU 341 Cb 0.18 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3sqc h LEU 341 CO -0.18 0.51 0.00 0.47 0.09 0.00 0.00 178.44 179.33 3sqc n ASP 342 N -4.62 0.35 0.08 -0.43 8.00 -0.99 -2.73 116.55 116.21 3sqc n ASP 342 Ca 0.16 0.59 0.12 0.00 0.71 0.00 0.00 54.79 56.36 3sqc n ASP 342 Cb 0.26 -0.66 0.22 0.00 -0.02 0.00 0.00 41.12 40.92 3sqc n ASP 342 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3sqc h ARG 343 N 0.00 0.00 -6.74 -1.24 9.65 -1.01 -3.47 114.38 111.57 3sqc h ARG 343 Ca 0.00 0.00 -0.53 0.00 -1.10 0.00 0.00 59.98 58.35 3sqc h ARG 343 Cb 0.32 0.00 0.08 0.00 -1.39 0.00 0.00 29.97 28.98 3sqc h ARG 343 CO 0.00 0.00 0.90 0.94 2.80 0.00 0.00 179.97 184.61 3sqc n GLN 344 N -2.24 2.68 -3.07 0.20 7.27 -1.11 -4.72 117.38 116.40 3sqc n GLN 344 Ca 0.04 0.96 -0.40 0.00 0.07 0.00 0.00 57.00 57.67 3sqc n GLN 344 Cb 0.45 -2.75 -0.05 0.00 2.41 0.00 0.00 30.24 30.29 3sqc n GLN 344 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3sqc s ILE 345 N 0.31 5.02 -1.10 1.69 1.09 -0.74 -4.96 121.20 122.51 3sqc s ILE 345 Ca 0.67 1.33 0.11 0.00 -1.10 0.00 0.00 60.65 61.66 3sqc s ILE 345 Cb -0.51 -4.00 0.03 0.00 -1.06 0.00 0.00 42.46 36.92 3sqc s ILE 345 CO 0.44 0.16 0.72 0.35 -0.10 0.00 0.00 174.94 176.51 3sqc n THR 346 N 4.32 0.00 -3.59 2.92 -2.24 -1.26 -2.73 114.28 111.70 3sqc n THR 346 Ca -0.01 -0.43 -0.20 0.00 -2.27 0.00 0.00 64.05 61.14 3sqc n THR 346 Cb 0.50 1.16 -0.01 0.00 -2.10 0.00 0.00 70.33 69.88 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 -1.21 3.99 0.53 2.28 -7.23 -1.26 -4.68 120.40 112.81 3sqc s VAL 347 Ca 0.10 -1.10 -0.13 0.00 -1.81 0.00 0.00 61.98 59.05 3sqc s VAL 347 Cb 0.09 -3.37 -0.06 0.00 0.56 0.00 0.00 36.38 33.60 3sqc s VAL 347 CO 0.21 -0.17 0.94 -2.84 -0.31 0.00 0.00 175.10 172.93 3sqc s PRO 348 N -4.12 3.76 0.08 4.82 0.02 -1.26 -4.74 135.00 133.57 3sqc s PRO 348 Ca 0.43 0.73 0.01 0.00 0.02 0.00 0.00 61.00 62.18 3sqc s PRO 348 Cb -0.08 -2.19 -0.00 0.00 0.02 0.00 0.00 34.50 32.24 3sqc s PRO 348 CO 0.30 -0.32 0.02 0.41 -0.33 0.00 0.00 177.00 177.08 3sqc n GLY 349 N -1.98 3.97 0.43 0.52 0.00 -1.26 -4.81 105.19 102.06 3sqc n GLY 349 Ca 0.05 -1.99 0.24 0.00 0.00 0.00 0.00 46.02 44.32 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 0.29 0.24 -0.50 1.61 5.19 -1.91 0.14 116.42 121.47 3sqc h ASP 350 Ca -0.06 0.03 0.08 0.00 -0.62 0.00 0.00 57.03 56.46 3sqc h ASP 350 Cb 0.22 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.69 3sqc h ASP 350 CO 0.10 0.08 0.34 4.11 -3.12 0.00 0.00 179.24 180.75 3sqc h TRP 351 N 0.23 0.36 0.00 4.55 5.08 -1.85 -1.31 115.95 123.02 3sqc h TRP 351 Ca 0.47 0.01 0.00 0.00 1.08 0.00 0.00 58.89 60.45 3sqc h TRP 351 Cb 1.46 -0.12 0.00 0.00 -3.00 0.00 0.00 29.16 27.50 3sqc h TRP 351 CO -0.00 0.18 0.00 0.00 -1.28 0.00 0.00 178.44 177.34 3sqc n ALA 352 N -2.53 1.10 0.21 0.11 0.00 0.48 -1.76 120.51 118.12 3sqc n ALA 352 Ca 0.07 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.58 3sqc n ALA 352 Cb 0.32 -1.03 0.45 0.00 0.00 0.00 0.00 19.45 19.18 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 0.80 0.00 0.00 2.07 -1.39 -2.64 116.25 115.09 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 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3sqc h VAL 353 CO 0.00 0.28 -0.75 1.17 0.02 0.00 0.00 177.57 178.30 3sqc n LYS 354 N -3.60 1.92 -3.18 1.57 3.00 -0.72 -4.71 118.16 112.43 3sqc n LYS 354 Ca -0.01 -0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.07 3sqc n LYS 354 Cb 0.42 -1.22 -0.06 0.00 0.00 0.00 0.00 35.03 34.16 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 -1.38 0.58 0.22 1.64 5.12 -1.14 -4.98 116.66 116.72 3sqc n ARG 355 Ca 0.03 -3.04 0.07 0.00 -1.93 0.00 0.00 57.85 52.98 3sqc n ARG 355 Cb 0.24 -1.35 0.50 0.00 -1.16 0.00 0.00 32.46 30.69 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 4.42 0.00 -0.67 5.56 0.11 -1.76 -2.94 132.00 136.73 3sqc h PRO 356 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3sqc h PRO 356 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3sqc h PRO 356 CO 0.41 0.26 0.00 0.09 -0.21 0.00 0.00 178.00 178.55 3sqc n ASN 357 N -3.86 4.20 -4.76 -2.05 5.03 -1.26 -4.90 115.26 107.65 3sqc n ASN 357 Ca -0.02 -2.25 -0.37 0.00 0.87 0.00 0.00 54.58 52.81 3sqc n ASN 357 Cb 0.35 -0.52 -0.07 0.00 -1.02 0.00 0.00 39.78 38.52 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 -1.45 4.31 -0.05 3.41 2.96 -1.11 -5.06 118.68 121.69 3sqc s LEU 358 Ca 0.48 0.67 -0.26 0.00 -0.22 0.00 0.00 54.13 54.80 3sqc s LEU 358 Cb 0.28 -2.46 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 3sqc s LEU 358 CO 0.27 0.15 0.79 -0.54 -1.32 0.00 0.00 176.35 175.70 3sqc s LYS 359 N 0.04 4.47 0.42 1.98 -0.14 -1.26 -5.03 119.74 120.22 3sqc s LYS 359 Ca 0.20 1.05 -0.26 0.00 -1.36 0.00 0.00 55.97 55.60 3sqc s LYS 359 Cb -0.14 -3.46 -0.09 0.00 -1.68 0.00 0.00 37.83 32.46 3sqc s LYS 359 CO 0.07 0.01 1.47 -1.25 -0.76 0.00 0.00 175.35 174.89 3sqc s PRO 360 N 0.93 3.83 0.00 -1.68 0.04 -1.26 -4.59 135.00 132.27 3sqc s PRO 360 Ca 0.42 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.97 3sqc s PRO 360 Cb -0.19 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.58 3sqc s PRO 360 CO 0.21 -0.73 0.04 0.41 0.04 0.00 0.00 177.00 176.97 3sqc n GLY 361 N 0.51 0.10 1.07 0.56 0.00 -1.11 -4.74 105.19 101.59 3sqc n GLY 361 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.48 2.96 -0.02 0.00 -1.24 -3.57 105.19 102.83 3sqc n GLY 362 Ca 0.00 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.38 0.27 0.60 1.61 0.40 -1.26 -1.80 117.98 116.42 3sqc s PHE 363 Ca 0.20 -0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.27 3sqc s PHE 363 Cb -0.01 -0.18 0.08 0.00 0.51 0.00 0.00 43.02 43.43 3sqc s PHE 363 CO 0.14 -0.09 0.83 0.00 0.70 0.00 0.00 175.22 176.80 3sqc s ALA 364 N -0.81 4.19 -0.16 5.36 0.00 -1.26 -1.57 121.76 127.51 3sqc s ALA 364 Ca -0.08 -1.79 -0.26 0.00 0.00 0.00 0.00 51.96 49.84 3sqc s ALA 364 Cb -0.06 -1.78 -0.24 0.00 0.00 0.00 0.00 23.12 21.04 3sqc s ALA 364 CO -0.00 -0.97 0.58 0.35 0.00 0.00 0.00 175.76 175.72 3sqc h PHE 365 N -0.02 0.04 -1.94 0.00 3.57 -1.89 -3.43 116.94 113.27 3sqc h PHE 365 Ca -0.36 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.11 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 0.20 1.20 0.00 0.00 -2.23 0.00 0.00 178.31 177.48 3sqc n GLN 366 N -4.50 0.40 0.08 1.11 0.00 -1.22 -2.04 117.38 111.21 3sqc n GLN 366 Ca -0.18 0.00 -0.05 0.00 0.00 0.00 0.00 57.00 56.77 3sqc n GLN 366 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.79 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 -0.66 -0.28 -3.10 2.61 0.04 -1.92 -3.41 116.94 110.22 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 -0.40 0.00 2.20 0.00 0.00 35.95 37.84 3sqc h PHE 367 CO 0.00 -0.14 -0.69 0.34 -0.60 0.00 0.00 178.31 177.21 3sqc s ASP 368 N -5.22 3.90 -0.39 2.17 2.15 -1.26 -5.00 116.67 113.01 3sqc s ASP 368 Ca -0.05 -2.91 0.03 0.00 0.43 0.00 0.00 52.55 50.05 3sqc s ASP 368 Cb 0.00 -1.27 0.16 0.00 -0.30 0.00 0.00 42.92 41.51 3sqc s ASP 368 CO 0.16 -0.23 0.34 0.21 -0.17 0.00 0.00 175.17 175.48 3sqc s ASN 369 N -0.07 1.58 0.30 -0.34 2.47 -1.26 -2.84 114.94 114.78 3sqc s ASN 369 Ca 0.19 -2.35 0.15 0.00 0.42 0.00 0.00 52.86 51.27 3sqc s ASN 369 Cb -0.21 0.01 0.36 0.00 -1.45 0.00 0.00 41.25 39.96 3sqc s ASN 369 CO -0.03 -0.22 1.59 -0.37 -3.72 0.00 0.00 177.10 174.35 3sqc h VAL 370 N 4.87 1.10 -0.00 -5.21 -1.51 -1.95 -3.29 116.25 110.25 3sqc h VAL 370 Ca 0.14 -2.05 0.00 0.00 -1.23 0.00 0.00 66.70 63.56 3sqc h VAL 370 Cb 0.98 2.20 0.00 0.00 -2.13 0.00 0.00 31.29 32.34 3sqc h VAL 370 CO 0.27 0.53 -0.26 -1.22 -1.23 0.00 0.00 177.57 175.65 3sqc n TYR 371 N -3.49 0.00 -3.01 5.19 4.01 -1.26 -4.45 117.16 114.14 3sqc n TYR 371 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 3sqc n TYR 371 Cb 0.64 -0.35 -0.03 0.00 -0.31 0.00 0.00 39.34 39.29 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 -1.44 2.14 -1.61 -0.72 4.01 -1.24 -3.08 117.16 115.22 3sqc n TYR 372 Ca 0.07 -3.81 -0.33 0.00 -0.16 0.00 0.00 57.90 53.68 3sqc n TYR 372 Cb 0.33 -0.43 0.06 0.00 -0.31 0.00 0.00 39.34 38.99 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 -3.00 2.60 0.13 -0.72 0.04 -1.26 -4.74 135.00 128.06 3sqc s PRO 373 Ca 0.44 1.39 0.08 0.00 0.04 0.00 0.00 61.00 62.95 3sqc s PRO 373 Cb 0.33 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.90 3sqc s PRO 373 CO -0.11 -1.41 -0.20 0.16 0.04 0.00 0.00 177.00 175.49 3sqc s ASP 374 N -2.67 2.62 0.16 6.66 1.47 -0.61 -4.70 116.67 119.60 3sqc s ASP 374 Ca 0.67 -0.77 -0.13 0.00 1.18 0.00 0.00 52.55 53.50 3sqc s ASP 374 Cb -0.21 -0.15 0.05 0.00 -0.34 0.00 0.00 42.92 42.27 3sqc s ASP 374 CO 0.45 0.02 1.72 0.58 0.68 0.00 0.00 175.17 178.61 3sqc h VAL 375 N 3.69 1.22 -0.00 2.11 2.07 -0.88 -2.13 116.25 122.33 3sqc h VAL 375 Ca -0.44 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 66.45 3sqc h VAL 375 Cb 1.19 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 3sqc h VAL 375 CO 0.45 0.25 -0.32 0.00 0.02 0.00 0.00 177.57 177.98 3sqc h ASP 377 N -0.47 -0.00 -0.48 0.00 3.32 -1.84 -2.36 116.42 114.60 3sqc h ASP 377 Ca 0.06 -0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.09 3sqc h ASP 377 Cb 0.55 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.05 3sqc h ASP 377 CO -0.26 0.09 0.14 0.74 -1.72 0.00 0.00 179.24 178.23 3sqc h THR 378 N -0.09 0.80 -0.34 0.35 2.02 -1.19 0.16 112.91 114.61 3sqc h THR 378 Ca -0.00 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 3sqc h THR 378 Cb 0.09 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 3sqc h THR 378 CO 0.00 0.06 0.19 0.00 0.37 0.00 0.00 175.52 176.14 3sqc h ALA 379 N 1.34 0.43 -0.12 6.16 0.00 -0.82 -1.23 119.26 125.03 3sqc h ALA 379 Ca 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3sqc h ALA 379 Cb 0.27 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3sqc h ALA 379 CO -0.26 -0.05 0.03 0.28 0.00 0.00 0.00 179.25 179.24 3sqc h VAL 380 N 0.43 1.20 -0.08 0.00 2.07 -1.02 -2.39 116.25 116.47 3sqc h VAL 380 Ca 0.12 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 67.05 3sqc h VAL 380 Cb 0.04 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3sqc h VAL 380 CO -0.02 0.18 -0.11 0.58 0.02 0.00 0.00 177.57 178.23 3sqc h VAL 381 N -0.02 0.71 -0.48 2.57 2.07 -0.56 0.17 116.25 120.72 3sqc h VAL 381 Ca 0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.57 3sqc h VAL 381 Cb 0.26 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3sqc h VAL 381 CO 0.00 0.00 0.29 0.58 0.02 0.00 0.00 177.57 178.46 3sqc h VAL 382 N -0.14 1.07 -0.06 2.57 2.07 -1.24 0.26 116.25 120.77 3sqc h VAL 382 Ca 0.07 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.40 3sqc h VAL 382 Cb 0.24 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3sqc h VAL 382 CO -0.16 0.11 -0.04 -0.25 0.02 0.00 0.00 177.57 177.24 3sqc h TRP 383 N 0.58 -0.10 -0.74 1.57 7.01 -1.03 -0.11 115.95 123.13 3sqc h TRP 383 Ca 0.19 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.22 3sqc h TRP 383 Cb -0.00 0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.07 3sqc h TRP 383 CO -0.06 -0.07 0.49 0.00 -2.79 0.00 0.00 178.44 176.01 3sqc h ALA 384 N 1.01 1.53 -0.37 2.65 0.00 -0.26 -1.83 119.26 121.99 3sqc h ALA 384 Ca 0.04 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3sqc h ALA 384 Cb 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3sqc h ALA 384 CO -0.09 0.40 0.01 -0.07 0.00 0.00 0.00 179.25 179.50 3sqc h LEU 385 N 0.93 0.63 -2.06 0.00 3.38 -0.21 -2.79 115.31 115.20 3sqc h LEU 385 Ca 0.29 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3sqc h LEU 385 Cb -0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3sqc h LEU 385 CO -0.08 0.78 0.35 -1.13 0.09 0.00 0.00 178.44 178.46 3sqc h ASN 386 N 0.47 0.00 0.63 -0.43 -1.24 -0.17 0.12 115.58 114.96 3sqc h ASN 386 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.12 3sqc h ASN 386 Cb 0.45 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.50 3sqc h ASN 386 CO 0.02 0.00 -0.61 0.35 -1.29 0.00 0.00 177.43 175.90 3sqc n THR 387 N -3.51 0.15 -2.61 -3.57 -2.24 -1.05 -4.95 114.28 96.50 3sqc n THR 387 Ca 0.04 -0.13 -0.22 0.00 -2.27 0.00 0.00 64.05 61.46 3sqc n THR 387 Cb 0.48 0.10 0.04 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 -3.56 3.26 -0.41 3.22 1.43 0.42 -4.63 118.68 118.41 3sqc s LEU 388 Ca 0.08 0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 3sqc s LEU 388 Cb 0.16 -2.98 0.13 0.00 0.03 0.00 0.00 46.19 43.53 3sqc s LEU 388 CO 0.72 -1.14 0.22 -0.60 0.23 0.00 0.00 176.35 175.78 3sqc s ARG 389 N -4.82 1.08 0.25 1.70 6.06 -0.64 -4.98 118.95 117.59 3sqc s ARG 389 Ca 0.56 -1.79 0.00 0.00 -2.50 0.00 0.00 55.73 52.00 3sqc s ARG 389 Cb -0.10 -2.06 -0.04 0.00 0.06 0.00 0.00 34.95 32.80 3sqc s ARG 389 CO 0.40 -1.16 0.44 -0.51 -2.50 0.00 0.00 175.30 171.96 3sqc s LEU 390 N 0.60 4.17 0.05 -0.88 1.43 -1.26 -4.38 118.68 118.41 3sqc s LEU 390 Ca 0.17 0.38 -0.15 0.00 -1.03 0.00 0.00 54.13 53.51 3sqc s LEU 390 Cb -0.24 -3.18 -0.06 0.00 0.03 0.00 0.00 46.19 42.74 3sqc s LEU 390 CO -0.01 -0.12 1.24 -0.65 0.23 0.00 0.00 176.35 177.04 3sqc h PRO 391 N 1.52 -0.28 -4.19 1.29 0.11 -2.00 -3.31 132.00 125.14 3sqc h PRO 391 Ca -0.49 0.02 -0.76 0.00 0.11 0.00 0.00 66.00 64.88 3sqc h PRO 391 Cb 1.20 0.06 -0.23 0.00 0.11 0.00 0.00 31.00 32.15 3sqc h PRO 391 CO 0.65 -0.19 0.63 0.16 -0.21 0.00 0.00 178.00 179.04 3sqc s ASP 392 N -3.49 6.98 0.00 -2.05 -4.77 -1.26 -4.83 116.67 107.24 3sqc s ASP 392 Ca -0.07 -2.91 0.02 0.00 -3.30 0.00 0.00 52.55 46.29 3sqc s ASP 392 Cb 0.03 -2.29 0.11 0.00 -1.09 0.00 0.00 42.92 39.68 3sqc s ASP 392 CO 0.27 -0.62 0.65 -1.84 0.70 0.00 0.00 175.17 174.32 3sqc n GLU 393 N 4.47 0.55 -0.04 2.11 -0.00 -1.25 -2.23 120.64 124.26 3sqc n GLU 393 Ca 0.24 0.00 -0.14 0.00 -0.00 0.00 0.00 57.16 57.26 3sqc n GLU 393 Cb 0.44 -1.05 -0.11 0.00 -0.00 0.00 0.00 31.44 30.72 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 0.03 0.00 3.44 9.65 -1.94 -0.63 114.38 124.94 3sqc h ARG 394 Ca 0.00 -0.03 -0.11 0.00 -1.10 0.00 0.00 59.98 58.74 3sqc h ARG 394 Cb 0.00 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 3sqc h ARG 394 CO 0.00 0.73 -0.55 -0.09 2.80 0.00 0.00 179.97 182.87 3sqc h ARG 395 N -0.66 0.00 -0.17 0.20 2.43 -1.87 -1.89 114.38 112.41 3sqc h ARG 395 Ca -0.00 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.97 3sqc h ARG 395 Cb 0.74 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.30 3sqc h ARG 395 CO 0.01 0.55 -0.65 -0.09 -1.51 0.00 0.00 179.97 178.27 3sqc h ARG 396 N 0.00 0.75 -0.31 0.20 2.43 -1.57 0.89 114.38 116.76 3sqc h ARG 396 Ca -0.01 -0.57 -0.05 0.00 -0.81 0.00 0.00 59.98 58.54 3sqc h ARG 396 Cb 1.28 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.93 3sqc h ARG 396 CO 0.07 1.19 -0.00 -0.09 -1.51 0.00 0.00 179.97 179.63 3sqc h ARG 397 N 0.47 0.56 0.47 0.20 9.65 -1.08 -2.32 114.38 122.33 3sqc h ARG 397 Ca -0.03 -0.18 -0.02 0.00 -1.10 0.00 0.00 59.98 58.64 3sqc h ARG 397 Cb 1.28 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 3sqc h ARG 397 CO 0.14 0.70 -0.23 0.22 2.80 0.00 0.00 179.97 183.60 3sqc h ASP 398 N 0.35 -0.54 -0.74 -3.80 3.58 -1.33 -2.07 116.42 111.88 3sqc h ASP 398 Ca 0.09 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.58 3sqc h ASP 398 Cb 0.45 0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.59 3sqc h ASP 398 CO 0.02 -0.36 0.45 0.00 -2.88 0.00 0.00 179.24 176.47 3sqc h ALA 399 N -0.14 0.99 -0.25 -0.78 0.00 -0.83 -1.52 119.26 116.73 3sqc h ALA 399 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3sqc h ALA 399 Cb 0.50 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3sqc h ALA 399 CO 0.11 0.21 0.13 0.52 0.00 0.00 0.00 179.25 180.21 3sqc h MET 400 N 0.86 0.36 -0.78 0.00 2.86 -1.33 -0.76 114.93 116.14 3sqc h MET 400 Ca 0.31 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.90 3sqc h MET 400 Cb 0.08 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 3sqc h MET 400 CO -0.14 0.35 0.47 1.79 1.06 0.00 0.00 176.91 180.45 3sqc h THR 401 N 0.28 1.22 -0.30 2.22 1.35 -1.04 0.18 112.91 116.82 3sqc h THR 401 Ca 0.09 -0.47 -0.03 0.00 -0.55 0.00 0.00 66.41 65.44 3sqc h THR 401 Cb 0.11 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 66.64 3sqc h THR 401 CO -0.01 0.23 0.07 0.11 -0.25 0.00 0.00 175.52 175.67 3sqc h LYS 402 N 1.07 0.49 0.24 4.72 1.57 -1.06 -0.09 116.57 123.50 3sqc h LYS 402 Ca 0.28 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3sqc h LYS 402 Cb -0.05 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3sqc h LYS 402 CO -0.05 0.56 -0.12 0.78 -0.57 0.00 0.00 179.45 180.05 3sqc h GLY 403 N 0.33 -0.34 -0.00 3.86 0.00 -0.91 -1.42 103.07 104.59 3sqc h GLY 403 Ca 0.09 0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.60 3sqc h GLY 403 CO 0.00 -0.12 -0.36 -2.75 0.00 0.00 0.00 176.54 173.30 3sqc h PHE 404 N -0.45 -1.03 -0.62 5.60 3.04 -0.53 -0.58 116.94 122.39 3sqc h PHE 404 Ca -0.03 0.05 0.02 0.00 3.98 0.00 0.00 57.97 61.98 3sqc h PHE 404 Cb 0.34 0.48 -0.03 0.00 2.56 0.00 0.00 35.95 39.30 3sqc h PHE 404 CO -0.03 -0.42 0.41 0.00 -2.02 0.00 0.00 178.31 176.25 3sqc h ARG 405 N -0.39 0.77 -0.34 1.11 3.08 -0.98 -1.41 114.38 116.22 3sqc h ARG 405 Ca 0.11 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 3sqc h ARG 405 Cb 0.57 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3sqc h ARG 405 CO -0.43 0.51 -0.03 2.35 -1.07 0.00 0.00 179.97 181.30 3sqc h TRP 406 N 0.80 0.70 -0.41 3.04 7.01 -0.21 -1.55 115.95 125.32 3sqc h TRP 406 Ca 0.23 -0.13 0.01 0.00 2.11 0.00 0.00 58.89 61.11 3sqc h TRP 406 Cb -0.03 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 26.83 3sqc h TRP 406 CO -0.00 0.76 0.26 0.82 -2.79 0.00 0.00 178.44 177.49 3sqc h ILE 407 N 0.43 1.07 -0.29 2.65 2.04 -0.57 -1.53 117.51 121.31 3sqc h ILE 407 Ca 0.09 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.80 3sqc h ILE 407 Cb 0.50 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3sqc h ILE 407 CO 0.02 0.10 0.13 0.58 0.00 0.00 0.00 178.15 178.98 3sqc h VAL 408 N 0.52 0.97 0.00 1.67 2.07 -1.12 -0.60 116.25 119.76 3sqc h VAL 408 Ca 0.16 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3sqc h VAL 408 Cb -0.03 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3sqc h VAL 408 CO -0.05 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.20 3sqc n GLY 409 N -1.19 -0.94 0.13 2.17 0.00 -0.60 -2.44 105.19 102.32 3sqc n GLY 409 Ca -0.01 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.40 0.37 -1.71 1.61 2.00 -0.25 -4.95 117.12 112.79 3sqc n MET 410 Ca 0.06 -0.26 -0.42 0.00 0.00 0.00 0.00 57.70 57.07 3sqc n MET 410 Cb 0.16 -1.49 -0.01 0.00 0.00 0.00 0.00 33.22 31.88 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 -1.09 2.23 -2.64 0.03 7.27 -1.02 -4.66 117.38 117.51 3sqc n GLN 411 Ca 0.07 0.78 -0.22 0.00 0.07 0.00 0.00 57.00 57.70 3sqc n GLN 411 Cb 0.36 -2.39 0.07 0.00 2.41 0.00 0.00 30.24 30.69 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 -0.25 4.80 0.17 1.69 0.01 -0.71 -4.90 113.70 114.50 3sqc s SER 412 Ca 0.55 -0.24 -0.15 0.00 1.31 0.00 0.00 55.95 57.42 3sqc s SER 412 Cb -0.55 -0.37 0.11 0.00 0.21 0.00 0.00 66.02 65.41 3sqc s SER 412 CO 0.62 -1.51 1.74 0.28 0.41 0.00 0.00 173.24 174.77 3sqc h SER 413 N -0.22 0.08 0.35 2.44 0.02 -1.95 -2.61 113.55 111.67 3sqc h SER 413 Ca -0.38 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3sqc h SER 413 Cb 1.28 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.88 3sqc h SER 413 CO 0.46 0.08 0.00 -0.46 -1.14 0.00 0.00 176.83 175.77 3sqc n ASN 414 N -5.05 0.00 0.00 3.07 0.23 -1.26 -4.86 115.26 107.39 3sqc n ASN 414 Ca 0.03 0.35 0.00 0.00 -0.53 0.00 0.00 54.58 54.43 3sqc n ASN 414 Cb 0.17 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.45 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 -0.23 2.34 0.00 4.83 0.00 -0.98 -4.54 105.19 106.61 3sqc n GLY 415 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.38 1.38 3.05 -0.02 0.00 -1.26 -3.54 105.19 103.41 3sqc n GLY 416 Ca 0.00 -2.01 -0.16 0.00 0.00 0.00 0.00 46.02 43.85 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 1.08 0.76 0.54 1.61 0.51 -1.26 -1.74 118.94 120.43 3sqc s TRP 417 Ca 0.00 -0.32 0.07 0.00 -2.12 0.00 0.00 56.10 53.73 3sqc s TRP 417 Cb 0.00 -0.46 0.09 0.00 -0.81 0.00 0.00 33.47 32.29 3sqc s TRP 417 CO 0.00 -0.03 0.74 0.41 -0.51 0.00 0.00 176.95 177.56 3sqc n GLY 418 N 2.10 1.67 0.06 0.98 0.00 -1.26 -1.10 105.19 107.65 3sqc n GLY 418 Ca -0.18 -2.17 -0.09 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.01 0.01 0.00 4.61 0.00 -1.83 -3.41 119.26 118.63 3sqc h ALA 419 Ca -0.25 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.16 3sqc h ALA 419 Cb 1.08 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3sqc h ALA 419 CO 0.33 0.03 -1.52 0.66 0.00 0.00 0.00 179.25 178.75 3sqc n TYR 420 N -4.66 0.00 -4.33 0.00 4.01 -1.26 -0.28 117.16 110.64 3sqc n TYR 420 Ca -0.07 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.40 3sqc n TYR 420 Cb 0.33 -0.36 -0.08 0.00 -0.31 0.00 0.00 39.34 38.91 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 -4.54 4.23 -0.15 7.72 1.01 -1.26 -4.73 116.67 118.95 3sqc s ASP 421 Ca -0.09 -1.23 -0.06 0.00 0.71 0.00 0.00 52.55 51.88 3sqc s ASP 421 Cb 0.03 -0.34 -0.04 0.00 1.01 0.00 0.00 42.92 43.59 3sqc s ASP 421 CO 0.25 -0.56 0.05 -0.69 0.21 0.00 0.00 175.17 174.42 3sqc s VAL 422 N -2.67 4.70 -1.59 -1.27 1.01 -1.26 -4.21 120.40 115.12 3sqc s VAL 422 Ca 0.36 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 3sqc s VAL 422 Cb 0.05 -3.08 0.08 0.00 0.00 0.00 0.00 36.38 33.43 3sqc s VAL 422 CO 0.19 0.51 0.45 0.47 0.00 0.00 0.00 175.10 176.72 3sqc n ASP 423 N 3.08 -1.06 -3.57 3.32 8.00 -1.26 -4.82 116.55 120.24 3sqc n ASP 423 Ca -0.17 -1.11 -0.41 0.00 0.71 0.00 0.00 54.79 53.81 3sqc n ASP 423 Cb 0.53 -2.43 -0.01 0.00 -0.02 0.00 0.00 41.12 39.19 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 -2.80 7.19 -0.00 -2.24 2.85 -1.25 -4.46 115.26 114.55 3sqc n ASN 424 Ca -0.15 -3.05 0.08 0.00 -0.11 0.00 0.00 54.58 51.35 3sqc n ASN 424 Cb 0.60 -1.43 -0.10 0.00 1.24 0.00 0.00 39.78 40.10 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 2.51 0.00 -1.66 -0.44 -2.24 -1.26 -2.93 114.28 108.26 3sqc n THR 425 Ca 0.58 -0.13 -0.65 0.00 -2.27 0.00 0.00 64.05 61.58 3sqc n THR 425 Cb 0.28 0.91 -0.09 0.00 -2.10 0.00 0.00 70.33 69.33 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 -1.46 1.10 0.13 3.42 2.88 -1.26 -4.84 113.62 113.59 3sqc n SER 426 Ca 0.03 1.13 0.13 0.00 -1.33 0.00 0.00 58.87 58.83 3sqc n SER 426 Cb 0.28 -0.84 0.34 0.00 -0.75 0.00 0.00 64.21 63.24 3sqc n SER 426 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 3sqc h ASP 427 N 4.69 0.00 -0.23 -3.46 3.58 -1.95 -3.39 116.42 115.66 3sqc h ASP 427 Ca -0.42 -0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.08 3sqc h ASP 427 Cb 1.31 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.29 3sqc h ASP 427 CO 0.92 0.00 -0.34 -0.07 -2.88 0.00 0.00 179.24 176.88 3sqc h LEU 428 N 0.00 -1.08 -1.97 2.28 -0.00 -1.97 -2.99 115.31 109.57 3sqc h LEU 428 Ca 0.00 0.17 0.12 0.00 -0.00 0.00 0.00 57.88 58.16 3sqc h LEU 428 Cb 0.80 0.47 -0.02 0.00 -0.00 0.00 0.00 40.66 41.92 3sqc h LEU 428 CO 0.00 -0.35 0.30 1.55 -0.00 0.00 0.00 178.44 179.94 3sqc h PRO 429 N -0.36 0.03 0.00 1.13 0.13 -1.92 -2.59 132.00 128.42 3sqc h PRO 429 Ca 0.12 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3sqc h PRO 429 Cb 0.55 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.68 3sqc h PRO 429 CO -0.43 0.02 0.00 0.09 -0.23 0.00 0.00 178.00 177.45 3sqc n ASN 430 N -4.42 0.00 -0.18 1.44 3.02 -1.13 -2.60 115.26 111.39 3sqc n ASN 430 Ca 0.07 0.01 0.06 0.00 -0.03 0.00 0.00 54.58 54.70 3sqc n ASN 430 Cb 0.48 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.43 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 -1.19 0.00 -2.22 3.10 8.25 -0.98 -1.75 115.22 120.43 3sqc n HIS 431 Ca 0.05 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 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 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 -1.91 2.94 0.50 1.59 1.01 -1.07 -4.27 121.20 119.99 3sqc s ILE 432 Ca 0.09 0.94 0.26 0.00 0.00 0.00 0.00 60.65 61.93 3sqc s ILE 432 Cb 0.10 -3.60 0.43 0.00 0.01 0.00 0.00 42.46 39.41 3sqc s ILE 432 CO 0.42 0.22 1.91 -0.65 0.00 0.00 0.00 174.94 176.84 3sqc h PRO 433 N 3.45 0.13 -0.13 2.79 0.11 -1.92 -1.99 132.00 134.45 3sqc h PRO 433 Ca -0.48 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.43 3sqc h PRO 433 Cb 1.22 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3sqc h PRO 433 CO 0.66 0.08 -0.69 0.35 -0.21 0.00 0.00 178.00 178.19 3sqc h PHE 434 N 0.13 0.73 -0.45 0.65 3.57 -1.90 -3.40 116.94 116.25 3sqc h PHE 434 Ca 0.40 -0.30 -0.71 0.00 3.53 0.00 0.00 57.97 60.88 3sqc h PHE 434 Cb 1.37 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 39.92 3sqc h PHE 434 CO -0.00 1.07 2.73 0.00 -2.23 0.00 0.00 178.31 179.88 3sqc n ASP 436 N 6.16 2.97 -3.88 0.00 5.75 -1.26 -1.91 116.55 124.37 3sqc n ASP 436 Ca 0.49 -1.91 -0.27 0.00 -0.01 0.00 0.00 54.79 53.09 3sqc n ASP 436 Cb 0.40 -0.23 -0.17 0.00 -1.03 0.00 0.00 41.12 40.09 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 -1.04 1.41 0.00 2.11 5.36 -1.26 -4.73 117.98 119.83 3sqc s PHE 437 Ca 0.27 -0.75 0.00 0.00 -0.96 0.00 0.00 56.93 55.49 3sqc s PHE 437 Cb 0.15 -1.19 0.00 0.00 -0.34 0.00 0.00 43.02 41.64 3sqc s PHE 437 CO 0.20 -0.52 0.00 0.41 -1.46 0.00 0.00 175.22 173.85 3sqc n GLY 438 N 4.96 -0.03 3.77 13.12 0.00 -1.26 -4.80 105.19 120.94 3sqc n GLY 438 Ca -0.11 -0.92 -0.38 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 4.53 -0.00 1.61 0.41 -1.26 -4.91 118.70 119.07 3sqc s GLU 439 Ca 0.00 1.51 0.02 0.00 -0.41 0.00 0.00 54.97 56.09 3sqc s GLU 439 Cb 0.00 -2.89 -0.02 0.00 -1.78 0.00 0.00 34.13 29.43 3sqc s GLU 439 CO 0.00 0.19 0.05 0.28 -0.49 0.00 0.00 175.26 175.29 3sqc n VAL 440 N 0.68 0.00 -4.54 2.63 0.31 -1.26 -4.90 118.33 111.25 3sqc n VAL 440 Ca 0.01 -0.20 -0.26 0.00 -0.01 0.00 0.00 64.34 63.88 3sqc n VAL 440 Cb 0.48 0.67 -0.10 0.00 -0.91 0.00 0.00 33.84 33.97 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 -1.75 2.22 -0.62 2.52 -4.23 -1.26 -0.15 115.64 112.37 3sqc s THR 441 Ca -0.00 -2.14 0.06 0.00 -1.18 0.00 0.00 61.69 58.43 3sqc s THR 441 Cb 0.01 -2.74 0.23 0.00 1.34 0.00 0.00 72.50 71.35 3sqc s THR 441 CO 0.07 -0.16 0.67 -0.67 -0.54 0.00 0.00 174.62 173.99 3sqc n ASP 442 N -0.85 3.17 -4.90 3.99 2.03 -1.17 -4.68 116.55 114.14 3sqc n ASP 442 Ca -0.05 -3.30 -0.29 0.00 0.52 0.00 0.00 54.79 51.67 3sqc n ASP 442 Cb 0.64 -0.68 0.05 0.00 -0.72 0.00 0.00 41.12 40.41 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 -2.10 2.78 0.83 -0.67 0.04 -1.15 -3.93 135.00 130.79 3sqc s PRO 443 Ca 0.36 0.28 -0.12 0.00 0.04 0.00 0.00 61.00 61.56 3sqc s PRO 443 Cb 0.11 -2.09 0.09 0.00 0.04 0.00 0.00 34.50 32.66 3sqc s PRO 443 CO -0.06 -1.00 1.18 -2.14 0.04 0.00 0.00 177.00 175.02 3sqc s PRO 444 N -5.28 1.55 0.03 0.56 0.02 -1.26 -4.54 135.00 126.09 3sqc s PRO 444 Ca 0.57 1.66 -0.05 0.00 0.02 0.00 0.00 61.00 63.20 3sqc s PRO 444 Cb -0.11 -1.78 -0.01 0.00 0.02 0.00 0.00 34.50 32.63 3sqc s PRO 444 CO 0.50 -2.26 0.09 -1.54 -0.33 0.00 0.00 177.00 173.46 3sqc s SER 445 N -2.37 0.17 0.18 2.53 1.04 -0.25 -4.89 113.70 110.11 3sqc s SER 445 Ca 0.71 -0.50 -0.13 0.00 0.48 0.00 0.00 55.95 56.51 3sqc s SER 445 Cb -0.26 0.22 0.18 0.00 0.10 0.00 0.00 66.02 66.26 3sqc s SER 445 CO 0.52 -0.48 1.73 -0.33 0.98 0.00 0.00 173.24 175.66 3sqc h GLU 446 N 3.77 0.27 -0.02 4.02 3.07 -1.88 -2.69 114.58 121.13 3sqc h GLU 446 Ca -0.32 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.52 3sqc h GLU 446 Cb 1.19 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 29.04 3sqc h GLU 446 CO 0.49 0.18 0.00 0.38 -1.40 0.00 0.00 179.01 178.66 3sqc h ASP 447 N 0.28 0.02 -0.46 1.42 2.03 -1.90 0.10 116.42 117.92 3sqc h ASP 447 Ca 0.24 -0.27 0.06 0.00 -0.73 0.00 0.00 57.03 56.33 3sqc h ASP 447 Cb 0.30 -0.01 -0.05 0.00 -0.83 0.00 0.00 39.33 38.74 3sqc h ASP 447 CO -0.29 0.29 0.15 0.58 -1.03 0.00 0.00 179.24 178.94 3sqc h VAL 448 N -0.24 0.84 -0.75 4.15 2.07 -1.84 -0.67 116.25 119.80 3sqc h VAL 448 Ca 0.00 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.42 3sqc h VAL 448 Cb 0.28 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3sqc h VAL 448 CO 0.00 0.06 0.50 0.74 0.02 0.00 0.00 177.57 178.89 3sqc h THR 449 N 0.32 1.19 -0.73 2.57 2.02 -1.37 -1.47 112.91 115.44 3sqc h THR 449 Ca 0.22 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 3sqc h THR 449 Cb 0.22 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.68 3sqc h THR 449 CO -0.23 0.19 0.36 0.00 0.37 0.00 0.00 175.52 176.21 3sqc h ALA 450 N 1.28 1.26 -0.11 6.16 0.00 0.08 -0.72 119.26 127.22 3sqc h ALA 450 Ca 0.28 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3sqc h ALA 450 Cb -0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3sqc h ALA 450 CO -0.06 0.57 -0.48 0.45 0.00 0.00 0.00 179.25 179.73 3sqc h HIS 451 N 1.03 0.32 -0.10 0.00 3.86 -0.44 -1.34 115.15 118.48 3sqc h HIS 451 Ca 0.25 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 3sqc h HIS 451 Cb 0.08 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.49 3sqc h HIS 451 CO 0.01 0.70 -0.07 0.28 0.86 0.00 0.00 177.93 179.71 3sqc h VAL 452 N 0.22 1.34 -0.99 2.45 2.07 -0.84 -2.47 116.25 118.02 3sqc h VAL 452 Ca 0.01 -1.15 0.04 0.00 0.82 0.00 0.00 66.70 66.42 3sqc h VAL 452 Cb 0.93 1.88 -0.06 0.00 -1.52 0.00 0.00 31.29 32.52 3sqc h VAL 452 CO 0.08 0.33 0.65 -0.07 0.02 0.00 0.00 177.57 178.57 3sqc h LEU 453 N -0.15 1.09 -0.86 2.57 4.07 -0.99 -0.80 115.31 120.24 3sqc h LEU 453 Ca 0.02 -0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.89 3sqc h LEU 453 Cb 0.55 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.03 3sqc h LEU 453 CO 0.02 0.75 -0.36 -0.08 -1.08 0.00 0.00 178.44 177.68 3sqc h GLU 454 N 1.26 0.00 0.19 1.13 4.81 -1.22 0.21 114.58 120.95 3sqc h GLU 454 Ca 0.40 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.62 3sqc h GLU 454 Cb -0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3sqc h GLU 454 CO -0.12 0.36 -0.09 0.00 -0.73 0.00 0.00 179.01 178.43 3sqc h PHE 456 N -0.64 0.86 -0.38 0.00 0.04 -1.22 -2.28 116.94 113.32 3sqc h PHE 456 Ca -0.03 0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.82 3sqc h PHE 456 Cb 0.46 -0.29 -0.06 0.00 2.20 0.00 0.00 35.95 38.27 3sqc h PHE 456 CO 0.04 0.57 -0.00 0.78 -0.60 0.00 0.00 178.31 179.10 3sqc h GLY 457 N 0.94 0.38 1.98 -1.45 0.00 -0.78 -0.83 103.07 103.30 3sqc h GLY 457 Ca 0.24 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.62 3sqc h GLY 457 CO -0.05 -0.09 0.01 1.48 0.00 0.00 0.00 176.54 177.89 3sqc h SER 458 N 0.10 0.00 -0.11 0.19 4.64 -0.78 -1.11 113.55 116.48 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 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3sqc h SER 458 CO -0.32 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.13 3sqc n PHE 459 N -4.12 0.19 -0.09 4.77 3.72 -0.33 -4.90 117.46 116.70 3sqc n PHE 459 Ca -0.03 -0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 3sqc n PHE 459 Cb 0.09 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 0.54 2.68 3.76 1.37 0.00 -0.42 -5.03 105.19 108.10 3sqc n GLY 460 Ca 0.04 0.00 -0.32 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 -3.04 2.55 0.00 1.61 1.51 -1.16 -5.02 117.35 113.79 3sqc s TYR 461 Ca 0.00 1.56 0.00 0.00 -1.01 0.00 0.00 57.07 57.62 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 -1.81 0.00 -0.40 -1.11 0.00 0.00 175.55 172.23 3sqc n ASP 462 N -2.90 0.00 0.32 2.29 5.68 -1.26 -4.50 116.55 116.18 3sqc n ASP 462 Ca 0.10 -0.40 0.20 0.00 -0.50 0.00 0.00 54.79 54.19 3sqc n ASP 462 Cb 0.52 0.00 1.07 0.00 -1.14 0.00 0.00 41.12 41.57 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 0.29 -1.12 3.58 -1.89 -2.26 116.42 115.03 3sqc h ASP 463 Ca 0.00 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.36 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 -0.37 0.00 -2.88 0.00 0.00 179.24 175.99 3sqc h ALA 464 N 1.90 1.29 -2.48 -0.78 0.00 -1.96 -3.38 119.26 113.86 3sqc h ALA 464 Ca 0.01 -0.36 -0.53 0.00 0.00 0.00 0.00 54.91 54.03 3sqc h ALA 464 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3sqc h ALA 464 CO -0.00 0.51 0.59 -0.46 0.00 0.00 0.00 179.25 179.88 3sqc s TRP 465 N -4.22 3.40 0.27 0.00 -0.00 -0.85 -4.95 118.94 112.59 3sqc s TRP 465 Ca -0.04 1.26 -0.01 0.00 -0.00 0.00 0.00 56.10 57.32 3sqc s TRP 465 Cb 0.14 -3.45 0.51 0.00 -0.00 0.00 0.00 33.47 30.68 3sqc s TRP 465 CO 0.74 -1.39 1.81 0.87 -0.00 0.00 0.00 176.95 178.98 3sqc h LYS 466 N 6.86 0.82 -0.02 5.86 1.57 -1.88 -1.92 116.57 127.86 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 1.21 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.30 3sqc h LYS 466 CO 0.82 0.54 -0.18 0.28 -0.57 0.00 0.00 179.45 180.35 3sqc h VAL 467 N 0.85 0.57 -0.39 0.50 2.07 -1.94 -1.76 116.25 116.15 3sqc h VAL 467 Ca 0.47 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.98 3sqc h VAL 467 Cb 0.51 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3sqc h VAL 467 CO -0.29 0.00 0.23 0.40 0.02 0.00 0.00 177.57 177.93 3sqc h ILE 468 N -0.28 1.13 -0.33 4.57 2.04 -1.74 -2.67 117.51 120.23 3sqc h ILE 468 Ca 0.06 -0.32 0.06 0.00 1.00 0.00 0.00 64.86 65.66 3sqc h ILE 468 Cb 0.36 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 3sqc h ILE 468 CO -0.18 0.14 0.00 -0.09 0.00 0.00 0.00 178.15 178.02 3sqc h ARG 469 N 0.51 0.09 -0.85 2.37 2.43 -1.01 0.13 114.38 118.05 3sqc h ARG 469 Ca 0.14 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.37 3sqc h ARG 469 Cb 0.02 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 3sqc h ARG 469 CO -0.03 0.06 0.55 0.00 -1.51 0.00 0.00 179.97 179.05 3sqc h ARG 470 N 0.10 0.90 -0.22 0.20 3.08 -1.21 0.24 114.38 117.47 3sqc h ARG 470 Ca 0.16 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 3sqc h ARG 470 Cb 0.22 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3sqc h ARG 470 CO -0.27 0.59 -0.07 0.00 -1.07 0.00 0.00 179.97 179.16 3sqc h ALA 471 N 1.55 0.30 -0.62 0.04 0.00 -0.89 -2.22 119.26 117.41 3sqc h ALA 471 Ca 0.37 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3sqc h ALA 471 Cb 0.24 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3sqc h ALA 471 CO -0.13 0.10 0.31 0.28 0.00 0.00 0.00 179.25 179.80 3sqc h VAL 472 N 0.15 1.21 -0.54 0.00 2.07 0.30 -1.57 116.25 117.88 3sqc h VAL 472 Ca 0.05 -0.59 0.08 0.00 0.82 0.00 0.00 66.70 67.06 3sqc h VAL 472 Cb 0.53 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 3sqc h VAL 472 CO 0.02 0.24 0.18 -0.33 0.02 0.00 0.00 177.57 177.71 3sqc h GLU 473 N 0.85 0.34 -0.29 1.57 4.39 -0.49 -1.35 114.58 119.60 3sqc h GLU 473 Ca 0.21 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.94 3sqc h GLU 473 Cb 0.11 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 3sqc h GLU 473 CO -0.03 0.23 0.02 -0.92 -1.16 0.00 0.00 179.01 177.14 3sqc h TYR 474 N 0.35 0.02 -0.64 4.33 3.20 -0.86 -2.61 116.97 120.76 3sqc h TYR 474 Ca 0.27 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 3sqc h TYR 474 Cb 0.32 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 3sqc h TYR 474 CO -0.18 -0.03 0.28 -0.07 -1.64 0.00 0.00 178.16 176.53 3sqc h LEU 475 N 0.11 0.85 -1.48 2.82 3.38 -0.57 -2.51 115.31 117.91 3sqc h LEU 475 Ca 0.14 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3sqc h LEU 475 Cb 0.17 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3sqc h LEU 475 CO -0.22 0.76 0.31 0.11 0.09 0.00 0.00 178.44 179.49 3sqc h LYS 476 N 0.88 0.66 0.00 1.13 1.57 -1.04 -2.16 116.57 117.60 3sqc h LYS 476 Ca 0.22 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 3sqc h LYS 476 Cb 0.15 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3sqc h LYS 476 CO -0.02 0.45 -0.48 0.00 -0.57 0.00 0.00 179.45 178.83 3sqc h ARG 477 N 0.67 0.00 0.00 3.15 3.08 -1.19 -3.23 114.38 116.86 3sqc h ARG 477 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3sqc h ARG 477 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3sqc h ARG 477 CO -0.04 0.48 -0.45 0.39 -1.07 0.00 0.00 179.97 179.28 3sqc n GLU 478 N -3.26 0.16 -1.70 0.04 -0.58 -0.87 -4.92 120.64 109.51 3sqc n GLU 478 Ca 0.02 0.06 -0.44 0.00 -0.42 0.00 0.00 57.16 56.38 3sqc n GLU 478 Cb 0.70 -1.61 -0.03 0.00 -0.57 0.00 0.00 31.44 29.93 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 -1.85 2.56 -2.16 3.49 7.27 -0.88 -4.84 117.38 120.97 3sqc n GLN 479 Ca 0.05 0.92 -0.36 0.00 0.07 0.00 0.00 57.00 57.68 3sqc n GLN 479 Cb 0.39 -2.76 0.01 0.00 2.41 0.00 0.00 30.24 30.30 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 1.52 3.35 0.33 3.69 3.01 0.67 -4.88 119.74 127.42 3sqc s LYS 480 Ca 0.78 1.77 0.13 0.00 -1.01 0.00 0.00 55.97 57.64 3sqc s LYS 480 Cb -0.56 -2.12 1.05 0.00 -1.01 0.00 0.00 37.83 35.19 3sqc s LYS 480 CO 0.36 -0.89 1.64 -1.35 0.51 0.00 0.00 175.35 175.62 3sqc h PRO 481 N 1.37 0.22 0.00 -1.68 0.11 -1.93 0.88 132.00 130.98 3sqc h PRO 481 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3sqc h PRO 481 Cb 1.27 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3sqc h PRO 481 CO 0.57 0.15 0.00 -0.40 -0.21 0.00 0.00 178.00 178.11 3sqc n ASP 482 N -5.15 0.00 0.00 -2.05 5.75 -1.26 -4.88 116.55 108.96 3sqc n ASP 482 Ca 0.30 -0.92 0.00 0.00 -0.01 0.00 0.00 54.79 54.16 3sqc n ASP 482 Cb 0.97 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.06 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 0.80 0.75 4.02 6.12 0.00 0.30 -4.79 105.19 112.40 3sqc n GLY 483 Ca 0.21 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.10 5.48 -0.09 1.61 1.04 -1.22 -3.88 113.70 114.53 3sqc s SER 484 Ca 0.00 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.91 3sqc s SER 484 Cb 0.00 -0.39 0.02 0.00 0.10 0.00 0.00 66.02 65.75 3sqc s SER 484 CO 0.00 -0.95 -0.07 0.26 0.98 0.00 0.00 173.24 173.46 3sqc s TRP 485 N -2.46 1.29 0.33 5.02 0.51 -1.26 -0.24 118.94 122.12 3sqc s TRP 485 Ca 0.57 -0.56 -0.29 0.00 -2.12 0.00 0.00 56.10 53.70 3sqc s TRP 485 Cb -0.09 -1.08 -0.12 0.00 -0.81 0.00 0.00 33.47 31.38 3sqc s TRP 485 CO 0.35 -0.40 1.46 0.34 -0.51 0.00 0.00 176.95 178.19 3sqc n PHE 486 N 4.63 2.67 -3.40 -1.98 7.35 -1.26 -2.74 117.46 122.72 3sqc n PHE 486 Ca -0.15 0.42 -0.44 0.00 -0.76 0.00 0.00 57.45 56.51 3sqc n PHE 486 Cb 0.50 -2.51 -0.08 0.00 0.35 0.00 0.00 39.48 37.74 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 0.06 2.02 -0.02 7.13 0.00 -1.21 -4.41 107.32 110.88 3sqc s GLY 487 Ca 0.59 -1.93 -0.20 0.00 0.00 0.00 0.00 44.72 43.18 3sqc s GLY 487 CO 0.57 1.03 0.96 -0.09 0.00 0.00 0.00 173.10 175.57 3sqc h ARG 488 N 8.72 0.39 0.00 2.90 9.65 -1.94 -3.37 114.38 130.72 3sqc h ARG 488 Ca -0.28 -0.60 0.00 0.00 -1.10 0.00 0.00 59.98 58.00 3sqc h ARG 488 Cb 1.11 0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.91 3sqc h ARG 488 CO 0.82 1.27 -0.88 0.91 2.80 0.00 0.00 179.97 184.89 3sqc n TRP 489 N -4.05 0.00 -4.24 2.20 7.02 -1.26 -4.70 117.44 112.41 3sqc n TRP 489 Ca -0.14 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.16 3sqc n TRP 489 Cb 0.86 -0.07 -0.11 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 -2.63 1.08 -0.63 6.99 0.00 -1.26 -1.71 107.32 109.16 3sqc s GLY 490 Ca 0.03 -1.29 -0.26 0.00 0.00 0.00 0.00 44.72 43.20 3sqc s GLY 490 CO 0.59 -1.35 2.43 -0.62 0.00 0.00 0.00 173.10 174.15 3sqc n VAL 491 N 0.55 -0.05 -0.67 1.40 0.31 -0.54 -4.53 118.33 114.80 3sqc n VAL 491 Ca -0.16 -0.65 0.00 0.00 -0.01 0.00 0.00 64.34 63.52 3sqc n VAL 491 Cb 0.57 -2.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.18 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 16.17 -0.16 -0.39 4.52 3.02 -1.26 -3.84 115.26 133.32 3sqc n ASN 492 Ca 0.43 0.00 0.36 0.00 -0.03 0.00 0.00 54.58 55.34 3sqc n ASN 492 Cb 0.47 0.00 0.63 0.00 -0.61 0.00 0.00 39.78 40.27 3sqc n ASN 492 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3sqc n TYR 493 N 0.00 0.96 -0.06 3.10 4.01 -1.25 0.10 117.16 124.02 3sqc n TYR 493 Ca 0.00 0.97 -0.08 0.00 -0.16 0.00 0.00 57.90 58.62 3sqc n TYR 493 Cb 0.00 -1.38 0.09 0.00 -0.31 0.00 0.00 39.34 37.73 3sqc n TYR 493 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3sqc h LEU 494 N 0.00 0.74 0.64 7.72 3.38 -1.82 0.80 115.31 126.77 3sqc h LEU 494 Ca 0.87 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 58.51 3sqc h LEU 494 Cb 2.53 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 43.09 3sqc h LEU 494 CO -0.63 0.99 -0.31 0.22 0.09 0.00 0.00 178.44 178.80 3sqc h TYR 495 N 0.60 -0.80 0.07 1.13 3.20 -0.44 -0.98 116.97 119.76 3sqc h TYR 495 Ca 0.07 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.93 3sqc h TYR 495 Cb 0.82 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 3sqc h TYR 495 CO 0.04 -0.48 -0.11 0.78 -1.64 0.00 0.00 178.16 176.75 3sqc h GLY 496 N -1.20 -0.19 1.01 1.82 0.00 -1.12 0.37 103.07 103.75 3sqc h GLY 496 Ca -0.09 0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.37 3sqc h GLY 496 CO 0.14 -0.11 0.62 -0.84 0.00 0.00 0.00 176.54 176.35 3sqc h THR 497 N -0.22 1.25 -0.11 4.70 2.02 -0.63 0.24 112.91 120.16 3sqc h THR 497 Ca 0.02 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 3sqc h THR 497 Cb 0.23 -0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.50 3sqc h THR 497 CO -0.06 0.24 0.05 1.23 0.37 0.00 0.00 175.52 177.36 3sqc h GLY 498 N 1.29 0.16 0.95 2.16 0.00 -0.88 -2.18 103.07 104.58 3sqc h GLY 498 Ca 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 3sqc h GLY 498 CO -0.07 0.08 0.18 0.00 0.00 0.00 0.00 176.54 176.72 3sqc h ALA 499 N 0.94 0.46 0.36 3.60 0.00 -0.13 -2.82 119.26 121.67 3sqc h ALA 499 Ca 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3sqc h ALA 499 Cb 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3sqc h ALA 499 CO -0.01 0.01 -0.17 0.28 0.00 0.00 0.00 179.25 179.36 3sqc h VAL 500 N 0.44 0.66 -0.28 0.00 2.07 -0.51 -1.92 116.25 116.71 3sqc h VAL 500 Ca 0.12 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.47 3sqc h VAL 500 Cb 0.10 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3sqc h VAL 500 CO -0.02 0.04 0.06 0.58 0.02 0.00 0.00 177.57 178.26 3sqc h VAL 501 N -0.60 0.87 0.00 2.57 2.07 -1.45 0.07 116.25 119.79 3sqc h VAL 501 Ca -0.05 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 3sqc h VAL 501 Cb 0.44 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3sqc h VAL 501 CO 0.08 0.03 -0.17 0.77 0.02 0.00 0.00 177.57 178.30 3sqc h SER 502 N 0.17 0.00 0.28 0.57 4.64 -1.52 -1.69 113.55 116.01 3sqc h SER 502 Ca 0.13 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 3sqc h SER 502 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3sqc h SER 502 CO -0.17 0.17 -0.14 0.00 -0.87 0.00 0.00 176.83 175.83 3sqc h ALA 503 N 1.83 -0.38 -0.98 5.18 0.00 -0.46 -2.77 119.26 121.67 3sqc h ALA 503 Ca -0.00 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 54.92 3sqc h ALA 503 Cb 0.41 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 3sqc h ALA 503 CO 0.02 -0.45 0.62 -0.07 0.00 0.00 0.00 179.25 179.37 3sqc h LEU 504 N -0.91 0.63 -0.17 0.00 3.38 -0.68 0.77 115.31 118.33 3sqc h LEU 504 Ca -0.04 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3sqc h LEU 504 Cb 0.51 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3sqc h LEU 504 CO 0.06 0.22 -0.01 0.50 0.09 0.00 0.00 178.44 179.30 3sqc h LYS 505 N 0.61 0.32 0.00 1.13 3.11 -1.37 -2.59 116.57 117.78 3sqc h LYS 505 Ca 0.55 -0.11 -0.00 0.00 -2.81 0.00 0.00 60.65 58.28 3sqc h LYS 505 Cb 1.06 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 32.26 3sqc h LYS 505 CO -0.30 0.55 -0.01 0.00 -2.81 0.00 0.00 179.45 176.87 3sqc h ALA 506 N 0.76 1.67 -0.53 5.00 0.00 -0.57 -2.36 119.26 123.21 3sqc h ALA 506 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3sqc h ALA 506 Cb 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3sqc h ALA 506 CO 0.01 0.02 0.00 1.33 0.00 0.00 0.00 179.25 180.61 3sqc n VAL 507 N -4.07 1.01 0.00 0.00 0.24 -0.75 -4.58 118.33 110.18 3sqc n VAL 507 Ca -0.03 -0.80 0.00 0.00 -2.04 0.00 0.00 64.34 61.47 3sqc n VAL 507 Cb 0.10 0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 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 1.20 1.14 3.64 7.63 0.00 -0.89 -2.72 105.19 115.18 3sqc n GLY 508 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 3.22 -2.71 -0.61 2.08 -0.99 -4.92 119.36 113.43 3sqc n ILE 509 Ca 0.00 -0.40 -0.43 0.00 0.56 0.00 0.00 62.75 62.49 3sqc n ILE 509 Cb 0.00 -1.18 -0.03 0.00 -0.75 0.00 0.00 39.64 37.68 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 -1.59 6.67 0.14 4.38 2.15 -1.26 -4.68 116.67 122.48 3sqc s ASP 510 Ca 0.75 0.53 0.10 0.00 0.43 0.00 0.00 52.55 54.36 3sqc s ASP 510 Cb -0.35 -2.50 0.51 0.00 -0.30 0.00 0.00 42.92 40.28 3sqc s ASP 510 CO 0.48 -1.03 1.29 0.35 -0.17 0.00 0.00 175.17 176.09 3sqc n THR 511 N 6.33 1.57 0.20 1.71 -2.24 -1.26 -2.07 114.28 118.53 3sqc n THR 511 Ca 0.09 0.59 0.08 0.00 -2.27 0.00 0.00 64.05 62.55 3sqc n THR 511 Cb 0.48 -1.59 0.35 0.00 -2.10 0.00 0.00 70.33 67.47 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 -6.18 -0.78 2.43 -1.90 -3.39 114.38 104.57 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 0.01 0.00 0.18 0.00 -0.42 0.00 0.00 29.97 29.74 3sqc h ARG 512 CO 0.00 0.27 -0.91 0.39 -1.51 0.00 0.00 179.97 178.21 3sqc n GLU 513 N -3.35 0.17 0.15 0.20 -0.58 -0.88 -4.75 120.64 111.59 3sqc n GLU 513 Ca 0.01 0.07 -0.14 0.00 -0.42 0.00 0.00 57.16 56.67 3sqc n GLU 513 Cb 0.50 -1.24 -0.08 0.00 -0.57 0.00 0.00 31.44 30.05 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 0.04 -0.30 -0.15 3.49 0.11 -1.92 -2.23 132.00 131.03 3sqc h PRO 514 Ca -0.43 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 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 0.43 -0.14 0.03 0.10 -0.21 0.00 0.00 178.00 178.21 3sqc h TYR 515 N -0.39 0.21 -0.06 0.65 -0.00 -1.97 0.28 116.97 115.69 3sqc h TYR 515 Ca -0.03 -0.00 -0.17 0.00 -0.00 0.00 0.00 58.73 58.52 3sqc h TYR 515 Cb 0.30 -0.07 0.01 0.00 -0.00 0.00 0.00 36.73 36.97 3sqc h TYR 515 CO -0.04 0.20 -0.62 0.82 -0.00 0.00 0.00 178.16 178.52 3sqc h ILE 516 N 0.22 1.37 -0.74 -0.90 2.04 -1.87 -2.85 117.51 114.78 3sqc h ILE 516 Ca 0.05 -1.97 -0.03 0.00 1.00 0.00 0.00 64.86 63.92 3sqc h ILE 516 Cb 0.10 2.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.47 3sqc h ILE 516 CO -0.00 0.59 0.35 1.56 0.00 0.00 0.00 178.15 180.65 3sqc h GLN 517 N 0.12 1.07 -0.90 2.37 1.08 -1.01 0.71 115.11 118.55 3sqc h GLN 517 Ca -0.06 -0.16 0.07 0.00 -1.45 0.00 0.00 58.65 57.05 3sqc h GLN 517 Cb 1.29 -0.19 -0.06 0.00 -0.05 0.00 0.00 27.48 28.47 3sqc h GLN 517 CO 0.13 0.84 0.58 -0.22 -0.95 0.00 0.00 178.83 179.21 3sqc h LYS 518 N 1.04 0.98 -0.04 1.46 3.64 -0.95 0.34 116.57 123.03 3sqc h LYS 518 Ca 0.25 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 3sqc h LYS 518 Cb 0.13 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3sqc h LYS 518 CO -0.03 0.65 -0.34 0.00 -2.27 0.00 0.00 179.45 177.46 3sqc h ALA 519 N 1.52 0.10 -0.84 5.00 0.00 -1.19 -2.64 119.26 121.20 3sqc h ALA 519 Ca 0.39 -0.46 0.10 0.00 0.00 0.00 0.00 54.91 54.93 3sqc h ALA 519 Cb 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 3sqc h ALA 519 CO -0.15 0.18 0.49 -0.07 0.00 0.00 0.00 179.25 179.70 3sqc h LEU 520 N -0.22 0.70 -0.25 0.00 4.07 -0.03 -1.03 115.31 118.55 3sqc h LEU 520 Ca -0.03 0.05 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 3sqc h LEU 520 Cb 1.02 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.66 3sqc h LEU 520 CO 0.07 0.40 0.14 0.44 -1.08 0.00 0.00 178.44 178.41 3sqc h ASP 521 N 0.82 0.31 -0.84 -0.43 3.32 -0.37 -2.83 116.42 116.40 3sqc h ASP 521 Ca 0.41 -0.07 0.15 0.00 0.02 0.00 0.00 57.03 57.53 3sqc h ASP 521 Cb 0.37 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 39.75 3sqc h ASP 521 CO -0.25 0.30 0.43 -0.25 -1.72 0.00 0.00 179.24 177.75 3sqc h TRP 522 N 0.31 0.75 -0.35 4.55 7.01 -0.84 -1.31 115.95 126.06 3sqc h TRP 522 Ca 0.09 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.13 3sqc h TRP 522 Cb 0.05 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 26.89 3sqc h TRP 522 CO -0.04 0.17 0.23 0.28 -2.79 0.00 0.00 178.44 176.29 3sqc h VAL 523 N 0.61 1.09 -0.49 2.65 2.07 -1.10 -2.92 116.25 118.17 3sqc h VAL 523 Ca 0.46 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.80 3sqc h VAL 523 Cb 0.65 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3sqc h VAL 523 CO -0.37 0.09 0.27 -0.33 0.02 0.00 0.00 177.57 177.25 3sqc h GLU 524 N 0.47 0.66 0.00 1.57 5.08 -1.13 -2.60 114.58 118.64 3sqc h GLU 524 Ca 0.13 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3sqc h GLU 524 Cb -0.05 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.06 3sqc h GLU 524 CO -0.03 0.49 0.00 1.04 -1.00 0.00 0.00 179.01 179.51 3sqc n GLN 525 N -4.42 0.73 -0.00 2.33 6.02 -0.93 -3.17 117.38 117.94 3sqc n GLN 525 Ca 0.04 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3sqc n GLN 525 Cb 0.09 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.86 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 -1.05 0.01 -2.01 1.08 8.25 -0.98 -5.02 115.22 115.50 3sqc n HIS 526 Ca 0.18 -0.36 -0.42 0.00 -0.26 0.00 0.00 57.72 56.86 3sqc n HIS 526 Cb 0.11 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.73 4.24 0.66 -0.41 0.74 -1.19 -4.67 119.66 118.30 3sqc s GLN 527 Ca 0.01 2.25 -0.12 0.00 0.05 0.00 0.00 55.36 57.55 3sqc s GLN 527 Cb 0.00 -3.33 -0.01 0.00 1.10 0.00 0.00 33.01 30.77 3sqc s GLN 527 CO 0.01 -0.60 1.06 -0.80 -0.55 0.00 0.00 175.29 174.40 3sqc s ASN 528 N 1.54 5.55 0.33 6.67 0.01 0.05 -4.92 114.94 124.16 3sqc s ASN 528 Ca 0.69 1.66 0.09 0.00 -0.71 0.00 0.00 52.86 54.59 3sqc s ASN 528 Cb -0.40 -2.50 0.85 0.00 0.41 0.00 0.00 41.25 39.60 3sqc s ASN 528 CO 0.31 -1.33 1.77 1.55 -1.51 0.00 0.00 177.10 177.89 3sqc h PRO 529 N -0.36 0.63 0.00 -0.60 0.13 -1.94 0.10 132.00 129.96 3sqc h PRO 529 Ca -0.45 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3sqc h PRO 529 Cb 1.21 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3sqc h PRO 529 CO 0.57 0.42 0.00 -0.40 -0.23 0.00 0.00 178.00 178.36 3sqc n ASP 530 N -4.77 0.00 0.00 1.44 5.68 -1.26 -4.85 116.55 112.79 3sqc n ASP 530 Ca 0.24 0.45 0.00 0.00 -0.50 0.00 0.00 54.79 54.99 3sqc n ASP 530 Cb 0.67 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 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 -0.62 3.35 1.10 6.12 0.00 0.36 -4.61 105.19 110.90 3sqc n GLY 531 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.76 1.18 3.32 -0.02 0.00 -1.26 -3.01 105.19 103.64 3sqc n GLY 532 Ca 0.00 -2.04 -0.22 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.45 1.79 -0.02 1.61 0.51 -1.26 -0.77 118.94 120.35 3sqc s TRP 533 Ca 0.18 -0.47 -0.21 0.00 -2.12 0.00 0.00 56.10 53.48 3sqc s TRP 533 Cb -0.01 -0.90 0.04 0.00 -0.81 0.00 0.00 33.47 31.79 3sqc s TRP 533 CO 0.12 0.30 0.47 0.20 -0.51 0.00 0.00 176.95 177.53 3sqc s GLY 534 N -2.57 -0.34 -0.21 0.98 0.00 -1.25 -1.46 107.32 102.48 3sqc s GLY 534 Ca 0.14 0.69 -0.04 0.00 0.00 0.00 0.00 44.72 45.51 3sqc s GLY 534 CO 0.06 0.42 0.35 1.85 0.00 0.00 0.00 173.10 175.78 3sqc s GLU 535 N -1.49 0.29 0.50 2.90 2.12 -1.25 -2.82 118.70 118.94 3sqc s GLU 535 Ca -0.11 0.69 -0.18 0.00 0.36 0.00 0.00 54.97 55.73 3sqc s GLU 535 Cb -0.03 -0.22 -0.08 0.00 0.26 0.00 0.00 34.13 34.06 3sqc s GLU 535 CO 0.05 -0.46 0.99 0.34 -0.54 0.00 0.00 175.26 175.64 3sqc s ASP 536 N 2.52 6.60 0.08 -1.70 2.15 0.13 -4.86 116.67 121.59 3sqc s ASP 536 Ca 0.06 1.65 0.09 0.00 0.43 0.00 0.00 52.55 54.78 3sqc s ASP 536 Cb -0.14 -2.52 0.44 0.00 -0.30 0.00 0.00 42.92 40.40 3sqc s ASP 536 CO -0.13 -0.60 1.29 0.00 -0.17 0.00 0.00 175.17 175.56 3sqc n ARG 538 N -1.69 0.08 0.00 0.00 1.74 -1.26 -3.14 116.66 112.39 3sqc n ARG 538 Ca 0.01 0.37 0.05 0.00 -0.77 0.00 0.00 57.85 57.51 3sqc n ARG 538 Cb 0.07 -1.67 0.29 0.00 -1.02 0.00 0.00 32.46 30.13 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 -1.82 0.00 -0.04 0.55 3.41 -0.87 -0.79 113.62 114.06 3sqc n SER 539 Ca 0.02 -0.07 -0.07 0.00 -0.26 0.00 0.00 58.87 58.50 3sqc n SER 539 Cb 0.17 -0.16 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.16 0.65 -0.08 7.33 4.01 -1.19 -4.54 117.16 122.18 3sqc n TYR 540 Ca 0.06 0.23 -0.09 0.00 -0.16 0.00 0.00 57.90 57.94 3sqc n TYR 540 Cb 0.06 -1.09 -0.04 0.00 -0.31 0.00 0.00 39.34 37.97 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 -2.90 0.49 -3.49 -0.72 -0.58 -0.60 -4.86 120.64 107.98 3sqc n GLU 541 Ca -0.20 0.45 -0.42 0.00 -0.42 0.00 0.00 57.16 56.57 3sqc n GLU 541 Cb 1.03 -1.63 -0.10 0.00 -0.57 0.00 0.00 31.44 30.17 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 -6.01 6.00 0.00 1.62 2.15 0.03 -4.96 116.67 115.50 3sqc s ASP 542 Ca -0.21 -0.98 0.04 0.00 0.43 0.00 0.00 52.55 51.84 3sqc s ASP 542 Cb 0.04 -2.12 0.24 0.00 -0.30 0.00 0.00 42.92 40.77 3sqc s ASP 542 CO 0.33 -0.45 0.89 -0.81 -0.17 0.00 0.00 175.17 174.96 3sqc n PRO 543 N 5.11 0.09 0.07 4.34 -0.04 -1.26 -1.35 135.00 141.96 3sqc n PRO 543 Ca -0.11 0.16 -0.04 0.00 -0.04 0.00 0.00 63.50 63.47 3sqc n PRO 543 Cb 0.46 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.34 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 2.23 0.48 0.00 0.55 0.00 -1.92 -3.25 119.26 117.35 3sqc h ALA 544 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3sqc h ALA 544 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3sqc h ALA 544 CO 0.00 1.09 0.00 0.66 0.00 0.00 0.00 179.25 181.00 3sqc n TYR 545 N -3.28 0.00 -1.58 0.00 4.01 -0.46 -4.80 117.16 111.06 3sqc n TYR 545 Ca -0.01 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.27 3sqc n TYR 545 Cb 0.89 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.87 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 1.43 -1.01 -0.72 0.00 -1.23 -0.24 120.51 117.87 3sqc n ALA 546 Ca 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 53.44 53.53 3sqc n ALA 546 Cb 0.07 -2.73 -0.00 0.00 0.00 0.00 0.00 19.45 16.79 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 5.64 0.46 3.53 0.00 0.00 -1.26 -5.02 105.19 108.53 3sqc n GLY 547 Ca 0.31 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.59 2.74 0.00 1.61 1.02 0.67 -4.66 119.74 120.53 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 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 34.78 3sqc s LYS 548 CO 0.00 0.60 0.00 0.41 -0.92 0.00 0.00 175.35 175.44 3sqc n GLY 549 N 2.39 3.07 3.78 -3.33 0.00 -1.13 0.21 105.19 110.18 3sqc n GLY 549 Ca -0.18 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 3sqc n GLY 549 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3sqc s ALA 550 N -2.00 3.56 0.31 4.61 0.00 -1.26 -3.80 121.76 123.17 3sqc s ALA 550 Ca 0.00 1.59 -0.30 0.00 0.00 0.00 0.00 51.96 53.25 3sqc s ALA 550 Cb 0.00 -3.62 -0.11 0.00 0.00 0.00 0.00 23.12 19.39 3sqc s ALA 550 CO 0.00 -1.10 1.57 -1.12 0.00 0.00 0.00 175.76 175.11 3sqc s SER 551 N -0.15 6.38 0.09 0.00 0.01 -1.26 -4.16 113.70 114.61 3sqc s SER 551 Ca 0.54 2.96 0.06 0.00 1.31 0.00 0.00 55.95 60.82 3sqc s SER 551 Cb -0.47 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.09 3sqc s SER 551 CO 0.63 -0.90 -0.16 0.42 0.41 0.00 0.00 173.24 173.65 3sqc s THR 552 N -0.23 1.30 0.13 1.44 -4.23 -0.53 -4.91 115.64 108.61 3sqc s THR 552 Ca 0.61 -1.45 -0.21 0.00 -1.18 0.00 0.00 61.69 59.47 3sqc s THR 552 Cb -0.47 -1.28 -0.02 0.00 1.34 0.00 0.00 72.50 72.06 3sqc s THR 552 CO 0.51 -0.22 1.69 -0.65 -0.54 0.00 0.00 174.62 175.41 3sqc h PRO 553 N 4.08 -0.06 0.95 3.99 0.11 -1.87 -1.48 132.00 137.71 3sqc h PRO 553 Ca -0.42 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 3sqc h PRO 553 Cb 1.19 0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.32 3sqc h PRO 553 CO 0.42 -0.04 -0.46 0.66 -0.21 0.00 0.00 178.00 178.37 3sqc h SER 554 N -0.06 -1.08 -0.29 -2.05 4.64 -1.83 -1.20 113.55 111.68 3sqc h SER 554 Ca 0.10 0.04 0.08 0.00 -0.47 0.00 0.00 61.79 61.54 3sqc h SER 554 Cb 0.21 0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 3sqc h SER 554 CO -0.22 -0.75 0.21 1.56 -0.87 0.00 0.00 176.83 176.75 3sqc h GLN 555 N -1.31 0.00 -0.01 4.77 4.20 -1.82 0.60 115.11 121.53 3sqc h GLN 555 Ca -0.13 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 3sqc h GLN 555 Cb 0.98 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.76 3sqc h GLN 555 CO 0.21 0.00 -0.01 1.15 -0.67 0.00 0.00 178.83 179.51 3sqc h THR 556 N 0.00 1.41 -0.31 -0.54 2.02 -1.14 -2.71 112.91 111.64 3sqc h THR 556 Ca 0.14 -1.22 0.06 0.00 0.77 0.00 0.00 66.41 66.15 3sqc h THR 556 Cb 0.55 2.21 -0.02 0.00 -1.74 0.00 0.00 68.15 69.16 3sqc h THR 556 CO -0.00 0.32 0.21 0.00 0.37 0.00 0.00 175.52 176.42 3sqc h ALA 557 N 0.49 2.10 0.03 6.16 0.00 0.20 -0.46 119.26 127.78 3sqc h ALA 557 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3sqc h ALA 557 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3sqc h ALA 557 CO 0.00 -0.16 -0.01 -1.49 0.00 0.00 0.00 179.25 177.59 3sqc h TRP 558 N 0.15 -0.03 -0.28 0.00 6.55 -0.87 -2.19 115.95 119.27 3sqc h TRP 558 Ca 0.14 -0.00 -0.03 0.00 0.95 0.00 0.00 58.89 59.95 3sqc h TRP 558 Cb 0.36 0.01 -0.02 0.00 -0.86 0.00 0.00 29.16 28.66 3sqc h TRP 558 CO -0.00 0.43 0.03 0.00 -1.05 0.00 0.00 178.44 177.86 3sqc h ALA 559 N 0.44 1.54 0.13 1.49 0.00 -1.08 -2.24 119.26 119.53 3sqc h ALA 559 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3sqc h ALA 559 Cb 0.48 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3sqc h ALA 559 CO 0.01 0.34 -0.06 -0.07 0.00 0.00 0.00 179.25 179.47 3sqc h LEU 560 N 0.41 -0.15 -1.67 0.00 -0.00 -1.06 -2.07 115.31 110.78 3sqc h LEU 560 Ca 0.09 -0.03 0.03 0.00 -0.00 0.00 0.00 57.88 57.97 3sqc h LEU 560 Cb 0.22 0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 40.90 3sqc h LEU 560 CO 0.00 -0.06 0.28 0.24 -0.00 0.00 0.00 178.44 178.89 3sqc h MET 561 N -0.22 0.42 -0.01 1.13 2.86 -0.94 0.20 114.93 118.36 3sqc h MET 561 Ca -0.02 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3sqc h MET 561 Cb 0.17 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 3sqc h MET 561 CO 0.03 0.28 0.00 0.00 1.06 0.00 0.00 176.91 178.28 3sqc h ALA 562 N 1.76 0.01 -0.53 6.32 0.00 -1.04 -1.53 119.26 124.25 3sqc h ALA 562 Ca 0.17 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3sqc h ALA 562 Cb 0.14 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3sqc h ALA 562 CO -0.04 -0.41 -0.10 -0.07 0.00 0.00 0.00 179.25 178.63 3sqc h LEU 563 N -0.15 1.01 -0.50 0.00 3.38 -0.64 -0.77 115.31 117.64 3sqc h LEU 563 Ca 0.00 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 3sqc h LEU 563 Cb 0.16 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3sqc h LEU 563 CO -0.00 1.12 0.22 0.40 0.09 0.00 0.00 178.44 180.27 3sqc h ILE 564 N 0.88 1.20 -0.46 1.22 2.04 -0.59 -0.94 117.51 120.87 3sqc h ILE 564 Ca 0.14 -0.61 -0.14 0.00 1.00 0.00 0.00 64.86 65.25 3sqc h ILE 564 Cb 0.67 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3sqc h ILE 564 CO 0.05 0.23 -0.26 0.00 0.00 0.00 0.00 178.15 178.17 3sqc h ALA 565 N 1.06 0.66 0.00 1.87 0.00 -1.21 -2.98 119.26 118.66 3sqc h ALA 565 Ca 0.17 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3sqc h ALA 565 Cb 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3sqc h ALA 565 CO -0.02 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.32 3sqc n GLY 566 N -0.04 -0.79 0.99 0.00 0.00 -0.30 -4.87 105.19 100.18 3sqc n GLY 566 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.45 3.17 1.12 -0.02 0.00 -1.01 -4.90 105.19 104.01 3sqc n GLY 567 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.18 0.60 0.08 1.61 3.00 -0.39 -4.03 116.66 116.35 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 -1.20 0.17 0.00 0.00 0.00 0.00 32.46 31.43 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 2.04 0.98 0.00 7.54 0.00 -1.79 -2.91 119.26 125.12 3sqc h ALA 569 Ca 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 3sqc h ALA 569 Cb 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3sqc h ALA 569 CO 0.00 0.65 -0.42 1.49 0.00 0.00 0.00 179.25 180.96 3sqc h GLU 570 N 0.22 0.00 -6.37 0.00 4.57 -1.93 -3.41 114.58 107.66 3sqc h GLU 570 Ca 0.01 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.67 3sqc h GLU 570 Cb 0.93 0.00 0.23 0.00 -0.16 0.00 0.00 28.75 29.76 3sqc h GLU 570 CO 0.08 0.42 -1.40 0.45 -1.18 0.00 0.00 179.01 177.38 3sqc n SER 571 N -3.42 -3.81 0.02 1.04 2.88 -1.10 -4.83 113.62 104.39 3sqc n SER 571 Ca 0.00 0.18 -0.13 0.00 -1.33 0.00 0.00 58.87 57.60 3sqc n SER 571 Cb 0.59 -0.92 -0.09 0.00 -0.75 0.00 0.00 64.21 63.03 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 -1.33 -0.09 -0.99 -1.46 4.39 -1.90 -3.05 114.58 110.13 3sqc h GLU 572 Ca -0.44 0.01 0.24 0.00 0.34 0.00 0.00 59.36 59.50 3sqc h GLU 572 Cb 1.31 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.90 3sqc h GLU 572 CO 0.29 0.39 0.64 0.00 -1.16 0.00 0.00 179.01 179.17 3sqc h ALA 573 N 0.20 2.18 0.76 3.43 0.00 -1.92 0.60 119.26 124.51 3sqc h ALA 573 Ca -0.01 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3sqc h ALA 573 Cb 0.53 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.33 3sqc h ALA 573 CO 0.02 -0.54 -0.37 0.00 0.00 0.00 0.00 179.25 178.36 3sqc h ALA 574 N 1.61 -1.02 -0.41 0.00 0.00 -1.79 -2.21 119.26 115.45 3sqc h ALA 574 Ca 0.55 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.26 3sqc h ALA 574 Cb 1.34 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 3sqc h ALA 574 CO -0.26 -0.95 0.27 -0.09 0.00 0.00 0.00 179.25 178.22 3sqc h ARG 575 N -1.27 0.45 -0.34 0.00 2.43 -1.30 -1.30 114.38 113.05 3sqc h ARG 575 Ca -0.10 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 3sqc h ARG 575 Cb 0.78 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 3sqc h ARG 575 CO 0.17 0.30 0.15 0.00 -1.51 0.00 0.00 179.97 179.08 3sqc h ARG 576 N 0.46 0.50 -0.46 0.20 2.47 -0.92 -1.72 114.38 114.91 3sqc h ARG 576 Ca 0.16 -0.08 -0.04 0.00 -1.26 0.00 0.00 59.98 58.76 3sqc h ARG 576 Cb 0.08 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 3sqc h ARG 576 CO -0.04 0.48 0.13 0.78 0.56 0.00 0.00 179.97 181.88 3sqc h GLY 577 N 0.40 0.77 1.13 0.04 0.00 -0.67 -2.29 103.07 102.45 3sqc h GLY 577 Ca 0.11 -0.47 0.04 0.00 0.00 0.00 0.00 47.33 47.02 3sqc h GLY 577 CO -0.01 0.44 0.48 -2.08 0.00 0.00 0.00 176.54 175.36 3sqc h VAL 578 N 0.61 1.08 -0.39 4.60 2.07 -1.11 -0.75 116.25 122.35 3sqc h VAL 578 Ca 0.15 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 3sqc h VAL 578 Cb 0.29 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3sqc h VAL 578 CO -0.00 0.15 0.23 1.56 0.02 0.00 0.00 177.57 179.53 3sqc h GLN 579 N 0.84 0.53 -0.44 1.57 1.08 -0.84 -0.58 115.11 117.27 3sqc h GLN 579 Ca 0.30 -0.05 0.09 0.00 -1.45 0.00 0.00 58.65 57.54 3sqc h GLN 579 Cb 0.12 -0.11 -0.08 0.00 -0.05 0.00 0.00 27.48 27.36 3sqc h GLN 579 CO -0.09 0.40 -0.11 -0.92 -0.95 0.00 0.00 178.83 177.16 3sqc h TYR 580 N 0.51 -0.25 -0.59 2.96 5.03 -0.61 0.84 116.97 124.86 3sqc h TYR 580 Ca 0.14 0.04 -0.09 0.00 2.58 0.00 0.00 58.73 61.40 3sqc h TYR 580 Cb 0.01 0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.45 3sqc h TYR 580 CO -0.03 -0.19 0.01 -0.07 -1.32 0.00 0.00 178.16 176.55 3sqc h LEU 581 N -0.01 1.00 -0.49 2.82 3.38 -1.00 0.08 115.31 121.08 3sqc h LEU 581 Ca 0.21 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3sqc h LEU 581 Cb 0.33 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3sqc h LEU 581 CO -0.46 1.04 0.09 0.58 0.09 0.00 0.00 178.44 179.78 3sqc h VAL 582 N 0.94 1.25 -0.04 1.22 2.07 -0.25 -2.78 116.25 118.66 3sqc h VAL 582 Ca 0.17 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 3sqc h VAL 582 Cb 0.53 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3sqc h VAL 582 CO 0.03 0.32 -0.09 -0.33 0.02 0.00 0.00 177.57 177.52 3sqc h GLU 583 N 0.68 0.13 0.00 1.57 5.08 -0.70 -3.25 114.58 118.09 3sqc h GLU 583 Ca 0.15 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3sqc h GLU 583 Cb 0.38 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3sqc h GLU 583 CO 0.01 0.70 0.00 0.25 -1.00 0.00 0.00 179.01 178.96 3sqc n THR 584 N -4.68 0.71 -1.89 1.13 -2.24 -0.00 -4.85 114.28 102.47 3sqc n THR 584 Ca -0.08 0.18 -0.38 0.00 -2.27 0.00 0.00 64.05 61.50 3sqc n THR 584 Cb 0.36 -0.90 0.03 0.00 -2.10 0.00 0.00 70.33 67.72 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 -2.80 3.23 0.62 -0.78 0.74 -1.05 -4.70 119.66 114.92 3sqc s GLN 585 Ca 0.12 2.12 -0.07 0.00 0.05 0.00 0.00 55.36 57.58 3sqc s GLN 585 Cb 0.11 -2.25 0.02 0.00 1.10 0.00 0.00 33.01 31.98 3sqc s GLN 585 CO 0.28 -1.08 0.94 1.03 -0.55 0.00 0.00 175.29 175.90 3sqc s ARG 586 N -2.91 2.83 0.54 1.67 0.52 0.87 -4.98 118.95 117.50 3sqc s ARG 586 Ca 0.71 0.03 0.32 0.00 -0.52 0.00 0.00 55.73 56.26 3sqc s ARG 586 Cb -0.37 -2.23 1.50 0.00 0.52 0.00 0.00 34.95 34.37 3sqc s ARG 586 CO 0.44 -0.80 2.05 -1.35 0.02 0.00 0.00 175.30 175.66 3sqc h PRO 587 N -0.28 0.00 0.00 3.54 0.11 -1.95 -2.61 132.00 130.80 3sqc h PRO 587 Ca -0.45 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 3sqc h PRO 587 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3sqc h PRO 587 CO 0.61 0.07 -0.64 0.38 -0.21 0.00 0.00 178.00 178.22 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 0.41 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.70 3sqc h ASP 588 CO 0.01 0.23 0.00 0.61 -2.04 0.00 0.00 179.24 178.05 3sqc n GLY 589 N 1.20 1.93 2.65 7.15 0.00 -0.98 -4.51 105.19 112.64 3sqc n GLY 589 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.84 3.18 -0.02 0.00 -1.26 -4.13 105.19 102.12 3sqc n GLY 590 Ca 0.00 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.74 0.98 0.23 1.61 0.51 -1.26 -0.09 118.94 118.17 3sqc s TRP 591 Ca 0.50 -0.84 0.06 0.00 -2.12 0.00 0.00 56.10 53.71 3sqc s TRP 591 Cb -0.02 -0.54 -0.04 0.00 -0.81 0.00 0.00 33.47 32.06 3sqc s TRP 591 CO 0.35 -0.08 0.20 -0.51 -0.51 0.00 0.00 176.95 176.39 3sqc s ASP 592 N -2.96 5.59 -0.44 2.95 1.01 -1.26 -4.77 116.67 116.79 3sqc s ASP 592 Ca 0.11 -0.20 0.07 0.00 0.71 0.00 0.00 52.55 53.25 3sqc s ASP 592 Cb 0.03 -1.45 0.18 0.00 1.01 0.00 0.00 42.92 42.69 3sqc s ASP 592 CO -0.03 -0.02 0.64 -0.70 0.21 0.00 0.00 175.17 175.27 3sqc s GLU 593 N -3.68 0.88 0.00 8.23 2.12 -1.26 -4.52 118.70 120.47 3sqc s GLU 593 Ca 0.33 -0.51 0.08 0.00 0.36 0.00 0.00 54.97 55.22 3sqc s GLU 593 Cb -0.08 0.01 0.46 0.00 0.26 0.00 0.00 34.13 34.78 3sqc s GLU 593 CO 0.25 -1.23 0.97 -0.35 -0.54 0.00 0.00 175.26 174.37 3sqc n PRO 594 N 4.03 0.59 -4.38 4.30 -0.04 -1.26 -4.75 135.00 133.48 3sqc n PRO 594 Ca 0.13 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.30 3sqc n PRO 594 Cb 0.56 -1.20 -0.13 0.00 -0.04 0.00 0.00 33.50 32.69 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 2.28 0.17 0.54 2.02 -1.26 -4.75 117.35 114.34 3sqc s TYR 595 Ca 0.12 -0.38 -0.28 0.00 -0.37 0.00 0.00 57.07 56.15 3sqc s TYR 595 Cb 0.05 -1.23 -0.08 0.00 -0.40 0.00 0.00 41.96 40.31 3sqc s TYR 595 CO 0.09 0.33 0.89 0.71 -1.57 0.00 0.00 175.55 176.00 3sqc s TYR 596 N -1.08 3.90 -0.08 2.71 1.51 -1.26 -4.94 117.35 118.12 3sqc s TYR 596 Ca 0.14 1.78 0.12 0.00 -1.01 0.00 0.00 57.07 58.10 3sqc s TYR 596 Cb -0.10 -2.93 0.23 0.00 -0.11 0.00 0.00 41.96 39.05 3sqc s TYR 596 CO 0.06 0.39 1.11 0.25 -1.11 0.00 0.00 175.55 176.25 3sqc n THR 597 N 1.97 1.02 -4.73 -0.71 -2.24 -1.22 -4.82 114.28 103.55 3sqc n THR 597 Ca -0.02 -1.47 -0.29 0.00 -2.27 0.00 0.00 64.05 60.00 3sqc n THR 597 Cb 0.48 0.20 -0.14 0.00 -2.10 0.00 0.00 70.33 68.77 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 -2.17 1.43 -0.12 3.38 0.00 0.13 -1.47 107.32 108.50 3sqc s GLY 598 Ca 0.23 -1.31 0.03 0.00 0.00 0.00 0.00 44.72 43.66 3sqc s GLY 598 CO -0.03 -1.23 -0.21 -1.59 0.00 0.00 0.00 173.10 170.04 3sqc s THR 599 N -0.88 2.20 -0.05 0.90 2.01 -0.69 -0.90 115.64 118.22 3sqc s THR 599 Ca 0.12 -0.95 -0.03 0.00 0.31 0.00 0.00 61.69 61.14 3sqc s THR 599 Cb -0.10 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 3sqc s THR 599 CO 0.03 0.55 -0.07 0.61 -0.69 0.00 0.00 174.62 175.05 3sqc n GLY 600 N 3.80 -0.66 2.87 4.40 0.00 0.62 -4.57 105.19 111.65 3sqc n GLY 600 Ca -0.19 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 3sqc n GLY 600 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3sqc s PHE 601 N -1.44 1.22 -0.38 1.61 0.08 -0.56 -4.95 117.98 113.56 3sqc s PHE 601 Ca -0.05 -0.55 -0.41 0.00 0.12 0.00 0.00 56.93 56.04 3sqc s PHE 601 Cb 0.01 -1.08 -0.16 0.00 -0.57 0.00 0.00 43.02 41.22 3sqc s PHE 601 CO 0.08 -0.44 1.94 -2.30 -0.10 0.00 0.00 175.22 174.40 3sqc n PRO 602 N 4.95 0.71 -0.03 0.24 -0.02 -1.26 -0.65 135.00 138.94 3sqc n PRO 602 Ca -0.11 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3sqc n PRO 602 Cb 0.50 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 5.59 2.54 0.00 -1.23 0.00 -1.26 -4.81 105.19 106.02 3sqc n GLY 603 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 4.27 -3.71 1.61 8.00 0.17 -5.04 116.55 121.85 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 -0.12 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 -1.82 -0.43 0.13 1.24 5.36 -0.37 -4.92 117.98 117.17 3sqc s PHE 605 Ca 0.00 0.97 0.09 0.00 -0.96 0.00 0.00 56.93 57.03 3sqc s PHE 605 Cb 0.00 0.10 -0.04 0.00 -0.34 0.00 0.00 43.02 42.74 3sqc s PHE 605 CO 0.00 -0.29 -0.21 0.71 -1.46 0.00 0.00 175.22 173.97 3sqc s TYR 606 N 1.56 1.91 0.05 10.12 2.02 -1.26 -0.28 117.35 131.47 3sqc s TYR 606 Ca -0.07 -0.42 0.07 0.00 -0.37 0.00 0.00 57.07 56.27 3sqc s TYR 606 Cb -0.10 -1.01 -0.02 0.00 -0.40 0.00 0.00 41.96 40.43 3sqc s TYR 606 CO -0.10 0.28 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.47 3sqc s LEU 607 N -2.21 2.18 -0.37 -1.29 1.43 -0.08 -4.41 118.68 113.92 3sqc s LEU 607 Ca 0.11 -0.51 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 3sqc s LEU 607 Cb -0.09 -0.85 0.07 0.00 0.03 0.00 0.00 46.19 45.35 3sqc s LEU 607 CO 0.06 0.11 0.16 -0.83 0.23 0.00 0.00 176.35 176.08 3sqc s GLY 608 N -1.21 1.90 -0.83 -3.19 0.00 0.16 -0.69 107.32 103.45 3sqc s GLY 608 Ca 0.06 -2.10 -0.20 0.00 0.00 0.00 0.00 44.72 42.48 3sqc s GLY 608 CO 0.02 0.89 1.05 -0.19 0.00 0.00 0.00 173.10 174.86 3sqc s TYR 609 N 1.30 3.01 0.28 1.90 1.51 -1.26 -0.58 117.35 123.50 3sqc s TYR 609 Ca 0.02 -1.16 0.05 0.00 -1.01 0.00 0.00 57.07 54.97 3sqc s TYR 609 Cb -0.22 -4.26 0.75 0.00 -0.11 0.00 0.00 41.96 38.12 3sqc s TYR 609 CO -0.00 -1.51 1.34 2.41 -1.11 0.00 0.00 175.55 176.68 3sqc n THR 610 N 5.59 -0.36 0.19 -0.71 -1.04 -1.19 -0.91 114.28 115.85 3sqc n THR 610 Ca 0.14 1.85 0.07 0.00 -2.04 0.00 0.00 64.05 64.08 3sqc n THR 610 Cb 0.48 -2.76 0.30 0.00 -1.82 0.00 0.00 70.33 66.52 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 -0.72 -2.82 2.86 -1.90 -3.34 114.93 109.01 3sqc h MET 611 Ca 0.56 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 58.35 3sqc h MET 611 Cb 1.23 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.78 3sqc h MET 611 CO -0.78 0.31 0.15 1.88 1.06 0.00 0.00 176.91 179.53 3sqc h TYR 612 N 0.00 0.22 -0.24 -0.22 -1.99 -1.45 0.14 116.97 113.43 3sqc h TYR 612 Ca -0.00 0.04 0.07 0.00 2.00 0.00 0.00 58.73 60.84 3sqc h TYR 612 Cb 0.97 0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.70 3sqc h TYR 612 CO 0.00 -0.10 0.19 0.07 -0.00 0.00 0.00 178.16 178.32 3sqc h ARG 613 N 0.24 0.00 0.00 4.88 0.11 -1.74 -2.12 114.38 115.76 3sqc h ARG 613 Ca 0.40 0.00 -0.43 0.00 0.10 0.00 0.00 59.98 60.06 3sqc h ARG 613 Cb 0.69 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.70 3sqc h ARG 613 CO -0.52 0.00 -2.34 0.72 0.10 0.00 0.00 179.97 177.93 3sqc n HIS 614 N -4.25 0.18 0.21 4.08 8.25 -0.44 -4.40 115.22 118.86 3sqc n HIS 614 Ca 0.03 0.07 -0.15 0.00 -0.26 0.00 0.00 57.72 57.41 3sqc n HIS 614 Cb 0.34 -1.02 -0.08 0.00 1.12 0.00 0.00 29.99 30.35 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 -0.92 0.67 -0.55 1.59 2.07 -0.98 -2.76 116.25 115.37 3sqc h VAL 615 Ca -0.64 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 3sqc h VAL 615 Cb 1.59 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 3sqc h VAL 615 CO -0.37 0.01 0.23 -0.26 0.02 0.00 0.00 177.57 177.20 3sqc h PHE 616 N -0.47 0.82 -0.76 1.57 0.04 -1.59 -0.48 116.94 116.06 3sqc h PHE 616 Ca -0.05 -0.06 -0.05 0.00 2.80 0.00 0.00 57.97 60.62 3sqc h PHE 616 Cb 0.36 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 3sqc h PHE 616 CO -0.05 0.66 0.29 -1.35 -0.60 0.00 0.00 178.31 177.26 3sqc h PRO 617 N 0.74 1.14 -0.82 1.51 0.11 -1.75 0.16 132.00 133.09 3sqc h PRO 617 Ca 0.18 -0.21 0.02 0.00 0.11 0.00 0.00 66.00 66.10 3sqc h PRO 617 Cb 0.17 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 31.06 3sqc h PRO 617 CO -0.02 0.94 0.53 1.15 -0.21 0.00 0.00 178.00 180.39 3sqc h THR 618 N 1.10 1.15 -0.20 -1.15 2.02 -1.19 0.10 112.91 114.74 3sqc h THR 618 Ca 0.25 -0.36 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 3sqc h THR 618 Cb 0.23 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 3sqc h THR 618 CO -0.02 0.19 -0.09 0.25 0.37 0.00 0.00 175.52 176.22 3sqc h LEU 619 N 1.05 0.42 -0.49 2.58 5.85 -0.56 -2.44 115.31 121.74 3sqc h LEU 619 Ca 0.32 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3sqc h LEU 619 Cb -0.03 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3sqc h LEU 619 CO -0.10 0.73 0.32 0.00 -0.34 0.00 0.00 178.44 179.06 3sqc h ALA 620 N 0.70 0.62 -0.63 1.25 0.00 -0.17 -1.55 119.26 119.49 3sqc h ALA 620 Ca 0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3sqc h ALA 620 Cb 0.57 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3sqc h ALA 620 CO 0.03 0.07 0.04 -0.07 0.00 0.00 0.00 179.25 179.32 3sqc h LEU 621 N 0.66 1.04 -1.25 0.00 3.38 -1.03 -0.69 115.31 117.42 3sqc h LEU 621 Ca 0.18 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3sqc h LEU 621 Cb -0.07 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.36 3sqc h LEU 621 CO -0.04 1.06 0.51 1.23 0.09 0.00 0.00 178.44 181.29 3sqc h GLY 622 N 1.02 1.07 1.63 0.83 0.00 -1.04 -0.44 103.07 106.14 3sqc h GLY 622 Ca 0.18 -0.40 -0.18 0.00 0.00 0.00 0.00 47.33 46.94 3sqc h GLY 622 CO 0.02 0.39 -0.70 3.21 0.00 0.00 0.00 176.54 179.46 3sqc h ARG 623 N 1.04 0.36 -0.06 4.80 3.08 -0.88 -2.93 114.38 119.79 3sqc h ARG 623 Ca 0.28 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3sqc h ARG 623 Cb -0.12 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 3sqc h ARG 623 CO -0.06 0.93 0.02 -0.92 -1.07 0.00 0.00 179.97 178.87 3sqc h TYR 624 N 0.25 0.09 -0.74 3.04 3.20 -0.38 -2.79 116.97 119.64 3sqc h TYR 624 Ca -0.02 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 61.98 3sqc h TYR 624 Cb 1.27 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 39.46 3sqc h TYR 624 CO 0.04 0.22 0.49 -0.22 -1.64 0.00 0.00 178.16 177.05 3sqc h LYS 625 N -0.07 0.44 0.00 1.82 3.64 -1.09 -1.05 116.57 120.26 3sqc h LYS 625 Ca 0.02 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 3sqc h LYS 625 Cb 0.17 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3sqc h LYS 625 CO -0.00 0.29 -0.38 1.96 -2.27 0.00 0.00 179.45 179.04 3sqc h GLN 626 N 0.45 0.00 -2.38 1.90 7.50 -1.31 -3.23 115.11 118.05 3sqc h GLN 626 Ca 0.36 0.00 -0.30 0.00 0.50 0.00 0.00 58.65 59.21 3sqc h GLN 626 Cb 0.76 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.26 3sqc h GLN 626 CO -0.12 0.38 0.80 0.00 -1.50 0.00 0.00 178.83 178.40 3sqc n ALA 627 N -2.41 6.19 -1.87 3.87 0.00 -0.40 -5.13 120.51 120.76 3sqc n ALA 627 Ca -0.01 -2.10 0.00 0.00 0.00 0.00 0.00 53.44 51.33 3sqc n ALA 627 Cb 0.44 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.30 3sqc n ALA 627 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61