#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wsf n VAL 22 N 0.00 0.00 -0.88 1.47 0.24 -1.26 -4.81 118.33 113.09 2wsf n VAL 22 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.95 2wsf n VAL 22 Cb 0.00 0.00 0.09 0.00 -1.47 0.00 0.00 33.84 32.46 2wsf n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2wsf n ASP 23 N 0.00 -3.52 -0.06 -1.34 8.00 -1.26 -5.05 116.55 113.32 2wsf n ASP 23 Ca 0.00 0.10 -0.11 0.00 0.71 0.00 0.00 54.79 55.49 2wsf n ASP 23 Cb 0.00 -0.84 -0.05 0.00 -0.02 0.00 0.00 41.12 40.21 2wsf n ASP 23 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2wsf n ARG 24 N 0.47 0.27 0.00 -1.24 -4.01 -1.26 -5.04 116.66 105.85 2wsf n ARG 24 Ca 0.01 0.09 0.00 0.00 -1.04 0.00 0.00 57.85 56.91 2wsf n ARG 24 Cb 0.62 -1.06 0.00 0.00 -3.04 0.00 0.00 32.46 28.98 2wsf n ARG 24 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 2wsf n ASP 25 N -3.25 -3.93 0.24 2.89 5.75 -1.26 -4.69 116.55 112.30 2wsf n ASP 25 Ca -0.23 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.67 2wsf n ASP 25 Cb 0.69 0.00 0.52 0.00 -1.03 0.00 0.00 41.12 41.30 2wsf n ASP 25 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 2wsf h PRO 26 N 0.00 0.00 -0.03 0.11 0.11 -1.98 -3.44 132.00 126.77 2wsf h PRO 26 Ca 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.94 2wsf h PRO 26 Cb 0.00 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 30.78 2wsf h PRO 26 CO 0.00 0.17 -0.88 1.51 -0.21 0.00 0.00 178.00 178.59 2wsf n ILE 27 N -3.34 0.08 0.00 4.15 3.06 -1.26 -4.53 119.36 117.52 2wsf n ILE 27 Ca 0.00 -0.92 0.00 0.00 -2.50 0.00 0.00 62.75 59.34 2wsf n ILE 27 Cb 0.39 0.92 0.00 0.00 0.54 0.00 0.00 39.64 41.49 2wsf n ILE 27 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 2wsf n LYS 28 N 0.30 0.00 -3.79 9.51 4.76 -1.26 -5.04 118.16 122.64 2wsf n LYS 28 Ca -0.01 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.30 2wsf n LYS 28 Cb 1.03 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 34.10 2wsf n LYS 28 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2wsf s THR 29 N 0.00 -0.01 -0.07 -0.18 -1.32 -1.26 -4.19 115.64 108.61 2wsf s THR 29 Ca 0.00 0.04 0.01 0.00 -1.21 0.00 0.00 61.69 60.53 2wsf s THR 29 Cb 0.00 -0.28 -0.25 0.00 -1.51 0.00 0.00 72.50 70.46 2wsf s THR 29 CO 0.00 0.02 0.55 -1.28 -2.21 0.00 0.00 174.62 171.70 2wsf h SER 30 N 6.22 0.25 -0.07 8.08 0.87 -1.96 -3.47 113.55 123.47 2wsf h SER 30 Ca -0.30 -0.53 -0.51 0.00 -1.23 0.00 0.00 61.79 59.22 2wsf h SER 30 Cb 1.18 -0.08 -0.08 0.00 -0.44 0.00 0.00 62.40 62.98 2wsf h SER 30 CO 0.39 1.48 1.74 0.49 -0.53 0.00 0.00 176.83 180.40 2wsf n PHE 31 N -3.31 0.61 -1.86 2.24 3.72 -1.26 -4.86 117.46 112.74 2wsf n PHE 31 Ca -0.24 0.38 -0.33 0.00 -0.05 0.00 0.00 57.45 57.21 2wsf n PHE 31 Cb 1.05 -2.39 0.03 0.00 -0.94 0.00 0.00 39.48 37.24 2wsf n PHE 31 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2wsf s GLU 32 N 8.88 2.97 -1.21 -1.08 2.56 -1.26 -4.94 118.70 124.62 2wsf s GLU 32 Ca 1.34 1.36 -0.20 0.00 0.00 0.00 0.00 54.97 57.47 2wsf s GLU 32 Cb -1.22 -1.98 0.05 0.00 2.00 0.00 0.00 34.13 32.98 2wsf s GLU 32 CO 0.49 -1.11 1.68 -0.65 -0.56 0.00 0.00 175.26 175.11 2wsf s GLN 33 N -4.03 3.76 -0.45 4.30 -0.21 -1.26 -4.84 119.66 116.92 2wsf s GLN 33 Ca 0.66 -1.68 -0.00 0.00 0.02 0.00 0.00 55.36 54.36 2wsf s GLN 33 Cb -0.20 -5.46 0.12 0.00 1.00 0.00 0.00 33.01 28.47 2wsf s GLN 33 CO 0.39 -2.38 0.22 -1.58 -2.12 0.00 0.00 175.29 169.83 2wsf s TRP 34 N 4.97 3.54 0.00 0.91 0.23 -1.26 -5.01 118.94 122.32 2wsf s TRP 34 Ca 0.53 -2.71 0.00 0.00 -2.03 0.00 0.00 56.10 51.89 2wsf s TRP 34 Cb 0.02 -3.10 0.00 0.00 0.03 0.00 0.00 33.47 30.42 2wsf s TRP 34 CO 0.03 -0.91 0.00 0.00 0.96 0.00 0.00 176.95 177.03 2wsf n ALA 35 N 4.10 0.00 0.00 0.98 0.00 -1.26 -5.18 120.51 119.15 2wsf n ALA 35 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2wsf n ALA 35 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2wsf n ALA 35 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wsf n LYS 36 N 0.12 0.00 -1.48 0.00 4.76 -1.26 -5.08 118.16 115.22 2wsf n LYS 36 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 2wsf n LYS 36 Cb 0.00 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.04 2wsf n LYS 36 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2wsf n PRO 37 N 0.00 0.01 0.00 1.97 -0.02 -1.26 -4.82 135.00 130.88 2wsf n PRO 37 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2wsf n PRO 37 Cb 0.00 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 2wsf n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wsf n GLY 38 N 6.56 0.38 0.02 -1.23 0.00 -1.26 -4.71 105.19 104.95 2wsf n GLY 38 Ca 0.65 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2wsf n GLY 38 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wsf n HIS 39 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -5.07 115.22 110.50 2wsf n HIS 39 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2wsf n HIS 39 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 29.99 29.94 2wsf n HIS 39 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.34 178.31 2wsf n PHE 40 N 2.93 0.00 -1.00 1.57 -1.74 -1.26 -4.96 117.46 112.99 2wsf n PHE 40 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 2wsf n PHE 40 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 2wsf n PHE 40 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2wsf n SER 41 N 0.00 -5.89 0.02 5.98 2.88 -1.26 -4.74 113.62 110.62 2wsf n SER 41 Ca 0.00 0.75 -0.13 0.00 -1.33 0.00 0.00 58.87 58.16 2wsf n SER 41 Cb 0.00 -2.43 -0.14 0.00 -0.75 0.00 0.00 64.21 60.89 2wsf n SER 41 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2wsf h ARG 42 N 1.37 0.12 -2.61 -1.46 2.47 -2.01 -0.64 114.38 111.62 2wsf h ARG 42 Ca 0.00 -0.21 -0.21 0.00 -1.26 0.00 0.00 59.98 58.30 2wsf h ARG 42 Cb 0.00 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 2wsf h ARG 42 CO 0.00 0.87 0.72 2.41 0.56 0.00 0.00 179.97 184.53 2wsf n THR 43 N -3.29 2.21 -0.64 2.04 -1.04 -1.26 -4.93 114.28 107.36 2wsf n THR 43 Ca -0.16 -1.18 -0.31 0.00 -2.04 0.00 0.00 64.05 60.36 2wsf n THR 43 Cb 1.03 -1.94 0.18 0.00 -1.82 0.00 0.00 70.33 67.79 2wsf n THR 43 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2wsf n ILE 44 N 3.05 0.00 0.00 12.58 5.41 -0.25 -4.72 119.36 135.43 2wsf n ILE 44 Ca 0.35 -0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.90 2wsf n ILE 44 Cb 0.48 -0.87 0.00 0.00 -0.71 0.00 0.00 39.64 38.54 2wsf n ILE 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wsf n ALA 45 N -4.35 0.00 0.57 -1.39 0.00 -1.26 -4.58 120.51 109.51 2wsf n ALA 45 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.59 2wsf n ALA 45 Cb 0.54 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.06 2wsf n ALA 45 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2wsf n LYS 46 N 0.00 1.22 0.00 0.00 2.85 -1.26 -4.46 118.16 116.51 2wsf n LYS 46 Ca 0.00 -1.46 0.00 0.00 -1.05 0.00 0.00 58.31 55.80 2wsf n LYS 46 Cb 0.00 -1.30 0.00 0.00 -0.65 0.00 0.00 35.03 33.08 2wsf n LYS 46 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2wsf n GLY 47 N 0.85 2.09 2.53 2.58 0.00 -1.26 -5.02 105.19 106.97 2wsf n GLY 47 Ca 0.09 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 2wsf n GLY 47 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wsf n PRO 48 N 0.00 0.00 -3.27 1.61 -0.02 -1.26 -4.95 135.00 127.11 2wsf n PRO 48 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.15 2wsf n PRO 48 Cb 0.00 -1.08 -0.06 0.00 -0.02 0.00 0.00 33.50 32.34 2wsf n PRO 48 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 2wsf s ASP 49 N -0.01 6.76 0.14 2.55 3.84 -1.26 -4.98 116.67 123.71 2wsf s ASP 49 Ca 0.66 1.14 -0.25 0.00 -0.00 0.00 0.00 52.55 54.09 2wsf s ASP 49 Cb -0.92 -2.31 0.07 0.00 -1.38 0.00 0.00 42.92 38.38 2wsf s ASP 49 CO 0.41 -0.08 0.99 -0.89 -0.00 0.00 0.00 175.17 175.60 2wsf s THR 50 N -1.79 0.00 -0.15 2.11 2.01 -1.26 -3.83 115.64 112.73 2wsf s THR 50 Ca 0.48 -0.62 0.05 0.00 0.31 0.00 0.00 61.69 61.91 2wsf s THR 50 Cb -0.12 -1.98 -0.13 0.00 0.01 0.00 0.00 72.50 70.28 2wsf s THR 50 CO 0.19 0.00 -0.08 1.07 -0.69 0.00 0.00 174.62 175.12 2wsf n THR 51 N -0.47 0.93 -0.31 -0.82 5.66 -1.17 -4.62 114.28 113.48 2wsf n THR 51 Ca -0.06 -0.43 0.15 0.00 -3.05 0.00 0.00 64.05 60.65 2wsf n THR 51 Cb 0.61 -0.93 0.33 0.00 -1.55 0.00 0.00 70.33 68.79 2wsf n THR 51 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 2wsf h THR 52 N 0.00 0.36 0.00 1.09 2.02 -1.91 0.47 112.91 114.94 2wsf h THR 52 Ca -0.36 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2wsf h THR 52 Cb 1.66 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2wsf h THR 52 CO -0.03 0.05 0.00 0.79 0.37 0.00 0.00 175.52 176.70 2wsf n TRP 53 N -5.13 0.00 0.64 3.16 8.01 -1.26 -1.31 117.44 121.55 2wsf n TRP 53 Ca 0.24 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.54 2wsf n TRP 53 Cb 0.73 -0.05 0.01 0.00 -2.01 0.00 0.00 31.31 29.99 2wsf n TRP 53 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.69 175.79 2wsf n ILE 54 N -1.05 0.12 -0.08 -0.99 5.41 0.16 -3.88 119.36 119.06 2wsf n ILE 54 Ca 0.05 -0.20 -0.16 0.00 1.00 0.00 0.00 62.75 63.45 2wsf n ILE 54 Cb 0.03 0.33 -0.14 0.00 -0.71 0.00 0.00 39.64 39.15 2wsf n ILE 54 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 2wsf n TRP 55 N -1.86 0.44 -0.88 1.39 8.01 -0.43 -4.46 117.44 119.64 2wsf n TRP 55 Ca 0.02 0.11 -0.34 0.00 -1.31 0.00 0.00 57.50 55.99 2wsf n TRP 55 Cb 0.42 -1.07 0.11 0.00 -2.01 0.00 0.00 31.31 28.76 2wsf n TRP 55 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 2wsf n ASN 56 N -3.16 -2.08 0.00 -0.99 3.02 -0.64 -1.08 115.26 110.33 2wsf n ASN 56 Ca -0.35 0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 2wsf n ASN 56 Cb 1.05 -1.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 2wsf n ASN 56 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2wsf n LEU 57 N -0.96 0.00 -0.07 3.41 0.00 -1.25 -4.53 117.00 113.60 2wsf n LEU 57 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 56.01 56.03 2wsf n LEU 57 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.92 2wsf n LEU 57 CO 0.51 0.00 -0.18 0.45 0.00 0.00 0.00 177.39 178.17 2wsf h HIS 58 N 0.00 0.00 -4.23 1.96 3.86 -1.77 -3.35 115.15 111.61 2wsf h HIS 58 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 2wsf h HIS 58 Cb 0.00 0.00 0.19 0.00 1.06 0.00 0.00 27.41 28.66 2wsf h HIS 58 CO 0.00 0.19 0.29 0.00 0.86 0.00 0.00 177.93 179.27 2wsf s ALA 59 N -2.60 1.67 0.00 2.45 0.00 -0.24 -2.76 121.76 120.27 2wsf s ALA 59 Ca -0.10 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2wsf s ALA 59 Cb 0.01 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2wsf s ALA 59 CO 0.20 -2.51 0.00 -0.40 0.00 0.00 0.00 175.76 173.04 2wsf n ASP 60 N -3.72 -1.55 -0.26 0.00 5.75 -1.26 -4.71 116.55 110.80 2wsf n ASP 60 Ca 0.13 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.97 2wsf n ASP 60 Cb 0.51 -1.30 0.20 0.00 -1.03 0.00 0.00 41.12 39.51 2wsf n ASP 60 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wsf h ALA 61 N 0.00 1.09 -2.81 2.12 0.00 -1.66 -3.30 119.26 114.70 2wsf h ALA 61 Ca 0.00 0.14 -0.62 0.00 0.00 0.00 0.00 54.91 54.43 2wsf h ALA 61 Cb 0.26 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 2wsf h ALA 61 CO 0.00 -0.26 -0.32 -1.01 0.00 0.00 0.00 179.25 177.67 2wsf s HIS 62 N -6.00 3.60 0.09 0.00 3.76 -1.26 -4.95 115.29 110.53 2wsf s HIS 62 Ca -0.12 0.74 0.00 0.00 -0.15 0.00 0.00 55.06 55.52 2wsf s HIS 62 Cb 0.21 -2.22 0.00 0.00 1.11 0.00 0.00 32.58 31.69 2wsf s HIS 62 CO 0.76 0.53 0.00 -3.47 -0.85 0.00 0.00 174.74 171.71 2wsf n ASP 63 N 2.47 -0.80 -1.65 1.40 2.03 -1.25 -5.09 116.55 113.68 2wsf n ASP 63 Ca -0.15 0.23 -0.00 0.00 0.52 0.00 0.00 54.79 55.39 2wsf n ASP 63 Cb 0.53 1.01 0.00 0.00 -0.72 0.00 0.00 41.12 41.94 2wsf n ASP 63 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2wsf n PHE 64 N -2.46 -0.33 -0.71 -0.67 3.72 -1.26 -4.95 117.46 110.80 2wsf n PHE 64 Ca 0.00 0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 2wsf n PHE 64 Cb 0.00 -1.76 0.00 0.00 -0.94 0.00 0.00 39.48 36.78 2wsf n PHE 64 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2wsf n ASP 65 N -0.71 0.00 -3.71 4.37 4.64 -1.26 -5.01 116.55 114.87 2wsf n ASP 65 Ca 0.01 -0.48 -0.13 0.00 -1.38 0.00 0.00 54.79 52.81 2wsf n ASP 65 Cb 0.22 0.00 -0.09 0.00 -1.04 0.00 0.00 41.12 40.21 2wsf n ASP 65 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 2wsf s SER 66 N 0.00 -0.49 0.00 1.67 0.01 -1.26 -4.80 113.70 108.83 2wsf s SER 66 Ca 0.00 0.94 0.00 0.00 1.31 0.00 0.00 55.95 58.20 2wsf s SER 66 Cb 0.00 0.95 0.00 0.00 0.21 0.00 0.00 66.02 67.18 2wsf s SER 66 CO 0.00 -0.18 0.00 1.41 0.41 0.00 0.00 173.24 174.88 2wsf n HIS 67 N 2.75 0.00 -3.59 2.43 8.25 -1.26 -4.89 115.22 118.91 2wsf n HIS 67 Ca -0.14 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.23 2wsf n HIS 67 Cb 0.57 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.63 2wsf n HIS 67 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2wsf s THR 68 N 0.00 0.00 -1.44 1.59 -1.32 -1.26 -5.01 115.64 108.19 2wsf s THR 68 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2wsf s THR 68 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2wsf s THR 68 CO 0.00 0.00 0.10 -0.24 -2.21 0.00 0.00 174.62 172.27 2wsf n SER 69 N 0.78 0.08 -3.62 8.08 2.88 -1.26 -4.45 113.62 116.11 2wsf n SER 69 Ca -0.09 -0.29 -0.28 0.00 -1.33 0.00 0.00 58.87 56.89 2wsf n SER 69 Cb 0.58 -0.04 -0.16 0.00 -0.75 0.00 0.00 64.21 63.84 2wsf n SER 69 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2wsf s ASP 70 N -1.30 3.09 0.00 -3.46 1.11 -1.26 -5.09 116.67 109.76 2wsf s ASP 70 Ca 0.00 -1.02 0.00 0.00 0.18 0.00 0.00 52.55 51.71 2wsf s ASP 70 Cb 0.00 -0.42 0.00 0.00 1.07 0.00 0.00 42.92 43.57 2wsf s ASP 70 CO 0.00 -0.38 0.00 0.00 1.18 0.00 0.00 175.17 175.97 2wsf n LEU 71 N 5.18 0.00 0.00 1.23 -0.00 -1.26 -4.20 117.00 117.94 2wsf n LEU 71 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.95 2wsf n LEU 71 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 2wsf n LEU 71 CO 0.08 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.85 2wsf n GLU 72 N 0.00 0.00 0.00 1.47 -0.58 -1.26 -1.91 120.64 118.36 2wsf n GLU 72 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wsf n GLU 72 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2wsf n GLU 72 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2wsf n GLU 73 N 0.00 0.00 -0.07 3.49 0.28 -1.26 -3.17 120.64 119.92 2wsf n GLU 73 Ca 0.00 0.75 -0.01 0.00 -0.16 0.00 0.00 57.16 57.74 2wsf n GLU 73 Cb 0.00 -1.31 -0.01 0.00 1.43 0.00 0.00 31.44 31.55 2wsf n GLU 73 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 2wsf n ILE 74 N -2.15 -0.10 0.02 3.84 -5.35 -0.80 0.78 119.36 115.60 2wsf n ILE 74 Ca 0.00 0.38 0.08 0.00 -0.27 0.00 0.00 62.75 62.94 2wsf n ILE 74 Cb 0.00 -0.48 0.49 0.00 -1.74 0.00 0.00 39.64 37.92 2wsf n ILE 74 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2wsf h SER 75 N 0.00 0.34 0.94 7.28 4.64 -1.78 0.21 113.55 125.18 2wsf h SER 75 Ca 0.03 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2wsf h SER 75 Cb 0.07 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2wsf h SER 75 CO -0.15 0.24 0.00 0.03 -0.87 0.00 0.00 176.83 176.07 2wsf h ARG 76 N 0.40 0.00 0.03 4.77 3.08 2.96 -2.58 114.38 123.03 2wsf h ARG 76 Ca 0.17 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.96 2wsf h ARG 76 Cb 0.17 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 2wsf h ARG 76 CO -0.04 0.00 -1.39 -0.22 -1.07 0.00 0.00 179.97 177.25 2wsf h LYS 77 N 0.00 0.07 0.00 0.04 3.64 0.50 -3.36 116.57 117.45 2wsf h LYS 77 Ca 0.00 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 2wsf h LYS 77 Cb 0.47 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2wsf h LYS 77 CO 0.00 1.05 -0.24 -0.39 -2.27 0.00 0.00 179.45 177.60 2wsf h VAL 78 N -0.75 0.78 0.00 2.00 -1.51 -0.70 0.35 116.25 116.42 2wsf h VAL 78 Ca -0.36 -0.98 0.00 0.00 -1.23 0.00 0.00 66.70 64.13 2wsf h VAL 78 Cb 1.47 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 32.23 2wsf h VAL 78 CO -0.13 0.24 0.00 0.33 -1.23 0.00 0.00 177.57 176.77 2wsf n PHE 79 N -3.69 0.00 -0.04 5.19 7.35 -0.98 -1.84 117.46 123.46 2wsf n PHE 79 Ca -0.01 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.60 2wsf n PHE 79 Cb 0.36 -0.26 -0.03 0.00 0.35 0.00 0.00 39.48 39.90 2wsf n PHE 79 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2wsf n SER 80 N -1.26 1.35 0.24 -2.13 7.64 0.17 -4.20 113.62 115.42 2wsf n SER 80 Ca 0.13 0.21 0.16 0.00 1.01 0.00 0.00 58.87 60.38 2wsf n SER 80 Cb 0.20 -0.50 0.69 0.00 -1.01 0.00 0.00 64.21 63.59 2wsf n SER 80 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wsf h ALA 81 N -0.50 1.00 -3.00 -0.43 0.00 -0.58 -0.73 119.26 115.02 2wsf h ALA 81 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wsf h ALA 81 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2wsf h ALA 81 CO -0.07 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.90 2wsf n HIS 82 N -2.79 0.00 0.00 0.00 -0.00 -0.77 -4.14 115.22 107.52 2wsf n HIS 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2wsf n HIS 82 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.23 2wsf n HIS 82 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 2wsf n PHE 83 N -0.20 0.00 0.84 4.41 3.72 -0.29 0.16 117.46 126.10 2wsf n PHE 83 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2wsf n PHE 83 Cb 0.00 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.28 2wsf n PHE 83 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wsf n GLY 84 N -0.52 -0.42 0.09 1.37 0.00 -1.17 -1.92 105.19 102.63 2wsf n GLY 84 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2wsf n GLY 84 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2wsf n GLN 85 N -0.50 0.51 -0.03 1.61 -0.06 0.12 -4.27 117.38 114.76 2wsf n GLN 85 Ca 0.00 0.37 -0.05 0.00 -2.00 0.00 0.00 57.00 55.32 2wsf n GLN 85 Cb 0.00 -1.57 -0.04 0.00 -4.06 0.00 0.00 30.24 24.58 2wsf n GLN 85 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 2wsf h LEU 86 N -1.00 -0.66 -8.91 1.69 -0.00 -1.62 0.53 115.31 105.35 2wsf h LEU 86 Ca -0.11 0.08 -0.57 0.00 -0.00 0.00 0.00 57.88 57.28 2wsf h LEU 86 Cb 0.90 0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 41.82 2wsf h LEU 86 CO -0.06 -0.16 1.45 -0.55 -0.00 0.00 0.00 178.44 179.11 2wsf s SER 87 N -3.50 5.48 0.00 -0.43 0.15 -0.81 0.36 113.70 114.95 2wsf s SER 87 Ca -0.05 1.63 0.00 0.00 0.70 0.00 0.00 55.95 58.23 2wsf s SER 87 Cb 0.03 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2wsf s SER 87 CO 0.22 -1.98 0.00 0.00 1.20 0.00 0.00 173.24 172.68 2wsf n ILE 88 N 7.68 0.00 0.08 6.45 0.13 -1.01 -4.30 119.36 128.39 2wsf n ILE 88 Ca 0.28 0.00 0.21 0.00 -1.10 0.00 0.00 62.75 62.14 2wsf n ILE 88 Cb 0.46 0.00 0.74 0.00 -0.84 0.00 0.00 39.64 40.00 2wsf n ILE 88 CO 0.00 0.00 0.00 0.40 2.80 0.00 0.00 176.55 179.75 2wsf h ILE 89 N 0.00 0.38 0.10 9.51 2.04 0.89 1.58 117.51 132.02 2wsf h ILE 89 Ca 0.00 0.00 -0.30 0.00 1.00 0.00 0.00 64.86 65.56 2wsf h ILE 89 Cb 0.00 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2wsf h ILE 89 CO 0.00 0.00 -1.49 -0.26 0.00 0.00 0.00 178.15 176.40 2wsf h PHE 90 N 0.00 0.39 -0.04 1.37 0.04 -0.28 -3.29 116.94 115.13 2wsf h PHE 90 Ca 0.21 -0.29 -0.23 0.00 2.80 0.00 0.00 57.97 60.46 2wsf h PHE 90 Cb 1.13 -0.02 0.02 0.00 2.20 0.00 0.00 35.95 39.28 2wsf h PHE 90 CO 0.00 1.33 -0.88 1.25 -0.60 0.00 0.00 178.31 179.41 2wsf h LEU 91 N 0.06 0.84-10.23 1.54 5.85 -1.07 -3.33 115.31 108.97 2wsf h LEU 91 Ca -0.22 -0.71 -0.49 0.00 0.84 0.00 0.00 57.88 57.30 2wsf h LEU 91 Cb 1.99 -0.25 0.20 0.00 0.37 0.00 0.00 40.66 42.97 2wsf h LEU 91 CO 0.16 1.43 0.15 0.86 -0.34 0.00 0.00 178.44 180.70 2wsf s TRP 92 N -3.42 1.60 0.00 1.25 -0.00 0.52 -3.14 118.94 115.75 2wsf s TRP 92 Ca -0.11 1.53 0.00 0.00 -0.00 0.00 0.00 56.10 57.52 2wsf s TRP 92 Cb 0.07 -3.23 0.00 0.00 -0.00 0.00 0.00 33.47 30.31 2wsf s TRP 92 CO 0.90 -3.14 0.00 1.28 -0.00 0.00 0.00 176.95 175.98 2wsf n LEU 93 N -4.44 0.00 0.26 5.86 4.77 -1.24 -4.58 117.00 117.63 2wsf n LEU 93 Ca 0.08 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 2wsf n LEU 93 Cb 0.53 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 2wsf n LEU 93 CO 0.53 0.00 0.38 -1.28 -1.33 0.00 0.00 177.39 175.69 2wsf h SER 94 N 0.00 -0.60 -0.21 -1.43 0.87 -1.66 0.38 113.55 110.90 2wsf h SER 94 Ca 0.00 -0.04 -0.58 0.00 -1.23 0.00 0.00 61.79 59.94 2wsf h SER 94 Cb 0.00 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2wsf h SER 94 CO 0.00 -0.21 2.11 0.61 -0.53 0.00 0.00 176.83 178.81 2wsf n GLY 95 N -0.28 2.47 0.00 5.77 0.00 -1.19 0.50 105.19 112.46 2wsf n GLY 95 Ca -0.10 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2wsf n GLY 95 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2wsf n MET 96 N 7.34 0.00 0.23 1.61 0.00 -1.19 -4.91 117.12 120.20 2wsf n MET 96 Ca 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 58.09 2wsf n MET 96 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.60 2wsf n MET 96 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 175.97 177.85 2wsf h TYR 97 N 0.00 -0.58 -2.74 1.12 0.05 0.72 0.64 116.97 116.19 2wsf h TYR 97 Ca 0.00 -0.01 -0.53 0.00 0.05 0.00 0.00 58.73 58.23 2wsf h TYR 97 Cb 0.00 0.19 0.02 0.00 1.01 0.00 0.00 36.73 37.95 2wsf h TYR 97 CO 0.00 -0.36 0.95 0.12 -1.05 0.00 0.00 178.16 177.82 2wsf s PHE 98 N -3.75 2.60 0.00 4.88 2.19 0.18 -1.38 117.98 122.71 2wsf s PHE 98 Ca -0.09 0.44 0.00 0.00 0.33 0.00 0.00 56.93 57.61 2wsf s PHE 98 Cb 0.01 -3.92 0.00 0.00 -1.31 0.00 0.00 43.02 37.80 2wsf s PHE 98 CO 0.27 -3.60 0.00 0.72 1.83 0.00 0.00 175.22 174.44 2wsf n HIS 99 N 5.23 0.00 1.04 10.12 8.25 -1.26 -3.93 115.22 134.68 2wsf n HIS 99 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 2wsf n HIS 99 Cb 0.40 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.51 2wsf n HIS 99 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wsf n GLY 100 N 0.00 -0.39 0.00 -1.41 0.00 0.22 -3.62 105.19 100.00 2wsf n GLY 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wsf n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsf n ALA 101 N -0.41 1.33 0.16 4.61 0.00 -0.48 -4.68 120.51 121.04 2wsf n ALA 101 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2wsf n ALA 101 Cb 0.02 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.67 2wsf n ALA 101 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wsf h ARG 102 N 0.00 0.00 -4.13 0.00 9.65 -1.82 -3.01 114.38 115.08 2wsf h ARG 102 Ca 0.00 0.00 -0.74 0.00 -1.10 0.00 0.00 59.98 58.14 2wsf h ARG 102 Cb 0.00 0.00 -0.15 0.00 -1.39 0.00 0.00 29.97 28.43 2wsf h ARG 102 CO 0.00 0.50 1.82 1.19 2.80 0.00 0.00 179.97 186.28 2wsf n PHE 103 N -3.51 3.86 0.00 2.20 0.99 -1.24 -4.92 117.46 114.85 2wsf n PHE 103 Ca 0.00 -3.03 0.00 0.00 -0.00 0.00 0.00 57.45 54.42 2wsf n PHE 103 Cb 0.61 -2.10 0.00 0.00 -1.00 0.00 0.00 39.48 36.99 2wsf n PHE 103 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2wsf n SER 104 N 4.87 0.00 0.00 4.37 2.88 -1.14 -4.46 113.62 120.15 2wsf n SER 104 Ca 0.40 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 2wsf n SER 104 Cb 0.39 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 2wsf n SER 104 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2wsf n ASN 105 N 0.00 0.00 -0.03 -3.46 4.05 -1.26 -4.59 115.26 109.97 2wsf n ASN 105 Ca 0.00 0.00 -0.15 0.00 0.45 0.00 0.00 54.58 54.88 2wsf n ASN 105 Cb 0.00 -0.43 -0.10 0.00 1.23 0.00 0.00 39.78 40.47 2wsf n ASN 105 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 177.26 174.43 2wsf h TYR 106 N 0.00 0.35 0.25 1.20 5.03 -1.83 0.12 116.97 122.09 2wsf h TYR 106 Ca 0.00 -0.16 0.01 0.00 2.58 0.00 0.00 58.73 61.15 2wsf h TYR 106 Cb 0.00 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.20 2wsf h TYR 106 CO 0.00 0.91 -0.38 1.49 -1.32 0.00 0.00 178.16 178.87 2wsf h GLU 107 N -0.32 -0.67 -0.99 1.82 4.57 -1.91 -2.52 114.58 114.56 2wsf h GLU 107 Ca -0.02 0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.25 2wsf h GLU 107 Cb 0.96 0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 29.65 2wsf h GLU 107 CO 0.06 -0.45 0.64 0.00 -1.18 0.00 0.00 179.01 178.08 2wsf h ALA 108 N -0.22 1.33 0.00 2.92 0.00 -1.93 -2.80 119.26 118.56 2wsf h ALA 108 Ca -0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2wsf h ALA 108 Cb 0.67 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2wsf h ALA 108 CO -0.14 0.50 -0.30 2.35 0.00 0.00 0.00 179.25 181.66 2wsf h TRP 109 N 1.22 0.00 0.19 0.00 7.01 -0.55 -3.19 115.95 120.62 2wsf h TRP 109 Ca 0.40 0.00 -0.35 0.00 2.11 0.00 0.00 58.89 61.05 2wsf h TRP 109 Cb 0.05 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.12 2wsf h TRP 109 CO -0.00 0.30 -1.74 1.37 -2.79 0.00 0.00 178.44 175.58 2wsf h LEU 110 N 0.00 0.61 -1.68 0.65 8.10 -1.17 0.21 115.31 122.04 2wsf h LEU 110 Ca -0.00 -0.91 -0.04 0.00 0.11 0.00 0.00 57.88 57.04 2wsf h LEU 110 Cb 0.70 -0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 40.72 2wsf h LEU 110 CO 0.04 1.77 -0.17 -1.13 -4.11 0.00 0.00 178.44 174.84 2wsf h ASN 111 N 0.11 0.00 -1.25 0.17 -0.00 -1.71 -3.33 115.58 109.57 2wsf h ASN 111 Ca -0.34 0.00 -0.54 0.00 -0.00 0.00 0.00 56.30 55.42 2wsf h ASN 111 Cb 2.10 0.00 -0.42 0.00 -0.00 0.00 0.00 38.32 40.00 2wsf h ASN 111 CO 0.18 0.17 -0.82 0.47 -0.00 0.00 0.00 177.43 177.43 2wsf n ASP 112 N -4.30 4.24 -3.09 1.15 8.00 -1.05 -5.05 116.55 116.46 2wsf n ASP 112 Ca -0.02 -3.54 -0.17 0.00 0.71 0.00 0.00 54.79 51.77 2wsf n ASP 112 Cb 0.23 -0.44 0.12 0.00 -0.02 0.00 0.00 41.12 41.01 2wsf n ASP 112 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2wsf n PRO 113 N -0.48 -1.20 0.00 -0.24 -0.05 0.72 -2.76 135.00 130.99 2wsf n PRO 113 Ca 0.35 -1.11 0.00 0.00 -0.05 0.00 0.00 63.50 62.69 2wsf n PRO 113 Cb 0.75 -0.82 0.00 0.00 -0.05 0.00 0.00 33.50 33.38 2wsf n PRO 113 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 175.50 173.08 2wsf n THR 114 N -3.29 0.00 -0.11 0.52 5.66 -1.26 -4.56 114.28 111.24 2wsf n THR 114 Ca 0.09 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.92 2wsf n THR 114 Cb 0.33 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.02 2wsf n THR 114 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2wsf n HIS 115 N -0.90 0.00 0.00 1.09 8.25 -1.19 -4.97 115.22 117.50 2wsf n HIS 115 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wsf n HIS 115 Cb 0.00 -0.80 0.00 0.00 1.12 0.00 0.00 29.99 30.31 2wsf n HIS 115 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2wsf n ILE 116 N -3.33 0.00 0.00 1.59 2.08 -1.11 -4.98 119.36 113.61 2wsf n ILE 116 Ca -0.39 0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.18 2wsf n ILE 116 Cb 0.87 -0.58 0.00 0.00 -0.75 0.00 0.00 39.64 39.18 2wsf n ILE 116 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2wsf n GLY 117 N 1.73 0.76 3.72 7.39 0.00 -1.21 -4.26 105.19 113.32 2wsf n GLY 117 Ca 0.00 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 2wsf n GLY 117 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wsf s PRO 118 N -1.31 1.85 0.11 1.61 0.02 -1.26 -4.51 135.00 131.51 2wsf s PRO 118 Ca 0.00 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.52 2wsf s PRO 118 Cb 0.00 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.65 2wsf s PRO 118 CO 0.00 -2.00 -0.01 0.45 -0.33 0.00 0.00 177.00 175.11 2wsf s SER 119 N -2.66 0.73 0.00 2.53 0.15 -1.26 -3.23 113.70 109.95 2wsf s SER 119 Ca 0.67 -1.09 0.00 0.00 0.70 0.00 0.00 55.95 56.23 2wsf s SER 119 Cb -0.23 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 2wsf s SER 119 CO 0.52 -0.60 0.00 0.00 1.20 0.00 0.00 173.24 174.36 2wsf n ALA 120 N -0.05 1.37 -2.73 5.45 0.00 -1.26 -4.51 120.51 118.78 2wsf n ALA 120 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.03 2wsf n ALA 120 Cb 0.62 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.03 2wsf n ALA 120 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2wsf s GLN 121 N -1.00 3.58 -0.02 0.00 0.74 -1.25 -4.75 119.66 116.95 2wsf s GLN 121 Ca 0.00 -0.16 -0.20 0.00 0.05 0.00 0.00 55.36 55.05 2wsf s GLN 121 Cb 0.00 -2.91 0.04 0.00 1.10 0.00 0.00 33.01 31.24 2wsf s GLN 121 CO 0.00 0.51 0.42 0.08 -0.55 0.00 0.00 175.29 175.75 2wsf s VAL 122 N -1.59 0.04 0.00 1.34 1.01 -1.26 -1.73 120.40 118.20 2wsf s VAL 122 Ca 0.39 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2wsf s VAL 122 Cb -0.12 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.52 2wsf s VAL 122 CO 0.25 -0.18 0.28 1.33 0.00 0.00 0.00 175.10 176.77 2wsf n VAL 123 N 1.16 0.00 0.00 2.92 0.24 -1.26 -5.02 118.33 116.37 2wsf n VAL 123 Ca -0.21 0.74 0.00 0.00 -2.04 0.00 0.00 64.34 62.83 2wsf n VAL 123 Cb 0.56 -1.65 0.00 0.00 -1.47 0.00 0.00 33.84 31.29 2wsf n VAL 123 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 2wsf n TRP 124 N -1.81 0.00 -1.93 6.34 5.03 -1.26 -4.98 117.44 118.84 2wsf n TRP 124 Ca 0.00 0.00 -0.36 0.00 3.03 0.00 0.00 57.50 60.17 2wsf n TRP 124 Cb 0.00 0.00 -0.01 0.00 -1.03 0.00 0.00 31.31 30.27 2wsf n TRP 124 CO 0.00 0.00 0.00 -0.35 -0.03 0.00 0.00 177.69 177.31 2wsf n PRO 125 N 2.87 3.89 -3.16 -0.99 -0.04 -1.26 -4.71 135.00 131.60 2wsf n PRO 125 Ca 0.00 -3.31 -0.36 0.00 -0.04 0.00 0.00 63.50 59.78 2wsf n PRO 125 Cb 0.00 -2.42 -0.06 0.00 -0.04 0.00 0.00 33.50 30.98 2wsf n PRO 125 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2wsf s ILE 126 N -2.36 4.62 0.00 0.52 -5.25 -1.26 -4.85 121.20 112.63 2wsf s ILE 126 Ca 0.53 1.22 0.00 0.00 -0.99 0.00 0.00 60.65 61.41 2wsf s ILE 126 Cb 0.27 -3.86 0.00 0.00 2.95 0.00 0.00 42.46 41.82 2wsf s ILE 126 CO -0.17 0.26 0.00 1.33 -1.79 0.00 0.00 174.94 174.57 2wsf n VAL 127 N 0.88 0.00 -0.17 8.37 0.24 -1.26 -1.95 118.33 124.44 2wsf n VAL 127 Ca -0.04 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.30 2wsf n VAL 127 Cb 0.51 0.00 0.32 0.00 -1.47 0.00 0.00 33.84 33.20 2wsf n VAL 127 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2wsf h GLY 128 N 0.00 0.94 -4.65 7.63 0.00 -1.99 -3.46 103.07 101.54 2wsf h GLY 128 Ca 0.00 -0.32 -0.64 0.00 0.00 0.00 0.00 47.33 46.36 2wsf h GLY 128 CO 0.00 0.28 -0.60 -1.06 0.00 0.00 0.00 176.54 175.16 2wsf n GLN 129 N -4.46 0.15 0.00 4.80 6.02 -0.82 -4.21 117.38 118.87 2wsf n GLN 129 Ca 0.08 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 2wsf n GLN 129 Cb 0.12 -1.11 0.00 0.00 1.02 0.00 0.00 30.24 30.27 2wsf n GLN 129 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2wsf n GLU 130 N 1.04 0.00 -0.35 -1.09 0.00 -1.26 -4.37 120.64 114.61 2wsf n GLU 130 Ca 0.15 0.00 0.27 0.00 0.00 0.00 0.00 57.16 57.58 2wsf n GLU 130 Cb 0.32 0.00 0.56 0.00 0.00 0.00 0.00 31.44 32.32 2wsf n GLU 130 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.13 178.10 2wsf h ILE 131 N 0.00 0.41 0.00 6.31 6.09 -1.87 0.40 117.51 128.85 2wsf h ILE 131 Ca 0.00 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.39 2wsf h ILE 131 Cb 0.00 0.10 0.00 0.00 0.47 0.00 0.00 36.82 37.39 2wsf h ILE 131 CO 0.00 0.05 0.00 0.18 -3.07 0.00 0.00 178.15 175.31 2wsf n LEU 132 N -4.61 0.00 -3.66 2.19 7.99 -1.26 -2.47 117.00 115.18 2wsf n LEU 132 Ca 0.28 0.00 -0.27 0.00 -0.01 0.00 0.00 56.01 56.01 2wsf n LEU 132 Cb 1.04 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 44.25 2wsf n LEU 132 CO 0.25 0.00 -0.04 0.59 -1.51 0.00 0.00 177.39 176.69 2wsf n ASN 133 N -0.96 2.80 -4.09 -1.43 5.03 0.14 -3.79 115.26 112.96 2wsf n ASN 133 Ca 0.10 -3.19 -0.32 0.00 0.87 0.00 0.00 54.58 52.05 2wsf n ASN 133 Cb 0.05 -0.70 -0.16 0.00 -1.02 0.00 0.00 39.78 37.94 2wsf n ASN 133 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2wsf s GLY 134 N -1.66 1.36 -0.14 7.41 0.00 0.11 -3.28 107.32 111.13 2wsf s GLY 134 Ca 0.31 -1.22 -0.13 0.00 0.00 0.00 0.00 44.72 43.69 2wsf s GLY 134 CO -0.12 0.40 0.51 1.22 0.00 0.00 0.00 173.10 175.11 2wsf n ASP 135 N 4.63 0.27 -0.00 1.64 10.43 -1.26 -4.56 116.55 127.71 2wsf n ASP 135 Ca -0.19 0.26 0.05 0.00 2.57 0.00 0.00 54.79 57.48 2wsf n ASP 135 Cb 0.49 -0.24 -0.07 0.00 1.84 0.00 0.00 41.12 43.13 2wsf n ASP 135 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 2wsf n VAL 136 N 1.41 0.00 0.00 2.53 0.24 -0.87 -5.00 118.33 116.64 2wsf n VAL 136 Ca 0.12 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 2wsf n VAL 136 Cb -0.01 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 2wsf n VAL 136 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wsf n GLY 137 N 1.63 -1.48 2.06 7.63 0.00 -1.26 -3.30 105.19 110.47 2wsf n GLY 137 Ca -0.00 0.58 -0.02 0.00 0.00 0.00 0.00 46.02 46.58 2wsf n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wsf n GLY 138 N 0.00 1.39 2.09 -0.02 0.00 -1.26 -4.55 105.19 102.84 2wsf n GLY 138 Ca 0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 2wsf n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wsf n GLY 139 N 2.29 0.09 3.46 -0.02 0.00 -1.26 -4.96 105.19 104.79 2wsf n GLY 139 Ca 0.07 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 2wsf n GLY 139 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wsf s PHE 140 N -3.15 -0.54 -0.06 1.61 -0.12 -1.26 -5.06 117.98 109.39 2wsf s PHE 140 Ca 0.08 0.50 -0.30 0.00 -0.05 0.00 0.00 56.93 57.17 2wsf s PHE 140 Cb -0.01 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 42.87 2wsf s PHE 140 CO 0.30 -0.74 1.11 -0.98 -0.05 0.00 0.00 175.22 174.86 2wsf s ARG 141 N -3.02 4.40 -0.03 1.99 1.70 -1.26 -2.05 118.95 120.68 2wsf s ARG 141 Ca -0.01 1.56 -0.29 0.00 -0.47 0.00 0.00 55.73 56.51 2wsf s ARG 141 Cb -0.01 -3.53 0.10 0.00 -0.57 0.00 0.00 34.95 30.95 2wsf s ARG 141 CO -0.07 -0.36 1.31 0.20 -1.08 0.00 0.00 175.30 175.30 2wsf s GLY 142 N 1.27 -0.21 -0.12 3.88 0.00 -1.20 -4.81 107.32 106.12 2wsf s GLY 142 Ca 0.53 0.23 -0.03 0.00 0.00 0.00 0.00 44.72 45.45 2wsf s GLY 142 CO 0.21 4.38 -0.03 -1.50 0.00 0.00 0.00 173.10 176.16 2wsf s ILE 143 N -2.09 3.99 0.00 0.90 1.10 -0.71 0.06 121.20 124.45 2wsf s ILE 143 Ca 0.26 -0.34 0.00 0.00 -0.51 0.00 0.00 60.65 60.06 2wsf s ILE 143 Cb 0.01 -2.71 0.00 0.00 0.15 0.00 0.00 42.46 39.91 2wsf s ILE 143 CO -0.02 0.54 0.00 1.67 -2.11 0.00 0.00 174.94 175.02 2wsf n GLN 144 N 2.96 -1.00 -3.76 3.50 -0.06 -1.26 -3.97 117.38 113.79 2wsf n GLN 144 Ca -0.18 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.70 2wsf n GLN 144 Cb 0.53 0.00 -0.11 0.00 -4.06 0.00 0.00 30.24 26.60 2wsf n GLN 144 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2wsf s ILE 145 N -0.76 -0.00 -0.37 1.69 -1.09 -1.20 -4.70 121.20 114.76 2wsf s ILE 145 Ca 0.00 0.01 0.13 0.00 -2.23 0.00 0.00 60.65 58.57 2wsf s ILE 145 Cb 0.00 -0.45 0.40 0.00 -1.58 0.00 0.00 42.46 40.83 2wsf s ILE 145 CO 0.00 0.01 0.87 0.35 -1.23 0.00 0.00 174.94 174.94 2wsf n THR 146 N 3.06 0.79 -3.34 2.92 -2.24 -1.26 -4.74 114.28 109.47 2wsf n THR 146 Ca -0.14 -4.07 -0.14 0.00 -2.27 0.00 0.00 64.05 57.44 2wsf n THR 146 Cb 0.57 -0.05 -0.07 0.00 -2.10 0.00 0.00 70.33 68.68 2wsf n THR 146 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2wsf s SER 147 N -2.89 0.79 0.00 3.42 0.15 -1.26 -4.54 113.70 109.36 2wsf s SER 147 Ca 0.36 -1.19 -0.02 0.00 0.70 0.00 0.00 55.95 55.80 2wsf s SER 147 Cb 0.39 0.80 -0.07 0.00 -1.71 0.00 0.00 66.02 65.43 2wsf s SER 147 CO -0.04 -0.28 1.35 0.61 1.20 0.00 0.00 173.24 176.08 2wsf n GLY 148 N 4.58 1.55 0.00 9.45 0.00 -1.26 -4.75 105.19 114.76 2wsf n GLY 148 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2wsf n GLY 148 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wsf n PHE 149 N 2.78 -1.58 -0.69 1.61 3.01 -1.26 -2.52 117.46 118.82 2wsf n PHE 149 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.58 2wsf n PHE 149 Cb 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.73 2wsf n PHE 149 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2wsf n PHE 150 N -1.48 0.00 0.00 1.38 3.01 -1.26 -4.26 117.46 114.85 2wsf n PHE 150 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2wsf n PHE 150 Cb 0.00 -1.66 0.00 0.00 -0.01 0.00 0.00 39.48 37.81 2wsf n PHE 150 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2wsf n GLN 151 N -0.56 0.39 -0.05 -1.08 6.02 -1.24 -4.43 117.38 116.43 2wsf n GLN 151 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 2wsf n GLN 151 Cb 0.21 -0.05 -0.07 0.00 1.02 0.00 0.00 30.24 31.36 2wsf n GLN 151 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2wsf h ILE 152 N 0.00 1.35 0.00 5.09 2.04 -1.67 -3.34 117.51 120.99 2wsf h ILE 152 Ca 0.00 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.50 2wsf h ILE 152 Cb 0.00 1.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2wsf h ILE 152 CO 0.00 0.40 0.09 0.79 0.00 0.00 0.00 178.15 179.43 2wsf n TRP 153 N -4.52 0.12 -0.21 1.37 8.01 -1.26 -0.89 117.44 120.07 2wsf n TRP 153 Ca -0.06 0.06 -0.01 0.00 -1.31 0.00 0.00 57.50 56.19 2wsf n TRP 153 Cb 0.39 -0.52 0.10 0.00 -2.01 0.00 0.00 31.31 29.26 2wsf n TRP 153 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2wsf h ARG 154 N 0.00 0.48 0.00 -0.99 2.47 -1.77 -3.06 114.38 111.51 2wsf h ARG 154 Ca 0.00 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2wsf h ARG 154 Cb 0.18 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 2wsf h ARG 154 CO 0.00 0.32 0.00 0.00 0.56 0.00 0.00 179.97 180.85 2wsf n ALA 155 N -2.42 0.00 0.00 0.04 0.00 -0.07 -4.63 120.51 113.43 2wsf n ALA 155 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2wsf n ALA 155 Cb 0.24 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.73 2wsf n ALA 155 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wsf n SER 156 N -1.51 0.00 -3.37 0.00 3.41 -1.16 -4.66 113.62 106.34 2wsf n SER 156 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 2wsf n SER 156 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 2wsf n SER 156 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wsf n GLY 157 N 0.00 1.01 0.00 5.00 0.00 -1.26 -2.20 105.19 107.74 2wsf n GLY 157 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2wsf n GLY 157 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2wsf n ILE 158 N 6.34 0.00 -1.29 -0.61 3.06 -1.25 -4.89 119.36 120.72 2wsf n ILE 158 Ca 0.35 0.00 0.03 0.00 -2.50 0.00 0.00 62.75 60.63 2wsf n ILE 158 Cb 0.30 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.47 2wsf n ILE 158 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2wsf n THR 159 N 0.00 -1.46 0.00 9.51 -2.24 -0.94 -4.50 114.28 114.66 2wsf n THR 159 Ca 0.00 0.81 0.00 0.00 -2.27 0.00 0.00 64.05 62.59 2wsf n THR 159 Cb 0.00 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 66.91 2wsf n THR 159 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2wsf n SER 160 N -2.76 0.00 0.09 3.42 7.64 -1.26 -4.95 113.62 115.80 2wsf n SER 160 Ca -0.02 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.74 2wsf n SER 160 Cb 0.33 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.44 2wsf n SER 160 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2wsf h GLU 161 N 0.00 -0.26 -0.09 1.43 5.08 -1.98 -2.81 114.58 115.95 2wsf h GLU 161 Ca 0.00 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2wsf h GLU 161 Cb 0.00 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2wsf h GLU 161 CO 0.00 0.11 0.17 -0.07 -1.00 0.00 0.00 179.01 178.22 2wsf h LEU 162 N -0.74 0.00 0.30 1.33 4.07 -1.97 -2.91 115.31 115.40 2wsf h LEU 162 Ca -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 2wsf h LEU 162 Cb 0.50 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.24 2wsf h LEU 162 CO 0.05 0.00 -0.15 0.06 -1.08 0.00 0.00 178.44 177.32 2wsf h GLN 163 N 0.00 -0.39 -0.18 1.13 3.07 -1.87 -2.18 115.11 114.69 2wsf h GLN 163 Ca 0.04 0.03 0.05 0.00 0.09 0.00 0.00 58.65 58.86 2wsf h GLN 163 Cb 0.38 0.09 -0.01 0.00 0.08 0.00 0.00 27.48 28.02 2wsf h GLN 163 CO -0.00 -0.05 0.59 -0.07 0.09 0.00 0.00 178.83 179.39 2wsf h LEU 164 N -0.85 0.00 0.00 0.06 4.07 -1.39 2.29 115.31 119.49 2wsf h LEU 164 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 2wsf h LEU 164 Cb 0.52 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.26 2wsf h LEU 164 CO 0.07 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.43 2wsf n TYR 165 N -2.99 0.00 -0.05 1.13 9.36 -0.83 -0.61 117.16 123.17 2wsf n TYR 165 Ca 0.03 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.13 2wsf n TYR 165 Cb 0.67 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.35 2wsf n TYR 165 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wsf h THR 167 N -0.45 0.32 0.27 0.00 1.35 -1.49 0.72 112.91 113.63 2wsf h THR 167 Ca -0.26 -0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.59 2wsf h THR 167 Cb 1.12 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 2wsf h THR 167 CO -0.16 0.00 -0.13 0.00 -0.25 0.00 0.00 175.52 174.98 2wsf h ALA 168 N 1.33 -0.37 -0.05 6.62 0.00 -1.06 -2.30 119.26 123.44 2wsf h ALA 168 Ca 0.65 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 55.20 2wsf h ALA 168 Cb 2.59 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 20.51 2wsf h ALA 168 CO -0.02 -0.50 -0.71 0.82 0.00 0.00 0.00 179.25 178.84 2wsf h ILE 169 N -0.79 1.42 -1.10 0.00 2.04 -1.42 -0.47 117.51 117.19 2wsf h ILE 169 Ca -0.04 -2.22 0.31 0.00 1.00 0.00 0.00 64.86 63.91 2wsf h ILE 169 Cb 0.51 2.17 -0.06 0.00 -0.74 0.00 0.00 36.82 38.71 2wsf h ILE 169 CO 0.06 0.65 0.77 1.23 0.00 0.00 0.00 178.15 180.87 2wsf h GLY 170 N 1.58 0.28 0.44 5.37 0.00 0.34 0.63 103.07 111.70 2wsf h GLY 170 Ca -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 2wsf h GLY 170 CO 0.11 -0.03 -0.06 0.00 0.00 0.00 0.00 176.54 176.56 2wsf h ALA 171 N 1.48 0.03 0.00 3.60 0.00 -0.49 -2.96 119.26 120.93 2wsf h ALA 171 Ca 0.54 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2wsf h ALA 171 Cb 1.99 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 2wsf h ALA 171 CO -0.07 -0.11 -0.10 1.25 0.00 0.00 0.00 179.25 180.22 2wsf h LEU 172 N -0.52 0.00 0.62 0.00 6.46 -0.49 -2.84 115.31 118.53 2wsf h LEU 172 Ca -0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 2wsf h LEU 172 Cb 0.69 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.63 2wsf h LEU 172 CO 0.01 0.10 -0.30 -0.37 -0.62 0.00 0.00 178.44 177.27 2wsf h VAL 173 N 0.00 0.00 -0.47 1.05 -1.51 0.15 -3.31 116.25 112.16 2wsf h VAL 173 Ca -0.00 -0.11 -0.12 0.00 -1.23 0.00 0.00 66.70 65.24 2wsf h VAL 173 Cb 0.42 0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 29.56 2wsf h VAL 173 CO 0.01 0.00 0.31 -0.36 -1.23 0.00 0.00 177.57 176.30 2wsf s PHE 174 N -4.58 1.41 0.00 5.19 0.40 -1.07 -3.47 117.98 115.85 2wsf s PHE 174 Ca -0.12 1.48 0.00 0.00 -0.60 0.00 0.00 56.93 57.68 2wsf s PHE 174 Cb 0.01 -3.67 0.00 0.00 0.51 0.00 0.00 43.02 39.88 2wsf s PHE 174 CO 0.37 -1.57 0.00 0.00 0.70 0.00 0.00 175.22 174.71 2wsf n ALA 175 N 16.92 0.00 0.00 5.36 0.00 -1.25 -4.73 120.51 136.82 2wsf n ALA 175 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2wsf n ALA 175 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2wsf n ALA 175 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wsf n GLY 176 N 0.00 2.14 0.06 0.00 0.00 -1.26 -4.54 105.19 101.58 2wsf n GLY 176 Ca 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 46.02 45.65 2wsf n GLY 176 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wsf h LEU 177 N 0.00 0.00 -3.88 0.99 -0.00 -1.85 -1.37 115.31 109.20 2wsf h LEU 177 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 2wsf h LEU 177 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.63 2wsf h LEU 177 CO 0.00 0.62 -0.08 0.80 -0.00 0.00 0.00 178.44 179.78 2wsf n MET 178 N -4.55 1.13 0.00 1.13 1.56 -1.26 -0.73 117.12 114.39 2wsf n MET 178 Ca -0.04 -0.42 0.00 0.00 -0.27 0.00 0.00 57.70 56.97 2wsf n MET 178 Cb 0.15 -1.57 0.00 0.00 2.15 0.00 0.00 33.22 33.95 2wsf n MET 178 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 2wsf n LEU 179 N 2.24 0.00 -0.79 -0.89 -0.00 -1.25 -3.45 117.00 112.85 2wsf n LEU 179 Ca 0.18 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.31 2wsf n LEU 179 Cb 0.53 0.00 0.30 0.00 -0.00 0.00 0.00 43.42 44.25 2wsf n LEU 179 CO 0.09 0.00 0.74 0.49 -0.00 0.00 0.00 177.39 178.71 2wsf n PHE 180 N 0.00 0.17 0.20 1.96 3.72 0.09 -3.44 117.46 120.15 2wsf n PHE 180 Ca 0.00 -0.08 0.09 0.00 -0.05 0.00 0.00 57.45 57.41 2wsf n PHE 180 Cb 0.00 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 38.69 2wsf n PHE 180 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wsf h ALA 181 N 4.42 0.90 0.03 4.37 0.00 -1.68 -0.61 119.26 126.70 2wsf h ALA 181 Ca 0.00 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.55 2wsf h ALA 181 Cb 0.75 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2wsf h ALA 181 CO 0.00 0.19 -1.03 0.78 0.00 0.00 0.00 179.25 179.20 2wsf h GLY 182 N 3.76 0.08 0.62 0.00 0.00 -1.85 -0.75 103.07 104.93 2wsf h GLY 182 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2wsf h GLY 182 CO 0.02 0.17 -0.06 -0.25 0.00 0.00 0.00 176.54 176.42 2wsf h TRP 183 N 0.02 -0.14 0.00 5.60 7.01 -1.64 -3.11 115.95 123.69 2wsf h TRP 183 Ca -0.04 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.96 2wsf h TRP 183 Cb 1.77 0.05 0.00 0.00 -2.10 0.00 0.00 29.16 28.87 2wsf h TRP 183 CO 0.02 0.22 0.00 0.34 -2.79 0.00 0.00 178.44 176.22 2wsf n PHE 184 N -4.99 0.00 0.00 2.65 7.35 -0.24 -2.62 117.46 119.61 2wsf n PHE 184 Ca -0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.60 2wsf n PHE 184 Cb 0.22 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 40.03 2wsf n PHE 184 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 2wsf n HIS 185 N 0.28 0.00 -0.06 -5.13 8.25 -0.30 -4.87 115.22 113.39 2wsf n HIS 185 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wsf n HIS 185 Cb 0.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.18 2wsf n HIS 185 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2wsf n TYR 186 N 0.00 -0.00 -0.27 4.41 4.19 -1.25 0.26 117.16 124.49 2wsf n TYR 186 Ca 0.00 0.20 -0.02 0.00 3.31 0.00 0.00 57.90 61.40 2wsf n TYR 186 Cb 0.00 -0.56 0.10 0.00 0.49 0.00 0.00 39.34 39.38 2wsf n TYR 186 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 2wsf h HIS 187 N 0.00 0.88 -4.02 2.98 3.86 -1.78 -3.39 115.15 113.68 2wsf h HIS 187 Ca 0.05 0.03 -0.51 0.00 -1.16 0.00 0.00 60.37 58.78 2wsf h HIS 187 Cb 0.10 -0.29 0.07 0.00 1.06 0.00 0.00 27.41 28.35 2wsf h HIS 187 CO -0.15 0.48 0.48 -1.59 0.86 0.00 0.00 177.93 178.02 2wsf s LYS 188 N -6.10 3.65 0.00 2.45 0.00 0.74 -4.86 119.74 115.62 2wsf s LYS 188 Ca -0.13 1.77 0.00 0.00 0.00 0.00 0.00 55.97 57.61 2wsf s LYS 188 Cb 0.17 -2.33 0.00 0.00 0.00 0.00 0.00 37.83 35.67 2wsf s LYS 188 CO 0.78 -0.64 0.00 0.00 0.00 0.00 0.00 175.35 175.49 2wsf n ALA 189 N -0.65 1.02 -1.60 0.59 0.00 -1.26 -4.73 120.51 113.88 2wsf n ALA 189 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.54 2wsf n ALA 189 Cb 0.48 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 19.00 2wsf n ALA 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wsf n ALA 190 N 0.57 -2.16 -1.00 0.00 0.00 -1.26 -5.00 120.51 111.66 2wsf n ALA 190 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2wsf n ALA 190 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 17.95 2wsf n ALA 190 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wsf n PRO 191 N -2.80 0.93 -1.02 0.00 -0.02 -1.26 -5.12 135.00 125.71 2wsf n PRO 191 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2wsf n PRO 191 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 2wsf n PRO 191 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wsf n LYS 192 N -0.05 0.00 0.00 -0.52 5.02 -1.26 -5.00 118.16 116.34 2wsf n LYS 192 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wsf n LYS 192 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wsf n LYS 192 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wsf n LEU 193 N 0.00 0.00 -0.18 -0.35 7.99 -1.26 -2.10 117.00 121.10 2wsf n LEU 193 Ca 0.00 0.02 0.03 0.00 -0.01 0.00 0.00 56.01 56.05 2wsf n LEU 193 Cb 0.00 0.00 0.07 0.00 -0.11 0.00 0.00 43.42 43.38 2wsf n LEU 193 CO 0.00 0.00 0.33 0.00 -1.51 0.00 0.00 177.39 176.21 2wsf n ALA 194 N -1.23 0.12 -0.32 -1.18 0.00 -1.26 0.18 120.51 116.81 2wsf n ALA 194 Ca 0.00 0.54 0.14 0.00 0.00 0.00 0.00 53.44 54.12 2wsf n ALA 194 Cb 0.00 -0.33 0.32 0.00 0.00 0.00 0.00 19.45 19.45 2wsf n ALA 194 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2wsf h TRP 195 N 0.00 0.79 0.00 0.00 7.01 -1.70 7.90 115.95 129.95 2wsf h TRP 195 Ca 0.24 0.04 -0.27 0.00 2.11 0.00 0.00 58.89 61.01 2wsf h TRP 195 Cb 0.36 -0.20 -0.05 0.00 -2.10 0.00 0.00 29.16 27.17 2wsf h TRP 195 CO -0.38 0.02 -2.01 1.97 -2.79 0.00 0.00 178.44 175.25 2wsf n PHE 196 N -4.97 0.00 1.92 2.65 1.16 0.32 -4.46 117.46 114.08 2wsf n PHE 196 Ca 0.23 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.92 2wsf n PHE 196 Cb 0.66 -0.72 0.62 0.00 -1.61 0.00 0.00 39.48 38.43 2wsf n PHE 196 CO 0.00 0.00 0.00 0.94 -1.87 0.00 0.00 176.76 175.83 2wsf n GLN 197 N -2.61 1.09 -3.68 3.97 -0.06 0.47 -2.43 117.38 114.12 2wsf n GLN 197 Ca -0.25 -0.13 -0.39 0.00 -2.00 0.00 0.00 57.00 54.23 2wsf n GLN 197 Cb 0.96 -1.35 -0.12 0.00 -4.06 0.00 0.00 30.24 25.67 2wsf n GLN 197 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2wsf s ASP 198 N -1.68 5.50 0.30 1.69 1.11 2.52 -4.66 116.67 121.45 2wsf s ASP 198 Ca 0.33 -1.16 0.21 0.00 0.18 0.00 0.00 52.55 52.11 2wsf s ASP 198 Cb 0.15 -1.94 0.14 0.00 1.07 0.00 0.00 42.92 42.35 2wsf s ASP 198 CO 0.26 -0.38 1.31 0.58 1.18 0.00 0.00 175.17 178.12 2wsf h VAL 199 N 6.07 0.15 -0.72 -1.27 2.07 -1.72 -3.43 116.25 117.40 2wsf h VAL 199 Ca -0.24 -1.25 0.25 0.00 0.82 0.00 0.00 66.70 66.29 2wsf h VAL 199 Cb 1.09 1.88 -0.08 0.00 -1.52 0.00 0.00 31.29 32.66 2wsf h VAL 199 CO 0.65 0.09 0.46 -0.62 0.02 0.00 0.00 177.57 178.16 2wsf n GLU 200 N -2.94 -0.02 -0.01 1.57 1.02 -1.26 -0.27 120.64 118.72 2wsf n GLU 200 Ca 0.01 0.67 0.09 0.00 -0.02 0.00 0.00 57.16 57.91 2wsf n GLU 200 Cb 0.59 -1.32 -0.13 0.00 -0.02 0.00 0.00 31.44 30.56 2wsf n GLU 200 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2wsf n SER 201 N -3.77 1.07 -0.34 1.62 3.41 -1.26 -4.06 113.62 110.28 2wsf n SER 201 Ca 0.21 -0.01 -0.07 0.00 -0.26 0.00 0.00 58.87 58.74 2wsf n SER 201 Cb 0.82 1.77 -0.03 0.00 -0.26 0.00 0.00 64.21 66.51 2wsf n SER 201 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 2wsf h MET 202 N 0.00 -0.07 -0.68 4.33 4.05 -1.00 0.69 114.93 122.25 2wsf h MET 202 Ca 0.00 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.45 2wsf h MET 202 Cb 0.78 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.55 2wsf h MET 202 CO 0.00 -0.05 0.43 -0.07 0.23 0.00 0.00 176.91 177.46 2wsf h LEU 203 N -0.07 0.72 -9.08 3.39 4.07 -1.92 -3.07 115.31 109.36 2wsf h LEU 203 Ca 0.23 -0.01 -0.59 0.00 0.08 0.00 0.00 57.88 57.59 2wsf h LEU 203 Cb 0.52 -0.17 0.01 0.00 1.08 0.00 0.00 40.66 42.10 2wsf h LEU 203 CO -0.88 0.51 1.34 0.59 -1.08 0.00 0.00 178.44 178.91 2wsf n ASN 204 N -4.66 3.38 0.00 -0.43 3.02 0.24 -1.22 115.26 115.59 2wsf n ASN 204 Ca 0.06 0.57 0.00 0.00 -0.03 0.00 0.00 54.58 55.19 2wsf n ASN 204 Cb 0.06 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 37.76 2wsf n ASN 204 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2wsf n HIS 205 N 9.32 0.00 0.00 3.10 8.25 -1.22 -4.84 115.22 129.83 2wsf n HIS 205 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 2wsf n HIS 205 Cb 0.37 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 2wsf n HIS 205 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2wsf n HIS 206 N 0.00 0.00 0.05 4.41 8.25 -0.36 -0.91 115.22 126.66 2wsf n HIS 206 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 2wsf n HIS 206 Cb 0.00 -0.43 0.33 0.00 1.12 0.00 0.00 29.99 31.01 2wsf n HIS 206 CO 0.00 0.00 0.00 1.37 0.64 0.00 0.00 176.34 178.35 2wsf h LEU 207 N 0.00 0.37 0.60 2.41 -0.00 -1.57 -2.79 115.31 114.32 2wsf h LEU 207 Ca 0.00 -0.08 -0.03 0.00 -0.00 0.00 0.00 57.88 57.77 2wsf h LEU 207 Cb 0.00 -0.10 0.01 0.00 -0.00 0.00 0.00 40.66 40.57 2wsf h LEU 207 CO 0.00 0.50 -0.29 0.00 -0.00 0.00 0.00 178.44 178.65 2wsf h ALA 208 N 1.55 -0.80 -2.08 0.17 0.00 -1.12 -2.19 119.26 114.79 2wsf h ALA 208 Ca 0.08 -0.20 -0.56 0.00 0.00 0.00 0.00 54.91 54.23 2wsf h ALA 208 Cb 0.38 0.31 -0.40 0.00 0.00 0.00 0.00 17.79 18.08 2wsf h ALA 208 CO 0.02 -0.88 -0.93 0.41 0.00 0.00 0.00 179.25 177.87 2wsf n GLY 209 N -1.04 3.77 0.00 0.00 0.00 -0.09 -2.55 105.19 105.28 2wsf n GLY 209 Ca -0.12 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.86 2wsf n GLY 209 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wsf n LEU 210 N 0.95 0.00 -0.09 0.99 0.00 -1.25 -4.05 117.00 113.54 2wsf n LEU 210 Ca 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 56.01 56.20 2wsf n LEU 210 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.92 2wsf n LEU 210 CO 0.26 0.00 0.78 -0.07 0.00 0.00 0.00 177.39 178.36 2wsf h LEU 211 N 0.00 -0.40 0.01 -1.96 -0.00 -1.66 0.62 115.31 111.93 2wsf h LEU 211 Ca 0.00 0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 57.99 2wsf h LEU 211 Cb 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 2wsf h LEU 211 CO 0.00 -0.15 -0.01 1.23 -0.00 0.00 0.00 178.44 179.52 2wsf h GLY 212 N -0.04 -0.02 -0.11 0.83 0.00 -1.36 -3.35 103.07 99.01 2wsf h GLY 212 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2wsf h GLY 212 CO -0.37 -0.01 0.00 1.04 0.00 0.00 0.00 176.54 177.20 2wsf n LEU 213 N -2.11 0.00 -3.74 3.11 4.77 -1.25 -0.17 117.00 117.61 2wsf n LEU 213 Ca -0.00 -0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 2wsf n LEU 213 Cb 0.01 -0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.95 2wsf n LEU 213 CO 0.00 0.00 -0.24 -0.83 -1.33 0.00 0.00 177.39 175.00 2wsf s GLY 214 N -1.84 -0.01 0.00 -0.72 0.00 0.21 -3.11 107.32 101.85 2wsf s GLY 214 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 44.72 45.36 2wsf s GLY 214 CO 0.00 1.04 0.00 -1.26 0.00 0.00 0.00 173.10 172.88 2wsf n SER 215 N 4.33 0.00 0.00 1.64 2.88 -1.25 -4.34 113.62 116.88 2wsf n SER 215 Ca -0.24 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.30 2wsf n SER 215 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 2wsf n SER 215 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2wsf n LEU 216 N 0.00 0.11 -0.31 2.46 -0.00 0.76 -0.29 117.00 119.74 2wsf n LEU 216 Ca 0.00 0.77 0.16 0.00 -0.00 0.00 0.00 56.01 56.94 2wsf n LEU 216 Cb 0.00 -0.32 0.34 0.00 -0.00 0.00 0.00 43.42 43.44 2wsf n LEU 216 CO 0.00 -0.32 0.97 -1.28 -0.00 0.00 0.00 177.39 176.76 2wsf h SER 217 N 0.00 0.06 -0.45 1.96 0.87 -1.71 0.93 113.55 115.21 2wsf h SER 217 Ca 0.00 0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 2wsf h SER 217 Cb 0.00 0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2wsf h SER 217 CO 0.00 -0.18 0.25 -0.25 -0.53 0.00 0.00 176.83 176.12 2wsf h TRP 218 N 0.20 0.62 0.19 2.24 2.91 -1.82 -1.07 115.95 119.23 2wsf h TRP 218 Ca 0.60 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.63 2wsf h TRP 218 Cb 1.27 -0.20 -0.04 0.00 -0.51 0.00 0.00 29.16 29.68 2wsf h TRP 218 CO -0.23 0.44 -0.48 0.00 -1.03 0.00 0.00 178.44 177.15 2wsf h ALA 219 N 1.63 -0.91 -0.30 2.65 0.00 0.40 -2.41 119.26 120.32 2wsf h ALA 219 Ca 0.17 -0.11 -0.46 0.00 0.00 0.00 0.00 54.91 54.51 2wsf h ALA 219 Cb 0.02 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2wsf h ALA 219 CO -0.03 -1.08 1.56 0.54 0.00 0.00 0.00 179.25 180.25 2wsf n ARG 220 N -5.49 1.59 0.00 0.00 1.74 -0.40 0.10 116.66 114.20 2wsf n ARG 220 Ca -0.09 -2.25 0.00 0.00 -0.77 0.00 0.00 57.85 54.75 2wsf n ARG 220 Cb 0.41 -3.41 0.00 0.00 -1.02 0.00 0.00 32.46 28.44 2wsf n ARG 220 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2wsf n HIS 221 N 11.64 0.00 -0.54 -1.55 -0.00 -1.24 -4.92 115.22 118.61 2wsf n HIS 221 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.19 2wsf n HIS 221 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.43 2wsf n HIS 221 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 2wsf n GLN 222 N 0.00 0.86 0.00 1.57 7.27 0.28 -4.56 117.38 122.80 2wsf n GLN 222 Ca 0.00 -0.75 0.00 0.00 0.07 0.00 0.00 57.00 56.32 2wsf n GLN 222 Cb 0.00 -0.73 0.00 0.00 2.41 0.00 0.00 30.24 31.92 2wsf n GLN 222 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 2wsf n VAL 223 N -0.16 0.00 -1.48 1.69 3.14 -1.20 -4.08 118.33 116.24 2wsf n VAL 223 Ca 0.00 0.00 -0.53 0.00 -2.96 0.00 0.00 64.34 60.85 2wsf n VAL 223 Cb 0.31 -0.26 -0.07 0.00 -1.06 0.00 0.00 33.84 32.76 2wsf n VAL 223 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 2wsf n HIS 224 N -2.39 1.67 0.00 1.45 8.25 -1.26 -4.07 115.22 118.86 2wsf n HIS 224 Ca 0.00 0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.81 2wsf n HIS 224 Cb 0.00 -2.50 0.00 0.00 1.12 0.00 0.00 29.99 28.61 2wsf n HIS 224 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2wsf n VAL 225 N 6.64 0.00 -0.05 1.59 0.24 -1.26 -3.74 118.33 121.76 2wsf n VAL 225 Ca 0.39 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.68 2wsf n VAL 225 Cb 0.19 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.56 2wsf n VAL 225 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2wsf h SER 226 N 0.00 0.00 -0.91 -1.34 4.64 -1.80 -2.80 113.55 111.33 2wsf h SER 226 Ca 0.00 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.48 2wsf h SER 226 Cb 0.00 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 61.93 2wsf h SER 226 CO 0.00 0.47 -0.33 -0.07 -0.87 0.00 0.00 176.83 176.03 2wsf h LEU 227 N -0.78 -1.21 -0.74 5.97 4.07 -1.74 -0.30 115.31 120.59 2wsf h LEU 227 Ca 0.00 0.29 -0.10 0.00 0.08 0.00 0.00 57.88 58.14 2wsf h LEU 227 Cb 0.17 0.67 -0.02 0.00 1.08 0.00 0.00 40.66 42.57 2wsf h LEU 227 CO 0.00 -0.30 -0.15 1.55 -1.08 0.00 0.00 178.44 178.46 2wsf h PRO 228 N -0.03 0.81 -1.03 1.13 0.13 -1.71 0.33 132.00 131.63 2wsf h PRO 228 Ca 0.36 -0.29 -0.12 0.00 -0.87 0.00 0.00 66.00 65.08 2wsf h PRO 228 Cb 0.62 -0.05 -0.07 0.00 0.13 0.00 0.00 31.00 31.62 2wsf h PRO 228 CO -0.93 0.91 0.15 -0.89 -0.23 0.00 0.00 178.00 177.01 2wsf n ILE 229 N -4.14 1.54 -1.85 -3.56 -0.00 -0.16 -1.40 119.36 109.79 2wsf n ILE 229 Ca 0.01 -0.46 0.00 0.00 -0.00 0.00 0.00 62.75 62.29 2wsf n ILE 229 Cb 0.40 -0.90 0.00 0.00 -0.00 0.00 0.00 39.64 39.14 2wsf n ILE 229 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 2wsf n ASN 230 N 0.15 0.00 0.07 4.38 6.94 -0.97 -4.69 115.26 121.13 2wsf n ASN 230 Ca 0.14 -0.92 -0.21 0.00 -0.02 0.00 0.00 54.58 53.56 2wsf n ASN 230 Cb 0.76 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 38.06 2wsf n ASN 230 CO 0.00 0.00 0.00 -0.61 -1.03 0.00 0.00 177.26 175.62 2wsf h GLN 231 N 0.00 0.56 -0.62 -3.83 5.75 0.87 -3.19 115.11 114.65 2wsf h GLN 231 Ca 0.00 -0.72 -0.38 0.00 -0.15 0.00 0.00 58.65 57.40 2wsf h GLN 231 Cb 0.53 0.23 -0.23 0.00 1.07 0.00 0.00 27.48 29.09 2wsf h GLN 231 CO 0.00 1.31 0.02 1.97 -2.65 0.00 0.00 178.83 179.48 2wsf n PHE 232 N -3.92 2.02 -0.09 3.99 -1.74 -1.02 -4.19 117.46 112.51 2wsf n PHE 232 Ca -0.13 -2.02 -0.12 0.00 -0.56 0.00 0.00 57.45 54.63 2wsf n PHE 232 Cb 0.90 -0.69 -0.11 0.00 1.52 0.00 0.00 39.48 41.11 2wsf n PHE 232 CO 0.00 0.00 0.00 -0.11 -0.56 0.00 0.00 176.76 176.09 2wsf n LEU 233 N -1.01 1.87 -2.86 5.98 0.00 -1.24 -4.71 117.00 115.03 2wsf n LEU 233 Ca 0.44 -0.07 -0.08 0.00 0.00 0.00 0.00 56.01 56.30 2wsf n LEU 233 Cb 1.03 -0.30 -0.02 0.00 0.00 0.00 0.00 43.42 44.13 2wsf n LEU 233 CO 0.39 0.67 1.38 0.59 0.00 0.00 0.00 177.39 180.42 2wsf n ASN 234 N -2.90 2.05 0.10 1.96 4.13 -1.20 -2.28 115.26 117.11 2wsf n ASN 234 Ca -0.32 -2.03 0.00 0.00 1.68 0.00 0.00 54.58 53.91 2wsf n ASN 234 Cb 0.93 -0.66 0.00 0.00 -1.54 0.00 0.00 39.78 38.51 2wsf n ASN 234 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wsf n ALA 235 N 4.07 0.00 -2.00 5.41 0.00 -1.26 -5.02 120.51 121.71 2wsf n ALA 235 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2wsf n ALA 235 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 2wsf n ALA 235 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wsf n GLY 236 N -1.39 -1.09 2.49 0.00 0.00 -0.97 -5.18 105.19 99.06 2wsf n GLY 236 Ca 0.00 0.70 0.11 0.00 0.00 0.00 0.00 46.02 46.82 2wsf n GLY 236 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wsf n VAL 237 N 0.00 0.00 -3.69 1.61 0.24 -1.26 -4.88 118.33 110.35 2wsf n VAL 237 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.11 2wsf n VAL 237 Cb 0.00 -0.27 -0.18 0.00 -1.47 0.00 0.00 33.84 31.93 2wsf n VAL 237 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2wsf s ASP 238 N -5.06 0.95 0.41 -1.34 1.11 -1.26 -4.96 116.67 106.52 2wsf s ASP 238 Ca 0.00 0.08 -0.21 0.00 0.18 0.00 0.00 52.55 52.60 2wsf s ASP 238 Cb 0.00 -0.12 -0.16 0.00 1.07 0.00 0.00 42.92 43.72 2wsf s ASP 238 CO 0.00 -0.23 0.08 -2.65 1.18 0.00 0.00 175.17 173.55 2wsf n PRO 239 N 5.12 0.01 0.00 8.23 -0.02 -1.26 -1.04 135.00 146.04 2wsf n PRO 239 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 2wsf n PRO 239 Cb 0.50 -1.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.97 2wsf n PRO 239 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2wsf n LYS 240 N 1.33 0.00 -0.36 -0.52 3.00 -1.26 -4.60 118.16 115.75 2wsf n LYS 240 Ca 0.11 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.44 2wsf n LYS 240 Cb 0.40 -1.80 0.15 0.00 0.00 0.00 0.00 35.03 33.78 2wsf n LYS 240 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2wsf n GLU 241 N -1.93 2.41 0.00 1.64 0.00 -0.21 -4.75 120.64 117.80 2wsf n GLU 241 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 57.16 55.95 2wsf n GLU 241 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 31.44 29.67 2wsf n GLU 241 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 2wsf n ILE 242 N 0.20 0.00 -3.34 6.31 -0.00 -1.26 -4.76 119.36 116.51 2wsf n ILE 242 Ca 0.12 0.00 -0.34 0.00 -0.00 0.00 0.00 62.75 62.53 2wsf n ILE 242 Cb 0.65 0.00 -0.05 0.00 -0.00 0.00 0.00 39.64 40.24 2wsf n ILE 242 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 2wsf n PRO 243 N -1.20 3.20 -0.62 6.28 -0.04 -1.26 -5.07 135.00 136.29 2wsf n PRO 243 Ca 0.00 -4.59 -0.24 0.00 -0.04 0.00 0.00 63.50 58.63 2wsf n PRO 243 Cb 0.00 -2.38 0.02 0.00 -0.04 0.00 0.00 33.50 31.10 2wsf n PRO 243 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wsf n LEU 244 N 1.34 -1.87 -0.04 1.53 4.32 -1.26 -3.95 117.00 117.06 2wsf n LEU 244 Ca 0.27 0.00 0.14 0.00 -0.02 0.00 0.00 56.01 56.40 2wsf n LEU 244 Cb 0.37 -0.31 0.60 0.00 -1.62 0.00 0.00 43.42 42.47 2wsf n LEU 244 CO 0.50 -1.57 0.88 -2.65 -1.22 0.00 0.00 177.39 173.33 2wsf n PRO 245 N 1.54 0.34 0.04 3.23 -0.02 -1.26 -4.65 135.00 134.22 2wsf n PRO 245 Ca -0.01 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 2wsf n PRO 245 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 2wsf n PRO 245 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2wsf n HIS 246 N -1.26 -0.65 0.00 6.00 8.25 -1.26 -4.92 115.22 121.38 2wsf n HIS 246 Ca 0.11 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 2wsf n HIS 246 Cb 0.29 0.43 0.00 0.00 1.12 0.00 0.00 29.99 31.83 2wsf n HIS 246 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2wsf n GLU 247 N -2.87 0.00 -1.73 -0.41 4.07 -1.26 -3.14 120.64 115.31 2wsf n GLU 247 Ca 0.00 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.73 2wsf n GLU 247 Cb 0.07 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.48 2wsf n GLU 247 CO 0.00 0.00 0.00 1.97 -0.06 0.00 0.00 177.13 179.04 2wsf n PHE 248 N 0.00 2.79 -1.98 4.31 -0.00 -1.26 -4.72 117.46 116.60 2wsf n PHE 248 Ca 0.00 -2.38 0.00 0.00 -0.00 0.00 0.00 57.45 55.07 2wsf n PHE 248 Cb 0.00 -1.26 0.00 0.00 -0.00 0.00 0.00 39.48 38.22 2wsf n PHE 248 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.76 178.27 2wsf n ILE 249 N -0.38 0.00 0.02 1.97 3.06 -1.19 -4.89 119.36 117.95 2wsf n ILE 249 Ca 0.54 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.79 2wsf n ILE 249 Cb 0.36 -0.47 0.00 0.00 0.54 0.00 0.00 39.64 40.07 2wsf n ILE 249 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2wsf n LEU 250 N 0.00 0.00 -0.37 9.51 4.77 -1.26 -2.79 117.00 126.86 2wsf n LEU 250 Ca 0.00 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2wsf n LEU 250 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2wsf n LEU 250 CO 0.00 -0.03 0.18 0.59 -1.33 0.00 0.00 177.39 176.80 2wsf n ASN 251 N -0.58 0.43 -0.37 -1.43 4.13 -1.26 -4.69 115.26 111.49 2wsf n ASN 251 Ca 0.00 -1.15 0.00 0.00 1.68 0.00 0.00 54.58 55.11 2wsf n ASN 251 Cb 0.06 -0.22 0.00 0.00 -1.54 0.00 0.00 39.78 38.08 2wsf n ASN 251 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 2wsf n ARG 252 N 0.03 0.00 -0.07 3.52 1.85 -1.12 -3.02 116.66 117.85 2wsf n ARG 252 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.77 2wsf n ARG 252 Cb 0.11 -0.10 -0.09 0.00 -1.05 0.00 0.00 32.46 31.33 2wsf n ARG 252 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2wsf n ASP 253 N 0.14 2.22 0.11 2.89 -0.08 -1.26 -4.17 116.55 116.40 2wsf n ASP 253 Ca 0.00 -0.03 0.03 0.00 -1.51 0.00 0.00 54.79 53.28 2wsf n ASP 253 Cb 0.00 0.44 0.00 0.00 2.34 0.00 0.00 41.12 43.90 2wsf n ASP 253 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2wsf h LEU 254 N 0.00 0.00 -0.18 -2.67 -0.00 -1.93 -2.90 115.31 107.64 2wsf h LEU 254 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 2wsf h LEU 254 Cb 1.69 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.35 2wsf h LEU 254 CO -0.01 0.45 0.00 -0.11 -0.00 0.00 0.00 178.44 178.77 2wsf n LEU 255 N -3.09 0.07 0.12 1.67 -0.00 -1.26 -1.72 117.00 112.79 2wsf n LEU 255 Ca -0.01 0.53 0.01 0.00 -0.00 0.00 0.00 56.01 56.54 2wsf n LEU 255 Cb 0.74 -0.54 0.35 0.00 -0.00 0.00 0.00 43.42 43.97 2wsf n LEU 255 CO 0.41 -0.55 0.83 0.00 -0.00 0.00 0.00 177.39 178.07 2wsf h ALA 256 N 2.01 1.41 -2.37 1.96 0.00 -1.65 -3.24 119.26 117.38 2wsf h ALA 256 Ca 0.00 -0.26 -0.77 0.00 0.00 0.00 0.00 54.91 53.88 2wsf h ALA 256 Cb 0.00 -0.09 -0.24 0.00 0.00 0.00 0.00 17.79 17.46 2wsf h ALA 256 CO 0.00 0.41 0.61 -0.65 0.00 0.00 0.00 179.25 179.62 2wsf s GLN 257 N -4.57 4.01 0.00 0.00 1.11 -0.70 -3.49 119.66 116.02 2wsf s GLN 257 Ca -0.05 -2.80 0.00 0.00 0.01 0.00 0.00 55.36 52.52 2wsf s GLN 257 Cb 0.15 -4.67 0.00 0.00 -1.01 0.00 0.00 33.01 27.48 2wsf s GLN 257 CO 0.74 -1.41 0.00 -0.11 0.01 0.00 0.00 175.29 174.52 2wsf n LEU 258 N 3.94 0.00 0.00 2.90 7.94 -1.25 -4.99 117.00 125.54 2wsf n LEU 258 Ca 0.25 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 2wsf n LEU 258 Cb 0.42 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.37 2wsf n LEU 258 CO 0.48 0.00 0.00 -1.22 -1.11 0.00 0.00 177.39 175.54 2wsf n TYR 259 N 0.00 0.00 -0.85 1.96 4.01 -1.22 -4.76 117.16 116.30 2wsf n TYR 259 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.41 2wsf n TYR 259 Cb 0.00 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.15 2wsf n TYR 259 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2wsf n PRO 260 N 1.07 -0.22 -1.18 -0.72 -0.04 -1.26 -4.03 135.00 128.61 2wsf n PRO 260 Ca 0.00 -0.01 -0.21 0.00 -0.04 0.00 0.00 63.50 63.23 2wsf n PRO 260 Cb 0.00 -2.00 -0.02 0.00 -0.04 0.00 0.00 33.50 31.44 2wsf n PRO 260 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2wsf n SER 261 N -1.91 6.42 0.00 3.54 7.64 -1.26 -4.83 113.62 123.21 2wsf n SER 261 Ca 0.09 -3.11 0.00 0.00 1.01 0.00 0.00 58.87 56.86 2wsf n SER 261 Cb 0.53 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 2wsf n SER 261 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2wsf n PHE 262 N 0.70 0.00 0.00 1.43 -0.00 -1.26 -4.85 117.46 113.49 2wsf n PHE 262 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.85 2wsf n PHE 262 Cb 0.58 -1.04 0.00 0.00 -0.00 0.00 0.00 39.48 39.02 2wsf n PHE 262 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wsf n ALA 263 N 0.99 0.00 -2.71 1.98 0.00 -1.26 -2.24 120.51 117.26 2wsf n ALA 263 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2wsf n ALA 263 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 2wsf n ALA 263 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wsf n GLU 264 N 0.00 0.44 0.00 0.00 1.02 -1.26 -5.08 120.64 115.76 2wsf n GLU 264 Ca 0.00 -1.31 0.00 0.00 -0.02 0.00 0.00 57.16 55.83 2wsf n GLU 264 Cb 0.00 -0.86 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 2wsf n GLU 264 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wsf n GLY 265 N 1.90 0.00 2.79 0.62 0.00 -0.95 -4.72 105.19 104.84 2wsf n GLY 265 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 2wsf n GLY 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsf n ALA 266 N -2.74 -2.86 -3.00 4.61 0.00 -1.26 -4.76 120.51 110.50 2wsf n ALA 266 Ca 0.00 1.31 -0.00 0.00 0.00 0.00 0.00 53.44 54.74 2wsf n ALA 266 Cb 0.32 -2.73 -0.00 0.00 0.00 0.00 0.00 19.45 17.04 2wsf n ALA 266 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wsf n THR 267 N 1.71 -5.60 0.00 0.00 -1.04 -1.26 -4.67 114.28 103.42 2wsf n THR 267 Ca -0.21 1.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.80 2wsf n THR 267 Cb 0.37 -4.33 0.00 0.00 -1.82 0.00 0.00 70.33 64.55 2wsf n THR 267 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2wsf n PRO 268 N 1.33 0.00 -1.39 -2.82 -0.02 -1.26 -4.94 135.00 125.91 2wsf n PRO 268 Ca -0.03 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.63 2wsf n PRO 268 Cb 0.30 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.73 2wsf n PRO 268 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2wsf n PHE 269 N 0.00 -3.49 -3.90 6.00 3.72 -1.26 -4.79 117.46 113.74 2wsf n PHE 269 Ca 0.00 1.78 -0.30 0.00 -0.05 0.00 0.00 57.45 58.88 2wsf n PHE 269 Cb 0.00 -3.17 -0.15 0.00 -0.94 0.00 0.00 39.48 35.22 2wsf n PHE 269 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 2wsf s PHE 270 N -2.67 2.44 -0.33 1.38 -0.12 -1.26 -4.58 117.98 112.84 2wsf s PHE 270 Ca 0.00 -1.95 0.15 0.00 -0.05 0.00 0.00 56.93 55.08 2wsf s PHE 270 Cb 0.00 -1.84 0.43 0.00 -0.63 0.00 0.00 43.02 40.98 2wsf s PHE 270 CO 0.00 -0.82 1.41 2.41 -0.05 0.00 0.00 175.22 178.17 2wsf n THR 271 N 4.65 0.30 -3.95 -4.49 -1.04 -1.26 -5.14 114.28 103.35 2wsf n THR 271 Ca -0.07 -1.54 -0.35 0.00 -2.04 0.00 0.00 64.05 60.05 2wsf n THR 271 Cb 0.43 1.05 -0.06 0.00 -1.82 0.00 0.00 70.33 69.93 2wsf n THR 271 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wsf s LEU 272 N -3.90 4.26 -0.17 -4.42 1.43 -1.26 -5.01 118.68 109.60 2wsf s LEU 272 Ca 0.15 0.35 -0.00 0.00 -1.03 0.00 0.00 54.13 53.60 2wsf s LEU 272 Cb 0.42 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 44.35 2wsf s LEU 272 CO -0.10 0.33 -0.15 0.21 0.23 0.00 0.00 176.35 176.87 2wsf s ASN 273 N -1.48 3.54 -0.43 2.29 3.84 -1.26 -5.06 114.94 116.37 2wsf s ASN 273 Ca 0.21 -0.53 -0.07 0.00 0.21 0.00 0.00 52.86 52.67 2wsf s ASN 273 Cb -0.12 -1.56 0.10 0.00 -0.55 0.00 0.00 41.25 39.12 2wsf s ASN 273 CO 0.11 0.03 0.27 0.26 -2.79 0.00 0.00 177.10 174.99 2wsf s TRP 274 N 1.11 3.43 -0.85 0.43 0.51 -1.26 -4.86 118.94 117.44 2wsf s TRP 274 Ca 0.00 -1.88 0.25 0.00 -2.12 0.00 0.00 56.10 52.35 2wsf s TRP 274 Cb -0.14 -3.20 0.48 0.00 -0.81 0.00 0.00 33.47 29.80 2wsf s TRP 274 CO -0.05 -0.93 1.40 0.45 -0.51 0.00 0.00 176.95 177.30 2wsf n SER 275 N 4.83 0.54 -2.68 2.95 2.88 -1.26 -4.76 113.62 116.13 2wsf n SER 275 Ca -0.08 -0.06 -0.05 0.00 -1.33 0.00 0.00 58.87 57.36 2wsf n SER 275 Cb 0.42 0.19 0.09 0.00 -0.75 0.00 0.00 64.21 64.15 2wsf n SER 275 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2wsf n LYS 276 N -1.74 0.40 -1.51 -1.46 4.81 -1.26 -5.19 118.16 112.21 2wsf n LYS 276 Ca 0.05 -1.03 -0.00 0.00 -0.87 0.00 0.00 58.31 56.46 2wsf n LYS 276 Cb 0.38 -0.30 0.00 0.00 0.02 0.00 0.00 35.03 35.13 2wsf n LYS 276 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 2wsf n TYR 277 N 0.22 -0.54 -2.61 5.64 4.11 -1.26 -5.10 117.16 117.61 2wsf n TYR 277 Ca -0.07 -0.02 -0.02 0.00 -0.00 0.00 0.00 57.90 57.79 2wsf n TYR 277 Cb 0.73 0.01 0.00 0.00 -0.00 0.00 0.00 39.34 40.08 2wsf n TYR 277 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2wsf n ALA 278 N -2.97 -1.81 -0.77 -3.48 0.00 -1.26 -4.86 120.51 105.36 2wsf n ALA 278 Ca -0.00 -0.34 0.05 0.00 0.00 0.00 0.00 53.44 53.15 2wsf n ALA 278 Cb 0.01 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 2wsf n ALA 278 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wsf n ASP 279 N -0.41 -2.27 0.00 0.00 8.00 -1.26 -4.49 116.55 116.11 2wsf n ASP 279 Ca -0.17 0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.73 2wsf n ASP 279 Cb 0.62 -2.49 0.00 0.00 -0.02 0.00 0.00 41.12 39.23 2wsf n ASP 279 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2wsf n PHE 280 N -3.27 0.00 0.00 1.24 3.72 -1.26 -3.27 117.46 114.62 2wsf n PHE 280 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2wsf n PHE 280 Cb 0.26 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 2wsf n PHE 280 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 176.76 178.18 2wsf n LEU 281 N 0.00 0.00 -2.58 4.37 -0.00 -0.74 -4.64 117.00 113.41 2wsf n LEU 281 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2wsf n LEU 281 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2wsf n LEU 281 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.39 177.80 2wsf n THR 282 N 0.00 0.00 0.00 1.47 -1.04 -1.20 -3.70 114.28 109.80 2wsf n THR 282 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2wsf n THR 282 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2wsf n THR 282 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2wsf n PHE 283 N -0.91 0.00 0.00 -1.42 -0.00 -1.26 -4.89 117.46 108.98 2wsf n PHE 283 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2wsf n PHE 283 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 2wsf n PHE 283 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2wsf n ARG 284 N 0.05 0.00 0.00 -4.13 5.12 -1.26 -4.83 116.66 111.61 2wsf n ARG 284 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2wsf n ARG 284 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2wsf n ARG 284 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wsf n GLY 285 N 3.18 2.05 0.00 -0.13 0.00 -1.26 -4.52 105.19 104.50 2wsf n GLY 285 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2wsf n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wsf n GLY 286 N 0.00 -2.78 2.95 -0.02 0.00 -1.25 -4.69 105.19 99.40 2wsf n GLY 286 Ca 0.00 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 2wsf n GLY 286 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wsf s LEU 287 N 0.00 0.55 0.00 0.99 2.01 -1.26 -4.06 118.68 116.90 2wsf s LEU 287 Ca 0.00 0.37 -0.32 0.00 0.01 0.00 0.00 54.13 54.18 2wsf s LEU 287 Cb 0.00 0.45 -0.11 0.00 0.01 0.00 0.00 46.19 46.55 2wsf s LEU 287 CO 0.00 -0.16 1.90 0.47 1.01 0.00 0.00 176.35 179.57 2wsf n ASP 288 N 4.34 3.81 -4.56 2.29 8.00 -1.26 -4.81 116.55 124.37 2wsf n ASP 288 Ca -0.24 0.95 -0.40 0.00 0.71 0.00 0.00 54.79 55.81 2wsf n ASP 288 Cb 0.52 -1.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.13 2wsf n ASP 288 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 2wsf s PRO 289 N 3.91 2.99 0.00 -0.24 0.02 -1.26 -0.81 135.00 139.62 2wsf s PRO 289 Ca 0.89 0.28 0.00 0.00 0.02 0.00 0.00 61.00 62.19 2wsf s PRO 289 Cb -0.56 -4.25 0.00 0.00 0.02 0.00 0.00 34.50 29.71 2wsf s PRO 289 CO 0.45 -2.33 0.00 1.28 -0.33 0.00 0.00 177.00 176.07 2wsf n LEU 290 N 10.77 0.00 -2.79 -5.54 7.99 -1.26 -4.98 117.00 121.19 2wsf n LEU 290 Ca 0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 56.02 2wsf n LEU 290 Cb 0.50 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.87 2wsf n LEU 290 CO 0.71 0.00 0.21 0.41 -1.51 0.00 0.00 177.39 177.21 2wsf n THR 291 N 0.00 -0.05 0.00 -5.08 -1.04 -0.89 -5.02 114.28 102.21 2wsf n THR 291 Ca 0.00 -1.79 0.00 0.00 -2.04 0.00 0.00 64.05 60.22 2wsf n THR 291 Cb 0.00 1.22 0.00 0.00 -1.82 0.00 0.00 70.33 69.73 2wsf n THR 291 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wsf n GLY 292 N 1.02 0.69 1.48 3.41 0.00 0.01 -4.05 105.19 107.75 2wsf n GLY 292 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 2wsf n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wsf n GLY 293 N 2.38 2.81 0.85 -0.02 0.00 -1.26 -4.67 105.19 105.28 2wsf n GLY 293 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2wsf n GLY 293 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wsf n LEU 294 N 0.04 -0.97 -4.84 0.99 0.00 -1.25 -3.65 117.00 107.32 2wsf n LEU 294 Ca 0.24 1.56 -0.32 0.00 0.00 0.00 0.00 56.01 57.49 2wsf n LEU 294 Cb 0.96 -1.24 -0.01 0.00 0.00 0.00 0.00 43.42 43.13 2wsf n LEU 294 CO 0.26 -0.39 0.70 0.26 0.00 0.00 0.00 177.39 178.22 2wsf s TRP 295 N -4.61 3.42 -0.18 1.96 0.52 -1.26 -4.77 118.94 114.01 2wsf s TRP 295 Ca 0.00 1.42 0.08 0.00 0.02 0.00 0.00 56.10 57.63 2wsf s TRP 295 Cb 0.00 -2.81 -0.17 0.00 -1.15 0.00 0.00 33.47 29.34 2wsf s TRP 295 CO 0.00 -0.60 -0.06 1.28 0.02 0.00 0.00 176.95 177.59 2wsf n LEU 296 N -2.04 1.41 -0.50 2.99 4.32 -1.26 -3.54 117.00 118.39 2wsf n LEU 296 Ca 0.07 -0.05 0.40 0.00 -0.02 0.00 0.00 56.01 56.40 2wsf n LEU 296 Cb 0.54 -0.13 0.64 0.00 -1.62 0.00 0.00 43.42 42.85 2wsf n LEU 296 CO 0.50 0.61 1.16 1.07 -1.22 0.00 0.00 177.39 179.51 2wsf n THR 297 N -2.84 -0.13 -0.05 -5.08 5.66 -1.26 0.13 114.28 110.70 2wsf n THR 297 Ca -0.31 1.46 -0.03 0.00 -3.05 0.00 0.00 64.05 62.12 2wsf n THR 297 Cb 0.97 -2.41 -0.02 0.00 -1.55 0.00 0.00 70.33 67.32 2wsf n THR 297 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 2wsf h ASP 298 N 0.00 0.00 -1.06 1.09 -0.00 -1.68 -1.96 116.42 112.81 2wsf h ASP 298 Ca 0.79 -0.18 0.31 0.00 -0.00 0.00 0.00 57.03 57.95 2wsf h ASP 298 Cb 2.80 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 42.09 2wsf h ASP 298 CO -0.25 0.61 0.98 0.00 -0.00 0.00 0.00 179.24 180.58 2wsf n ILE 299 N -4.74 0.00 0.04 4.15 0.13 0.12 0.15 119.36 119.21 2wsf n ILE 299 Ca -0.02 1.01 -0.11 0.00 -1.10 0.00 0.00 62.75 62.53 2wsf n ILE 299 Cb 0.10 -1.76 -0.08 0.00 -0.84 0.00 0.00 39.64 37.06 2wsf n ILE 299 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2wsf h ALA 300 N 0.53 -0.19 -0.61 1.51 0.00 -1.79 -3.28 119.26 115.43 2wsf h ALA 300 Ca 0.50 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 55.30 2wsf h ALA 300 Cb 2.46 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 20.22 2wsf h ALA 300 CO -0.01 -0.29 0.07 1.25 0.00 0.00 0.00 179.25 180.28 2wsf h HIS 301 N -0.84 0.09 -0.42 0.00 -0.00 0.11 0.54 115.15 114.63 2wsf h HIS 301 Ca -0.02 0.04 -0.07 0.00 -0.00 0.00 0.00 60.37 60.32 2wsf h HIS 301 Cb 0.54 0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.98 2wsf h HIS 301 CO 0.09 -0.10 -0.05 1.25 -0.00 0.00 0.00 177.93 179.12 2wsf h HIS 302 N 0.19 0.75 0.08 5.26 6.17 -1.70 0.55 115.15 126.44 2wsf h HIS 302 Ca 0.32 -0.11 -0.26 0.00 0.71 0.00 0.00 60.37 61.03 2wsf h HIS 302 Cb 0.51 -0.20 0.01 0.00 2.52 0.00 0.00 27.41 30.25 2wsf h HIS 302 CO -0.30 0.73 -1.13 0.45 0.71 0.00 0.00 177.93 178.39 2wsf h HIS 303 N 0.65 0.69 0.85 5.26 3.86 -1.41 -2.25 115.15 122.80 2wsf h HIS 303 Ca 0.12 -0.43 -0.04 0.00 -1.16 0.00 0.00 60.37 58.86 2wsf h HIS 303 Cb 0.47 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.89 2wsf h HIS 303 CO 0.02 1.29 -0.44 1.25 0.86 0.00 0.00 177.93 180.91 2wsf h LEU 304 N 0.19 -1.07 0.00 2.43 6.46 -0.65 -2.25 115.31 120.42 2wsf h LEU 304 Ca -0.13 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 2wsf h LEU 304 Cb 1.80 0.29 0.00 0.00 -0.73 0.00 0.00 40.66 42.02 2wsf h LEU 304 CO 0.20 -0.72 0.09 0.00 -0.62 0.00 0.00 178.44 177.38 2wsf n ALA 305 N -2.63 0.86 -1.23 1.25 0.00 0.19 -2.82 120.51 116.12 2wsf n ALA 305 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2wsf n ALA 305 Cb 0.47 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2wsf n ALA 305 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wsf n ILE 306 N -1.26 0.00 0.00 0.00 2.08 -0.85 -4.52 119.36 114.81 2wsf n ILE 306 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2wsf n ILE 306 Cb 0.09 -0.06 0.00 0.00 -0.75 0.00 0.00 39.64 38.91 2wsf n ILE 306 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wsf n ALA 307 N -3.00 0.00 -0.18 -1.39 0.00 -1.06 0.16 120.51 115.05 2wsf n ALA 307 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2wsf n ALA 307 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2wsf n ALA 307 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wsf n ILE 308 N -1.15 -0.28 -2.79 0.00 5.41 -1.13 0.21 119.36 119.64 2wsf n ILE 308 Ca 0.00 1.06 -0.42 0.00 1.00 0.00 0.00 62.75 64.39 2wsf n ILE 308 Cb 0.00 -1.34 -0.03 0.00 -0.71 0.00 0.00 39.64 37.56 2wsf n ILE 308 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2wsf s LEU 309 N -9.17 4.29 0.00 1.39 0.20 0.44 0.47 118.68 116.30 2wsf s LEU 309 Ca -0.06 1.46 0.00 0.00 0.69 0.00 0.00 54.13 56.22 2wsf s LEU 309 Cb 0.06 -3.43 0.00 0.00 -0.43 0.00 0.00 46.19 42.39 2wsf s LEU 309 CO 0.29 -0.32 0.00 0.49 -0.29 0.00 0.00 176.35 176.52 2wsf n PHE 310 N 4.46 0.00 0.35 5.38 3.72 -1.16 -4.78 117.46 125.43 2wsf n PHE 310 Ca 0.05 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.29 2wsf n PHE 310 Cb 0.50 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.96 2wsf n PHE 310 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2wsf h LEU 311 N 0.00 -0.76 -9.04 4.37 3.38 0.38 -1.12 115.31 112.53 2wsf h LEU 311 Ca 0.00 -0.01 -0.60 0.00 0.09 0.00 0.00 57.88 57.36 2wsf h LEU 311 Cb 0.00 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 40.84 2wsf h LEU 311 CO 0.00 -0.45 0.11 -0.51 0.09 0.00 0.00 178.44 177.67 2wsf s ILE 312 N -5.42 5.02 0.00 1.22 2.07 1.71 -4.38 121.20 121.43 2wsf s ILE 312 Ca -0.16 1.09 0.00 0.00 -1.41 0.00 0.00 60.65 60.17 2wsf s ILE 312 Cb 0.02 -3.91 0.00 0.00 0.13 0.00 0.00 42.46 38.70 2wsf s ILE 312 CO 0.55 0.07 0.00 0.00 -1.91 0.00 0.00 174.94 173.65 2wsf n ALA 313 N 5.42 0.00 1.13 1.50 0.00 -1.24 -3.79 120.51 123.53 2wsf n ALA 313 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2wsf n ALA 313 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2wsf n ALA 313 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wsf n GLY 314 N 0.00 -0.27 1.04 0.00 0.00 -0.44 -2.97 105.19 102.55 2wsf n GLY 314 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2wsf n GLY 314 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wsf n HIS 315 N -0.34 0.34 -2.29 1.61 -0.00 -1.26 -3.42 115.22 109.86 2wsf n HIS 315 Ca 0.00 -0.18 -0.41 0.00 -0.00 0.00 0.00 57.72 57.12 2wsf n HIS 315 Cb 0.04 -0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.99 2wsf n HIS 315 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2wsf s MET 316 N -1.55 4.42 0.00 -0.41 -1.94 -1.16 -4.93 119.30 113.73 2wsf s MET 316 Ca 0.34 1.96 0.00 0.00 -1.71 0.00 0.00 55.69 56.28 2wsf s MET 316 Cb 0.21 -3.24 0.00 0.00 2.01 0.00 0.00 34.83 33.81 2wsf s MET 316 CO 0.29 -0.23 0.00 0.98 -0.01 0.00 0.00 175.02 176.06 2wsf n TYR 317 N 2.94 0.00 0.00 -0.03 9.36 -1.26 -4.39 117.16 123.78 2wsf n TYR 317 Ca 0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.29 2wsf n TYR 317 Cb 0.44 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.15 2wsf n TYR 317 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 2wsf n ARG 318 N 0.00 0.00 0.00 2.98 0.63 -1.26 -5.13 116.66 113.88 2wsf n ARG 318 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2wsf n ARG 318 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2wsf n ARG 318 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 2wsf n ILE 327 N 0.00 0.00 0.00 5.15 -5.35 -1.26 -4.68 119.36 113.22 2wsf n ILE 327 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2wsf n ILE 327 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 2wsf n ILE 327 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2wsf n LYS 328 N -1.55 0.00 0.00 6.28 4.81 -1.26 -3.90 118.16 122.53 2wsf n LYS 328 Ca 0.00 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 2wsf n LYS 328 Cb 0.00 -0.90 0.00 0.00 0.02 0.00 0.00 35.03 34.15 2wsf n LYS 328 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2wsf n ASP 329 N -0.52 0.00 0.04 3.14 9.92 -1.26 -1.14 116.55 126.72 2wsf n ASP 329 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 2wsf n ASP 329 Cb 0.00 0.00 0.29 0.00 -0.64 0.00 0.00 41.12 40.77 2wsf n ASP 329 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2wsf h ILE 330 N 0.00 1.22 0.06 0.53 2.04 -2.03 -2.95 117.51 116.38 2wsf h ILE 330 Ca 0.00 -0.97 -0.34 0.00 1.00 0.00 0.00 64.86 64.54 2wsf h ILE 330 Cb 0.00 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 2wsf h ILE 330 CO 0.00 0.31 -1.97 -0.11 0.00 0.00 0.00 178.15 176.38 2wsf n LEU 331 N -4.21 1.78 -4.37 1.44 0.00 -0.29 -4.22 117.00 107.12 2wsf n LEU 331 Ca 0.00 0.23 -0.37 0.00 0.00 0.00 0.00 56.01 55.88 2wsf n LEU 331 Cb 0.31 -0.47 -0.03 0.00 0.00 0.00 0.00 43.42 43.23 2wsf n LEU 331 CO 0.40 0.66 1.87 1.21 0.00 0.00 0.00 177.39 181.52 2wsf n GLU 332 N -3.23 2.26 0.00 1.96 2.13 -1.12 -3.07 120.64 119.57 2wsf n GLU 332 Ca -0.28 -2.68 0.00 0.00 0.66 0.00 0.00 57.16 54.87 2wsf n GLU 332 Cb 1.05 -3.50 0.00 0.00 0.27 0.00 0.00 31.44 29.27 2wsf n GLU 332 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2wsf n ALA 333 N 10.59 0.00 -2.17 4.31 0.00 -1.24 -4.47 120.51 127.53 2wsf n ALA 333 Ca 0.48 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.51 2wsf n ALA 333 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 2wsf n ALA 333 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2wsf s HIS 334 N 0.09 1.91 0.13 0.00 -3.43 -1.26 -4.96 115.29 107.77 2wsf s HIS 334 Ca 0.00 0.61 0.00 0.00 -0.80 0.00 0.00 55.06 54.87 2wsf s HIS 334 Cb 0.00 -4.22 0.00 0.00 -1.43 0.00 0.00 32.58 26.93 2wsf s HIS 334 CO 0.00 -2.29 0.04 1.17 -2.00 0.00 0.00 174.74 171.65 2wsf n LYS 335 N 8.92 1.55 0.00 -0.38 4.81 -1.26 -4.77 118.16 127.03 2wsf n LYS 335 Ca 0.17 -0.88 0.00 0.00 -0.87 0.00 0.00 58.31 56.73 2wsf n LYS 335 Cb 0.50 0.19 0.00 0.00 0.02 0.00 0.00 35.03 35.74 2wsf n LYS 335 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wsf n GLY 336 N 3.46 2.89 0.00 3.14 0.00 -1.26 -4.94 105.19 108.48 2wsf n GLY 336 Ca -0.04 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2wsf n GLY 336 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wsf n PRO 337 N 0.00 0.00 0.25 1.61 -0.02 -1.26 -4.53 135.00 131.06 2wsf n PRO 337 Ca 0.00 0.00 0.17 0.00 -2.02 0.00 0.00 63.50 61.65 2wsf n PRO 337 Cb 0.00 -0.14 0.69 0.00 -0.02 0.00 0.00 33.50 34.03 2wsf n PRO 337 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2wsf h PHE 338 N 0.00 0.00 0.00 6.00 -0.00 -2.07 -3.45 116.94 117.42 2wsf h PHE 338 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2wsf h PHE 338 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 2wsf h PHE 338 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 178.31 180.72 2wsf n THR 339 N -2.91 0.00 -3.74 0.88 -1.04 -1.26 -4.89 114.28 101.32 2wsf n THR 339 Ca 0.01 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 2wsf n THR 339 Cb 0.27 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.69 2wsf n THR 339 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wsf n GLY 340 N 0.00 4.14 0.34 3.41 0.00 -1.26 -4.86 105.19 106.94 2wsf n GLY 340 Ca 0.00 -2.61 0.20 0.00 0.00 0.00 0.00 46.02 43.61 2wsf n GLY 340 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2wsf h GLN 341 N 5.61 0.02 0.00 1.61 5.75 -1.90 3.57 115.11 129.77 2wsf h GLN 341 Ca 0.16 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 2wsf h GLN 341 Cb 0.77 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.32 2wsf h GLN 341 CO 0.80 0.01 0.00 0.41 -2.65 0.00 0.00 178.83 177.40 2wsf n GLY 342 N -1.42 -1.40 0.37 2.39 0.00 -1.26 -2.43 105.19 101.44 2wsf n GLY 342 Ca 0.28 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 2wsf n GLY 342 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2wsf h HIS 343 N 0.00 -1.62 -1.39 1.61 6.17 0.64 -1.64 115.15 118.92 2wsf h HIS 343 Ca 0.00 0.11 -0.56 0.00 0.71 0.00 0.00 60.37 60.63 2wsf h HIS 343 Cb 0.48 0.81 -0.01 0.00 2.52 0.00 0.00 27.41 31.21 2wsf h HIS 343 CO 0.00 -0.33 1.55 1.63 0.71 0.00 0.00 177.93 181.49 2wsf n LYS 344 N -4.95 1.18 -0.03 5.26 5.02 -1.02 0.35 118.16 123.96 2wsf n LYS 344 Ca 0.01 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 2wsf n LYS 344 Cb 0.23 -2.92 0.00 0.00 -0.02 0.00 0.00 35.03 32.32 2wsf n LYS 344 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wsf n GLY 345 N 6.15 0.98 3.39 0.72 0.00 -1.20 -4.94 105.19 110.28 2wsf n GLY 345 Ca 0.39 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 46.03 2wsf n GLY 345 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wsf n LEU 346 N 0.00 0.75 -1.06 0.99 0.00 0.15 -3.92 117.00 113.92 2wsf n LEU 346 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 56.01 54.64 2wsf n LEU 346 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 43.42 42.94 2wsf n LEU 346 CO 0.00 -1.82 0.00 -1.22 0.00 0.00 0.00 177.39 174.35 2wsf n TYR 347 N 8.07 0.00 -0.08 1.96 4.01 -1.26 -4.72 117.16 125.14 2wsf n TYR 347 Ca 0.37 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.98 2wsf n TYR 347 Cb 0.34 -1.06 -0.08 0.00 -0.31 0.00 0.00 39.34 38.23 2wsf n TYR 347 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2wsf h GLU 348 N 0.00 -0.43 0.00 -0.72 5.08 -1.96 -2.39 114.58 114.17 2wsf h GLU 348 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2wsf h GLU 348 Cb 0.00 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2wsf h GLU 348 CO 0.00 -0.28 0.00 -0.89 -1.00 0.00 0.00 179.01 176.84 2wsf n ILE 349 N -5.41 0.00 -0.93 3.13 5.41 -1.26 -1.11 119.36 119.18 2wsf n ILE 349 Ca -0.03 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.65 2wsf n ILE 349 Cb 0.36 -0.32 0.29 0.00 -0.71 0.00 0.00 39.64 39.26 2wsf n ILE 349 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2wsf n LEU 350 N -0.09 5.97 0.00 1.39 4.77 -0.90 -3.22 117.00 124.93 2wsf n LEU 350 Ca 0.00 -3.11 0.00 0.00 -0.03 0.00 0.00 56.01 52.87 2wsf n LEU 350 Cb 0.00 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 2wsf n LEU 350 CO 0.00 0.79 0.35 0.35 -1.33 0.00 0.00 177.39 177.55 2wsf n THR 351 N -0.15 0.47 -2.90 -5.08 -2.24 -0.27 -4.90 114.28 99.22 2wsf n THR 351 Ca 0.40 -0.54 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 2wsf n THR 351 Cb 1.36 0.85 0.02 0.00 -2.10 0.00 0.00 70.33 70.46 2wsf n THR 351 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2wsf n THR 352 N -0.24 -0.20 0.00 4.28 -1.04 -1.20 -4.77 114.28 111.12 2wsf n THR 352 Ca 0.00 -2.45 0.00 0.00 -2.04 0.00 0.00 64.05 59.56 2wsf n THR 352 Cb 0.30 0.43 0.00 0.00 -1.82 0.00 0.00 70.33 69.24 2wsf n THR 352 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2wsf n SER 353 N 1.22 0.00 0.00 8.00 3.41 -1.24 -4.68 113.62 120.33 2wsf n SER 353 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2wsf n SER 353 Cb 0.62 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 2wsf n SER 353 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2wsf n TRP 354 N -1.50 0.00 -0.40 7.33 7.02 -1.26 -4.35 117.44 124.28 2wsf n TRP 354 Ca 0.00 0.00 0.33 0.00 -1.02 0.00 0.00 57.50 56.81 2wsf n TRP 354 Cb 0.00 0.00 0.56 0.00 -2.42 0.00 0.00 31.31 29.45 2wsf n TRP 354 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 2wsf n HIS 355 N 0.00 0.54 0.09 -5.99 8.25 -1.26 0.19 115.22 117.04 2wsf n HIS 355 Ca 0.00 0.54 -0.04 0.00 -0.26 0.00 0.00 57.72 57.96 2wsf n HIS 355 Cb 0.00 -0.95 -0.02 0.00 1.12 0.00 0.00 29.99 30.13 2wsf n HIS 355 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wsf h ALA 356 N 1.26 -0.45 0.00 -1.41 0.00 -1.77 -3.07 119.26 113.82 2wsf h ALA 356 Ca 0.72 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.57 2wsf h ALA 356 Cb 2.35 0.11 0.00 0.00 0.00 0.00 0.00 17.79 20.25 2wsf h ALA 356 CO -0.36 -0.43 0.00 0.94 0.00 0.00 0.00 179.25 179.40 2wsf n GLN 357 N -3.70 0.60 -0.07 0.00 0.00 0.27 -1.50 117.38 112.98 2wsf n GLN 357 Ca -0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 57.00 56.85 2wsf n GLN 357 Cb 0.11 -1.28 -0.06 0.00 0.00 0.00 0.00 30.24 29.01 2wsf n GLN 357 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 2wsf n LEU 358 N 0.16 2.12 0.12 1.69 -0.00 0.51 -4.72 117.00 116.87 2wsf n LEU 358 Ca 0.00 0.03 -0.13 0.00 -0.00 0.00 0.00 56.01 55.91 2wsf n LEU 358 Cb 0.14 -0.43 -0.08 0.00 -0.00 0.00 0.00 43.42 43.05 2wsf n LEU 358 CO 0.00 0.53 0.80 -1.28 -0.00 0.00 0.00 177.39 177.44 2wsf h SER 359 N -0.21 -0.19 -3.05 1.45 0.87 -1.16 -2.29 113.55 108.96 2wsf h SER 359 Ca -0.31 -0.02 -0.53 0.00 -1.23 0.00 0.00 61.79 59.70 2wsf h SER 359 Cb 1.39 0.05 0.01 0.00 -0.44 0.00 0.00 62.40 63.41 2wsf h SER 359 CO -0.12 -0.11 0.68 -0.51 -0.53 0.00 0.00 176.83 176.25 2wsf s ILE 360 N -6.04 3.60 0.00 2.23 1.10 -0.77 -2.78 121.20 118.54 2wsf s ILE 360 Ca -0.14 1.13 0.00 0.00 -0.51 0.00 0.00 60.65 61.13 2wsf s ILE 360 Cb 0.05 -3.73 0.00 0.00 0.15 0.00 0.00 42.46 38.94 2wsf s ILE 360 CO 0.65 0.08 0.00 -3.20 -2.11 0.00 0.00 174.94 170.35 2wsf n ASN 361 N 4.13 0.00 -0.27 4.50 4.05 -1.25 -4.59 115.26 121.83 2wsf n ASN 361 Ca 0.11 0.00 0.03 0.00 0.45 0.00 0.00 54.58 55.17 2wsf n ASN 361 Cb 0.44 0.00 0.17 0.00 1.23 0.00 0.00 39.78 41.61 2wsf n ASN 361 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 2wsf h LEU 362 N 0.00 0.54 -1.26 1.20 4.07 -1.23 3.40 115.31 122.03 2wsf h LEU 362 Ca 0.00 0.06 0.07 0.00 0.08 0.00 0.00 57.88 58.09 2wsf h LEU 362 Cb 0.00 -0.03 -0.05 0.00 1.08 0.00 0.00 40.66 41.66 2wsf h LEU 362 CO 0.00 0.29 0.53 0.00 -1.08 0.00 0.00 178.44 178.18 2wsf h ALA 363 N 1.47 1.61 0.00 1.53 0.00 -1.69 0.15 119.26 122.33 2wsf h ALA 363 Ca 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2wsf h ALA 363 Cb 0.43 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2wsf h ALA 363 CO -0.28 0.26 -0.20 0.52 0.00 0.00 0.00 179.25 179.55 2wsf h MET 364 N 0.89 0.00 -0.89 0.00 2.86 0.40 0.33 114.93 118.52 2wsf h MET 364 Ca 0.35 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 58.07 2wsf h MET 364 Cb 0.23 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.79 2wsf h MET 364 CO -0.13 0.00 -0.53 -0.11 1.06 0.00 0.00 176.91 177.21 2wsf n LEU 365 N -3.52 -0.95 0.03 1.22 7.94 1.06 0.37 117.00 123.14 2wsf n LEU 365 Ca -0.03 1.66 -0.08 0.00 -1.11 0.00 0.00 56.01 56.45 2wsf n LEU 365 Cb 0.11 -0.24 -0.05 0.00 0.53 0.00 0.00 43.42 43.77 2wsf n LEU 365 CO 0.04 -1.33 0.50 1.23 -1.11 0.00 0.00 177.39 176.73 2wsf h GLY 366 N 0.00 -1.27 2.00 -3.96 0.00 -0.80 -0.30 103.07 98.74 2wsf h GLY 366 Ca 0.14 0.63 0.00 0.00 0.00 0.00 0.00 47.33 48.10 2wsf h GLY 366 CO -0.84 -0.39 0.00 -1.26 0.00 0.00 0.00 176.54 174.05 2wsf n SER 367 N -3.90 0.39 -1.16 0.19 2.88 0.11 -0.53 113.62 111.59 2wsf n SER 367 Ca -0.04 0.65 0.12 0.00 -1.33 0.00 0.00 58.87 58.27 2wsf n SER 367 Cb 0.19 -0.71 0.22 0.00 -0.75 0.00 0.00 64.21 63.15 2wsf n SER 367 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2wsf n LEU 368 N -1.99 3.49 -0.11 2.46 0.00 1.15 -3.97 117.00 118.05 2wsf n LEU 368 Ca 0.00 -1.51 -0.22 0.00 0.00 0.00 0.00 56.01 54.28 2wsf n LEU 368 Cb 0.09 -0.25 -0.11 0.00 0.00 0.00 0.00 43.42 43.15 2wsf n LEU 368 CO 0.11 0.75 -0.65 0.35 0.00 0.00 0.00 177.39 177.95 2wsf n THR 369 N 1.51 1.53 0.82 1.96 -2.24 0.32 -4.37 114.28 113.80 2wsf n THR 369 Ca 0.19 -0.06 0.09 0.00 -2.27 0.00 0.00 64.05 62.00 2wsf n THR 369 Cb 0.61 -2.04 0.45 0.00 -2.10 0.00 0.00 70.33 67.25 2wsf n THR 369 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2wsf n ILE 370 N -4.42 0.51 0.21 2.28 -6.64 -1.18 0.09 119.36 110.21 2wsf n ILE 370 Ca -0.34 0.13 0.08 0.00 -1.77 0.00 0.00 62.75 60.85 2wsf n ILE 370 Cb 0.68 -0.82 0.43 0.00 -1.44 0.00 0.00 39.64 38.49 2wsf n ILE 370 CO 0.00 0.00 0.00 -0.37 -1.77 0.00 0.00 176.55 174.41 2wsf h VAL 371 N 0.00 0.70 0.49 7.28 -1.51 -1.77 -2.74 116.25 118.70 2wsf h VAL 371 Ca 0.00 -1.24 -0.01 0.00 -1.23 0.00 0.00 66.70 64.22 2wsf h VAL 371 Cb 0.21 1.80 -0.02 0.00 -2.13 0.00 0.00 31.29 31.15 2wsf h VAL 371 CO 0.00 0.27 -0.42 0.58 -1.23 0.00 0.00 177.57 176.77 2wsf h VAL 372 N 0.00 0.15 -0.64 7.19 2.07 -0.55 -3.15 116.25 121.33 2wsf h VAL 372 Ca -0.00 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.70 2wsf h VAL 372 Cb 0.77 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2wsf h VAL 372 CO 0.04 0.00 1.11 0.00 0.02 0.00 0.00 177.57 178.74 2wsf h ALA 373 N -0.61 2.59 0.00 1.67 0.00 -1.45 -1.10 119.26 120.35 2wsf h ALA 373 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wsf h ALA 373 Cb 0.78 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2wsf h ALA 373 CO -0.03 -1.44 -0.77 1.04 0.00 0.00 0.00 179.25 178.05 2wsf n GLN 374 N -2.98 0.48 0.04 0.00 3.00 -1.20 -4.23 117.38 112.48 2wsf n GLN 374 Ca 0.14 0.32 0.02 0.00 -0.01 0.00 0.00 57.00 57.47 2wsf n GLN 374 Cb 1.31 -1.49 0.08 0.00 0.00 0.00 0.00 30.24 30.14 2wsf n GLN 374 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2wsf n HIS 375 N -4.42 0.10 -0.05 1.08 8.25 -0.48 -0.57 115.22 119.13 2wsf n HIS 375 Ca -0.11 0.05 -0.02 0.00 -0.26 0.00 0.00 57.72 57.38 2wsf n HIS 375 Cb 0.40 -0.36 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 2wsf n HIS 375 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 2wsf h MET 376 N 0.00 -0.02 0.00 -0.41 -1.53 -1.59 -2.90 114.93 108.48 2wsf h MET 376 Ca 0.00 0.00 -0.05 0.00 -3.44 0.00 0.00 59.70 56.21 2wsf h MET 376 Cb 0.51 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.56 2wsf h MET 376 CO 0.00 0.13 -0.23 0.10 0.14 0.00 0.00 176.91 177.05 2wsf h TYR 377 N -1.00 0.00 -0.29 1.39 -0.00 -1.01 -1.52 116.97 114.54 2wsf h TYR 377 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2wsf h TYR 377 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.88 2wsf h TYR 377 CO 0.04 0.23 0.00 0.45 -0.00 0.00 0.00 178.16 178.88 2wsf n SER 378 N -3.27 2.93 -2.74 0.10 2.88 -0.89 -4.69 113.62 107.93 2wsf n SER 378 Ca 0.01 -1.86 -0.07 0.00 -1.33 0.00 0.00 58.87 55.62 2wsf n SER 378 Cb 0.51 -0.19 0.05 0.00 -0.75 0.00 0.00 64.21 63.82 2wsf n SER 378 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2wsf n MET 379 N 0.98 0.66 -1.65 -1.46 2.81 -1.07 -4.21 117.12 113.19 2wsf n MET 379 Ca 0.14 -1.65 -0.46 0.00 -1.81 0.00 0.00 57.70 53.92 2wsf n MET 379 Cb 0.47 -1.31 -0.03 0.00 -0.71 0.00 0.00 33.22 31.63 2wsf n MET 379 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2wsf n PRO 380 N 1.85 1.83 0.00 0.03 -0.02 -0.60 -4.42 135.00 133.67 2wsf n PRO 380 Ca 0.10 0.65 0.11 0.00 -2.02 0.00 0.00 63.50 62.34 2wsf n PRO 380 Cb 0.63 -2.30 0.03 0.00 -0.02 0.00 0.00 33.50 31.84 2wsf n PRO 380 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2wsf n PRO 381 N 2.23 1.59 -4.61 0.52 -0.04 -1.26 -3.74 135.00 129.69 2wsf n PRO 381 Ca 0.13 -1.25 -0.30 0.00 -0.04 0.00 0.00 63.50 62.04 2wsf n PRO 381 Cb 0.29 -1.43 -0.13 0.00 -0.04 0.00 0.00 33.50 32.19 2wsf n PRO 381 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2wsf s TYR 382 N -2.18 2.50 0.31 0.54 2.02 -1.24 -4.96 117.35 114.34 2wsf s TYR 382 Ca 0.20 -0.29 -0.29 0.00 -0.37 0.00 0.00 57.07 56.32 2wsf s TYR 382 Cb 0.17 -1.41 -0.12 0.00 -0.40 0.00 0.00 41.96 40.20 2wsf s TYR 382 CO 0.45 0.27 1.44 -2.30 -1.57 0.00 0.00 175.55 173.83 2wsf n PRO 383 N 1.39 2.37 -3.12 -1.71 -0.02 -1.26 -3.85 135.00 128.80 2wsf n PRO 383 Ca -0.16 0.84 -0.04 0.00 -2.02 0.00 0.00 63.50 62.12 2wsf n PRO 383 Cb 0.52 -2.52 0.01 0.00 -0.02 0.00 0.00 33.50 31.50 2wsf n PRO 383 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2wsf n TYR 384 N 1.18 -2.86 -3.82 6.00 4.02 -1.26 -4.86 117.16 115.55 2wsf n TYR 384 Ca 0.07 1.08 -0.13 0.00 -0.01 0.00 0.00 57.90 58.90 2wsf n TYR 384 Cb 0.36 -4.07 -0.15 0.00 -0.02 0.00 0.00 39.34 35.45 2wsf n TYR 384 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2wsf s LEU 385 N -4.28 1.53 0.00 7.72 1.43 -1.25 -4.57 118.68 119.26 2wsf s LEU 385 Ca 0.08 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 2wsf s LEU 385 Cb -0.01 -0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.18 2wsf s LEU 385 CO 0.75 -0.07 0.00 0.00 0.23 0.00 0.00 176.35 177.27 2wsf n ALA 386 N 3.63 0.00 -0.37 4.21 0.00 -1.26 -4.61 120.51 122.11 2wsf n ALA 386 Ca -0.20 0.00 0.38 0.00 0.00 0.00 0.00 53.44 53.62 2wsf n ALA 386 Cb 0.55 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.76 2wsf n ALA 386 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2wsf h THR 387 N 0.00 0.33 -0.18 0.00 1.35 -1.88 0.33 112.91 112.87 2wsf h THR 387 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2wsf h THR 387 Cb 0.00 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 66.76 2wsf h THR 387 CO 0.00 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.60 2wsf n ASP 388 N -4.10 2.02 0.00 5.36 4.64 -1.26 -4.89 116.55 118.32 2wsf n ASP 388 Ca 0.28 -1.75 0.00 0.00 -1.38 0.00 0.00 54.79 51.94 2wsf n ASP 388 Cb 1.36 -0.11 0.00 0.00 -1.04 0.00 0.00 41.12 41.33 2wsf n ASP 388 CO 0.00 0.00 0.00 -1.22 -0.82 0.00 0.00 177.20 175.16 2wsf n TYR 389 N 0.56 0.00 0.28 -0.67 4.01 0.12 0.51 117.16 121.97 2wsf n TYR 389 Ca 0.17 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 58.08 2wsf n TYR 389 Cb 0.39 0.00 0.81 0.00 -0.31 0.00 0.00 39.34 40.24 2wsf n TYR 389 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wsf h ALA 390 N 0.00 1.09 -0.51 -0.72 0.00 -1.87 -2.59 119.26 114.66 2wsf h ALA 390 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2wsf h ALA 390 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2wsf h ALA 390 CO 0.00 0.07 0.00 2.41 0.00 0.00 0.00 179.25 181.73 2wsf n THR 391 N -3.28 1.70 -2.79 0.00 -1.04 0.18 -3.89 114.28 105.16 2wsf n THR 391 Ca -0.01 -1.00 -0.10 0.00 -2.04 0.00 0.00 64.05 60.90 2wsf n THR 391 Cb 0.24 -0.06 0.08 0.00 -1.82 0.00 0.00 70.33 68.76 2wsf n THR 391 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2wsf n GLN 392 N 0.77 1.06 0.00 -2.82 0.00 -0.98 -4.33 117.38 111.08 2wsf n GLN 392 Ca 0.21 -2.19 0.00 0.00 -0.00 0.00 0.00 57.00 55.02 2wsf n GLN 392 Cb 0.83 -0.93 0.00 0.00 0.00 0.00 0.00 30.24 30.13 2wsf n GLN 392 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 2wsf n LEU 393 N 0.12 0.00 -0.15 1.69 -0.00 -1.23 -4.43 117.00 113.00 2wsf n LEU 393 Ca 0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 56.04 2wsf n LEU 393 Cb 0.73 0.10 -0.04 0.00 -0.00 0.00 0.00 43.42 44.21 2wsf n LEU 393 CO 0.05 -0.21 0.24 -1.54 -0.00 0.00 0.00 177.39 175.94 2wsf n SER 394 N -1.91 -0.38 -0.03 1.45 3.41 -1.25 0.38 113.62 115.29 2wsf n SER 394 Ca 0.00 0.78 -0.03 0.00 -0.26 0.00 0.00 58.87 59.36 2wsf n SER 394 Cb 0.00 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 63.78 2wsf n SER 394 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2wsf h LEU 395 N 0.00 -0.38 0.00 1.04 -0.00 -1.83 0.55 115.31 114.69 2wsf h LEU 395 Ca 0.06 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 2wsf h LEU 395 Cb 0.15 0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.96 2wsf h LEU 395 CO -0.34 -0.08 0.00 0.33 -0.00 0.00 0.00 178.44 178.35 2wsf n PHE 396 N -3.24 0.00 -0.02 1.13 7.35 -0.49 0.33 117.46 122.52 2wsf n PHE 396 Ca -0.01 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.66 2wsf n PHE 396 Cb 0.07 -0.06 -0.04 0.00 0.35 0.00 0.00 39.48 39.79 2wsf n PHE 396 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 2wsf n THR 397 N -1.06 0.33 0.09 -2.13 -2.24 0.16 -4.50 114.28 104.94 2wsf n THR 397 Ca 0.00 -0.22 -0.04 0.00 -2.27 0.00 0.00 64.05 61.53 2wsf n THR 397 Cb 0.00 -0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 67.49 2wsf n THR 397 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2wsf h HIS 398 N 0.00 -0.22 -2.11 4.78 -0.00 0.20 -2.77 115.15 115.03 2wsf h HIS 398 Ca -0.13 -0.01 -0.54 0.00 -0.00 0.00 0.00 60.37 59.69 2wsf h HIS 398 Cb 1.22 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.69 2wsf h HIS 398 CO 0.00 -0.14 1.44 -1.01 -0.00 0.00 0.00 177.93 178.22 2wsf s HIS 399 N -3.13 1.40 0.00 5.26 4.02 0.15 -1.65 115.29 121.35 2wsf s HIS 399 Ca -0.04 0.83 0.00 0.00 1.02 0.00 0.00 55.06 56.88 2wsf s HIS 399 Cb 0.00 -3.93 0.00 0.00 -1.02 0.00 0.00 32.58 27.63 2wsf s HIS 399 CO 0.11 -3.15 0.00 -0.12 1.02 0.00 0.00 174.74 172.60 2wsf n MET 400 N 8.78 0.00 0.17 1.40 1.56 -1.25 -4.12 117.12 123.66 2wsf n MET 400 Ca 0.28 0.00 0.12 0.00 -0.27 0.00 0.00 57.70 57.83 2wsf n MET 400 Cb 0.49 0.00 0.10 0.00 2.15 0.00 0.00 33.22 35.95 2wsf n MET 400 CO 0.00 0.00 0.00 -1.49 -0.73 0.00 0.00 175.97 173.75 2wsf h TRP 401 N 0.00 0.00 0.18 1.12 -0.00 -1.01 -3.34 115.95 112.90 2wsf h TRP 401 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.89 58.58 2wsf h TRP 401 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.17 2wsf h TRP 401 CO 0.00 0.00 -1.49 0.82 -0.00 0.00 0.00 178.44 177.77 2wsf h ILE 402 N 0.00 1.10 0.00 1.49 1.08 -1.86 0.49 117.51 119.81 2wsf h ILE 402 Ca 0.00 -2.52 0.00 0.00 -0.39 0.00 0.00 64.86 61.95 2wsf h ILE 402 Cb 1.00 2.86 0.00 0.00 -3.07 0.00 0.00 36.82 37.61 2wsf h ILE 402 CO 0.00 0.79 0.00 0.61 -0.69 0.00 0.00 178.15 178.86 2wsf n GLY 403 N 1.78 1.51 2.10 5.37 0.00 -1.25 -1.36 105.19 113.34 2wsf n GLY 403 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2wsf n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wsf n GLY 404 N 1.00 -1.16 0.06 -0.02 0.00 -1.25 -4.63 105.19 99.19 2wsf n GLY 404 Ca 0.00 0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.28 2wsf n GLY 404 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wsf n PHE 405 N -2.94 0.32 0.74 1.61 3.01 0.17 -1.73 117.46 118.64 2wsf n PHE 405 Ca 0.00 0.14 0.08 0.00 1.01 0.00 0.00 57.45 58.68 2wsf n PHE 405 Cb 0.00 -0.73 -0.03 0.00 -0.01 0.00 0.00 39.48 38.71 2wsf n PHE 405 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 2wsf n LEU 406 N -1.81 1.38 -0.11 4.37 7.94 -0.47 -4.28 117.00 124.03 2wsf n LEU 406 Ca 0.01 -0.68 -0.25 0.00 -1.11 0.00 0.00 56.01 53.98 2wsf n LEU 406 Cb 0.11 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 43.95 2wsf n LEU 406 CO 0.10 0.28 -1.04 -0.38 -1.11 0.00 0.00 177.39 175.24 2wsf n ILE 407 N -0.50 1.56 -0.24 1.96 2.08 -0.71 -2.21 119.36 121.30 2wsf n ILE 407 Ca 0.06 -0.31 -0.01 0.00 0.56 0.00 0.00 62.75 63.05 2wsf n ILE 407 Cb 0.32 -1.87 0.11 0.00 -0.75 0.00 0.00 39.64 37.45 2wsf n ILE 407 CO 0.00 0.00 0.00 -0.37 0.56 0.00 0.00 176.55 176.74 2wsf h VAL 408 N -0.76 0.96 -0.32 1.39 -1.51 -1.75 0.51 116.25 114.77 2wsf h VAL 408 Ca -0.53 -0.25 0.07 0.00 -1.23 0.00 0.00 66.70 64.76 2wsf h VAL 408 Cb 1.59 0.18 -0.08 0.00 -2.13 0.00 0.00 31.29 30.85 2wsf h VAL 408 CO -0.25 0.13 -0.25 1.23 -1.23 0.00 0.00 177.57 177.20 2wsf h GLY 409 N 0.71 -0.12 1.11 5.19 0.00 -1.75 0.16 103.07 108.38 2wsf h GLY 409 Ca 0.32 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.96 2wsf h GLY 409 CO -0.19 -0.20 0.10 0.00 0.00 0.00 0.00 176.54 176.24 2wsf n ALA 410 N -2.88 0.82 -0.10 3.60 0.00 0.11 0.15 120.51 122.21 2wsf n ALA 410 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 2wsf n ALA 410 Cb 0.30 -0.68 -0.07 0.00 0.00 0.00 0.00 19.45 19.00 2wsf n ALA 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wsf n ALA 411 N -1.15 1.56 -0.37 0.00 0.00 0.35 -4.34 120.51 116.56 2wsf n ALA 411 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 53.44 52.52 2wsf n ALA 411 Cb 0.10 0.19 -0.09 0.00 0.00 0.00 0.00 19.45 19.65 2wsf n ALA 411 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wsf n ALA 412 N -4.02 -0.57 0.29 0.00 0.00 0.12 -0.40 120.51 115.94 2wsf n ALA 412 Ca -0.37 0.75 0.18 0.00 0.00 0.00 0.00 53.44 54.00 2wsf n ALA 412 Cb 0.73 -0.12 0.88 0.00 0.00 0.00 0.00 19.45 20.94 2wsf n ALA 412 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wsf h HIS 413 N 0.00 0.00 -0.27 0.00 3.86 -1.44 0.14 115.15 117.45 2wsf h HIS 413 Ca 0.14 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.17 2wsf h HIS 413 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 2wsf h HIS 413 CO -0.93 0.04 -0.57 0.00 0.86 0.00 0.00 177.93 177.33 2wsf h ALA 414 N 1.96 0.48 -0.77 2.45 0.00 -0.89 -0.40 119.26 122.10 2wsf h ALA 414 Ca -0.00 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.40 2wsf h ALA 414 Cb 0.30 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2wsf h ALA 414 CO 0.00 0.68 0.51 0.00 0.00 0.00 0.00 179.25 180.45 2wsf h ALA 415 N 0.71 0.98 -0.47 0.00 0.00 0.52 1.28 119.26 122.28 2wsf h ALA 415 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wsf h ALA 415 Cb 1.17 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2wsf h ALA 415 CO 0.12 0.38 0.31 0.82 0.00 0.00 0.00 179.25 180.88 2wsf h ILE 416 N 1.04 1.13 0.04 0.00 2.04 -0.74 -0.17 117.51 120.84 2wsf h ILE 416 Ca 0.29 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 2wsf h ILE 416 Cb -0.10 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2wsf h ILE 416 CO -0.07 0.12 -0.02 0.15 0.00 0.00 0.00 178.15 178.34 2wsf h PHE 417 N 0.64 -0.05 -1.00 1.37 3.04 0.47 -2.66 116.94 118.75 2wsf h PHE 417 Ca 0.17 -0.00 0.41 0.00 3.98 0.00 0.00 57.97 62.53 2wsf h PHE 417 Cb -0.06 0.02 -0.18 0.00 2.56 0.00 0.00 35.95 38.29 2wsf h PHE 417 CO 0.00 -0.03 0.55 1.98 -2.02 0.00 0.00 178.31 178.79 2wsf h MET 418 N -0.07 0.03 0.00 1.11 4.05 0.19 0.69 114.93 120.93 2wsf h MET 418 Ca -0.01 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2wsf h MET 418 Cb 0.04 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.84 2wsf h MET 418 CO 0.01 0.02 0.00 0.28 0.23 0.00 0.00 176.91 177.45 2wsf n VAL 419 N -5.24 0.00 -3.82 -5.77 0.31 -0.10 -4.81 118.33 98.91 2wsf n VAL 419 Ca 0.37 0.98 -0.12 0.00 -0.01 0.00 0.00 64.34 65.56 2wsf n VAL 419 Cb 1.27 -1.96 -0.10 0.00 -0.91 0.00 0.00 33.84 32.13 2wsf n VAL 419 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2wsf s ARG 420 N -1.94 0.46 0.07 5.55 3.00 0.24 -5.03 118.95 121.29 2wsf s ARG 420 Ca 0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 55.73 54.61 2wsf s ARG 420 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 34.95 35.15 2wsf s ARG 420 CO 0.00 -0.11 0.00 -0.40 0.00 0.00 0.00 175.30 174.79 2wsf n ASP 421 N 1.88 -0.61 -4.24 -2.12 5.75 -1.26 -4.21 116.55 111.74 2wsf n ASP 421 Ca -0.19 0.30 -0.34 0.00 -0.01 0.00 0.00 54.79 54.55 2wsf n ASP 421 Cb 0.57 0.81 0.12 0.00 -1.03 0.00 0.00 41.12 41.58 2wsf n ASP 421 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wsf n TYR 422 N -2.43 -1.98 0.00 2.11 0.18 -1.26 -5.02 117.16 108.76 2wsf n TYR 422 Ca 0.00 0.22 0.00 0.00 1.88 0.00 0.00 57.90 60.00 2wsf n TYR 422 Cb 0.00 -1.59 0.00 0.00 -0.38 0.00 0.00 39.34 37.37 2wsf n TYR 422 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 2wsf n ASP 423 N -0.07 0.00 0.00 9.48 -0.08 -1.26 -5.02 116.55 119.60 2wsf n ASP 423 Ca 0.02 0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 2wsf n ASP 423 Cb 0.60 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.06 2wsf n ASP 423 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2wsf n PRO 424 N -0.22 0.56 -0.21 -0.67 -0.04 -1.26 -5.01 135.00 128.14 2wsf n PRO 424 Ca 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 2wsf n PRO 424 Cb 0.00 0.00 0.16 0.00 -0.04 0.00 0.00 33.50 33.62 2wsf n PRO 424 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2wsf n THR 425 N 0.00 1.25 -1.71 0.52 -2.24 -1.26 -4.96 114.28 105.87 2wsf n THR 425 Ca 0.00 -1.17 -0.18 0.00 -2.27 0.00 0.00 64.05 60.43 2wsf n THR 425 Cb 0.00 0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 68.50 2wsf n THR 425 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wsf s THR 426 N -1.36 3.15 0.00 4.28 -4.23 -1.26 -3.79 115.64 112.43 2wsf s THR 426 Ca 0.25 -0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 2wsf s THR 426 Cb 0.16 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 70.22 2wsf s THR 426 CO 0.13 -0.29 0.00 -2.11 -0.54 0.00 0.00 174.62 171.82 2wsf n ARG 427 N 8.47 0.00 -0.23 3.99 1.85 -1.26 -4.89 116.66 124.59 2wsf n ARG 427 Ca 0.43 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 57.15 2wsf n ARG 427 Cb 0.46 0.00 0.13 0.00 -1.05 0.00 0.00 32.46 32.00 2wsf n ARG 427 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2wsf n TYR 428 N 0.00 -2.47 -0.48 2.89 4.01 -1.25 -4.62 117.16 115.24 2wsf n TYR 428 Ca 0.00 -0.25 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 2wsf n TYR 428 Cb 0.06 -0.80 0.00 0.00 -0.31 0.00 0.00 39.34 38.28 2wsf n TYR 428 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2wsf n ASN 429 N -2.91 0.00 -0.45 7.72 4.13 -1.26 -4.85 115.26 117.64 2wsf n ASN 429 Ca 0.06 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.32 2wsf n ASN 429 Cb 0.27 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.51 2wsf n ASN 429 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2wsf n ASP 430 N 0.25 0.00 -0.12 6.41 5.75 -1.26 -4.42 116.55 123.15 2wsf n ASP 430 Ca 0.00 -0.45 0.18 0.00 -0.01 0.00 0.00 54.79 54.51 2wsf n ASP 430 Cb 0.00 0.00 0.28 0.00 -1.03 0.00 0.00 41.12 40.37 2wsf n ASP 430 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2wsf n LEU 431 N 0.00 0.00 0.00 -2.12 4.77 -1.26 0.15 117.00 118.54 2wsf n LEU 431 Ca 0.00 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 2wsf n LEU 431 Cb 0.00 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2wsf n LEU 431 CO 0.00 -0.53 0.00 -0.11 -1.33 0.00 0.00 177.39 175.42 2wsf n LEU 432 N -2.63 0.00 -0.25 2.23 7.94 -1.26 -1.58 117.00 121.45 2wsf n LEU 432 Ca 0.15 0.00 0.20 0.00 -1.11 0.00 0.00 56.01 55.26 2wsf n LEU 432 Cb 1.07 -0.40 0.33 0.00 0.53 0.00 0.00 43.42 44.95 2wsf n LEU 432 CO 0.15 -0.49 0.59 0.47 -1.11 0.00 0.00 177.39 177.01 2wsf n ASP 433 N -2.47 0.05 0.03 1.96 8.00 -1.08 0.14 116.55 123.17 2wsf n ASP 433 Ca 0.00 0.54 -0.01 0.00 0.71 0.00 0.00 54.79 56.03 2wsf n ASP 433 Cb 0.00 -0.27 -0.01 0.00 -0.02 0.00 0.00 41.12 40.83 2wsf n ASP 433 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2wsf h ARG 434 N 0.00 -0.07 -0.52 -1.24 3.08 0.12 -2.85 114.38 112.90 2wsf h ARG 434 Ca 0.40 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.55 2wsf h ARG 434 Cb 1.44 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 31.40 2wsf h ARG 434 CO -0.12 -0.05 -0.33 -0.39 -1.07 0.00 0.00 179.97 178.01 2wsf h VAL 435 N -0.14 0.19 -0.90 2.04 -1.51 0.22 0.59 116.25 116.74 2wsf h VAL 435 Ca -0.01 0.00 0.24 0.00 -1.23 0.00 0.00 66.70 65.70 2wsf h VAL 435 Cb 0.06 0.19 -0.13 0.00 -2.13 0.00 0.00 31.29 29.27 2wsf h VAL 435 CO 0.01 0.00 0.34 -0.07 -1.23 0.00 0.00 177.57 176.63 2wsf h LEU 436 N -0.19 0.21 -0.86 4.19 4.07 -0.54 -1.94 115.31 120.25 2wsf h LEU 436 Ca 0.21 0.18 0.11 0.00 0.08 0.00 0.00 57.88 58.45 2wsf h LEU 436 Cb 0.55 0.19 -0.13 0.00 1.08 0.00 0.00 40.66 42.35 2wsf h LEU 436 CO -0.63 -0.08 -0.48 0.03 -1.08 0.00 0.00 178.44 176.20 2wsf h ARG 437 N 0.31 -0.07 -6.44 1.13 3.08 0.45 -3.13 114.38 109.71 2wsf h ARG 437 Ca 0.57 0.01 -0.54 0.00 0.07 0.00 0.00 59.98 60.09 2wsf h ARG 437 Cb 1.14 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 2wsf h ARG 437 CO -0.59 -0.05 0.04 -3.38 -1.07 0.00 0.00 179.97 174.92 2wsf s HIS 438 N -5.75 3.70 0.00 3.04 -3.43 -0.73 -4.83 115.29 107.30 2wsf s HIS 438 Ca -0.13 1.32 0.00 0.00 -0.80 0.00 0.00 55.06 55.45 2wsf s HIS 438 Cb 0.15 -2.55 0.00 0.00 -1.43 0.00 0.00 32.58 28.74 2wsf s HIS 438 CO 0.66 0.43 0.00 -2.13 -2.00 0.00 0.00 174.74 171.70 2wsf n ARG 439 N 1.05 0.00 -0.47 -0.38 0.63 -1.18 -4.65 116.66 111.66 2wsf n ARG 439 Ca -0.05 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.84 2wsf n ARG 439 Cb 0.51 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.43 2wsf n ARG 439 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2wsf n ASP 440 N -0.64 4.81 0.15 6.15 8.00 -1.26 -3.97 116.55 129.80 2wsf n ASP 440 Ca 0.00 -2.48 0.00 0.00 0.71 0.00 0.00 54.79 53.02 2wsf n ASP 440 Cb 0.00 -0.92 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 2wsf n ASP 440 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wsf n ALA 441 N 0.86 1.50 -0.04 2.24 0.00 -1.26 -4.34 120.51 119.46 2wsf n ALA 441 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.65 2wsf n ALA 441 Cb 0.57 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.55 2wsf n ALA 441 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2wsf h ILE 442 N 0.00 0.90 0.00 0.00 2.04 -1.86 -1.59 117.51 117.00 2wsf h ILE 442 Ca 0.00 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2wsf h ILE 442 Cb 0.00 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2wsf h ILE 442 CO 0.00 0.06 -0.97 -0.38 0.00 0.00 0.00 178.15 176.87 2wsf n ILE 443 N -4.47 0.04 0.09 -0.67 -0.00 -1.25 -4.07 119.36 109.02 2wsf n ILE 443 Ca 0.08 -0.09 -0.13 0.00 -0.00 0.00 0.00 62.75 62.62 2wsf n ILE 443 Cb 0.36 0.60 -0.08 0.00 -0.00 0.00 0.00 39.64 40.51 2wsf n ILE 443 CO 0.00 0.00 0.00 -1.28 -0.00 0.00 0.00 176.55 175.27 2wsf h SER 444 N 0.00 -0.21 -4.15 4.38 0.87 -1.52 -3.31 113.55 109.60 2wsf h SER 444 Ca 0.00 -0.29 -0.50 0.00 -1.23 0.00 0.00 61.79 59.77 2wsf h SER 444 Cb 0.58 0.06 0.15 0.00 -0.44 0.00 0.00 62.40 62.75 2wsf h SER 444 CO 0.00 0.21 0.26 -1.00 -0.53 0.00 0.00 176.83 175.77 2wsf s HIS 445 N -4.31 2.25 0.00 2.24 3.76 -0.69 -3.48 115.29 115.06 2wsf s HIS 445 Ca -0.14 1.46 0.00 0.00 -0.15 0.00 0.00 55.06 56.23 2wsf s HIS 445 Cb 0.02 -3.14 0.00 0.00 1.11 0.00 0.00 32.58 30.57 2wsf s HIS 445 CO 0.56 -2.31 0.00 -0.11 -0.85 0.00 0.00 174.74 172.03 2wsf n LEU 446 N -3.86 0.00 0.12 0.89 0.00 -1.26 -4.76 117.00 108.13 2wsf n LEU 446 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 56.01 56.04 2wsf n LEU 446 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.93 2wsf n LEU 446 CO 0.54 0.00 0.36 -1.13 0.00 0.00 0.00 177.39 177.16 2wsf h ASN 447 N 0.00 -0.27 -0.97 1.96 -1.24 -1.64 -2.69 115.58 110.72 2wsf h ASN 447 Ca 0.00 0.01 0.19 0.00 0.71 0.00 0.00 56.30 57.21 2wsf h ASN 447 Cb 0.00 0.07 -0.09 0.00 0.73 0.00 0.00 38.32 39.03 2wsf h ASN 447 CO 0.00 -0.14 0.61 -0.25 -1.29 0.00 0.00 177.43 176.36 2wsf h TRP 448 N -0.42 0.90 -0.87 0.67 7.01 -1.86 0.56 115.95 121.94 2wsf h TRP 448 Ca -0.03 0.03 0.22 0.00 2.11 0.00 0.00 58.89 61.21 2wsf h TRP 448 Cb 0.25 -0.27 -0.16 0.00 -2.10 0.00 0.00 29.16 26.87 2wsf h TRP 448 CO 0.11 0.23 0.01 0.28 -2.79 0.00 0.00 178.44 176.28 2wsf h VAL 449 N 0.67 0.19 -0.24 2.65 2.07 -1.89 -0.16 116.25 119.54 2wsf h VAL 449 Ca 0.54 -0.02 -0.14 0.00 0.82 0.00 0.00 66.70 67.89 2wsf h VAL 449 Cb 0.95 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2wsf h VAL 449 CO -0.30 0.01 -0.40 0.00 0.02 0.00 0.00 177.57 176.90 2wsf h ILE 451 N 0.42 0.22 0.53 0.00 -0.00 -1.27 -2.94 117.51 114.48 2wsf h ILE 451 Ca 0.02 -1.02 -0.03 0.00 -0.00 0.00 0.00 64.86 63.83 2wsf h ILE 451 Cb 1.00 1.85 0.01 0.00 -0.00 0.00 0.00 36.82 39.67 2wsf h ILE 451 CO 0.09 0.11 -0.26 0.15 -0.00 0.00 0.00 178.15 178.24 2wsf h PHE 452 N 0.00 -0.66 -2.73 0.16 3.04 -0.95 -3.22 116.94 112.58 2wsf h PHE 452 Ca -0.00 -0.02 -0.40 0.00 3.98 0.00 0.00 57.97 61.54 2wsf h PHE 452 Cb 0.84 0.22 0.21 0.00 2.56 0.00 0.00 35.95 39.78 2wsf h PHE 452 CO 0.00 -0.35 -0.35 1.28 -2.02 0.00 0.00 178.31 176.87 2wsf n LEU 453 N -5.27 -1.57 0.00 0.59 4.77 -0.44 -1.11 117.00 113.97 2wsf n LEU 453 Ca -0.10 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 2wsf n LEU 453 Cb 0.32 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 2wsf n LEU 453 CO 0.27 -3.61 0.00 0.61 -1.33 0.00 0.00 177.39 173.33 2wsf n GLY 454 N 1.68 1.30 0.14 -0.72 0.00 -1.19 -4.12 105.19 102.28 2wsf n GLY 454 Ca 0.05 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 2wsf n GLY 454 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2wsf h PHE 455 N 0.00 0.46 -0.01 1.61 0.05 -1.56 0.39 116.94 117.87 2wsf h PHE 455 Ca 0.00 -0.14 0.00 0.00 3.82 0.00 0.00 57.97 61.65 2wsf h PHE 455 Cb 0.00 -0.09 0.00 0.00 2.00 0.00 0.00 35.95 37.86 2wsf h PHE 455 CO 0.00 0.79 -0.10 0.72 -0.18 0.00 0.00 178.31 179.54 2wsf n HIS 456 N -4.52 0.00 -0.00 -0.55 8.25 -0.27 -3.84 115.22 114.29 2wsf n HIS 456 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2wsf n HIS 456 Cb 0.39 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.42 2wsf n HIS 456 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2wsf n SER 457 N -0.44 0.37 0.02 0.41 2.88 -1.13 -4.77 113.62 110.95 2wsf n SER 457 Ca 0.16 -0.68 0.00 0.00 -1.33 0.00 0.00 58.87 57.02 2wsf n SER 457 Cb 0.31 0.63 0.00 0.00 -0.75 0.00 0.00 64.21 64.40 2wsf n SER 457 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 2wsf n PHE 458 N -0.63 -0.93 0.21 0.66 7.35 0.13 -4.19 117.46 120.07 2wsf n PHE 458 Ca 0.00 0.09 0.10 0.00 -0.76 0.00 0.00 57.45 56.88 2wsf n PHE 458 Cb 0.00 0.62 0.53 0.00 0.35 0.00 0.00 39.48 40.97 2wsf n PHE 458 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 2wsf h GLY 459 N 0.00 0.00 0.30 7.13 0.00 -1.60 0.19 103.07 109.09 2wsf h GLY 459 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 2wsf h GLY 459 CO 0.00 0.00 -0.20 -2.00 0.00 0.00 0.00 176.54 174.34 2wsf h LEU 460 N 0.00 -0.62 0.29 3.11 5.85 -1.81 0.16 115.31 122.29 2wsf h LEU 460 Ca 0.00 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2wsf h LEU 460 Cb 0.54 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 2wsf h LEU 460 CO 0.00 -0.24 -0.20 1.88 -0.34 0.00 0.00 178.44 179.54 2wsf h TYR 461 N -0.22 -0.53 -0.89 1.25 0.05 -0.90 -3.16 116.97 112.57 2wsf h TYR 461 Ca 0.12 -0.00 0.23 0.00 0.05 0.00 0.00 58.73 59.13 2wsf h TYR 461 Cb 0.40 0.20 -0.05 0.00 1.01 0.00 0.00 36.73 38.28 2wsf h TYR 461 CO -0.33 -0.31 0.61 0.97 -1.05 0.00 0.00 178.16 178.05 2wsf h ILE 462 N -0.49 0.61 -0.18 -2.88 2.10 -1.27 0.32 117.51 115.72 2wsf h ILE 462 Ca -0.02 -0.07 0.03 0.00 1.08 0.00 0.00 64.86 65.87 2wsf h ILE 462 Cb 0.42 0.40 -0.04 0.00 -1.09 0.00 0.00 36.82 36.50 2wsf h ILE 462 CO 0.01 0.04 -0.33 -0.74 -1.08 0.00 0.00 178.15 176.04 2wsf h HIS 463 N 0.20 -1.00 -0.57 2.19 2.76 -0.93 -0.85 115.15 116.95 2wsf h HIS 463 Ca 0.45 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.72 2wsf h HIS 463 Cb 1.43 0.46 -0.08 0.00 1.55 0.00 0.00 27.41 30.77 2wsf h HIS 463 CO -0.00 -0.30 -0.43 -0.91 -1.30 0.00 0.00 177.93 174.98 2wsf h ASN 464 N -0.28 -1.53 -0.42 3.26 -0.26 -0.45 0.15 115.58 116.04 2wsf h ASN 464 Ca 0.03 0.22 0.05 0.00 -0.56 0.00 0.00 56.30 56.05 2wsf h ASN 464 Cb 0.37 0.66 -0.08 0.00 -1.06 0.00 0.00 38.32 38.21 2wsf h ASN 464 CO -0.32 -0.23 -0.54 0.44 -1.06 0.00 0.00 177.43 175.72 2wsf h ASP 465 N -0.12 -1.81 0.16 5.81 3.32 -1.48 2.61 116.42 124.91 2wsf h ASP 465 Ca 0.09 0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.39 2wsf h ASP 465 Cb 0.36 0.75 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2wsf h ASP 465 CO -0.60 -0.40 0.00 0.41 -1.72 0.00 0.00 179.24 176.93 2wsf n THR 466 N -5.38 1.48 -0.04 0.35 -1.04 0.35 0.83 114.28 110.81 2wsf n THR 466 Ca -0.03 0.49 0.00 0.00 -2.04 0.00 0.00 64.05 62.47 2wsf n THR 466 Cb 0.34 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.41 2wsf n THR 466 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 2wsf n MET 467 N -1.76 3.21 -0.04 -2.82 1.56 -0.02 -3.34 117.12 113.91 2wsf n MET 467 Ca 0.00 -0.02 0.03 0.00 -0.27 0.00 0.00 57.70 57.44 2wsf n MET 467 Cb 0.06 -0.30 -0.16 0.00 2.15 0.00 0.00 33.22 34.97 2wsf n MET 467 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2wsf n SER 468 N -0.47 0.06 0.04 6.12 2.88 0.86 -0.43 113.62 122.67 2wsf n SER 468 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 2wsf n SER 468 Cb 0.01 1.61 -0.13 0.00 -0.75 0.00 0.00 64.21 64.95 2wsf n SER 468 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wsf h ALA 469 N 1.60 0.47 -0.44 -1.46 0.00 0.30 -2.91 119.26 116.82 2wsf h ALA 469 Ca -0.21 -1.12 -0.14 0.00 0.00 0.00 0.00 54.91 53.45 2wsf h ALA 469 Cb 1.46 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 2wsf h ALA 469 CO 0.01 1.33 -0.25 -0.07 0.00 0.00 0.00 179.25 180.27 2wsf h LEU 470 N 0.01 0.99 -2.92 0.00 3.38 -1.65 -3.50 115.31 111.62 2wsf h LEU 470 Ca -0.14 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2wsf h LEU 470 Cb 1.89 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.37 2wsf h LEU 470 CO 0.12 1.19 -0.07 0.61 0.09 0.00 0.00 178.44 180.38 2wsf n GLY 471 N -0.04 -1.44 0.84 0.83 0.00 0.42 -5.00 105.19 100.81 2wsf n GLY 471 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2wsf n GLY 471 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wsf n ARG 472 N -0.31 0.00 0.00 1.61 5.12 -0.68 -4.95 116.66 117.46 2wsf n ARG 472 Ca 0.01 -1.12 0.00 0.00 -1.93 0.00 0.00 57.85 54.81 2wsf n ARG 472 Cb 0.03 -0.16 0.00 0.00 -1.16 0.00 0.00 32.46 31.17 2wsf n ARG 472 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 2wsf n PRO 473 N 0.14 0.00 -0.11 5.56 -0.02 -1.26 -3.26 135.00 136.05 2wsf n PRO 473 Ca -0.01 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.56 2wsf n PRO 473 Cb 0.80 0.00 0.17 0.00 -0.02 0.00 0.00 33.50 34.44 2wsf n PRO 473 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wsf n GLN 474 N -0.41 -0.01 -0.38 -0.52 6.02 -1.26 -2.28 117.38 118.53 2wsf n GLN 474 Ca 0.00 0.32 0.03 0.00 -0.01 0.00 0.00 57.00 57.34 2wsf n GLN 474 Cb 0.00 -0.63 0.04 0.00 1.02 0.00 0.00 30.24 30.67 2wsf n GLN 474 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2wsf n ASP 475 N -3.23 0.61 0.00 1.08 8.00 -1.20 -4.65 116.55 117.16 2wsf n ASP 475 Ca 0.10 -2.27 0.00 0.00 0.71 0.00 0.00 54.79 53.33 2wsf n ASP 475 Cb 0.38 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 2wsf n ASP 475 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2wsf n MET 476 N -0.37 0.00 0.00 -1.24 1.56 -0.97 -4.95 117.12 111.15 2wsf n MET 476 Ca 0.04 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.47 2wsf n MET 476 Cb 0.68 -0.02 0.00 0.00 2.15 0.00 0.00 33.22 36.03 2wsf n MET 476 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2wsf n PHE 477 N 0.00 0.00 -1.09 1.12 -0.00 -1.26 -4.83 117.46 111.40 2wsf n PHE 477 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 57.08 2wsf n PHE 477 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 39.48 39.52 2wsf n PHE 477 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2wsf n SER 478 N 0.00 -4.26 -0.11 -2.13 7.64 -1.26 -4.76 113.62 108.74 2wsf n SER 478 Ca 0.00 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.28 2wsf n SER 478 Cb 0.00 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 2wsf n SER 478 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2wsf n ASP 479 N 2.19 0.03 0.00 6.43 4.64 -1.26 -3.27 116.55 125.31 2wsf n ASP 479 Ca 0.04 -0.22 0.00 0.00 -1.38 0.00 0.00 54.79 53.22 2wsf n ASP 479 Cb 0.52 -0.01 0.00 0.00 -1.04 0.00 0.00 41.12 40.59 2wsf n ASP 479 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 2wsf n THR 480 N -0.28 0.00 -0.10 5.18 5.66 -1.26 -4.57 114.28 118.91 2wsf n THR 480 Ca 0.00 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.84 2wsf n THR 480 Cb 0.01 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 2wsf n THR 480 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wsf n ALA 481 N -0.02 0.75 -2.66 1.79 0.00 -1.20 -4.86 120.51 114.30 2wsf n ALA 481 Ca 0.00 -0.59 -0.41 0.00 0.00 0.00 0.00 53.44 52.44 2wsf n ALA 481 Cb 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 19.45 19.20 2wsf n ALA 481 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2wsf s ILE 482 N -2.40 4.93 -0.31 0.00 1.10 -1.25 -4.86 121.20 118.40 2wsf s ILE 482 Ca -0.26 1.70 -0.28 0.00 -0.51 0.00 0.00 60.65 61.30 2wsf s ILE 482 Cb 0.06 -4.16 -0.06 0.00 0.15 0.00 0.00 42.46 38.45 2wsf s ILE 482 CO 0.44 0.23 2.28 0.00 -2.11 0.00 0.00 174.94 175.78 2wsf n GLN 483 N 3.68 1.61 0.00 3.50 1.13 -1.26 -4.76 117.38 121.28 2wsf n GLN 483 Ca 0.01 0.36 0.00 0.00 -1.94 0.00 0.00 57.00 55.44 2wsf n GLN 483 Cb 0.51 -3.19 0.00 0.00 0.11 0.00 0.00 30.24 27.67 2wsf n GLN 483 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2wsf n LEU 484 N 12.59 0.00 -1.96 1.08 7.99 -1.26 -5.12 117.00 130.33 2wsf n LEU 484 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.34 2wsf n LEU 484 Cb 0.44 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.75 2wsf n LEU 484 CO 0.69 0.00 -0.46 0.00 -1.51 0.00 0.00 177.39 176.11 2wsf n GLN 485 N -1.11 -5.32 0.00 3.23 3.00 -1.26 -4.41 117.38 111.51 2wsf n GLN 485 Ca 0.00 3.80 0.00 0.00 -0.01 0.00 0.00 57.00 60.79 2wsf n GLN 485 Cb 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 30.24 26.15 2wsf n GLN 485 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 2wsf n PRO 486 N 1.50 0.00 -3.62 -1.09 -0.02 -1.26 -4.66 135.00 125.86 2wsf n PRO 486 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 2wsf n PRO 486 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.41 2wsf n PRO 486 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wsf s VAL 487 N 0.00 0.00 0.04 -1.45 0.11 -1.26 -5.08 120.40 112.77 2wsf s VAL 487 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2wsf s VAL 487 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 2wsf s VAL 487 CO 0.00 0.00 0.00 0.49 -3.33 0.00 0.00 175.10 172.26 2wsf n PHE 488 N 2.07 -0.03 0.00 1.54 3.72 -1.26 -4.94 117.46 118.56 2wsf n PHE 488 Ca -0.13 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 2wsf n PHE 488 Cb 0.56 0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 2wsf n PHE 488 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wsf n ALA 489 N -2.92 0.00 -1.93 4.37 0.00 -1.26 -4.50 120.51 114.27 2wsf n ALA 489 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 2wsf n ALA 489 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2wsf n ALA 489 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2wsf s GLN 490 N 0.00 2.35 0.00 0.00 2.00 -1.26 -4.03 119.66 118.72 2wsf s GLN 490 Ca 0.00 0.02 0.00 0.00 -2.00 0.00 0.00 55.36 53.38 2wsf s GLN 490 Cb 0.00 -4.92 0.00 0.00 0.80 0.00 0.00 33.01 28.89 2wsf s GLN 490 CO 0.00 -3.53 0.00 1.87 -0.50 0.00 0.00 175.29 173.13 2wsf n TRP 491 N 14.88 0.00 0.00 1.67 -0.00 -1.26 -5.07 117.44 127.66 2wsf n TRP 491 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.89 2wsf n TRP 491 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.78 2wsf n TRP 491 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 177.69 178.13 2wsf n ILE 492 N 0.00 0.00 -0.15 5.87 -6.64 -1.26 -4.70 119.36 112.48 2wsf n ILE 492 Ca 0.00 0.00 -0.07 0.00 -1.77 0.00 0.00 62.75 60.91 2wsf n ILE 492 Cb 0.00 -0.00 -0.02 0.00 -1.44 0.00 0.00 39.64 38.18 2wsf n ILE 492 CO 0.00 0.00 0.00 -0.61 -1.77 0.00 0.00 176.55 174.17 2wsf h GLN 493 N 0.00 -0.23 0.00 6.28 4.15 -1.98 -0.65 115.11 122.67 2wsf h GLN 493 Ca 0.00 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2wsf h GLN 493 Cb 0.00 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.74 2wsf h GLN 493 CO 0.00 -0.15 0.00 -1.71 -1.93 0.00 0.00 178.83 175.04 2wsf n ASN 494 N -5.42 0.00 -0.43 -0.69 5.15 -1.26 -0.01 115.26 112.60 2wsf n ASN 494 Ca 0.02 -0.19 0.08 0.00 -0.60 0.00 0.00 54.58 53.88 2wsf n ASN 494 Cb 0.35 -0.14 0.18 0.00 -0.53 0.00 0.00 39.78 39.64 2wsf n ASN 494 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2wsf n THR 495 N -1.14 2.09 -0.03 -0.44 -2.24 -0.36 -4.68 114.28 107.49 2wsf n THR 495 Ca 0.09 -2.41 -0.07 0.00 -2.27 0.00 0.00 64.05 59.39 2wsf n THR 495 Cb 0.08 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.03 2wsf n THR 495 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2wsf n HIS 496 N -1.17 0.00 -2.22 4.78 8.25 0.99 -4.46 115.22 121.39 2wsf n HIS 496 Ca 0.19 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.23 2wsf n HIS 496 Cb 0.74 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.58 2wsf n HIS 496 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wsf n ALA 497 N -3.51 4.74 0.00 -1.41 0.00 -0.99 -2.40 120.51 116.94 2wsf n ALA 497 Ca -0.13 -3.99 0.00 0.00 0.00 0.00 0.00 53.44 49.32 2wsf n ALA 497 Cb 0.49 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.52 2wsf n ALA 497 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wsf n LEU 498 N 6.36 0.00 0.15 0.00 0.00 -1.26 -3.09 117.00 119.16 2wsf n LEU 498 Ca 0.47 0.00 0.06 0.00 0.00 0.00 0.00 56.01 56.55 2wsf n LEU 498 Cb 0.41 0.00 0.06 0.00 0.00 0.00 0.00 43.42 43.89 2wsf n LEU 498 CO 0.82 0.00 0.47 0.00 0.00 0.00 0.00 177.39 178.68 2wsf h ALA 499 N 0.00 0.76 0.00 1.96 0.00 -1.69 -3.36 119.26 116.93 2wsf h ALA 499 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2wsf h ALA 499 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2wsf h ALA 499 CO 0.00 0.39 0.70 -2.30 0.00 0.00 0.00 179.25 178.04 2wsf n PRO 500 N -3.10 0.00 -0.65 0.00 -0.02 -1.26 -1.33 135.00 128.64 2wsf n PRO 500 Ca 0.01 -0.21 -0.02 0.00 -2.02 0.00 0.00 63.50 61.26 2wsf n PRO 500 Cb 0.66 -1.70 -0.02 0.00 -0.02 0.00 0.00 33.50 32.42 2wsf n PRO 500 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wsf n GLY 501 N 3.40 0.80 0.00 -1.23 0.00 -1.26 -4.72 105.19 102.19 2wsf n GLY 501 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wsf n GLY 501 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wsf n THR 502 N 0.00 0.00 0.18 2.61 -2.24 -0.44 -4.86 114.28 109.53 2wsf n THR 502 Ca -0.09 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.84 2wsf n THR 502 Cb 0.55 0.00 0.53 0.00 -2.10 0.00 0.00 70.33 69.31 2wsf n THR 502 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2wsf h THR 503 N 0.00 0.08 -1.92 4.28 1.35 -2.00 -3.42 112.91 111.28 2wsf h THR 503 Ca 0.00 0.00 -0.65 0.00 -0.55 0.00 0.00 66.41 65.21 2wsf h THR 503 Cb 0.00 0.38 0.08 0.00 -1.73 0.00 0.00 68.15 66.88 2wsf h THR 503 CO 0.00 0.00 0.25 0.00 -0.25 0.00 0.00 175.52 175.52 2wsf n ALA 504 N -1.96 -0.85 -0.26 6.62 0.00 -1.26 -4.95 120.51 117.84 2wsf n ALA 504 Ca 0.05 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2wsf n ALA 504 Cb 0.80 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2wsf n ALA 504 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wsf n PRO 505 N 1.73 0.00 0.00 0.00 -0.02 -1.26 -4.46 135.00 130.99 2wsf n PRO 505 Ca 0.15 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2wsf n PRO 505 Cb 0.24 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 2wsf n PRO 505 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wsf n GLY 506 N 1.09 -0.14 0.00 -1.23 0.00 -1.26 -4.74 105.19 98.91 2wsf n GLY 506 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2wsf n GLY 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsf n ALA 507 N -0.35 0.00 0.00 4.61 0.00 -1.26 -4.92 120.51 118.59 2wsf n ALA 507 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wsf n ALA 507 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wsf n ALA 507 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wsf n THR 508 N 0.00 0.00 0.00 0.00 -2.24 -1.26 -4.38 114.28 106.40 2wsf n THR 508 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2wsf n THR 508 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2wsf n THR 508 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wsf n ALA 509 N 0.82 0.00 0.00 6.98 0.00 -1.26 -3.93 120.51 123.12 2wsf n ALA 509 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wsf n ALA 509 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wsf n ALA 509 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wsf n SER 510 N 0.00 0.00 0.00 0.00 7.64 -1.26 -4.70 113.62 115.30 2wsf n SER 510 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2wsf n SER 510 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2wsf n SER 510 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2wsf n THR 511 N 0.00 0.00 -3.48 0.44 -1.04 -1.26 -4.80 114.28 104.14 2wsf n THR 511 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 2wsf n THR 511 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 2wsf n THR 511 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2wsf s SER 512 N -1.15 0.70 0.61 8.00 0.15 -1.26 -4.86 113.70 115.89 2wsf s SER 512 Ca 0.00 0.15 0.31 0.00 0.70 0.00 0.00 55.95 57.11 2wsf s SER 512 Cb 0.00 0.75 1.72 0.00 -1.71 0.00 0.00 66.02 66.78 2wsf s SER 512 CO 0.00 -0.30 2.07 0.25 1.20 0.00 0.00 173.24 176.47 2wsf h LEU 513 N 8.26 0.00 -0.58 3.45 5.85 -1.93 -2.34 115.31 128.02 2wsf h LEU 513 Ca -0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2wsf h LEU 513 Cb 1.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2wsf h LEU 513 CO 0.24 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 178.69 2wsf n THR 514 N -3.55 0.00 -4.26 1.05 -2.24 -1.26 -3.86 114.28 100.17 2wsf n THR 514 Ca 0.01 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.44 2wsf n THR 514 Cb 0.35 -0.23 -0.09 0.00 -2.10 0.00 0.00 70.33 68.26 2wsf n THR 514 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2wsf s TRP 515 N -1.42 3.24 0.00 4.78 0.51 -0.89 -4.22 118.94 120.94 2wsf s TRP 515 Ca 0.00 0.25 0.00 0.00 -2.12 0.00 0.00 56.10 54.23 2wsf s TRP 515 Cb 0.00 -1.81 0.00 0.00 -0.81 0.00 0.00 33.47 30.85 2wsf s TRP 515 CO 0.00 0.52 0.00 0.41 -0.51 0.00 0.00 176.95 177.37 2wsf n GLY 516 N 2.01 0.00 3.77 0.98 0.00 -1.26 -4.63 105.19 106.06 2wsf n GLY 516 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 2wsf n GLY 516 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wsf s GLY 517 N -1.11 3.01 0.41 -0.02 0.00 -1.18 -4.84 107.32 103.59 2wsf s GLY 517 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 44.72 45.86 2wsf s GLY 517 CO 0.00 1.77 0.00 0.61 0.00 0.00 0.00 173.10 175.48 2wsf n GLY 518 N 0.88 -2.16 0.40 0.20 0.00 -1.26 -4.87 105.19 98.38 2wsf n GLY 518 Ca 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 46.02 45.40 2wsf n GLY 518 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wsf n ASP 519 N -3.90 -2.17 0.00 1.61 2.03 -1.26 -4.94 116.55 107.93 2wsf n ASP 519 Ca -0.06 0.44 0.00 0.00 0.52 0.00 0.00 54.79 55.69 2wsf n ASP 519 Cb 0.45 -1.07 0.00 0.00 -0.72 0.00 0.00 41.12 39.78 2wsf n ASP 519 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2wsf n LEU 520 N -2.31 0.00 -0.05 -2.67 4.32 -1.26 -4.87 117.00 110.15 2wsf n LEU 520 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 2wsf n LEU 520 Cb 0.16 0.30 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 2wsf n LEU 520 CO 0.01 -0.31 0.00 0.52 -1.22 0.00 0.00 177.39 176.38 2wsf n VAL 521 N -1.94 0.00 -2.59 4.08 0.31 -1.26 -4.80 118.33 112.14 2wsf n VAL 521 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 2wsf n VAL 521 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 2wsf n VAL 521 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wsf s ALA 522 N 0.00 2.77 0.00 3.52 0.00 -1.26 -4.88 121.76 121.91 2wsf s ALA 522 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 51.96 49.92 2wsf s ALA 522 Cb 0.00 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.71 2wsf s ALA 522 CO 0.00 -3.47 0.00 0.28 0.00 0.00 0.00 175.76 172.57 2wsf n VAL 523 N 6.65 0.00 -0.13 0.00 0.31 -1.26 -3.33 118.33 120.56 2wsf n VAL 523 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 2wsf n VAL 523 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 2wsf n VAL 523 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wsf n GLY 524 N 0.57 -0.46 0.00 2.92 0.00 -1.26 -4.72 105.19 102.24 2wsf n GLY 524 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wsf n GLY 524 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wsf n ASN 525 N -0.09 0.00 0.00 1.61 2.85 -1.26 -5.09 115.26 113.28 2wsf n ASN 525 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2wsf n ASN 525 Cb 0.09 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.11 2wsf n ASN 525 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2wsf n LYS 526 N -0.73 0.00 -1.55 1.20 5.02 -1.26 -4.70 118.16 116.13 2wsf n LYS 526 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wsf n LYS 526 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wsf n LYS 526 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2wsf n VAL 527 N 0.00 0.00 0.00 -0.18 0.31 -1.24 -4.10 118.33 113.12 2wsf n VAL 527 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wsf n VAL 527 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wsf n VAL 527 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wsf n ALA 528 N -3.00 0.00 -2.88 3.52 0.00 -1.21 -2.95 120.51 113.98 2wsf n ALA 528 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2wsf n ALA 528 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2wsf n ALA 528 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2wsf s LEU 529 N 0.00 4.23 0.30 0.00 0.05 -1.26 -4.41 118.68 117.58 2wsf s LEU 529 Ca 0.00 0.22 -0.04 0.00 0.05 0.00 0.00 54.13 54.36 2wsf s LEU 529 Cb 0.00 -2.78 -0.01 0.00 -2.05 0.00 0.00 46.19 41.36 2wsf s LEU 529 CO 0.00 0.19 0.41 -1.48 -0.55 0.00 0.00 176.35 174.92 2wsf s LEU 530 N -2.35 0.92 0.04 1.48 0.05 -1.26 -4.75 118.68 112.81 2wsf s LEU 530 Ca 0.32 -1.35 -0.03 0.00 0.05 0.00 0.00 54.13 53.11 2wsf s LEU 530 Cb -0.13 1.30 0.04 0.00 -2.05 0.00 0.00 46.19 45.35 2wsf s LEU 530 CO 0.25 -1.17 0.28 -2.65 -0.55 0.00 0.00 176.35 172.51 2wsf n PRO 531 N -0.48 -0.05 -2.90 1.48 -0.02 -1.25 -4.07 135.00 127.72 2wsf n PRO 531 Ca 0.01 0.28 -0.04 0.00 -2.02 0.00 0.00 63.50 61.73 2wsf n PRO 531 Cb 0.62 -0.42 0.00 0.00 -0.02 0.00 0.00 33.50 33.69 2wsf n PRO 531 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 2wsf n ILE 532 N -4.27 -9.18 -1.15 4.25 3.06 -1.26 -3.81 119.36 107.00 2wsf n ILE 532 Ca 0.02 1.28 -0.30 0.00 -2.50 0.00 0.00 62.75 61.25 2wsf n ILE 532 Cb 0.07 -5.92 0.14 0.00 0.54 0.00 0.00 39.64 34.47 2wsf n ILE 532 CO 0.00 0.00 0.00 -2.84 -2.50 0.00 0.00 176.55 171.21 2wsf s PRO 533 N -1.72 1.23 0.00 9.51 0.02 -1.26 -4.91 135.00 137.86 2wsf s PRO 533 Ca 0.07 0.90 0.00 0.00 0.02 0.00 0.00 61.00 61.99 2wsf s PRO 533 Cb -0.01 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.71 2wsf s PRO 533 CO 0.62 -2.28 0.00 1.28 -0.33 0.00 0.00 177.00 176.29 2wsf n LEU 534 N -3.92 0.00 0.00 -5.54 4.32 -1.26 -5.04 117.00 105.55 2wsf n LEU 534 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 2wsf n LEU 534 Cb 0.55 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.35 2wsf n LEU 534 CO 0.55 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.33 2wsf n GLY 535 N 0.64 0.00 3.79 -0.72 0.00 -1.26 -4.89 105.19 102.74 2wsf n GLY 535 Ca 0.00 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.44 2wsf n GLY 535 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wsf s THR 536 N 0.00 4.33 0.00 2.61 -1.32 -1.26 0.77 115.64 120.77 2wsf s THR 536 Ca 0.00 1.66 0.00 0.00 -1.21 0.00 0.00 61.69 62.14 2wsf s THR 536 Cb 0.00 -4.00 0.00 0.00 -1.51 0.00 0.00 72.50 66.99 2wsf s THR 536 CO 0.00 0.24 0.00 0.00 -2.21 0.00 0.00 174.62 172.65 2wsf n ALA 537 N 0.81 0.00 0.00 11.08 0.00 -1.26 -4.61 120.51 126.53 2wsf n ALA 537 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2wsf n ALA 537 Cb 0.50 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.56 2wsf n ALA 537 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2wsf n ASP 538 N 1.34 0.00 -0.07 0.00 4.64 -1.25 -4.92 116.55 116.29 2wsf n ASP 538 Ca 0.00 0.00 -0.07 0.00 -1.38 0.00 0.00 54.79 53.34 2wsf n ASP 538 Cb 0.39 0.00 -0.00 0.00 -1.04 0.00 0.00 41.12 40.46 2wsf n ASP 538 CO 0.00 0.00 0.00 0.15 -0.82 0.00 0.00 177.20 176.53 2wsf h PHE 539 N 0.00 -0.00 0.00 -0.67 -0.00 0.10 -2.98 116.94 113.39 2wsf h PHE 539 Ca 0.00 0.02 -0.23 0.00 -0.00 0.00 0.00 57.97 57.76 2wsf h PHE 539 Cb 0.00 0.04 -0.04 0.00 -0.00 0.00 0.00 35.95 35.95 2wsf h PHE 539 CO 0.00 -0.04 -2.20 1.47 -0.00 0.00 0.00 178.31 177.55 2wsf n LEU 540 N -5.15 0.00 0.23 0.59 -0.00 -1.26 -2.99 117.00 108.42 2wsf n LEU 540 Ca -0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.85 2wsf n LEU 540 Cb 0.14 0.31 -0.08 0.00 -0.00 0.00 0.00 43.42 43.80 2wsf n LEU 540 CO 0.24 0.31 0.70 0.58 -0.00 0.00 0.00 177.39 179.22 2wsf h VAL 541 N 0.00 0.47 -1.32 1.47 2.07 -1.92 0.19 116.25 117.21 2wsf h VAL 541 Ca -0.34 0.00 0.38 0.00 0.82 0.00 0.00 66.70 67.56 2wsf h VAL 541 Cb 1.76 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 2wsf h VAL 541 CO 0.02 0.00 1.05 0.45 0.02 0.00 0.00 177.57 179.11 2wsf h HIS 542 N -0.62 0.00 0.13 1.57 3.86 -1.62 0.47 115.15 118.94 2wsf h HIS 542 Ca -0.04 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.83 2wsf h HIS 542 Cb 0.52 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 2wsf h HIS 542 CO -0.11 0.00 -1.81 0.45 0.86 0.00 0.00 177.93 177.32 2wsf h HIS 543 N 0.00 0.49 -0.96 2.45 -0.00 -1.28 -3.26 115.15 112.59 2wsf h HIS 543 Ca 0.63 -0.36 0.10 0.00 -0.00 0.00 0.00 60.37 60.74 2wsf h HIS 543 Cb 2.73 -0.02 -0.08 0.00 -0.00 0.00 0.00 27.41 30.04 2wsf h HIS 543 CO 0.00 1.59 0.60 0.97 -0.00 0.00 0.00 177.93 181.09 2wsf h ILE 544 N 0.07 0.97 -0.65 2.45 6.09 0.30 -0.00 117.51 126.73 2wsf h ILE 544 Ca -0.35 -0.34 0.13 0.00 -1.37 0.00 0.00 64.86 62.92 2wsf h ILE 544 Cb 2.05 -0.12 -0.12 0.00 0.47 0.00 0.00 36.82 39.09 2wsf h ILE 544 CO 0.13 0.18 -0.18 0.45 -3.07 0.00 0.00 178.15 175.66 2wsf h HIS 545 N 1.00 -0.38 0.05 2.19 3.86 -1.34 0.55 115.15 121.07 2wsf h HIS 545 Ca 0.45 0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.72 2wsf h HIS 545 Cb 0.36 0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 2wsf h HIS 545 CO -0.02 -0.29 -0.10 0.00 0.86 0.00 0.00 177.93 178.38 2wsf h ALA 546 N 1.62 -0.71 -0.96 2.45 0.00 -1.04 1.26 119.26 121.87 2wsf h ALA 546 Ca 0.31 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.43 2wsf h ALA 546 Cb 0.49 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 2wsf h ALA 546 CO -0.68 -0.72 0.64 0.35 0.00 0.00 0.00 179.25 178.83 2wsf h PHE 547 N -0.16 0.53 -0.06 0.00 3.04 -1.21 0.41 116.94 119.50 2wsf h PHE 547 Ca -0.01 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.90 2wsf h PHE 547 Cb 0.15 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.50 2wsf h PHE 547 CO -0.24 0.10 -0.22 1.15 -2.02 0.00 0.00 178.31 177.09 2wsf h THR 548 N 0.37 1.45 -0.09 4.41 2.02 0.66 -2.24 112.91 119.48 2wsf h THR 548 Ca 0.52 -1.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.01 2wsf h THR 548 Cb 1.36 2.36 -0.01 0.00 -1.74 0.00 0.00 68.15 70.12 2wsf h THR 548 CO -0.20 0.46 -0.14 0.40 0.37 0.00 0.00 175.52 176.41 2wsf h ILE 549 N -0.28 1.16 0.00 3.11 2.04 0.28 -2.73 117.51 121.09 2wsf h ILE 549 Ca -0.01 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 2wsf h ILE 549 Cb 0.86 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 2wsf h ILE 549 CO 0.05 0.21 -0.00 0.45 0.00 0.00 0.00 178.15 178.86 2wsf h HIS 550 N 0.14 -0.01 -0.15 1.37 3.86 -0.23 -3.35 115.15 116.78 2wsf h HIS 550 Ca 0.03 -0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.13 2wsf h HIS 550 Cb 0.34 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 2wsf h HIS 550 CO 0.00 0.86 -0.38 -0.39 0.86 0.00 0.00 177.93 178.88 2wsf h VAL 551 N -0.92 1.30 -3.08 2.45 -1.51 -1.48 -2.21 116.25 110.81 2wsf h VAL 551 Ca -0.00 -1.48 -0.53 0.00 -1.23 0.00 0.00 66.70 63.46 2wsf h VAL 551 Cb 0.87 1.60 0.06 0.00 -2.13 0.00 0.00 31.29 31.69 2wsf h VAL 551 CO 0.00 0.45 0.88 -0.89 -1.23 0.00 0.00 177.57 176.78 2wsf s THR 552 N -4.22 2.37 0.00 7.19 2.01 -1.03 -3.01 115.64 118.95 2wsf s THR 552 Ca -0.05 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.23 2wsf s THR 552 Cb 0.13 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.46 2wsf s THR 552 CO 0.78 0.03 0.00 0.55 -0.69 0.00 0.00 174.62 175.30 2wsf n VAL 553 N 3.05 0.00 0.03 3.82 3.14 -1.25 -4.70 118.33 122.43 2wsf n VAL 553 Ca 0.11 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.35 2wsf n VAL 553 Cb 0.38 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.08 2wsf n VAL 553 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 2wsf h LEU 554 N 0.00 -1.44 -1.09 6.55 5.85 -1.30 2.85 115.31 126.72 2wsf h LEU 554 Ca 0.00 0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 2wsf h LEU 554 Cb 0.00 0.57 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2wsf h LEU 554 CO 0.00 -0.47 -0.35 0.16 -0.34 0.00 0.00 178.44 177.43 2wsf h ILE 555 N -0.58 1.28 0.21 4.05 3.07 -1.85 0.91 117.51 124.59 2wsf h ILE 555 Ca 0.05 -1.34 -0.27 0.00 1.55 0.00 0.00 64.86 64.84 2wsf h ILE 555 Cb 0.67 1.61 0.03 0.00 -0.27 0.00 0.00 36.82 38.86 2wsf h ILE 555 CO -0.37 0.40 -1.19 -0.07 -1.05 0.00 0.00 178.15 175.87 2wsf h LEU 556 N 0.16 0.69 0.18 0.16 4.07 -1.72 -2.80 115.31 116.04 2wsf h LEU 556 Ca 0.02 -0.93 -0.01 0.00 0.08 0.00 0.00 57.88 57.04 2wsf h LEU 556 Cb 0.70 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.22 2wsf h LEU 556 CO 0.05 1.58 -0.08 0.25 -1.08 0.00 0.00 178.44 179.15 2wsf h LEU 557 N -0.07 -0.20 -1.87 1.67 5.85 0.54 0.57 115.31 121.80 2wsf h LEU 557 Ca -0.21 0.01 0.21 0.00 0.84 0.00 0.00 57.88 58.73 2wsf h LEU 557 Cb 1.94 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 43.00 2wsf h LEU 557 CO 0.22 -0.14 0.66 0.50 -0.34 0.00 0.00 178.44 179.35 2wsf h LYS 558 N -0.25 0.00 0.05 1.25 3.11 -0.98 -0.67 116.57 119.08 2wsf h LYS 558 Ca -0.02 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.81 2wsf h LYS 558 Cb 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.41 2wsf h LYS 558 CO 0.04 0.00 -0.03 0.78 -2.81 0.00 0.00 179.45 177.43 2wsf h GLY 559 N 0.00 -0.08 2.00 5.01 0.00 -1.14 -2.25 103.07 106.62 2wsf h GLY 559 Ca 0.35 0.03 -0.12 0.00 0.00 0.00 0.00 47.33 47.59 2wsf h GLY 559 CO -0.00 -0.03 -0.58 -0.39 0.00 0.00 0.00 176.54 175.54 2wsf h VAL 560 N -0.61 1.13 0.26 4.60 -1.51 -0.23 -3.34 116.25 116.55 2wsf h VAL 560 Ca -0.01 -2.22 -0.01 0.00 -1.23 0.00 0.00 66.70 63.23 2wsf h VAL 560 Cb 0.53 2.31 0.00 0.00 -2.13 0.00 0.00 31.29 32.00 2wsf h VAL 560 CO 0.01 0.57 -0.12 0.25 -1.23 0.00 0.00 177.57 177.04 2wsf h LEU 561 N 0.00 -0.30 -3.62 4.19 6.46 -1.19 -3.19 115.31 117.67 2wsf h LEU 561 Ca -0.01 -0.22 -0.08 0.00 -0.12 0.00 0.00 57.88 57.45 2wsf h LEU 561 Cb 1.26 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 41.24 2wsf h LEU 561 CO 0.08 0.19 -0.12 0.49 -0.62 0.00 0.00 178.44 178.45 2wsf n PHE 562 N -5.03 0.00 0.14 1.25 3.72 -0.85 -4.58 117.46 112.11 2wsf n PHE 562 Ca -0.08 -1.05 -0.00 0.00 -0.05 0.00 0.00 57.45 56.27 2wsf n PHE 562 Cb 0.26 -0.91 0.18 0.00 -0.94 0.00 0.00 39.48 38.06 2wsf n PHE 562 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wsf h ALA 563 N 2.39 0.91 0.00 4.37 0.00 -1.67 -3.39 119.26 121.87 2wsf h ALA 563 Ca 0.08 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2wsf h ALA 563 Cb 1.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2wsf h ALA 563 CO 0.13 0.74 -0.39 2.89 0.00 0.00 0.00 179.25 182.62 2wsf n ARG 564 N -3.68 3.38 -3.64 0.00 1.85 -1.26 -4.76 116.66 108.56 2wsf n ARG 564 Ca -0.01 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.69 2wsf n ARG 564 Cb 0.63 -0.69 -0.07 0.00 -1.05 0.00 0.00 32.46 31.27 2wsf n ARG 564 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2wsf s SER 565 N -0.91 -0.40 0.04 2.89 0.01 -1.26 -2.40 113.70 111.66 2wsf s SER 565 Ca 0.00 0.32 -0.29 0.00 1.31 0.00 0.00 55.95 57.30 2wsf s SER 565 Cb 0.00 0.43 0.10 0.00 0.21 0.00 0.00 66.02 66.76 2wsf s SER 565 CO 0.00 -0.56 1.13 -0.55 0.41 0.00 0.00 173.24 173.67 2wsf s SER 566 N -1.42 -0.13 -0.49 2.44 0.15 -0.01 -4.82 113.70 109.42 2wsf s SER 566 Ca -0.11 -0.22 -0.02 0.00 0.70 0.00 0.00 55.95 56.30 2wsf s SER 566 Cb -0.02 0.30 0.27 0.00 -1.71 0.00 0.00 66.02 64.85 2wsf s SER 566 CO 0.05 -0.54 2.16 -2.11 1.20 0.00 0.00 173.24 174.00 2wsf n ARG 567 N -0.44 2.26 0.00 5.44 1.85 -1.26 -1.70 116.66 122.81 2wsf n ARG 567 Ca -0.07 -2.39 0.00 0.00 -1.00 0.00 0.00 57.85 54.39 2wsf n ARG 567 Cb 0.62 -1.97 0.00 0.00 -1.05 0.00 0.00 32.46 30.06 2wsf n ARG 567 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2wsf n LEU 568 N -0.02 1.56 -3.71 2.89 -0.00 -1.26 -5.03 117.00 111.44 2wsf n LEU 568 Ca 0.45 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 56.28 2wsf n LEU 568 Cb 0.57 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.82 2wsf n LEU 568 CO 0.51 0.25 -0.33 -0.63 -0.00 0.00 0.00 177.39 177.19 2wsf s ILE 569 N -1.57 -0.11 -0.16 1.96 1.09 -1.22 -5.02 121.20 116.17 2wsf s ILE 569 Ca 0.00 0.34 0.13 0.00 -1.10 0.00 0.00 60.65 60.02 2wsf s ILE 569 Cb 0.00 -0.15 -0.24 0.00 -1.06 0.00 0.00 42.46 41.02 2wsf s ILE 569 CO 0.00 0.14 0.22 -0.81 -0.10 0.00 0.00 174.94 174.39 2wsf n PRO 570 N 4.89 0.67 -0.18 2.79 -0.04 -0.69 -0.83 135.00 141.63 2wsf n PRO 570 Ca -0.12 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2wsf n PRO 570 Cb 0.50 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 2wsf n PRO 570 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2wsf n ASP 571 N -2.95 2.36 -0.91 3.54 -0.08 -1.26 -4.30 116.55 112.94 2wsf n ASP 571 Ca -0.30 -1.50 0.08 0.00 -1.51 0.00 0.00 54.79 51.56 2wsf n ASP 571 Cb 1.10 -0.48 0.25 0.00 2.34 0.00 0.00 41.12 44.34 2wsf n ASP 571 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2wsf n LYS 572 N 1.43 3.03 -3.60 -0.67 4.81 -1.25 -4.56 118.16 117.35 2wsf n LYS 572 Ca 0.00 -2.74 -0.27 0.00 -0.87 0.00 0.00 58.31 54.43 2wsf n LYS 572 Cb 0.26 -1.78 -0.16 0.00 0.02 0.00 0.00 35.03 33.36 2wsf n LYS 572 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wsf s ALA 573 N -2.53 0.50 0.00 3.14 0.00 -1.01 -4.53 121.76 117.33 2wsf s ALA 573 Ca 0.40 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2wsf s ALA 573 Cb 0.31 -1.13 0.00 0.00 0.00 0.00 0.00 23.12 22.30 2wsf s ALA 573 CO 0.10 -1.30 0.00 0.27 0.00 0.00 0.00 175.76 174.84 2wsf n ASN 574 N 5.26 0.00 0.00 0.00 6.94 -1.26 -5.05 115.26 121.15 2wsf n ASN 574 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.49 2wsf n ASN 574 Cb 0.47 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.89 2wsf n ASN 574 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wsf n LEU 575 N -0.01 0.00 0.00 -4.53 -0.00 -1.26 -5.19 117.00 106.00 2wsf n LEU 575 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2wsf n LEU 575 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2wsf n LEU 575 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 2wsf n GLY 576 N 2.32 3.24 0.19 1.47 0.00 -1.26 -5.06 105.19 106.09 2wsf n GLY 576 Ca 0.00 -1.36 0.10 0.00 0.00 0.00 0.00 46.02 44.76 2wsf n GLY 576 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2wsf h PHE 577 N 0.92 0.00 0.00 1.61 -5.15 -1.92 -3.39 116.94 109.01 2wsf h PHE 577 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2wsf h PHE 577 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 2wsf h PHE 577 CO 0.00 0.12 0.00 0.54 -2.00 0.00 0.00 178.31 176.97 2wsf n ARG 578 N -3.08 0.00 -1.76 6.09 1.74 -1.26 -2.45 116.66 115.93 2wsf n ARG 578 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2wsf n ARG 578 Cb 0.58 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.02 2wsf n ARG 578 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 2wsf n PHE 579 N 0.00 -1.69 0.00 -1.55 -1.74 -1.26 -4.50 117.46 106.72 2wsf n PHE 579 Ca 0.00 1.02 0.00 0.00 -0.56 0.00 0.00 57.45 57.91 2wsf n PHE 579 Cb 0.00 -1.62 0.00 0.00 1.52 0.00 0.00 39.48 39.38 2wsf n PHE 579 CO 0.00 0.00 0.00 -0.35 -0.56 0.00 0.00 176.76 175.85 2wsf n PRO 580 N 1.70 0.00 -3.60 3.97 -0.04 -1.26 -4.78 135.00 130.98 2wsf n PRO 580 Ca 0.00 0.69 -0.10 0.00 -0.04 0.00 0.00 63.50 64.05 2wsf n PRO 580 Cb 0.00 -1.10 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 2wsf n PRO 580 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wsf h ASP 582 N 3.41 0.01 -0.37 0.00 -0.00 -1.58 -3.48 116.42 114.42 2wsf h ASP 582 Ca -0.24 0.03 0.00 0.00 -0.00 0.00 0.00 57.03 56.82 2wsf h ASP 582 Cb 1.17 0.04 0.00 0.00 -0.00 0.00 0.00 39.33 40.54 2wsf h ASP 582 CO 0.21 0.03 0.00 0.61 -0.00 0.00 0.00 179.24 180.09 2wsf n GLY 583 N -1.17 3.68 0.45 -0.78 0.00 -1.01 -5.00 105.19 101.36 2wsf n GLY 583 Ca -0.03 -0.61 0.24 0.00 0.00 0.00 0.00 46.02 45.62 2wsf n GLY 583 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wsf n PRO 584 N -1.09 0.01 0.00 1.61 -0.02 -1.26 -4.51 135.00 129.74 2wsf n PRO 584 Ca 0.00 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2wsf n PRO 584 Cb 0.00 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 2wsf n PRO 584 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wsf n GLY 585 N -1.57 -2.91 2.69 -1.23 0.00 -1.26 -4.12 105.19 96.78 2wsf n GLY 585 Ca 0.20 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2wsf n GLY 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wsf n ARG 586 N -0.62 -1.61 0.00 1.61 1.74 -1.26 -2.15 116.66 114.37 2wsf n ARG 586 Ca 0.00 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 2wsf n ARG 586 Cb 0.00 -3.76 0.00 0.00 -1.02 0.00 0.00 32.46 27.68 2wsf n ARG 586 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wsf n GLY 587 N 0.32 2.00 0.28 -0.13 0.00 -1.26 -4.73 105.19 101.66 2wsf n GLY 587 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2wsf n GLY 587 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wsf n GLY 588 N 0.00 -0.13 2.47 -0.02 0.00 -0.92 -4.93 105.19 101.66 2wsf n GLY 588 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2wsf n GLY 588 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wsf n THR 589 N -1.92 -1.08 0.00 2.61 -1.04 -1.25 -4.36 114.28 107.23 2wsf n THR 589 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2wsf n THR 589 Cb 0.00 -2.64 0.00 0.00 -1.82 0.00 0.00 70.33 65.87 2wsf n THR 589 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wsf h GLN 591 N 0.00 -0.87 0.00 0.00 5.75 -1.91 -3.33 115.11 114.74 2wsf h GLN 591 Ca 0.00 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2wsf h GLN 591 Cb 0.00 0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.75 2wsf h GLN 591 CO 0.00 -0.58 0.00 1.33 -2.65 0.00 0.00 178.83 176.93 2wsf n VAL 592 N -5.00 0.00 -2.23 2.39 0.24 -1.26 -4.69 118.33 107.78 2wsf n VAL 592 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 2wsf n VAL 592 Cb 0.36 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 2wsf n VAL 592 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2wsf n SER 593 N -0.10 0.00 0.00 -1.34 2.88 -1.26 -4.35 113.62 109.44 2wsf n SER 593 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2wsf n SER 593 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2wsf n SER 593 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wsf n ALA 594 N 8.21 0.00 -0.36 -1.46 0.00 -1.15 -4.72 120.51 121.03 2wsf n ALA 594 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2wsf n ALA 594 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 2wsf n ALA 594 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2wsf h TRP 595 N 0.00 1.18 0.00 0.00 7.01 -1.74 -2.39 115.95 120.02 2wsf h TRP 595 Ca 0.00 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 60.89 2wsf h TRP 595 Cb 0.00 -0.39 -0.02 0.00 -2.10 0.00 0.00 29.16 26.64 2wsf h TRP 595 CO 0.00 0.65 -1.05 -0.44 -2.79 0.00 0.00 178.44 174.81 2wsf h ASP 596 N 1.19 0.00 1.11 2.65 3.45 -1.85 -1.97 116.42 121.00 2wsf h ASP 596 Ca 0.41 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.79 2wsf h ASP 596 Cb 0.09 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 2wsf h ASP 596 CO -0.14 0.54 -0.38 0.45 -1.57 0.00 0.00 179.24 178.13 2wsf h HIS 597 N 0.00 0.00 -0.95 4.55 3.86 -1.75 -0.07 115.15 120.79 2wsf h HIS 597 Ca -0.09 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.57 2wsf h HIS 597 Cb 1.49 0.00 -0.29 0.00 1.06 0.00 0.00 27.41 29.67 2wsf h HIS 597 CO 0.00 0.38 0.69 0.28 0.86 0.00 0.00 177.93 180.14 2wsf n VAL 598 N -3.38 3.24 0.00 2.45 0.31 -0.80 -2.15 118.33 118.00 2wsf n VAL 598 Ca 0.01 -2.14 0.00 0.00 -0.01 0.00 0.00 64.34 62.20 2wsf n VAL 598 Cb 0.57 -0.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 2wsf n VAL 598 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2wsf n PHE 599 N -0.98 0.00 1.35 3.52 -0.00 -0.83 -4.58 117.46 115.95 2wsf n PHE 599 Ca 0.58 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 58.17 2wsf n PHE 599 Cb 1.30 0.16 0.62 0.00 -0.00 0.00 0.00 39.48 41.56 2wsf n PHE 599 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 2wsf n LEU 600 N -2.23 0.34 -0.04 -2.13 4.77 -0.10 -2.75 117.00 114.87 2wsf n LEU 600 Ca 0.00 0.10 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 2wsf n LEU 600 Cb 0.16 -0.23 -0.14 0.00 -2.33 0.00 0.00 43.42 40.88 2wsf n LEU 600 CO 0.00 0.07 -0.72 0.61 -1.33 0.00 0.00 177.39 176.01 2wsf n GLY 601 N 1.31 -0.89 0.47 -0.72 0.00 -0.91 -3.10 105.19 101.34 2wsf n GLY 601 Ca 0.13 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 2wsf n GLY 601 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wsf h LEU 602 N 0.01 -1.00 -0.83 0.99 3.38 -1.81 -2.45 115.31 113.61 2wsf h LEU 602 Ca -0.37 0.03 0.26 0.00 0.09 0.00 0.00 57.88 57.90 2wsf h LEU 602 Cb 2.05 0.26 -0.15 0.00 0.09 0.00 0.00 40.66 42.91 2wsf h LEU 602 CO 0.06 -0.69 0.14 0.49 0.09 0.00 0.00 178.44 178.53 2wsf n PHE 603 N -5.28 0.66 0.08 1.13 3.72 -1.11 0.22 117.46 116.88 2wsf n PHE 603 Ca -0.15 1.00 -0.03 0.00 -0.05 0.00 0.00 57.45 58.21 2wsf n PHE 603 Cb 0.46 -1.20 -0.02 0.00 -0.94 0.00 0.00 39.48 37.79 2wsf n PHE 603 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 176.76 175.22 2wsf h TRP 604 N 0.00 -0.21 -1.19 1.38 4.06 -1.60 -3.35 115.95 115.04 2wsf h TRP 604 Ca 0.56 -0.00 0.43 0.00 2.06 0.00 0.00 58.89 61.93 2wsf h TRP 604 Cb 1.28 0.07 -0.15 0.00 -1.00 0.00 0.00 29.16 29.35 2wsf h TRP 604 CO -0.30 -0.13 0.72 0.00 -3.56 0.00 0.00 178.44 175.16 2wsf h MET 605 N -0.33 0.06 -1.05 0.49 -0.00 0.28 3.62 114.93 117.99 2wsf h MET 605 Ca -0.02 -0.00 0.29 0.00 -0.00 0.00 0.00 59.70 59.96 2wsf h MET 605 Cb 0.17 -0.01 -0.12 0.00 -0.00 0.00 0.00 31.60 31.64 2wsf h MET 605 CO 0.04 0.04 0.65 -0.92 -0.00 0.00 0.00 176.91 176.72 2wsf h TYR 606 N 0.06 0.80 0.17 -0.10 3.20 -1.35 0.61 116.97 120.37 2wsf h TYR 606 Ca 0.84 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.73 2wsf h TYR 606 Cb 2.42 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 40.47 2wsf h TYR 606 CO -0.01 -0.01 -0.08 -0.91 -1.64 0.00 0.00 178.16 175.51 2wsf h ASN 607 N 0.41 -0.20 -0.72 -2.11 -0.26 0.67 -0.86 115.58 112.51 2wsf h ASN 607 Ca 0.66 -0.32 0.09 0.00 -0.56 0.00 0.00 56.30 56.17 2wsf h ASN 607 Cb 1.57 0.05 -0.12 0.00 -1.06 0.00 0.00 38.32 38.76 2wsf h ASN 607 CO -0.42 0.28 -0.47 0.28 -1.06 0.00 0.00 177.43 176.03 2wsf h SER 608 N -0.74 -1.67 -0.08 5.81 0.02 0.40 0.77 113.55 118.07 2wsf h SER 608 Ca -0.02 0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 61.14 2wsf h SER 608 Cb 0.51 0.76 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2wsf h SER 608 CO 0.04 -0.31 -0.17 0.40 -1.14 0.00 0.00 176.83 175.64 2wsf h ILE 609 N -0.16 1.41 -0.16 3.27 1.08 -0.77 -3.07 117.51 119.12 2wsf h ILE 609 Ca 0.19 -1.50 0.04 0.00 -0.39 0.00 0.00 64.86 63.21 2wsf h ILE 609 Cb 0.54 2.21 -0.01 0.00 -3.07 0.00 0.00 36.82 36.49 2wsf h ILE 609 CO -0.78 0.42 0.19 -1.28 -0.69 0.00 0.00 178.15 176.02 2wsf h SER 610 N -0.23 0.00 0.24 1.72 0.87 0.10 0.99 113.55 117.24 2wsf h SER 610 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2wsf h SER 610 Cb 0.77 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 2wsf h SER 610 CO 0.04 0.00 -1.43 0.55 -0.53 0.00 0.00 176.83 175.46 2wsf n VAL 611 N -3.70 0.12 0.01 2.23 3.14 0.23 -3.44 118.33 116.93 2wsf n VAL 611 Ca 0.01 -0.34 -0.18 0.00 -2.96 0.00 0.00 64.34 60.86 2wsf n VAL 611 Cb 0.31 0.20 -0.10 0.00 -1.06 0.00 0.00 33.84 33.18 2wsf n VAL 611 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 2wsf h VAL 612 N 0.00 1.35 -0.01 1.55 2.07 -0.75 -2.61 116.25 117.86 2wsf h VAL 612 Ca 0.00 -2.10 0.03 0.00 0.82 0.00 0.00 66.70 65.45 2wsf h VAL 612 Cb 0.83 2.42 -0.05 0.00 -1.52 0.00 0.00 31.29 32.98 2wsf h VAL 612 CO 0.00 0.63 -0.30 0.40 0.02 0.00 0.00 177.57 178.33 2wsf h ILE 613 N 0.16 0.34 -0.52 4.57 5.03 -1.43 -2.29 117.51 123.37 2wsf h ILE 613 Ca -0.09 0.00 0.15 0.00 -0.12 0.00 0.00 64.86 64.80 2wsf h ILE 613 Cb 1.45 0.34 -0.02 0.00 -3.03 0.00 0.00 36.82 35.56 2wsf h ILE 613 CO 0.15 0.00 0.52 -0.26 -0.68 0.00 0.00 178.15 177.88 2wsf h PHE 614 N -0.44 0.00 0.23 1.37 0.05 -1.56 -2.04 116.94 114.55 2wsf h PHE 614 Ca 0.06 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.84 2wsf h PHE 614 Cb 0.53 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.48 2wsf h PHE 614 CO -0.33 0.00 -0.11 1.25 -0.18 0.00 0.00 178.31 178.94 2wsf h HIS 615 N 0.00 -0.29 -0.28 -0.55 2.76 -1.03 -3.30 115.15 112.46 2wsf h HIS 615 Ca 0.25 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.48 2wsf h HIS 615 Cb 1.28 0.10 -0.08 0.00 1.55 0.00 0.00 27.41 30.26 2wsf h HIS 615 CO 0.00 -0.18 -0.29 0.35 -1.30 0.00 0.00 177.93 176.51 2wsf h PHE 616 N -0.79 -0.80 -0.34 5.26 3.57 -0.92 -0.94 116.94 121.98 2wsf h PHE 616 Ca -0.03 0.05 -0.15 0.00 3.53 0.00 0.00 57.97 61.37 2wsf h PHE 616 Cb 0.24 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 2wsf h PHE 616 CO 0.02 -0.36 -0.37 0.66 -2.23 0.00 0.00 178.31 176.03 2wsf h SER 617 N -0.28 0.85 -0.27 0.41 4.64 -1.77 1.50 113.55 118.63 2wsf h SER 617 Ca 0.14 -0.38 -0.06 0.00 -0.47 0.00 0.00 61.79 61.03 2wsf h SER 617 Cb 0.51 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 2wsf h SER 617 CO -0.44 1.13 -0.01 -0.25 -0.87 0.00 0.00 176.83 176.38 2wsf h TRP 618 N 0.67 0.63 0.15 4.77 7.01 -1.57 -1.90 115.95 125.70 2wsf h TRP 618 Ca 0.06 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 2wsf h TRP 618 Cb 0.92 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.81 2wsf h TRP 618 CO 0.05 0.62 -0.07 0.87 -2.79 0.00 0.00 178.44 177.12 2wsf h LYS 619 N 0.57 -0.20 0.00 2.65 1.79 -0.91 -2.15 116.57 118.32 2wsf h LYS 619 Ca 0.12 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2wsf h LYS 619 Cb 0.39 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 2wsf h LYS 619 CO 0.01 -0.13 0.19 -0.12 -1.08 0.00 0.00 179.45 178.32 2wsf n MET 620 N -2.80 0.02 -0.04 3.15 1.56 0.51 0.33 117.12 119.85 2wsf n MET 620 Ca -0.03 0.39 -0.06 0.00 -0.27 0.00 0.00 57.70 57.73 2wsf n MET 620 Cb 0.08 -1.76 -0.03 0.00 2.15 0.00 0.00 33.22 33.66 2wsf n MET 620 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 2wsf n GLN 621 N -1.51 0.17 -0.33 2.12 6.02 -0.73 -0.50 117.38 122.63 2wsf n GLN 621 Ca -0.00 0.05 0.17 0.00 -0.01 0.00 0.00 57.00 57.21 2wsf n GLN 621 Cb 0.19 -1.00 0.41 0.00 1.02 0.00 0.00 30.24 30.87 2wsf n GLN 621 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2wsf h SER 622 N -0.10 0.62 -4.99 1.08 0.87 -0.36 -3.17 113.55 107.50 2wsf h SER 622 Ca -0.17 0.09 -0.31 0.00 -1.23 0.00 0.00 61.79 60.17 2wsf h SER 622 Cb 1.21 -0.02 -0.15 0.00 -0.44 0.00 0.00 62.40 63.01 2wsf h SER 622 CO -0.06 0.18 -0.61 -1.81 -0.53 0.00 0.00 176.83 174.00 2wsf s ASP 623 N -5.37 0.81 0.19 6.23 1.11 0.15 -2.93 116.67 116.85 2wsf s ASP 623 Ca -0.10 -1.41 0.00 0.00 0.18 0.00 0.00 52.55 51.22 2wsf s ASP 623 Cb 0.25 0.28 0.00 0.00 1.07 0.00 0.00 42.92 44.52 2wsf s ASP 623 CO 0.80 -0.80 0.00 0.52 1.18 0.00 0.00 175.17 176.87 2wsf n VAL 624 N -0.40 0.00 -1.69 -1.27 0.31 -1.26 -3.92 118.33 110.10 2wsf n VAL 624 Ca 0.01 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.90 2wsf n VAL 624 Cb 0.66 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.55 2wsf n VAL 624 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 2wsf n TRP 625 N 0.00 2.45 -1.99 3.52 8.01 0.34 -4.68 117.44 125.10 2wsf n TRP 625 Ca 0.00 0.21 0.00 0.00 -1.31 0.00 0.00 57.50 56.40 2wsf n TRP 625 Cb 0.00 -2.58 0.00 0.00 -2.01 0.00 0.00 31.31 26.72 2wsf n TRP 625 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2wsf n GLY 626 N 3.43 -0.49 3.61 6.99 0.00 -1.26 -2.28 105.19 115.19 2wsf n GLY 626 Ca 0.16 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 2wsf n GLY 626 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wsf s THR 627 N -3.50 0.00 0.59 2.61 -1.32 -1.13 -3.67 115.64 109.22 2wsf s THR 627 Ca 0.00 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.35 2wsf s THR 627 Cb 0.00 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 2wsf s THR 627 CO 0.00 0.00 1.02 -0.51 -2.21 0.00 0.00 174.62 172.92 2wsf s ILE 628 N -0.30 4.66 0.00 5.08 2.07 -1.26 -1.99 121.20 129.47 2wsf s ILE 628 Ca -0.00 0.97 0.00 0.00 -1.41 0.00 0.00 60.65 60.21 2wsf s ILE 628 Cb -0.03 -3.83 0.00 0.00 0.13 0.00 0.00 42.46 38.73 2wsf s ILE 628 CO -0.01 -1.02 0.00 -0.46 -1.91 0.00 0.00 174.94 171.54 2wsf n ASN 629 N -2.43 0.00 -4.46 4.50 0.23 -1.26 -4.95 115.26 106.89 2wsf n ASN 629 Ca 0.06 0.00 -0.39 0.00 -0.53 0.00 0.00 54.58 53.73 2wsf n ASN 629 Cb 0.54 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.27 2wsf n ASN 629 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2wsf n ASP 630 N 0.00 -1.05 -1.43 0.53 5.75 -1.26 -0.17 116.55 118.92 2wsf n ASP 630 Ca 0.00 0.76 -0.10 0.00 -0.01 0.00 0.00 54.79 55.44 2wsf n ASP 630 Cb 0.00 -1.16 -0.04 0.00 -1.03 0.00 0.00 41.12 38.89 2wsf n ASP 630 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 2wsf n GLN 631 N 0.07 -1.35 -3.24 0.11 -0.06 -1.26 -1.58 117.38 110.07 2wsf n GLN 631 Ca 0.11 0.60 -0.18 0.00 -2.00 0.00 0.00 57.00 55.54 2wsf n GLN 631 Cb 0.46 -4.84 -0.05 0.00 -4.06 0.00 0.00 30.24 21.76 2wsf n GLN 631 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2wsf n GLY 632 N -0.26 -0.11 3.56 1.69 0.00 0.76 -4.73 105.19 106.10 2wsf n GLY 632 Ca -0.11 0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2wsf n GLY 632 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wsf s VAL 633 N -3.06 3.37 0.36 1.61 -7.23 -0.61 -4.77 120.40 110.06 2wsf s VAL 633 Ca 0.16 0.28 -0.28 0.00 -1.81 0.00 0.00 61.98 60.33 2wsf s VAL 633 Cb -0.10 -3.78 -0.11 0.00 0.56 0.00 0.00 36.38 32.95 2wsf s VAL 633 CO 0.50 -0.69 1.49 0.54 -0.31 0.00 0.00 175.10 176.63 2wsf s VAL 634 N 8.67 2.11 -0.42 1.32 0.11 -1.26 -4.46 120.40 126.47 2wsf s VAL 634 Ca 0.73 0.11 0.06 0.00 -2.93 0.00 0.00 61.98 59.95 2wsf s VAL 634 Cb -0.16 -3.07 0.21 0.00 -1.53 0.00 0.00 36.38 31.84 2wsf s VAL 634 CO 0.25 0.02 0.45 0.41 -3.33 0.00 0.00 175.10 172.90 2wsf n THR 635 N 0.76 -0.78 -1.57 5.04 -1.04 -0.84 -4.89 114.28 110.96 2wsf n THR 635 Ca 0.02 -3.81 -0.38 0.00 -2.04 0.00 0.00 64.05 57.84 2wsf n THR 635 Cb 0.39 -1.83 0.04 0.00 -1.82 0.00 0.00 70.33 67.11 2wsf n THR 635 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2wsf n HIS 636 N 2.05 0.49 0.18 -1.42 8.25 -1.26 -2.82 115.22 120.68 2wsf n HIS 636 Ca 0.25 0.46 0.10 0.00 -0.26 0.00 0.00 57.72 58.28 2wsf n HIS 636 Cb 0.50 -2.11 0.25 0.00 1.12 0.00 0.00 29.99 29.75 2wsf n HIS 636 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2wsf h ILE 637 N 0.62 0.02 -1.74 1.59 2.04 -1.50 -2.98 117.51 115.56 2wsf h ILE 637 Ca -0.47 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.27 2wsf h ILE 637 Cb 1.37 0.11 -0.28 0.00 -0.74 0.00 0.00 36.82 37.28 2wsf h ILE 637 CO 0.51 0.00 -0.45 0.28 0.00 0.00 0.00 178.15 178.48 2wsf s THR 638 N -4.15 -0.67 -0.41 -0.27 -1.32 -1.20 -4.99 115.64 102.63 2wsf s THR 638 Ca -0.01 -0.08 -0.38 0.00 -1.21 0.00 0.00 61.69 60.01 2wsf s THR 638 Cb 0.05 -0.86 -0.16 0.00 -1.51 0.00 0.00 72.50 70.03 2wsf s THR 638 CO 0.18 -0.12 1.47 0.00 -2.21 0.00 0.00 174.62 173.94 2wsf n ALA 639 N 5.37 -0.66 -0.74 11.08 0.00 -1.13 -4.11 120.51 130.32 2wsf n ALA 639 Ca -0.03 0.32 -0.09 0.00 0.00 0.00 0.00 53.44 53.64 2wsf n ALA 639 Cb 0.50 -1.62 -0.10 0.00 0.00 0.00 0.00 19.45 18.23 2wsf n ALA 639 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wsf n GLY 640 N 4.29 -0.21 0.09 0.00 0.00 -1.15 -4.71 105.19 103.50 2wsf n GLY 640 Ca 0.32 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 2wsf n GLY 640 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2wsf h ASN 641 N 5.61 0.26 -0.53 1.61 -0.00 -1.78 -3.31 115.58 117.45 2wsf h ASN 641 Ca 0.02 -0.26 0.05 0.00 -0.00 0.00 0.00 56.30 56.10 2wsf h ASN 641 Cb 0.58 -0.08 -0.06 0.00 -0.00 0.00 0.00 38.32 38.76 2wsf h ASN 641 CO 0.80 1.18 -0.30 0.33 -0.00 0.00 0.00 177.43 179.44 2wsf n PHE 642 N -3.50 -0.21 0.00 4.14 7.35 -1.26 -4.00 117.46 119.98 2wsf n PHE 642 Ca -0.05 0.66 0.00 0.00 -0.76 0.00 0.00 57.45 57.30 2wsf n PHE 642 Cb 0.96 -0.56 0.00 0.00 0.35 0.00 0.00 39.48 40.23 2wsf n PHE 642 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wsf n ALA 643 N -3.62 0.00 -1.11 3.13 0.00 -1.25 -0.05 120.51 117.61 2wsf n ALA 643 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.51 2wsf n ALA 643 Cb 0.14 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.68 2wsf n ALA 643 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wsf n GLN 644 N 0.00 1.19 -0.17 0.00 1.13 -1.26 -4.48 117.38 113.79 2wsf n GLN 644 Ca 0.00 -2.00 0.00 0.00 -1.94 0.00 0.00 57.00 53.06 2wsf n GLN 644 Cb 0.00 -1.17 0.00 0.00 0.11 0.00 0.00 30.24 29.18 2wsf n GLN 644 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2wsf n SER 645 N -0.94 0.00 -0.00 1.08 3.41 0.93 -4.54 113.62 113.55 2wsf n SER 645 Ca 0.10 -1.27 0.06 0.00 -0.26 0.00 0.00 58.87 57.50 2wsf n SER 645 Cb 0.59 -0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 64.40 2wsf n SER 645 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2wsf n SER 646 N 0.00 1.76 0.00 4.04 7.64 -1.07 -4.15 113.62 121.83 2wsf n SER 646 Ca 0.00 -0.19 0.06 0.00 1.01 0.00 0.00 58.87 59.75 2wsf n SER 646 Cb 0.55 1.43 0.38 0.00 -1.01 0.00 0.00 64.21 65.57 2wsf n SER 646 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2wsf n ILE 647 N -1.78 0.00 0.17 0.44 -6.64 -1.26 -2.75 119.36 107.53 2wsf n ILE 647 Ca -0.01 0.00 0.02 0.00 -1.77 0.00 0.00 62.75 60.99 2wsf n ILE 647 Cb 0.29 -0.78 -0.01 0.00 -1.44 0.00 0.00 39.64 37.70 2wsf n ILE 647 CO 0.00 0.00 0.00 1.07 -1.77 0.00 0.00 176.55 175.85 2wsf n THR 648 N -0.99 0.00 -0.27 7.28 5.66 -1.26 -4.69 114.28 120.01 2wsf n THR 648 Ca 0.10 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 2wsf n THR 648 Cb 0.04 1.02 0.00 0.00 -1.55 0.00 0.00 70.33 69.84 2wsf n THR 648 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wsf n ILE 649 N -0.78 0.00 -0.11 1.09 3.06 -1.11 -4.29 119.36 117.22 2wsf n ILE 649 Ca 0.01 0.00 -0.17 0.00 -2.50 0.00 0.00 62.75 60.09 2wsf n ILE 649 Cb 0.07 -0.27 -0.10 0.00 0.54 0.00 0.00 39.64 39.87 2wsf n ILE 649 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 2wsf n ASN 650 N 0.00 2.18 -0.17 9.51 2.85 -1.26 -4.11 115.26 124.26 2wsf n ASN 650 Ca 0.00 -0.06 0.29 0.00 -0.11 0.00 0.00 54.58 54.70 2wsf n ASN 650 Cb 0.00 -0.40 0.70 0.00 1.24 0.00 0.00 39.78 41.31 2wsf n ASN 650 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 2wsf h GLY 651 N 1.37 0.00 2.00 8.20 0.00 -1.75 3.14 103.07 116.03 2wsf h GLY 651 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.81 2wsf h GLY 651 CO -0.12 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.21 2wsf n TRP 652 N -3.85 0.00 0.00 5.60 7.02 -1.26 0.26 117.44 125.21 2wsf n TRP 652 Ca 0.19 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.67 2wsf n TRP 652 Cb 1.09 -0.50 0.00 0.00 -2.42 0.00 0.00 31.31 29.48 2wsf n TRP 652 CO 0.00 0.00 0.00 1.47 -2.02 0.00 0.00 177.69 177.14 2wsf n LEU 653 N -1.50 0.00 0.26 -0.99 -0.00 0.82 -3.14 117.00 112.46 2wsf n LEU 653 Ca 0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.95 2wsf n LEU 653 Cb 0.18 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.55 2wsf n LEU 653 CO 0.14 0.00 0.52 0.08 -0.00 0.00 0.00 177.39 178.13 2wsf h ARG 654 N 0.00 -0.63 0.00 1.47 -0.00 0.45 0.40 114.38 116.07 2wsf h ARG 654 Ca 0.00 0.04 -0.08 0.00 -0.00 0.00 0.00 59.98 59.95 2wsf h ARG 654 Cb 0.17 0.14 -0.01 0.00 -0.00 0.00 0.00 29.97 30.28 2wsf h ARG 654 CO 0.00 -0.42 -0.36 -0.44 -0.00 0.00 0.00 179.97 178.75 2wsf h ASP 655 N -0.66 0.00 0.00 0.08 5.19 0.35 -2.98 116.42 118.40 2wsf h ASP 655 Ca -0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2wsf h ASP 655 Cb 0.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.01 2wsf h ASP 655 CO 0.11 0.36 0.00 0.33 -3.12 0.00 0.00 179.24 176.92 2wsf n PHE 656 N -3.23 0.00 0.00 4.55 7.35 -0.97 -4.32 117.46 120.84 2wsf n PHE 656 Ca 0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 2wsf n PHE 656 Cb 0.64 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.47 2wsf n PHE 656 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2wsf n LEU 657 N 0.00 0.00 0.06 -2.13 4.32 -1.19 0.20 117.00 118.26 2wsf n LEU 657 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.89 2wsf n LEU 657 Cb 0.00 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 41.67 2wsf n LEU 657 CO 0.00 0.00 -0.07 -0.25 -1.22 0.00 0.00 177.39 175.85 2wsf h TRP 658 N 0.00 0.16 0.00 -1.77 7.01 -0.39 -3.40 115.95 117.56 2wsf h TRP 658 Ca 0.00 -0.12 0.00 0.00 2.11 0.00 0.00 58.89 60.88 2wsf h TRP 658 Cb 0.00 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.05 2wsf h TRP 658 CO 0.00 1.11 0.00 0.00 -2.79 0.00 0.00 178.44 176.76 2wsf n ALA 659 N -2.46 -0.03 -1.77 2.65 0.00 0.53 -4.32 120.51 115.12 2wsf n ALA 659 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.98 2wsf n ALA 659 Cb 0.99 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.40 2wsf n ALA 659 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2wsf s GLN 660 N -0.73 4.38 0.00 0.00 0.00 -0.88 -3.06 119.66 119.37 2wsf s GLN 660 Ca 0.00 1.79 0.00 0.00 -0.00 0.00 0.00 55.36 57.15 2wsf s GLN 660 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 33.01 30.08 2wsf s GLN 660 CO 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 175.29 175.27 2wsf n ALA 661 N 0.63 0.00 0.27 2.60 0.00 -1.26 -3.95 120.51 118.80 2wsf n ALA 661 Ca 0.01 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.64 2wsf n ALA 661 Cb 0.46 0.00 0.91 0.00 0.00 0.00 0.00 19.45 20.82 2wsf n ALA 661 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2wsf h SER 662 N 0.86 0.00 1.60 0.00 0.02 -1.73 0.36 113.55 114.66 2wsf h SER 662 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2wsf h SER 662 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2wsf h SER 662 CO 0.00 0.00 -0.41 1.56 -1.14 0.00 0.00 176.83 176.84 2wsf h GLN 663 N 0.00 0.00 0.14 3.45 7.50 -1.82 -3.00 115.11 121.39 2wsf h GLN 663 Ca 0.05 0.00 -0.30 0.00 0.50 0.00 0.00 58.65 58.90 2wsf h GLN 663 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.02 2wsf h GLN 663 CO -0.00 0.17 -1.43 -0.39 -1.50 0.00 0.00 178.83 175.68 2wsf h VAL 664 N 0.00 1.29 -0.09 -0.54 -1.51 -0.60 -3.19 116.25 111.61 2wsf h VAL 664 Ca -0.01 -2.87 0.00 0.00 -1.23 0.00 0.00 66.70 62.58 2wsf h VAL 664 Cb 1.16 2.87 0.00 0.00 -2.13 0.00 0.00 31.29 33.19 2wsf h VAL 664 CO 0.02 0.85 0.00 2.30 -1.23 0.00 0.00 177.57 179.51 2wsf n ILE 665 N -3.53 0.10 0.71 7.19 -6.64 -0.07 -3.08 119.36 114.05 2wsf n ILE 665 Ca -0.14 -0.36 0.07 0.00 -1.77 0.00 0.00 62.75 60.55 2wsf n ILE 665 Cb 1.05 0.66 -0.07 0.00 -1.44 0.00 0.00 39.64 39.83 2wsf n ILE 665 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2wsf n GLN 666 N 0.51 1.95 0.00 6.28 3.00 -1.13 -4.80 117.38 123.20 2wsf n GLN 666 Ca 0.17 -0.14 0.08 0.00 -0.01 0.00 0.00 57.00 57.11 2wsf n GLN 666 Cb 0.41 -1.22 0.49 0.00 0.00 0.00 0.00 30.24 29.92 2wsf n GLN 666 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2wsf n SER 667 N -1.15 0.00 -4.76 1.08 2.88 -1.18 -4.83 113.62 105.67 2wsf n SER 667 Ca 0.03 -0.48 -0.40 0.00 -1.33 0.00 0.00 58.87 56.69 2wsf n SER 667 Cb 0.25 -0.02 -0.04 0.00 -0.75 0.00 0.00 64.21 63.65 2wsf n SER 667 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2wsf s TYR 668 N -2.04 3.54 0.00 0.66 4.12 -1.26 -3.68 117.35 118.68 2wsf s TYR 668 Ca 0.24 1.66 0.00 0.00 0.02 0.00 0.00 57.07 58.99 2wsf s TYR 668 Cb 0.11 -3.32 0.00 0.00 -1.52 0.00 0.00 41.96 37.24 2wsf s TYR 668 CO 0.20 -0.68 0.00 0.41 0.02 0.00 0.00 175.55 175.50 2wsf n GLY 669 N 1.29 0.70 0.00 0.71 0.00 -1.26 -5.01 105.19 101.62 2wsf n GLY 669 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2wsf n GLY 669 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wsf n SER 670 N 1.60 0.00 0.00 1.61 7.64 -1.26 -5.09 113.62 118.13 2wsf n SER 670 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2wsf n SER 670 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 2wsf n SER 670 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2wsf n SER 671 N 0.00 0.00 -0.04 6.43 2.88 -1.03 -4.65 113.62 117.20 2wsf n SER 671 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 2wsf n SER 671 Cb 0.00 0.02 -0.13 0.00 -0.75 0.00 0.00 64.21 63.35 2wsf n SER 671 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 2wsf h LEU 672 N 0.00 0.22 0.00 2.46 -0.00 -1.84 -3.36 115.31 112.79 2wsf h LEU 672 Ca 0.00 -0.74 0.00 0.00 -0.00 0.00 0.00 57.88 57.14 2wsf h LEU 672 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.59 2wsf h LEU 672 CO 0.00 1.61 0.00 -0.24 -0.00 0.00 0.00 178.44 179.81 2wsf n SER 673 N -4.04 0.00 0.12 0.17 2.88 -1.24 -1.79 113.62 109.73 2wsf n SER 673 Ca -0.29 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.34 2wsf n SER 673 Cb 0.84 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 64.76 2wsf n SER 673 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wsf n ALA 674 N 0.00 1.13 -0.07 -1.46 0.00 -1.26 -0.05 120.51 118.79 2wsf n ALA 674 Ca 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 2wsf n ALA 674 Cb 0.00 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.13 2wsf n ALA 674 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2wsf h TYR 675 N 0.00 0.00 -0.80 0.00 0.05 -1.68 -1.67 116.97 112.87 2wsf h TYR 675 Ca 0.00 0.00 0.12 0.00 0.05 0.00 0.00 58.73 58.90 2wsf h TYR 675 Cb 0.05 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 37.71 2wsf h TYR 675 CO 0.00 0.55 0.41 0.78 -1.05 0.00 0.00 178.16 178.85 2wsf h GLY 676 N -1.00 1.27 2.00 3.88 0.00 -1.70 0.72 103.07 108.24 2wsf h GLY 676 Ca -0.08 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2wsf h GLY 676 CO -0.05 0.01 0.00 -0.10 0.00 0.00 0.00 176.54 176.40 2wsf n LEU 677 N -4.86 0.59 -0.04 3.11 -0.00 0.92 -2.92 117.00 113.80 2wsf n LEU 677 Ca 0.15 0.61 -0.02 0.00 -0.00 0.00 0.00 56.01 56.75 2wsf n LEU 677 Cb 0.37 -0.50 -0.01 0.00 -0.00 0.00 0.00 43.42 43.28 2wsf n LEU 677 CO 0.23 -0.39 -0.14 -0.26 -0.00 0.00 0.00 177.39 176.83 2wsf h PHE 678 N 0.00 0.00 0.00 1.96 -1.00 0.04 -3.40 116.94 114.54 2wsf h PHE 678 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2wsf h PHE 678 Cb 0.46 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.02 2wsf h PHE 678 CO 0.00 0.00 0.25 0.34 -1.61 0.00 0.00 178.31 177.29 2wsf n PHE 679 N -3.98 0.00 -0.09 -0.55 7.35 0.23 0.79 117.46 121.21 2wsf n PHE 679 Ca -0.03 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.54 2wsf n PHE 679 Cb 0.10 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 39.88 2wsf n PHE 679 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2wsf n LEU 680 N -0.76 1.87 -4.66 -2.13 7.99 -1.18 -4.05 117.00 114.08 2wsf n LEU 680 Ca 0.00 0.47 -0.30 0.00 -0.01 0.00 0.00 56.01 56.17 2wsf n LEU 680 Cb 0.25 -0.85 0.17 0.00 -0.11 0.00 0.00 43.42 42.88 2wsf n LEU 680 CO 0.00 -0.14 0.65 -0.83 -1.51 0.00 0.00 177.39 175.57 2wsf s GLY 681 N -4.71 1.65 0.00 -0.72 0.00 0.24 -0.99 107.32 102.78 2wsf s GLY 681 Ca -0.25 0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.80 2wsf s GLY 681 CO 0.38 0.79 0.00 0.00 0.00 0.00 0.00 173.10 174.28 2wsf n ALA 682 N -4.20 0.00 -0.09 3.20 0.00 -1.26 -4.00 120.51 114.17 2wsf n ALA 682 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.65 2wsf n ALA 682 Cb 0.53 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.26 2wsf n ALA 682 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2wsf n HIS 683 N -0.90 0.80 -0.03 0.00 -0.00 -1.10 -3.76 115.22 110.23 2wsf n HIS 683 Ca 0.00 -0.40 -0.06 0.00 -0.00 0.00 0.00 57.72 57.26 2wsf n HIS 683 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 29.97 2wsf n HIS 683 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2wsf n PHE 684 N 1.60 0.00 -0.20 1.57 -0.00 -0.17 -4.54 117.46 115.72 2wsf n PHE 684 Ca 0.23 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.63 2wsf n PHE 684 Cb 0.62 -0.22 0.06 0.00 -0.00 0.00 0.00 39.48 39.94 2wsf n PHE 684 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.76 176.52 2wsf h VAL 685 N -0.17 1.05 -0.01 -2.13 3.04 -1.83 0.64 116.25 116.84 2wsf h VAL 685 Ca -0.15 -0.24 0.03 0.00 -1.01 0.00 0.00 66.70 65.33 2wsf h VAL 685 Cb 1.15 0.29 -0.06 0.00 -2.01 0.00 0.00 31.29 30.66 2wsf h VAL 685 CO -0.08 0.13 -0.44 -0.25 -1.01 0.00 0.00 177.57 175.91 2wsf h TRP 686 N 0.69 -1.27 0.00 3.17 7.01 -1.78 -2.02 115.95 121.76 2wsf h TRP 686 Ca 0.25 0.04 -0.18 0.00 2.11 0.00 0.00 58.89 61.11 2wsf h TRP 686 Cb 0.05 0.56 -0.04 0.00 -2.10 0.00 0.00 29.16 27.63 2wsf h TRP 686 CO -0.06 -0.51 0.19 0.00 -2.79 0.00 0.00 178.44 175.26 2wsf n ALA 687 N -2.90 5.03 0.00 2.65 0.00 0.19 0.02 120.51 125.49 2wsf n ALA 687 Ca -0.06 -1.47 0.00 0.00 0.00 0.00 0.00 53.44 51.91 2wsf n ALA 687 Cb 0.38 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.44 2wsf n ALA 687 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2wsf n PHE 688 N 2.77 0.00 -0.17 0.00 7.35 -0.79 -4.89 117.46 121.73 2wsf n PHE 688 Ca 0.34 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.95 2wsf n PHE 688 Cb 0.62 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.46 2wsf n PHE 688 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 2wsf h SER 689 N 0.00 0.65 -0.98 -2.13 0.02 -0.05 -2.73 113.55 108.32 2wsf h SER 689 Ca 0.00 -0.12 0.17 0.00 -0.84 0.00 0.00 61.79 61.00 2wsf h SER 689 Cb 0.00 -0.17 -0.09 0.00 0.14 0.00 0.00 62.40 62.28 2wsf h SER 689 CO 0.00 0.59 0.61 -0.07 -1.14 0.00 0.00 176.83 176.82 2wsf h LEU 690 N 0.66 0.77 -0.56 5.07 3.38 -1.89 1.08 115.31 123.82 2wsf h LEU 690 Ca 0.17 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.28 2wsf h LEU 690 Cb 0.10 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2wsf h LEU 690 CO -0.02 0.33 0.26 -0.03 0.09 0.00 0.00 178.44 179.07 2wsf h MET 691 N 0.78 0.48 -0.09 1.13 1.85 -1.84 1.77 114.93 119.02 2wsf h MET 691 Ca 0.53 -0.03 -0.19 0.00 -0.61 0.00 0.00 59.70 59.40 2wsf h MET 691 Cb 0.80 -0.11 -0.00 0.00 0.43 0.00 0.00 31.60 32.72 2wsf h MET 691 CO -0.31 0.32 -0.75 0.74 -0.40 0.00 0.00 176.91 176.52 2wsf h PHE 692 N 0.50 0.63 -0.14 1.39 0.04 -0.37 -3.32 116.94 115.66 2wsf h PHE 692 Ca 0.26 -0.28 -0.11 0.00 2.80 0.00 0.00 57.97 60.64 2wsf h PHE 692 Cb 0.22 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.28 2wsf h PHE 692 CO -0.12 1.05 -0.33 -0.07 -0.60 0.00 0.00 178.31 178.24 2wsf h LEU 693 N 0.31 0.53 -1.72 1.54 3.38 0.17 -3.40 115.31 116.12 2wsf h LEU 693 Ca -0.04 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2wsf h LEU 693 Cb 1.33 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2wsf h LEU 693 CO 0.13 1.01 0.00 0.49 0.09 0.00 0.00 178.44 180.16 2wsf n PHE 694 N -4.36 0.66 -4.40 1.13 0.99 0.60 -4.99 117.46 107.08 2wsf n PHE 694 Ca -0.07 -0.31 -0.21 0.00 -0.00 0.00 0.00 57.45 56.86 2wsf n PHE 694 Cb 0.49 -0.04 -0.10 0.00 -1.00 0.00 0.00 39.48 38.84 2wsf n PHE 694 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2wsf s SER 695 N -0.95 2.83 0.00 4.37 0.15 -1.25 -5.02 113.70 113.83 2wsf s SER 695 Ca 0.30 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 55.85 2wsf s SER 695 Cb 0.16 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 2wsf s SER 695 CO 0.19 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.03 2wsf n GLY 696 N -0.51 -1.42 2.05 9.45 0.00 -1.26 -5.07 105.19 108.42 2wsf n GLY 696 Ca -0.06 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2wsf n GLY 696 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wsf n ARG 697 N 0.00 0.00 0.00 1.61 0.00 -1.26 -4.76 116.66 112.25 2wsf n ARG 697 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.90 2wsf n ARG 697 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 32.46 32.73 2wsf n ARG 697 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wsf n GLY 698 N -1.16 -0.31 0.17 5.14 0.00 -1.26 -2.70 105.19 105.07 2wsf n GLY 698 Ca 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 2wsf n GLY 698 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2wsf h TYR 699 N 0.00 -0.35 0.00 1.61 5.03 -1.99 0.14 116.97 121.41 2wsf h TYR 699 Ca 0.00 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.30 2wsf h TYR 699 Cb 0.00 0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.40 2wsf h TYR 699 CO 0.00 -0.22 0.00 -1.49 -1.32 0.00 0.00 178.16 175.13 2wsf h TRP 700 N -0.82 0.00 0.00 -3.82 4.06 -1.85 0.20 115.95 113.72 2wsf h TRP 700 Ca -0.04 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.91 2wsf h TRP 700 Cb 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.45 2wsf h TRP 700 CO 0.03 0.00 0.00 1.04 -3.56 0.00 0.00 178.44 175.95 2wsf n GLN 701 N -2.47 0.00 -0.29 0.49 1.13 -1.10 0.23 117.38 115.37 2wsf n GLN 701 Ca 0.01 0.14 0.26 0.00 -1.94 0.00 0.00 57.00 55.48 2wsf n GLN 701 Cb 0.23 -1.08 0.46 0.00 0.11 0.00 0.00 30.24 29.96 2wsf n GLN 701 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2wsf n GLU 702 N -0.93 -0.03 -0.04 -1.09 1.02 0.47 0.26 120.64 120.30 2wsf n GLU 702 Ca 0.00 0.94 -0.14 0.00 -0.02 0.00 0.00 57.16 57.94 2wsf n GLU 702 Cb 0.00 -1.78 -0.11 0.00 -0.02 0.00 0.00 31.44 29.53 2wsf n GLU 702 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2wsf h LEU 703 N 0.00 0.12 -2.38 -4.62 7.12 -0.75 -3.32 115.31 111.47 2wsf h LEU 703 Ca 0.62 -0.75 0.00 0.00 0.13 0.00 0.00 57.88 57.89 2wsf h LEU 703 Cb 1.85 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 41.95 2wsf h LEU 703 CO -0.43 0.85 0.20 -0.29 -0.13 0.00 0.00 178.44 178.64 2wsf h ILE 704 N -0.61 0.02 0.07 4.05 2.10 0.81 -1.70 117.51 122.26 2wsf h ILE 704 Ca -0.01 0.00 -0.23 0.00 1.08 0.00 0.00 64.86 65.70 2wsf h ILE 704 Cb 0.87 0.80 -0.01 0.00 -1.09 0.00 0.00 36.82 37.38 2wsf h ILE 704 CO 0.02 0.00 -1.21 -0.08 -1.08 0.00 0.00 178.15 175.81 2wsf h GLU 705 N 0.00 0.15 -0.81 2.19 4.57 -1.52 -0.72 114.58 118.44 2wsf h GLU 705 Ca 0.01 -0.26 0.14 0.00 -1.18 0.00 0.00 59.36 58.07 2wsf h GLU 705 Cb 0.41 0.10 -0.14 0.00 -0.16 0.00 0.00 28.75 28.95 2wsf h GLU 705 CO -0.00 1.12 -0.32 0.77 -1.18 0.00 0.00 179.01 179.40 2wsf h SER 706 N -0.56 -1.16 -0.15 1.04 0.02 -1.42 2.39 113.55 113.72 2wsf h SER 706 Ca -0.28 0.27 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2wsf h SER 706 Cb 1.55 0.63 -0.03 0.00 0.14 0.00 0.00 62.40 64.69 2wsf h SER 706 CO -0.02 -0.29 -0.23 0.40 -1.14 0.00 0.00 176.83 175.55 2wsf h ILE 707 N -0.06 0.00 -1.00 3.27 1.08 -1.60 -2.03 117.51 117.18 2wsf h ILE 707 Ca 0.32 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 65.02 2wsf h ILE 707 Cb 0.59 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.24 2wsf h ILE 707 CO -0.85 0.00 0.63 0.58 -0.69 0.00 0.00 178.15 177.82 2wsf h VAL 708 N -0.17 0.62 0.00 1.67 2.07 0.24 0.25 116.25 120.92 2wsf h VAL 708 Ca 0.03 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2wsf h VAL 708 Cb 0.25 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2wsf h VAL 708 CO -0.23 0.10 0.00 1.87 0.02 0.00 0.00 177.57 179.33 2wsf n TRP 709 N -4.69 0.00 -0.38 1.57 -0.00 0.73 -1.45 117.44 113.22 2wsf n TRP 709 Ca 0.24 0.00 0.31 0.00 -0.00 0.00 0.00 57.50 58.05 2wsf n TRP 709 Cb 0.72 -0.48 0.61 0.00 -0.00 0.00 0.00 31.31 32.16 2wsf n TRP 709 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2wsf h ALA 710 N -1.85 2.60 0.10 5.87 0.00 -0.35 0.96 119.26 126.58 2wsf h ALA 710 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2wsf h ALA 710 Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2wsf h ALA 710 CO 0.00 -1.09 -0.34 0.45 0.00 0.00 0.00 179.25 178.27 2wsf h HIS 711 N 0.21 -0.94 -0.14 0.00 3.86 -0.90 -3.16 115.15 114.07 2wsf h HIS 711 Ca 0.68 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.89 2wsf h HIS 711 Cb 2.08 0.40 -0.01 0.00 1.06 0.00 0.00 27.41 30.94 2wsf h HIS 711 CO -0.00 -0.44 -0.03 -0.91 0.86 0.00 0.00 177.93 177.41 2wsf h ASN 712 N -0.55 0.19 -0.24 2.45 4.21 0.21 -1.45 115.58 120.40 2wsf h ASN 712 Ca 0.04 -0.02 0.02 0.00 1.21 0.00 0.00 56.30 57.54 2wsf h ASN 712 Cb 0.60 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.72 2wsf h ASN 712 CO -0.22 0.25 0.10 0.11 -1.29 0.00 0.00 177.43 176.38 2wsf h LYS 713 N 0.21 0.21 0.00 0.81 1.79 -1.45 0.13 116.57 118.26 2wsf h LYS 713 Ca 0.05 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2wsf h LYS 713 Cb 0.19 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2wsf h LYS 713 CO 0.01 0.14 0.00 1.28 -1.08 0.00 0.00 179.45 179.79 2wsf n LEU 714 N -5.02 0.00 -2.48 2.94 4.77 -1.18 -4.93 117.00 111.10 2wsf n LEU 714 Ca -0.02 0.50 -0.02 0.00 -0.03 0.00 0.00 56.01 56.44 2wsf n LEU 714 Cb 0.07 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 2wsf n LEU 714 CO 0.30 -0.16 0.17 0.29 -1.33 0.00 0.00 177.39 176.66 2wsf n LYS 715 N -1.50 -1.06 0.00 3.23 5.02 0.45 -5.06 118.16 119.25 2wsf n LYS 715 Ca 0.05 1.27 0.00 0.00 -2.02 0.00 0.00 58.31 57.61 2wsf n LYS 715 Cb 0.23 -4.27 0.00 0.00 -0.02 0.00 0.00 35.03 30.97 2wsf n LYS 715 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2wsf n VAL 716 N -1.17 0.00 0.00 -0.18 0.24 -0.56 -5.00 118.33 111.66 2wsf n VAL 716 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 2wsf n VAL 716 Cb 0.44 1.37 0.00 0.00 -1.47 0.00 0.00 33.84 34.18 2wsf n VAL 716 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wsf n ALA 717 N 0.00 2.22 -0.06 2.33 0.00 -1.26 -4.95 120.51 118.79 2wsf n ALA 717 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 2wsf n ALA 717 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.77 2wsf n ALA 717 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wsf n PRO 718 N -1.74 -0.06 -1.59 0.00 -0.02 -1.26 -4.75 135.00 125.58 2wsf n PRO 718 Ca 0.00 0.22 -0.60 0.00 -2.02 0.00 0.00 63.50 61.10 2wsf n PRO 718 Cb 0.00 -0.33 -0.08 0.00 -0.02 0.00 0.00 33.50 33.07 2wsf n PRO 718 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wsf n ALA 719 N -3.89 -2.49 -2.29 3.55 0.00 -1.26 -2.79 120.51 111.34 2wsf n ALA 719 Ca 0.00 0.55 -0.04 0.00 0.00 0.00 0.00 53.44 53.96 2wsf n ALA 719 Cb 0.04 -1.87 0.02 0.00 0.00 0.00 0.00 19.45 17.63 2wsf n ALA 719 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wsf n THR 720 N 2.45 -5.13 -0.57 0.00 -1.04 -1.26 -4.78 114.28 103.95 2wsf n THR 720 Ca 0.23 -0.38 -0.12 0.00 -2.04 0.00 0.00 64.05 61.74 2wsf n THR 720 Cb 0.07 -4.91 -0.07 0.00 -1.82 0.00 0.00 70.33 63.60 2wsf n THR 720 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wsf n GLN 721 N -1.85 0.00 -1.70 -2.82 1.13 -1.12 -4.48 117.38 106.55 2wsf n GLN 721 Ca -0.02 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.61 2wsf n GLN 721 Cb 0.53 -0.47 -0.03 0.00 0.11 0.00 0.00 30.24 30.38 2wsf n GLN 721 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 2wsf n PRO 722 N 2.62 2.65 -4.08 -1.09 -0.02 -1.26 -3.07 135.00 130.75 2wsf n PRO 722 Ca 0.25 0.96 -0.12 0.00 -2.02 0.00 0.00 63.50 62.57 2wsf n PRO 722 Cb 0.03 -2.80 -0.11 0.00 -0.02 0.00 0.00 33.50 30.60 2wsf n PRO 722 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2wsf s ARG 723 N 1.56 0.57 1.06 -0.52 6.06 -1.26 -4.99 118.95 121.42 2wsf s ARG 723 Ca 0.78 -0.89 -0.18 0.00 -2.50 0.00 0.00 55.73 52.94 2wsf s ARG 723 Cb -0.54 -0.19 0.26 0.00 0.06 0.00 0.00 34.95 34.53 2wsf s ARG 723 CO 0.35 0.01 1.12 0.00 -2.50 0.00 0.00 175.30 174.28 2wsf n ALA 724 N 1.08 -2.49 -2.09 6.12 0.00 -1.26 -4.91 120.51 116.97 2wsf n ALA 724 Ca -0.20 -1.57 -0.38 0.00 0.00 0.00 0.00 53.44 51.29 2wsf n ALA 724 Cb 0.56 -0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.86 2wsf n ALA 724 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wsf s LEU 725 N 0.00 4.49 -0.95 0.00 1.02 -1.26 -4.90 118.68 117.07 2wsf s LEU 725 Ca 0.68 1.48 -0.22 0.00 0.02 0.00 0.00 54.13 56.09 2wsf s LEU 725 Cb -0.05 -3.32 -0.13 0.00 0.02 0.00 0.00 46.19 42.72 2wsf s LEU 725 CO 0.50 0.16 1.92 -1.20 0.02 0.00 0.00 176.35 177.75 2wsf n SER 726 N 1.29 2.80 0.00 2.29 7.64 -1.26 -4.57 113.62 121.81 2wsf n SER 726 Ca -0.05 -2.69 0.00 0.00 1.01 0.00 0.00 58.87 57.13 2wsf n SER 726 Cb 0.50 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 2wsf n SER 726 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2wsf n ILE 727 N 6.77 0.00 0.13 0.44 2.08 -1.26 0.97 119.36 128.49 2wsf n ILE 727 Ca 0.48 0.00 0.08 0.00 0.56 0.00 0.00 62.75 63.87 2wsf n ILE 727 Cb 0.43 0.00 0.03 0.00 -0.75 0.00 0.00 39.64 39.35 2wsf n ILE 727 CO 0.00 0.00 0.00 1.62 0.56 0.00 0.00 176.55 178.73 2wsf h VAL 728 N 0.00 0.20 -0.67 1.39 3.04 -1.95 -3.09 116.25 115.18 2wsf h VAL 728 Ca 0.00 -1.34 -0.02 0.00 -1.01 0.00 0.00 66.70 64.32 2wsf h VAL 728 Cb 0.00 1.85 -0.03 0.00 -2.01 0.00 0.00 31.29 31.10 2wsf h VAL 728 CO 0.00 0.12 0.32 -0.61 -1.01 0.00 0.00 177.57 176.39 2wsf h GLN 729 N 0.00 0.96 -0.66 4.17 4.15 0.29 0.27 115.11 124.29 2wsf h GLN 729 Ca -0.03 -0.14 0.10 0.00 0.77 0.00 0.00 58.65 59.35 2wsf h GLN 729 Cb 1.16 -0.17 -0.08 0.00 0.21 0.00 0.00 27.48 28.60 2wsf h GLN 729 CO 0.02 0.77 0.27 0.78 -1.93 0.00 0.00 178.83 178.73 2wsf h GLY 730 N 0.93 0.96 1.03 2.39 0.00 -1.69 0.59 103.07 107.28 2wsf h GLY 730 Ca 0.23 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.33 2wsf h GLY 730 CO -0.03 -0.02 0.01 3.21 0.00 0.00 0.00 176.54 179.71 2wsf h ARG 731 N 0.45 0.93 -0.99 4.80 3.08 -1.40 -0.83 114.38 120.42 2wsf h ARG 731 Ca 0.34 -0.29 0.14 0.00 0.07 0.00 0.00 59.98 60.24 2wsf h ARG 731 Cb 0.43 -0.09 -0.09 0.00 0.08 0.00 0.00 29.97 30.31 2wsf h ARG 731 CO -0.32 0.94 0.62 0.00 -1.07 0.00 0.00 179.97 180.14 2wsf h ALA 732 N 0.95 1.59 -0.18 0.04 0.00 0.32 0.16 119.26 122.15 2wsf h ALA 732 Ca 0.15 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2wsf h ALA 732 Cb 0.52 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2wsf h ALA 732 CO 0.03 0.13 0.00 1.33 0.00 0.00 0.00 179.25 180.73 2wsf n VAL 733 N -4.64 0.23 0.00 0.00 0.24 0.17 -3.56 118.33 110.77 2wsf n VAL 733 Ca 0.20 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 2wsf n VAL 733 Cb 0.42 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 2wsf n VAL 733 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wsf n GLY 734 N 1.01 0.91 4.69 7.63 0.00 0.56 -4.37 105.19 115.62 2wsf n GLY 734 Ca 0.13 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2wsf n GLY 734 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wsf n VAL 735 N 0.00 0.00 -0.17 1.61 0.31 -1.25 0.45 118.33 119.28 2wsf n VAL 735 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 2wsf n VAL 735 Cb 0.00 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.01 2wsf n VAL 735 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2wsf h THR 736 N 0.00 0.64 0.45 2.52 2.02 -1.81 0.60 112.91 117.32 2wsf h THR 736 Ca 0.00 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 2wsf h THR 736 Cb 0.00 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2wsf h THR 736 CO 0.00 0.03 -0.22 0.45 0.37 0.00 0.00 175.52 176.16 2wsf h HIS 737 N 0.18 -0.56 -0.59 3.16 3.86 -0.21 -1.02 115.15 119.98 2wsf h HIS 737 Ca 0.27 -0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.64 2wsf h HIS 737 Cb 0.40 0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 2wsf h HIS 737 CO -0.28 -0.25 0.94 -0.92 0.86 0.00 0.00 177.93 178.29 2wsf h TYR 738 N -0.83 0.00 0.00 2.45 3.20 -1.56 1.13 116.97 121.36 2wsf h TYR 738 Ca -0.06 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.63 2wsf h TYR 738 Cb 0.56 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 2wsf h TYR 738 CO 0.00 0.00 -1.36 1.28 -1.64 0.00 0.00 178.16 176.44 2wsf n LEU 739 N -3.13 1.89 0.30 2.82 4.77 0.17 -2.16 117.00 121.66 2wsf n LEU 739 Ca 0.13 0.43 0.19 0.00 -0.03 0.00 0.00 56.01 56.72 2wsf n LEU 739 Cb 1.13 -0.85 0.92 0.00 -2.33 0.00 0.00 43.42 42.29 2wsf n LEU 739 CO 0.18 0.04 1.07 0.17 -1.33 0.00 0.00 177.39 177.52 2wsf h LEU 740 N -1.00 0.00 0.00 2.23 -0.00 -0.17 0.28 115.31 116.66 2wsf h LEU 740 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 2wsf h LEU 740 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.78 2wsf h LEU 740 CO -0.17 0.03 0.00 0.61 -0.00 0.00 0.00 178.44 178.91 2wsf n GLY 741 N -0.59 0.33 0.29 0.17 0.00 0.38 -3.66 105.19 102.11 2wsf n GLY 741 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 2wsf n GLY 741 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wsf h GLY 742 N 0.00 0.00 0.00 -0.02 0.00 -1.33 -2.93 103.07 98.78 2wsf h GLY 742 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wsf h GLY 742 CO 0.00 0.00 -0.12 -2.22 0.00 0.00 0.00 176.54 174.20 2wsf h ILE 743 N 0.00 0.00 -0.64 2.60 2.04 -0.63 -3.40 117.51 117.48 2wsf h ILE 743 Ca 0.00 -0.28 0.19 0.00 1.00 0.00 0.00 64.86 65.77 2wsf h ILE 743 Cb 1.58 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 2wsf h ILE 743 CO 0.00 0.00 0.48 0.00 0.00 0.00 0.00 178.15 178.63 2wsf h ALA 744 N -1.72 2.57 -0.83 1.87 0.00 -1.59 0.58 119.26 120.15 2wsf h ALA 744 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.02 2wsf h ALA 744 Cb 0.12 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 17.82 2wsf h ALA 744 CO 0.00 -0.80 -0.31 0.25 0.00 0.00 0.00 179.25 178.39 2wsf n THR 745 N -4.27 -0.43 0.13 0.00 -2.24 -1.17 0.02 114.28 106.32 2wsf n THR 745 Ca 0.12 1.94 -0.23 0.00 -2.27 0.00 0.00 64.05 63.62 2wsf n THR 745 Cb 0.73 -2.58 -0.15 0.00 -2.10 0.00 0.00 70.33 66.23 2wsf n THR 745 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2wsf h THR 746 N 0.00 1.31 -1.52 4.28 2.02 -0.05 0.18 112.91 119.14 2wsf h THR 746 Ca 0.30 -2.69 0.45 0.00 0.77 0.00 0.00 66.41 65.23 2wsf h THR 746 Cb 0.51 2.94 -0.07 0.00 -1.74 0.00 0.00 68.15 69.79 2wsf h THR 746 CO -0.83 0.81 1.08 -0.25 0.37 0.00 0.00 175.52 176.70 2wsf h TRP 747 N 0.17 0.08 0.00 3.16 7.01 -1.03 2.57 115.95 127.90 2wsf h TRP 747 Ca -0.22 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.74 2wsf h TRP 747 Cb 2.08 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 29.12 2wsf h TRP 747 CO 0.12 -0.02 -0.37 0.00 -2.79 0.00 0.00 178.44 175.37 2wsf h ALA 748 N 1.27 0.04 -0.96 2.65 0.00 -0.33 -3.20 119.26 118.72 2wsf h ALA 748 Ca 0.75 -0.45 0.17 0.00 0.00 0.00 0.00 54.91 55.38 2wsf h ALA 748 Cb 2.90 0.29 -0.17 0.00 0.00 0.00 0.00 17.79 20.81 2wsf h ALA 748 CO -0.06 0.28 -0.33 0.35 0.00 0.00 0.00 179.25 179.49 2wsf h PHE 749 N -1.00 -0.86 0.00 0.00 3.57 0.28 -2.98 116.94 115.95 2wsf h PHE 749 Ca -0.06 0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2wsf h PHE 749 Cb 0.54 0.52 0.00 0.00 2.79 0.00 0.00 35.95 39.80 2wsf h PHE 749 CO -0.01 -0.41 0.00 1.19 -2.23 0.00 0.00 178.31 176.85 2wsf n PHE 750 N -5.52 0.00 -1.40 0.41 3.72 0.82 -4.05 117.46 111.44 2wsf n PHE 750 Ca 0.12 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.38 2wsf n PHE 750 Cb 0.43 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.85 2wsf n PHE 750 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2wsf n LEU 751 N 0.00 -0.46 0.00 4.37 4.77 -1.13 0.85 117.00 125.40 2wsf n LEU 751 Ca 0.00 -1.25 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 2wsf n LEU 751 Cb 0.00 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 2wsf n LEU 751 CO 0.00 -2.08 0.00 0.00 -1.33 0.00 0.00 177.39 173.98 2wsf n ALA 752 N 10.36 0.00 -2.73 -1.18 0.00 -1.26 -4.84 120.51 120.86 2wsf n ALA 752 Ca 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.82 2wsf n ALA 752 Cb 0.34 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.86 2wsf n ALA 752 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wsf n ARG 753 N 0.00 1.38 0.00 0.00 3.00 0.25 -4.43 116.66 116.85 2wsf n ARG 753 Ca 0.00 -2.79 0.00 0.00 -0.00 0.00 0.00 57.85 55.06 2wsf n ARG 753 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 32.46 31.55 2wsf n ARG 753 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2wsf n ILE 754 N -0.55 0.00 -2.22 5.15 -6.64 -1.26 -4.92 119.36 108.92 2wsf n ILE 754 Ca 0.02 0.00 -0.42 0.00 -1.77 0.00 0.00 62.75 60.58 2wsf n ILE 754 Cb 0.83 0.00 -0.03 0.00 -1.44 0.00 0.00 39.64 39.00 2wsf n ILE 754 CO 0.00 0.00 0.00 -0.63 -1.77 0.00 0.00 176.55 174.15 2wsf s ILE 755 N -1.00 3.68 0.02 7.28 1.01 -1.26 -4.28 121.20 126.65 2wsf s ILE 755 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 60.65 61.73 2wsf s ILE 755 Cb 0.00 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.77 2wsf s ILE 755 CO 0.00 0.01 0.00 0.00 0.00 0.00 0.00 174.94 174.95 2wsf n ALA 756 N 5.25 -2.71 -3.01 9.38 0.00 -1.26 -4.44 120.51 123.72 2wsf n ALA 756 Ca 0.13 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2wsf n ALA 756 Cb 0.44 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.35 2wsf n ALA 756 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wsf n VAL 757 N 0.56 -1.02 0.00 0.00 0.31 -1.26 -4.74 118.33 112.18 2wsf n VAL 757 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2wsf n VAL 757 Cb 0.00 -2.46 0.00 0.00 -0.91 0.00 0.00 33.84 30.47 2wsf n VAL 757 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12