#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pu8 s LEU 2 N nan 4.08 0.00 0.00 2.96 -1.26 -4.99 118.68 nan 1pu8 s LEU 2 Ca nan 0.76 0.06 0.00 -0.22 0.00 0.00 54.13 nan 1pu8 s LEU 2 Cb nan -2.98 -0.02 0.00 0.50 0.00 0.00 46.19 nan 1pu8 s LEU 2 CO nan -0.46 0.21 -0.90 -1.32 0.00 0.00 176.35 nan 1pu8 n ASP 3 N 5.89 0.10 0.22 3.68 5.68 -1.26 -5.06 116.55 125.80 1pu8 n ASP 3 Ca 0.02 -2.99 0.11 0.00 -0.50 0.00 0.00 54.79 51.43 1pu8 n ASP 3 Cb 0.48 1.29 0.32 0.00 -1.14 0.00 0.00 41.12 42.08 1pu8 n ASP 3 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1pu8 h SER 4 N 1.71 0.00 -0.21 -1.12 4.64 -1.87 -2.64 113.55 114.06 1pu8 h SER 4 Ca -0.24 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.04 1pu8 h SER 4 Cb 1.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1pu8 h SER 4 CO 0.37 0.12 0.01 0.15 -0.87 0.00 0.00 176.83 176.61 1pu8 h PHE 5 N 0.00 0.40 -0.91 4.77 -0.00 -1.89 0.24 116.94 119.55 1pu8 h PHE 5 Ca -0.00 -0.07 0.04 0.00 -0.00 0.00 0.00 57.97 57.94 1pu8 h PHE 5 Cb 0.90 -0.11 -0.05 0.00 -0.00 0.00 0.00 35.95 36.69 1pu8 h PHE 5 CO 0.00 0.54 0.59 0.93 -0.00 0.00 0.00 178.31 180.38 1pu8 h GLU 6 N 0.14 1.08 -0.32 1.11 4.39 -1.88 -1.41 114.58 117.70 1pu8 h GLU 6 Ca 0.06 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1pu8 h GLU 6 Cb 0.38 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1pu8 h GLU 6 CO 0.01 0.71 -0.03 0.82 -1.16 0.00 0.00 179.01 179.36 1pu8 h ILE 7 N 1.11 1.27 -0.28 3.13 2.04 -1.33 -2.13 117.51 121.32 1pu8 h ILE 7 Ca 0.37 -1.03 0.04 0.00 1.00 0.00 0.00 64.86 65.23 1pu8 h ILE 7 Cb 0.05 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1pu8 h ILE 7 CO -0.12 0.33 0.05 0.25 0.00 0.00 0.00 178.15 178.67 1pu8 h LEU 8 N 0.37 0.01 -0.65 1.44 5.85 -0.42 0.12 115.31 122.03 1pu8 h LEU 8 Ca 0.09 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1pu8 h LEU 8 Cb 0.50 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1pu8 h LEU 8 CO 0.02 0.04 0.40 0.11 -0.34 0.00 0.00 178.44 178.68 1pu8 h LYS 9 N 0.16 0.87 -0.30 1.25 1.57 -1.20 0.19 116.57 119.11 1pu8 h LYS 9 Ca 0.13 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 1pu8 h LYS 9 Cb 0.14 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1pu8 h LYS 9 CO -0.17 0.61 -0.26 0.00 -0.57 0.00 0.00 179.45 179.05 1pu8 h ALA 10 N 1.21 0.43 -0.55 3.86 0.00 -0.87 -1.86 119.26 121.49 1pu8 h ALA 10 Ca 0.23 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1pu8 h ALA 10 Cb -0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1pu8 h ALA 10 CO -0.05 0.43 0.22 -0.07 0.00 0.00 0.00 179.25 179.79 1pu8 h LEU 11 N 0.45 0.75 -0.69 0.00 3.38 -0.60 -2.91 115.31 115.70 1pu8 h LEU 11 Ca 0.05 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.91 1pu8 h LEU 11 Cb 0.83 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1pu8 h LEU 11 CO 0.07 0.71 0.39 0.50 0.09 0.00 0.00 178.44 180.20 1pu8 h LYS 12 N 0.75 0.71 0.00 1.13 1.63 -0.47 -1.14 116.57 119.18 1pu8 h LYS 12 Ca 0.18 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1pu8 h LYS 12 Cb 0.19 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1pu8 h LYS 12 CO -0.02 0.47 0.00 -1.13 -3.45 0.00 0.00 179.45 175.33 1pu8 n SER 13 N -4.75 0.00 0.10 4.20 3.41 -0.71 -1.52 113.62 114.35 1pu8 n SER 13 Ca 0.09 0.41 0.13 0.00 -0.26 0.00 0.00 58.87 59.24 1pu8 n SER 13 Cb 0.16 -0.45 0.30 0.00 -0.26 0.00 0.00 64.21 63.95 1pu8 n SER 13 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1pu8 h LEU 14 N 0.00 0.00 -1.07 1.04 3.38 -1.16 -3.48 115.31 114.03 1pu8 h LEU 14 Ca 0.00 -0.06 -0.37 0.00 0.09 0.00 0.00 57.88 57.54 1pu8 h LEU 14 Cb 0.17 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.06 1pu8 h LEU 14 CO 0.00 0.03 -0.67 0.47 0.09 0.00 0.00 178.44 178.36 1pu8 n ASP 15 N -2.33 -5.14 0.21 -0.43 8.00 -0.58 -4.89 116.55 111.41 1pu8 n ASP 15 Ca 0.05 -0.54 0.15 0.00 0.71 0.00 0.00 54.79 55.16 1pu8 n ASP 15 Cb 0.45 -4.87 0.62 0.00 -0.02 0.00 0.00 41.12 37.29 1pu8 n ASP 15 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1pu8 h LEU 16 N -2.40 0.00 -2.79 0.64 3.38 -1.82 -2.92 115.31 109.40 1pu8 h LEU 16 Ca -0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1pu8 h LEU 16 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1pu8 h LEU 16 CO 0.52 0.00 0.00 0.18 0.09 0.00 0.00 178.44 179.23 1pu8 n LEU 17 N -2.68 3.29 -0.33 1.67 4.77 -1.26 -4.63 117.00 117.83 1pu8 n LEU 17 Ca 0.01 -1.96 0.26 0.00 -0.03 0.00 0.00 56.01 54.28 1pu8 n LEU 17 Cb 0.25 -0.32 0.49 0.00 -2.33 0.00 0.00 43.42 41.51 1pu8 n LEU 17 CO 0.23 0.82 1.01 0.11 -1.33 0.00 0.00 177.39 178.23 1pu8 h LYS 18 N 2.90 0.08 -0.02 3.23 1.79 -1.91 0.22 116.57 122.85 1pu8 h LYS 18 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1pu8 h LYS 18 Cb 0.83 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 1pu8 h LYS 18 CO 0.00 0.05 -0.04 0.09 -1.08 0.00 0.00 179.45 178.47 1pu8 n ASN 19 N -5.26 2.38 -4.88 0.86 3.02 -1.26 -4.99 115.26 105.14 1pu8 n ASN 19 Ca 0.33 -1.77 -0.30 0.00 -0.03 0.00 0.00 54.58 52.81 1pu8 n ASN 19 Cb 1.09 0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 40.27 1pu8 n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pu8 s ALA 20 N -2.05 3.30 1.05 5.41 0.00 0.76 -5.09 121.76 125.14 1pu8 s ALA 20 Ca 0.31 -0.21 -0.13 0.00 0.00 0.00 0.00 51.96 51.92 1pu8 s ALA 20 Cb 0.20 -2.77 0.22 0.00 0.00 0.00 0.00 23.12 20.77 1pu8 s ALA 20 CO 0.34 -0.20 1.09 -1.25 0.00 0.00 0.00 175.76 175.74 1pu8 s PRO 21 N -4.25 -0.01 0.31 0.00 0.04 -1.26 -4.89 135.00 124.95 1pu8 s PRO 21 Ca 0.52 0.43 0.05 0.00 0.04 0.00 0.00 61.00 62.04 1pu8 s PRO 21 Cb -0.10 -1.69 0.70 0.00 0.04 0.00 0.00 34.50 33.44 1pu8 s PRO 21 CO 0.37 -3.01 1.82 0.00 0.04 0.00 0.00 177.00 176.23 1pu8 h ALA 22 N -2.09 1.67 -0.58 8.56 0.00 -1.96 -1.10 119.26 123.75 1pu8 h ALA 22 Ca -0.54 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1pu8 h ALA 22 Cb 1.33 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1pu8 h ALA 22 CO 0.54 0.03 0.00 0.91 0.00 0.00 0.00 179.25 180.73 1pu8 n TRP 23 N -4.65 1.16 0.00 0.00 7.02 -1.26 -4.83 117.44 114.88 1pu8 n TRP 23 Ca 0.20 -0.59 0.00 0.00 -1.02 0.00 0.00 57.50 56.09 1pu8 n TRP 23 Cb 0.48 -0.16 0.00 0.00 -2.42 0.00 0.00 31.31 29.20 1pu8 n TRP 23 CO 0.00 0.00 0.00 1.87 -2.02 0.00 0.00 177.69 177.54 1pu8 n TRP 24 N 0.99 0.00 -1.78 -5.99 -0.00 -0.42 -4.57 117.44 105.66 1pu8 n TRP 24 Ca 0.23 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.31 1pu8 n TRP 24 Cb 0.76 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 32.04 1pu8 n TRP 24 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 177.69 177.23 1pu8 s TRP 25 N 0.00 1.73 0.29 5.87 -0.11 -1.26 -4.38 118.94 121.08 1pu8 s TRP 25 Ca 0.00 -0.14 -0.29 0.00 1.22 0.00 0.00 56.10 56.88 1pu8 s TRP 25 Cb 0.00 -4.13 -0.10 0.00 -1.50 0.00 0.00 33.47 27.74 1pu8 s TRP 25 CO 0.00 -4.86 1.36 -1.25 -4.62 0.00 0.00 176.95 167.57 1pu8 s PRO 26 N 3.82 4.32 -1.58 5.86 0.04 -1.26 -2.10 135.00 144.10 1pu8 s PRO 26 Ca 0.82 2.23 -0.03 0.00 0.04 0.00 0.00 61.00 64.06 1pu8 s PRO 26 Cb -0.41 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1pu8 s PRO 26 CO 0.37 -0.28 0.42 0.09 0.04 0.00 0.00 177.00 177.64 1pu8 n ASN 27 N 1.53 -5.95 -4.43 6.66 5.03 -1.26 -4.73 115.26 112.11 1pu8 n ASN 27 Ca 0.03 -0.20 -0.38 0.00 0.87 0.00 0.00 54.58 54.90 1pu8 n ASN 27 Cb 0.41 -4.82 0.04 0.00 -1.02 0.00 0.00 39.78 34.40 1pu8 n ASN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pu8 n ALA 28 N -3.06 -1.53 -1.19 5.41 0.00 -0.89 -3.05 120.51 116.19 1pu8 n ALA 28 Ca -0.15 -0.10 -0.07 0.00 0.00 0.00 0.00 53.44 53.12 1pu8 n ALA 28 Cb 0.64 -1.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 1pu8 n ALA 28 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pu8 n LEU 29 N 0.55 -0.25 -4.38 0.00 4.77 0.12 -4.96 117.00 112.85 1pu8 n LEU 29 Ca 0.10 0.17 -0.19 0.00 -0.03 0.00 0.00 56.01 56.06 1pu8 n LEU 29 Cb 0.48 -1.73 -0.10 0.00 -2.33 0.00 0.00 43.42 39.74 1pu8 n LEU 29 CO 0.51 -0.59 -0.32 -0.54 -1.33 0.00 0.00 177.39 175.12 1pu8 s LYS 30 N -2.18 1.47 0.37 3.23 1.02 -1.17 -4.93 119.74 117.54 1pu8 s LYS 30 Ca 0.00 -1.76 0.07 0.00 0.02 0.00 0.00 55.97 54.30 1pu8 s LYS 30 Cb 0.00 -0.80 0.79 0.00 -0.52 0.00 0.00 37.83 37.30 1pu8 s LYS 30 CO 0.00 -0.09 1.96 0.35 -0.92 0.00 0.00 175.35 176.64 1pu8 h PHE 31 N 2.33 0.72 -0.32 3.18 -0.00 -1.93 0.41 116.94 121.34 1pu8 h PHE 31 Ca -0.39 0.02 0.03 0.00 -0.00 0.00 0.00 57.97 57.62 1pu8 h PHE 31 Cb 1.23 -0.23 -0.02 0.00 -0.00 0.00 0.00 35.95 36.93 1pu8 h PHE 31 CO 0.60 0.37 0.21 1.49 -0.00 0.00 0.00 178.31 180.98 1pu8 h GLU 32 N 0.70 0.31 -0.68 1.11 4.81 -1.96 -0.91 114.58 117.95 1pu8 h GLU 32 Ca 0.32 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.49 1pu8 h GLU 32 Cb 0.34 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1pu8 h GLU 32 CO -0.11 0.20 0.28 0.00 -0.73 0.00 0.00 179.01 178.66 1pu8 h ALA 33 N 1.82 0.88 -0.23 2.92 0.00 -1.00 -0.19 119.26 123.47 1pu8 h ALA 33 Ca 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1pu8 h ALA 33 Cb 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1pu8 h ALA 33 CO -0.03 0.49 0.04 1.25 0.00 0.00 0.00 179.25 181.01 1pu8 h LEU 34 N 0.96 0.35 -0.65 0.00 6.46 -1.21 -0.29 115.31 120.93 1pu8 h LEU 34 Ca 0.23 -0.25 0.06 0.00 -0.12 0.00 0.00 57.88 57.79 1pu8 h LEU 34 Cb 0.19 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 39.98 1pu8 h LEU 34 CO -0.02 0.52 0.36 -0.07 -0.62 0.00 0.00 178.44 178.61 1pu8 h LEU 35 N 0.18 0.53 -0.59 2.25 3.38 -1.11 -2.06 115.31 117.90 1pu8 h LEU 35 Ca 0.07 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1pu8 h LEU 35 Cb 0.31 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1pu8 h LEU 35 CO 0.00 0.35 0.30 1.23 0.09 0.00 0.00 178.44 180.41 1pu8 h GLY 36 N 0.67 0.90 0.80 0.83 0.00 -0.79 -0.32 103.07 105.16 1pu8 h GLY 36 Ca 0.29 -0.43 0.08 0.00 0.00 0.00 0.00 47.33 47.27 1pu8 h GLY 36 CO -0.18 0.41 0.58 0.00 0.00 0.00 0.00 176.54 177.36 1pu8 h ALA 37 N 1.13 1.56 0.04 3.60 0.00 -0.68 0.13 119.26 125.04 1pu8 h ALA 37 Ca 0.20 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1pu8 h ALA 37 Cb 0.09 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.65 1pu8 h ALA 37 CO -0.03 0.29 -0.57 0.28 0.00 0.00 0.00 179.25 179.22 1pu8 h VAL 38 N 0.98 1.48 0.00 0.00 2.07 -1.11 -3.34 116.25 116.33 1pu8 h VAL 38 Ca 0.40 -2.18 -0.05 0.00 0.82 0.00 0.00 66.70 65.69 1pu8 h VAL 38 Cb 0.28 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 1pu8 h VAL 38 CO -0.16 0.62 -0.23 -0.07 0.02 0.00 0.00 177.57 177.75 1pu8 h LEU 39 N -0.27 0.00 -0.79 2.57 3.38 -0.42 -2.96 115.31 116.81 1pu8 h LEU 39 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1pu8 h LEU 39 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1pu8 h LEU 39 CO 0.11 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.88 1pu8 h THR 40 N 0.00 0.00 -2.00 0.22 1.03 -0.88 -3.44 112.91 107.84 1pu8 h THR 40 Ca -0.00 -0.46 -0.63 0.00 -0.01 0.00 0.00 66.41 65.31 1pu8 h THR 40 Cb 0.73 1.35 0.03 0.00 -1.07 0.00 0.00 68.15 69.19 1pu8 h THR 40 CO 0.03 0.00 0.92 1.67 -0.01 0.00 0.00 175.52 178.13 1pu8 n GLN 41 N -2.65 1.94 -1.38 0.00 7.27 -1.12 -1.70 117.38 119.74 1pu8 n GLN 41 Ca 0.02 0.71 -0.13 0.00 0.07 0.00 0.00 57.00 57.67 1pu8 n GLN 41 Cb 0.32 -2.49 -0.06 0.00 2.41 0.00 0.00 30.24 30.43 1pu8 n GLN 41 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1pu8 n ASN 42 N 5.14 -5.05 -3.69 1.69 3.02 -1.26 -4.95 115.26 110.16 1pu8 n ASN 42 Ca 0.21 0.32 -0.15 0.00 -0.03 0.00 0.00 54.58 54.94 1pu8 n ASN 42 Cb 0.26 -3.70 -0.08 0.00 -0.61 0.00 0.00 39.78 35.65 1pu8 n ASN 42 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1pu8 s THR 43 N -2.33 0.00 0.12 3.41 -1.32 -0.69 -5.07 115.64 109.77 1pu8 s THR 43 Ca 0.00 -1.85 -0.23 0.00 -1.21 0.00 0.00 61.69 58.39 1pu8 s THR 43 Cb 0.00 -2.50 -0.07 0.00 -1.51 0.00 0.00 72.50 68.42 1pu8 s THR 43 CO 0.00 0.00 0.71 -0.54 -2.21 0.00 0.00 174.62 172.58 1pu8 s LYS 44 N -3.67 4.44 0.40 7.08 3.01 -1.26 -4.91 119.74 124.83 1pu8 s LYS 44 Ca 0.36 1.01 0.09 0.00 -1.01 0.00 0.00 55.97 56.42 1pu8 s LYS 44 Cb 0.03 -3.27 0.83 0.00 -1.01 0.00 0.00 37.83 34.41 1pu8 s LYS 44 CO 0.19 0.56 1.96 0.35 0.51 0.00 0.00 175.35 178.91 1pu8 h PHE 45 N 4.56 0.29 -0.83 3.18 3.04 -1.98 -1.18 116.94 124.01 1pu8 h PHE 45 Ca -0.47 -0.02 0.13 0.00 3.98 0.00 0.00 57.97 61.58 1pu8 h PHE 45 Cb 1.21 -0.09 -0.09 0.00 2.56 0.00 0.00 35.95 39.55 1pu8 h PHE 45 CO 0.65 0.34 0.44 0.93 -2.02 0.00 0.00 178.31 178.66 1pu8 h GLU 46 N 0.27 0.66 -0.36 1.11 3.07 -2.00 -1.02 114.58 116.31 1pu8 h GLU 46 Ca 0.06 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.79 1pu8 h GLU 46 Cb 0.27 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 1pu8 h GLU 46 CO 0.01 0.44 -0.15 0.00 -1.40 0.00 0.00 179.01 177.90 1pu8 h ALA 47 N 1.51 1.06 -0.84 3.43 0.00 -1.54 -2.92 119.26 119.97 1pu8 h ALA 47 Ca 0.43 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1pu8 h ALA 47 Cb 0.54 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1pu8 h ALA 47 CO -0.32 0.57 0.48 0.28 0.00 0.00 0.00 179.25 180.26 1pu8 h VAL 48 N 0.59 1.24 -0.96 0.00 2.07 -0.94 -2.64 116.25 115.61 1pu8 h VAL 48 Ca 0.10 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1pu8 h VAL 48 Cb 0.60 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1pu8 h VAL 48 CO 0.04 0.27 0.63 -0.07 0.02 0.00 0.00 177.57 178.46 1pu8 h LEU 49 N 1.17 1.09 -0.31 2.57 3.38 -1.08 -1.65 115.31 120.49 1pu8 h LEU 49 Ca 0.30 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.25 1pu8 h LEU 49 Cb 0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1pu8 h LEU 49 CO -0.05 0.78 0.19 0.11 0.09 0.00 0.00 178.44 179.56 1pu8 h LYS 50 N 1.29 0.37 -0.82 1.13 6.56 -1.42 0.46 116.57 124.14 1pu8 h LYS 50 Ca 0.36 -0.02 0.04 0.00 -1.06 0.00 0.00 60.65 59.97 1pu8 h LYS 50 Cb -0.13 -0.08 -0.05 0.00 -0.57 0.00 0.00 32.23 31.39 1pu8 h LYS 50 CO -0.08 0.25 0.52 0.77 -2.06 0.00 0.00 179.45 178.84 1pu8 h SER 51 N 0.38 0.84 -0.45 0.86 0.02 -1.07 0.11 113.55 114.24 1pu8 h SER 51 Ca 0.12 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.93 1pu8 h SER 51 Cb -0.01 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1pu8 h SER 51 CO -0.05 0.56 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.87 1pu8 h LEU 52 N 0.98 1.02 -0.23 5.07 3.38 -1.08 -0.18 115.31 124.27 1pu8 h LEU 52 Ca 0.34 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1pu8 h LEU 52 Cb 0.08 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1pu8 h LEU 52 CO -0.14 1.22 0.04 -0.08 0.09 0.00 0.00 178.44 179.57 1pu8 h GLU 53 N 0.84 0.13 -0.35 1.13 4.81 -0.01 0.87 114.58 121.99 1pu8 h GLU 53 Ca 0.10 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.40 1pu8 h GLU 53 Cb 0.85 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.13 1pu8 h GLU 53 CO 0.08 0.08 -0.19 -0.91 -0.73 0.00 0.00 179.01 177.34 1pu8 h ASN 54 N 0.13 -0.62 -0.70 1.04 2.35 -0.48 0.30 115.58 117.60 1pu8 h ASN 54 Ca 0.11 0.14 0.02 0.00 -0.55 0.00 0.00 56.30 56.02 1pu8 h ASN 54 Cb 0.11 0.33 -0.04 0.00 0.05 0.00 0.00 38.32 38.77 1pu8 h ASN 54 CO -0.14 -0.22 0.44 -0.07 -1.65 0.00 0.00 177.43 175.79 1pu8 h LEU 55 N -0.13 0.74 -0.36 1.61 3.38 -0.23 -1.13 115.31 119.20 1pu8 h LEU 55 Ca 0.18 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1pu8 h LEU 55 Cb 0.40 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1pu8 h LEU 55 CO -0.43 0.52 -0.07 0.11 0.09 0.00 0.00 178.44 178.66 1pu8 h LYS 56 N 0.88 0.68 0.00 1.13 1.57 -0.36 -1.55 116.57 118.92 1pu8 h LYS 56 Ca 0.27 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1pu8 h LYS 56 Cb -0.02 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1pu8 h LYS 56 CO -0.09 0.83 -0.05 -0.91 -0.57 0.00 0.00 179.45 178.66 1pu8 h ASN 57 N 0.47 0.00 -0.08 0.86 -0.26 0.08 -0.95 115.58 115.70 1pu8 h ASN 57 Ca 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 1pu8 h ASN 57 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 1pu8 h ASN 57 CO 0.03 0.05 0.00 0.00 -1.06 0.00 0.00 177.43 176.45 1pu8 n ALA 58 N -2.15 2.51 -1.83 -0.83 0.00 -0.47 -4.94 120.51 112.81 1pu8 n ALA 58 Ca -0.01 -0.60 -0.19 0.00 0.00 0.00 0.00 53.44 52.64 1pu8 n ALA 58 Cb 0.23 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.62 1pu8 n ALA 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pu8 n PHE 59 N 0.74 -0.31 -0.00 0.00 3.01 -0.36 -4.87 117.46 115.67 1pu8 n PHE 59 Ca 0.17 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.46 1pu8 n PHE 59 Cb 0.46 -3.35 -0.11 0.00 -0.01 0.00 0.00 39.48 36.47 1pu8 n PHE 59 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1pu8 h ILE 60 N 0.00 1.43 -3.78 4.37 2.04 -1.51 -3.41 117.51 116.64 1pu8 h ILE 60 Ca -0.41 -2.05 -0.65 0.00 1.00 0.00 0.00 64.86 62.76 1pu8 h ILE 60 Cb 1.26 2.56 -0.20 0.00 -0.74 0.00 0.00 36.82 39.71 1pu8 h ILE 60 CO 0.55 0.60 -0.56 -0.76 0.00 0.00 0.00 178.15 177.98 1pu8 s LEU 61 N -8.37 3.84 0.00 1.44 1.02 -1.11 -4.79 118.68 110.71 1pu8 s LEU 61 Ca -0.13 -0.14 0.00 0.00 0.02 0.00 0.00 54.13 53.88 1pu8 s LEU 61 Cb 0.04 -2.04 0.00 0.00 0.02 0.00 0.00 46.19 44.21 1pu8 s LEU 61 CO 0.82 -0.06 0.00 -0.62 0.02 0.00 0.00 176.35 176.51 1pu8 n GLU 62 N 5.01 2.71 0.08 1.70 1.02 -1.26 -4.39 120.64 125.51 1pu8 n GLU 62 Ca -0.15 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.11 1pu8 n GLU 62 Cb 0.51 0.00 0.17 0.00 -0.02 0.00 0.00 31.44 32.10 1pu8 n GLU 62 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1pu8 h ASN 63 N 0.00 0.00 -3.68 1.62 2.35 -1.99 -3.44 115.58 110.44 1pu8 h ASN 63 Ca 0.00 -0.15 -0.66 0.00 -0.55 0.00 0.00 56.30 54.94 1pu8 h ASN 63 Cb 0.00 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 38.15 1pu8 h ASN 63 CO 0.00 0.08 -0.58 -0.62 -1.65 0.00 0.00 177.43 174.66 1pu8 s ASP 64 N -4.52 5.43 0.30 5.81 3.68 -1.26 -4.99 116.67 121.13 1pu8 s ASP 64 Ca 0.06 -0.34 0.05 0.00 2.13 0.00 0.00 52.55 54.45 1pu8 s ASP 64 Cb 0.12 -1.98 0.47 0.00 -1.45 0.00 0.00 42.92 40.08 1pu8 s ASP 64 CO 0.72 -0.11 1.74 0.44 0.13 0.00 0.00 175.17 178.08 1pu8 h ASP 65 N 8.30 0.37 -0.49 -0.34 3.45 -1.98 -0.55 116.42 125.19 1pu8 h ASP 65 Ca -0.35 -0.13 -0.09 0.00 0.43 0.00 0.00 57.03 56.89 1pu8 h ASP 65 Cb 1.16 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.81 1pu8 h ASP 65 CO 0.59 0.66 -0.02 -0.33 -1.57 0.00 0.00 179.24 178.57 1pu8 h GLU 66 N 0.32 0.92 -0.39 3.56 4.39 -1.99 0.20 114.58 121.60 1pu8 h GLU 66 Ca 0.05 -0.28 -0.11 0.00 0.34 0.00 0.00 59.36 59.36 1pu8 h GLU 66 Cb 0.68 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1pu8 h GLU 66 CO 0.05 0.92 -0.18 0.82 -1.16 0.00 0.00 179.01 179.46 1pu8 h ILE 67 N 0.85 1.28 -0.43 3.13 2.04 -1.95 -2.82 117.51 119.61 1pu8 h ILE 67 Ca 0.15 -1.31 0.01 0.00 1.00 0.00 0.00 64.86 64.72 1pu8 h ILE 67 Cb 0.52 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1pu8 h ILE 67 CO 0.03 0.44 0.27 0.78 0.00 0.00 0.00 178.15 179.66 1pu8 h ASN 68 N 0.61 0.44 -0.35 1.72 -0.26 -0.53 0.15 115.58 117.36 1pu8 h ASN 68 Ca 0.09 -0.00 0.06 0.00 -0.56 0.00 0.00 56.30 55.88 1pu8 h ASN 68 Cb 0.73 -0.10 -0.05 0.00 -1.06 0.00 0.00 38.32 37.84 1pu8 h ASN 68 CO 0.06 0.32 0.05 0.25 -1.06 0.00 0.00 177.43 177.04 1pu8 h LEU 69 N 0.54 -0.04 -0.83 1.61 5.85 -0.59 -1.67 115.31 120.19 1pu8 h LEU 69 Ca 0.17 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.85 1pu8 h LEU 69 Cb -0.02 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1pu8 h LEU 69 CO -0.06 0.02 -0.17 0.11 -0.34 0.00 0.00 178.44 177.99 1pu8 h LYS 70 N 0.16 0.69 -0.46 1.25 1.57 -1.17 -1.46 116.57 117.15 1pu8 h LYS 70 Ca 0.17 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1pu8 h LYS 70 Cb 0.20 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1pu8 h LYS 70 CO -0.24 0.82 0.26 0.87 -0.57 0.00 0.00 179.45 180.59 1pu8 h LYS 71 N 0.62 0.50 -0.33 3.15 1.79 -0.17 -1.63 116.57 120.50 1pu8 h LYS 71 Ca 0.10 -0.03 -0.16 0.00 -2.18 0.00 0.00 60.65 58.37 1pu8 h LYS 71 Cb 0.64 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1pu8 h LYS 71 CO 0.05 0.33 -0.44 0.82 -1.08 0.00 0.00 179.45 179.13 1pu8 h ILE 72 N 0.52 1.28 -0.87 1.86 1.08 -1.11 0.02 117.51 120.29 1pu8 h ILE 72 Ca 0.19 -1.62 0.04 0.00 -0.39 0.00 0.00 64.86 63.08 1pu8 h ILE 72 Cb 0.05 1.53 -0.05 0.00 -3.07 0.00 0.00 36.82 35.27 1pu8 h ILE 72 CO -0.11 0.53 0.57 0.00 -0.69 0.00 0.00 178.15 178.46 1pu8 h ALA 73 N 0.72 1.47 -0.09 1.87 0.00 -1.08 -3.20 119.26 118.95 1pu8 h ALA 73 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pu8 h ALA 73 Cb 1.04 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1pu8 h ALA 73 CO 0.10 0.43 0.00 0.66 0.00 0.00 0.00 179.25 180.44 1pu8 n TYR 74 N -4.45 0.10 -1.95 0.00 4.01 -0.63 -4.73 117.16 109.51 1pu8 n TYR 74 Ca 0.12 -0.08 -0.39 0.00 -0.16 0.00 0.00 57.90 57.39 1pu8 n TYR 74 Cb 0.12 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.16 1pu8 n TYR 74 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 1pu8 s ILE 75 N -1.24 2.42 0.08 -0.72 2.07 -0.02 -4.91 121.20 118.87 1pu8 s ILE 75 Ca 0.20 0.35 -0.30 0.00 -1.41 0.00 0.00 60.65 59.48 1pu8 s ILE 75 Cb 0.13 -3.19 -0.10 0.00 0.13 0.00 0.00 42.46 39.44 1pu8 s ILE 75 CO 0.20 0.03 1.90 -0.70 -1.91 0.00 0.00 174.94 174.45 1pu8 s GLU 76 N -2.56 4.14 0.26 3.50 2.12 -1.26 -4.88 118.70 120.01 1pu8 s GLU 76 Ca 0.63 2.60 -0.11 0.00 0.36 0.00 0.00 54.97 58.45 1pu8 s GLU 76 Cb -0.38 -3.88 0.37 0.00 0.26 0.00 0.00 34.13 30.50 1pu8 s GLU 76 CO 0.48 -0.90 1.51 0.34 -0.54 0.00 0.00 175.26 176.15 1pu8 n PHE 77 N 6.63 0.24 0.16 5.30 -0.00 -1.26 -1.85 117.46 126.68 1pu8 n PHE 77 Ca 0.19 1.19 0.04 0.00 -0.00 0.00 0.00 57.45 58.86 1pu8 n PHE 77 Cb 0.40 -1.00 0.18 0.00 -0.00 0.00 0.00 39.48 39.06 1pu8 n PHE 77 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1pu8 h SER 78 N 0.00 0.00 -0.11 -2.13 4.64 -1.99 0.66 113.55 114.62 1pu8 h SER 78 Ca 0.42 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.72 1pu8 h SER 78 Cb 0.67 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1pu8 h SER 78 CO -0.99 0.47 -0.00 0.50 -0.87 0.00 0.00 176.83 175.94 1pu8 h LYS 79 N 0.00 0.20 -0.53 4.77 3.64 -1.76 -1.29 116.57 121.60 1pu8 h LYS 79 Ca -0.00 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1pu8 h LYS 79 Cb 1.16 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1pu8 h LYS 79 CO 0.06 0.45 0.25 1.25 -2.27 0.00 0.00 179.45 179.19 1pu8 h LEU 80 N -0.07 0.69 -0.45 5.20 5.85 -1.04 -0.95 115.31 124.54 1pu8 h LEU 80 Ca 0.03 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.67 1pu8 h LEU 80 Cb 0.36 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1pu8 h LEU 80 CO 0.01 0.63 0.20 0.00 -0.34 0.00 0.00 178.44 178.94 1pu8 h ALA 81 N 1.09 0.56 -0.20 1.25 0.00 -0.88 -1.82 119.26 119.26 1pu8 h ALA 81 Ca 0.18 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1pu8 h ALA 81 Cb 0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1pu8 h ALA 81 CO -0.02 -0.17 -0.07 0.93 0.00 0.00 0.00 179.25 179.92 1pu8 h GLU 82 N 0.40 -0.03 -0.75 0.00 3.07 -0.92 -2.76 114.58 113.60 1pu8 h GLU 82 Ca 0.20 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 59.16 1pu8 h GLU 82 Cb 0.15 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.02 1pu8 h GLU 82 CO -0.17 -0.02 0.49 0.00 -1.40 0.00 0.00 179.01 177.91 1pu8 n VAL 84 N -4.50 2.07 -0.32 0.00 0.24 -0.76 -4.51 118.33 110.54 1pu8 n VAL 84 Ca 0.13 -1.30 0.02 0.00 -2.04 0.00 0.00 64.34 61.15 1pu8 n VAL 84 Cb 0.35 0.02 0.09 0.00 -1.47 0.00 0.00 33.84 32.83 1pu8 n VAL 84 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1pu8 h ARG 85 N 3.84 -0.02 -0.20 7.34 2.43 -1.34 -2.67 114.38 123.76 1pu8 h ARG 85 Ca 0.00 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1pu8 h ARG 85 Cb 1.56 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.10 1pu8 h ARG 85 CO 0.29 -0.01 0.15 -1.35 -1.51 0.00 0.00 179.97 177.54 1pu8 h PRO 86 N -0.02 0.00 -0.42 0.20 0.11 -1.85 0.60 132.00 130.62 1pu8 h PRO 86 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1pu8 h PRO 86 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1pu8 h PRO 86 CO -0.92 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 175.74 1pu8 n SER 87 N -4.40 2.51 -0.62 -2.05 3.41 -1.01 -4.80 113.62 106.66 1pu8 n SER 87 Ca 0.02 -1.95 0.08 0.00 -0.26 0.00 0.00 58.87 56.76 1pu8 n SER 87 Cb 0.29 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 1pu8 n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pu8 n GLY 88 N 1.27 -2.15 4.06 5.00 0.00 0.20 -4.75 105.19 108.81 1pu8 n GLY 88 Ca 0.16 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 1pu8 n GLY 88 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pu8 n PHE 89 N -3.16 -1.93 0.07 1.61 3.01 -1.26 -4.80 117.46 111.01 1pu8 n PHE 89 Ca -0.01 0.83 -0.13 0.00 1.01 0.00 0.00 57.45 59.15 1pu8 n PHE 89 Cb 0.29 -3.49 -0.04 0.00 -0.01 0.00 0.00 39.48 36.23 1pu8 n PHE 89 CO 0.00 0.00 0.00 0.10 1.01 0.00 0.00 176.76 177.87 1pu8 h TYR 90 N -1.77 0.55 -0.62 1.38 -0.00 -1.87 0.62 116.97 115.25 1pu8 h TYR 90 Ca -0.59 -0.30 -0.04 0.00 0.00 0.00 0.00 58.73 57.79 1pu8 h TYR 90 Cb 1.38 -0.06 -0.03 0.00 0.00 0.00 0.00 36.73 38.02 1pu8 h TYR 90 CO 0.58 1.13 0.22 -0.91 -0.00 0.00 0.00 178.16 179.17 1pu8 h ASN 91 N 0.20 0.89 -0.43 0.10 2.35 -1.88 -0.57 115.58 116.24 1pu8 h ASN 91 Ca -0.08 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.42 1pu8 h ASN 91 Cb 1.59 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.71 1pu8 h ASN 91 CO 0.16 0.84 0.01 1.56 -1.65 0.00 0.00 177.43 178.36 1pu8 h GLN 92 N 0.88 0.74 -0.05 0.81 4.20 -1.81 -2.49 115.11 117.39 1pu8 h GLN 92 Ca 0.20 -0.23 -0.13 0.00 0.06 0.00 0.00 58.65 58.55 1pu8 h GLN 92 Cb 0.26 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1pu8 h GLN 92 CO -0.01 0.81 -0.57 0.87 -0.67 0.00 0.00 178.83 179.26 1pu8 h LYS 93 N 0.58 0.16 -0.04 1.46 1.57 -0.79 -0.76 116.57 118.74 1pu8 h LYS 93 Ca 0.12 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1pu8 h LYS 93 Cb 0.46 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1pu8 h LYS 93 CO 0.02 0.69 -0.00 0.00 -0.57 0.00 0.00 179.45 179.58 1pu8 h ALA 94 N 1.29 0.06 -0.08 3.86 0.00 -1.03 -0.63 119.26 122.74 1pu8 h ALA 94 Ca -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1pu8 h ALA 94 Cb 1.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1pu8 h ALA 94 CO 0.08 -0.26 -0.08 -0.22 0.00 0.00 0.00 179.25 178.77 1pu8 h LYS 95 N -0.23 -0.10 -0.57 0.00 1.63 -1.33 0.34 116.57 116.32 1pu8 h LYS 95 Ca 0.01 0.01 0.11 0.00 -0.85 0.00 0.00 60.65 59.93 1pu8 h LYS 95 Cb 0.35 0.02 -0.11 0.00 -0.60 0.00 0.00 32.23 31.89 1pu8 h LYS 95 CO 0.00 -0.06 -0.20 -0.09 -3.45 0.00 0.00 179.45 175.65 1pu8 h ARG 96 N -0.10 -0.06 -0.34 1.90 2.43 -1.10 0.28 114.38 117.38 1pu8 h ARG 96 Ca 0.06 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1pu8 h ARG 96 Cb 0.18 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1pu8 h ARG 96 CO -0.14 -0.04 0.04 -0.07 -1.51 0.00 0.00 179.97 178.25 1pu8 h LEU 97 N -0.06 0.56 -0.25 3.80 3.38 -0.58 0.47 115.31 122.62 1pu8 h LEU 97 Ca 0.26 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1pu8 h LEU 97 Cb 0.47 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1pu8 h LEU 97 CO -0.62 0.70 0.08 0.40 0.09 0.00 0.00 178.44 179.09 1pu8 h ILE 98 N 0.41 1.20 -0.18 1.22 2.04 -0.69 0.18 117.51 121.68 1pu8 h ILE 98 Ca 0.10 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 1pu8 h ILE 98 Cb 0.39 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1pu8 h ILE 98 CO 0.01 0.20 0.05 0.44 0.00 0.00 0.00 178.15 178.85 1pu8 h ASP 99 N 0.24 0.27 -0.04 1.72 3.32 -0.96 -0.24 116.42 120.75 1pu8 h ASP 99 Ca 0.08 -0.22 0.03 0.00 0.02 0.00 0.00 57.03 56.94 1pu8 h ASP 99 Cb 0.24 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1pu8 h ASP 99 CO -0.00 0.42 -0.22 0.25 -1.72 0.00 0.00 179.24 177.97 1pu8 h LEU 100 N 0.10 -0.65 -0.74 1.55 5.85 -0.85 0.17 115.31 120.75 1pu8 h LEU 100 Ca 0.06 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1pu8 h LEU 100 Cb 0.25 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1pu8 h LEU 100 CO -0.00 -0.28 0.39 0.28 -0.34 0.00 0.00 178.44 178.50 1pu8 h SER 101 N -0.33 0.93 -0.64 1.25 0.02 -0.50 0.16 113.55 114.45 1pu8 h SER 101 Ca 0.07 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1pu8 h SER 101 Cb 0.42 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1pu8 h SER 101 CO -0.22 0.77 0.17 1.23 -1.14 0.00 0.00 176.83 177.63 1pu8 h GLY 102 N 1.02 1.08 1.62 -3.77 0.00 -0.87 -2.07 103.07 100.08 1pu8 h GLY 102 Ca 0.26 -0.67 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 1pu8 h GLY 102 CO -0.04 0.62 -0.39 3.43 0.00 0.00 0.00 176.54 180.16 1pu8 h ASN 103 N 0.93 0.44 -0.13 0.19 2.35 -0.03 -0.89 115.58 118.45 1pu8 h ASN 103 Ca 0.20 -0.19 0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1pu8 h ASN 103 Cb 0.34 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1pu8 h ASN 103 CO -0.00 0.79 0.00 0.40 -1.65 0.00 0.00 177.43 176.98 1pu8 h ILE 104 N 0.35 0.91 -0.52 2.81 2.04 -0.58 -0.11 117.51 122.41 1pu8 h ILE 104 Ca 0.03 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.88 1pu8 h ILE 104 Cb 0.84 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 1pu8 h ILE 104 CO 0.07 0.01 0.35 -0.07 0.00 0.00 0.00 178.15 178.50 1pu8 h LEU 105 N 0.05 0.60 -0.63 1.44 3.38 -1.16 0.40 115.31 119.39 1pu8 h LEU 105 Ca 0.06 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1pu8 h LEU 105 Cb 0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1pu8 h LEU 105 CO -0.10 0.43 0.29 0.50 0.09 0.00 0.00 178.44 179.65 1pu8 h LYS 106 N 0.71 0.91 0.00 1.13 3.64 -0.96 -0.64 116.57 121.36 1pu8 h LYS 106 Ca 0.19 -0.14 -0.26 0.00 -1.27 0.00 0.00 60.65 59.17 1pu8 h LYS 106 Cb -0.08 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.53 1pu8 h LYS 106 CO -0.04 0.74 -1.77 -0.25 -2.27 0.00 0.00 179.45 175.86 1pu8 n ASP 107 N -4.48 0.67 0.00 4.20 10.43 -0.07 -4.59 116.55 122.70 1pu8 n ASP 107 Ca 0.04 0.31 0.00 0.00 2.57 0.00 0.00 54.79 57.71 1pu8 n ASP 107 Cb 0.14 0.28 0.00 0.00 1.84 0.00 0.00 41.12 43.38 1pu8 n ASP 107 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1pu8 n PHE 108 N -2.91 0.00 0.00 1.24 3.72 0.14 -5.02 117.46 114.62 1pu8 n PHE 108 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 1pu8 n PHE 108 Cb 0.99 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.53 1pu8 n PHE 108 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1pu8 n GLN 109 N -0.09 0.00 -3.70 -1.08 3.00 -0.25 -4.34 117.38 110.92 1pu8 n GLN 109 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1pu8 n GLN 109 Cb 0.06 -1.04 -0.06 0.00 0.00 0.00 0.00 30.24 29.20 1pu8 n GLN 109 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1pu8 s SER 110 N 0.00 -0.16 0.20 1.08 1.04 -1.26 -4.84 113.70 109.76 1pu8 s SER 110 Ca 0.00 -0.29 -0.05 0.00 0.48 0.00 0.00 55.95 56.09 1pu8 s SER 110 Cb 0.00 0.42 0.14 0.00 0.10 0.00 0.00 66.02 66.68 1pu8 s SER 110 CO 0.00 -0.75 1.59 0.15 0.98 0.00 0.00 173.24 175.20 1pu8 h PHE 111 N 2.71 0.89 -0.40 5.02 3.57 -1.91 -1.56 116.94 125.26 1pu8 h PHE 111 Ca -0.33 -0.23 0.07 0.00 3.53 0.00 0.00 57.97 61.01 1pu8 h PHE 111 Cb 1.23 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.71 1pu8 h PHE 111 CO 0.38 0.97 0.04 1.49 -2.23 0.00 0.00 178.31 178.96 1pu8 h GLU 112 N 0.65 0.15 -0.19 1.11 4.81 -1.96 -0.46 114.58 118.68 1pu8 h GLU 112 Ca 0.07 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.10 1pu8 h GLU 112 Cb 0.83 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1pu8 h GLU 112 CO 0.07 0.10 -0.68 -0.97 -0.73 0.00 0.00 179.01 176.80 1pu8 h ASN 113 N 0.15 0.87 -0.88 1.04 -1.24 -1.78 -2.63 115.58 111.11 1pu8 h ASN 113 Ca 0.19 -0.53 0.18 0.00 0.71 0.00 0.00 56.30 56.86 1pu8 h ASN 113 Cb 0.26 -0.26 -0.11 0.00 0.73 0.00 0.00 38.32 38.94 1pu8 h ASN 113 CO -0.29 1.31 0.44 0.15 -1.29 0.00 0.00 177.43 177.75 1pu8 h PHE 114 N 0.55 0.76 0.00 0.67 3.57 -0.97 0.14 116.94 121.64 1pu8 h PHE 114 Ca -0.02 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1pu8 h PHE 114 Cb 1.28 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 1pu8 h PHE 114 CO 0.07 0.10 -0.25 0.87 -2.23 0.00 0.00 178.31 176.86 1pu8 h LYS 115 N 0.55 0.00 0.18 1.11 1.57 -0.70 -0.32 116.57 118.95 1pu8 h LYS 115 Ca 0.51 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.97 1pu8 h LYS 115 Cb 0.85 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.17 1pu8 h LYS 115 CO -0.43 0.25 -1.61 0.37 -0.57 0.00 0.00 179.45 177.46 1pu8 h GLN 116 N 0.00 0.38 0.00 3.15 4.15 -1.27 -3.41 115.11 118.11 1pu8 h GLN 116 Ca -0.00 -0.64 0.00 0.00 0.77 0.00 0.00 58.65 58.77 1pu8 h GLN 116 Cb 0.47 0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.40 1pu8 h GLN 116 CO 0.03 1.31 -1.54 0.39 -1.93 0.00 0.00 178.83 177.09 1pu8 n GLU 117 N -3.70 0.39 -1.79 1.69 -0.58 -0.06 -5.00 120.64 111.60 1pu8 n GLU 117 Ca -0.24 -0.10 -0.40 0.00 -0.42 0.00 0.00 57.16 56.00 1pu8 n GLU 117 Cb 1.03 -1.53 0.01 0.00 -0.57 0.00 0.00 31.44 30.38 1pu8 n GLU 117 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1pu8 s VAL 118 N -3.30 2.03 0.33 2.62 0.11 -0.15 -5.03 120.40 117.01 1pu8 s VAL 118 Ca -0.01 0.03 0.10 0.00 -2.93 0.00 0.00 61.98 59.16 1pu8 s VAL 118 Cb 0.15 -3.02 -0.06 0.00 -1.53 0.00 0.00 36.38 31.92 1pu8 s VAL 118 CO 0.88 0.01 -0.10 0.42 -3.33 0.00 0.00 175.10 172.97 1pu8 s THR 119 N -1.17 2.30 0.23 5.04 -4.23 -1.26 -5.04 115.64 111.52 1pu8 s THR 119 Ca 0.58 -2.22 -0.08 0.00 -1.18 0.00 0.00 61.69 58.79 1pu8 s THR 119 Cb -0.45 -2.61 0.20 0.00 1.34 0.00 0.00 72.50 70.98 1pu8 s THR 119 CO 0.60 -0.23 1.88 -0.09 -0.54 0.00 0.00 174.62 176.23 1pu8 h ARG 120 N 2.05 1.03 -0.65 3.99 2.43 -1.95 -2.37 114.38 118.90 1pu8 h ARG 120 Ca -0.42 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 58.64 1pu8 h ARG 120 Cb 1.25 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.54 1pu8 h ARG 120 CO 0.69 0.68 0.19 0.93 -1.51 0.00 0.00 179.97 180.95 1pu8 h GLU 121 N 1.06 1.00 -0.48 0.20 3.07 -1.97 0.20 114.58 117.66 1pu8 h GLU 121 Ca 0.33 -0.20 0.02 0.00 -0.50 0.00 0.00 59.36 59.00 1pu8 h GLU 121 Cb -0.02 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 27.71 1pu8 h GLU 121 CO -0.11 0.86 0.29 2.35 -1.40 0.00 0.00 179.01 181.01 1pu8 h TRP 122 N 0.96 0.55 -0.38 4.33 7.01 -1.88 -1.98 115.95 124.56 1pu8 h TRP 122 Ca 0.21 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.16 1pu8 h TRP 122 Cb 0.29 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.15 1pu8 h TRP 122 CO 0.02 0.32 -0.02 -0.07 -2.79 0.00 0.00 178.44 175.91 1pu8 h LEU 123 N 0.59 0.68 -2.52 0.65 3.38 -0.88 -2.52 115.31 114.68 1pu8 h LEU 123 Ca 0.19 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1pu8 h LEU 123 Cb -0.01 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1pu8 h LEU 123 CO -0.07 0.83 -0.02 -0.07 0.09 0.00 0.00 178.44 179.20 1pu8 h LEU 124 N 0.51 0.00 -0.41 1.67 3.38 -0.50 -0.07 115.31 119.89 1pu8 h LEU 124 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1pu8 h LEU 124 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1pu8 h LEU 124 CO 0.02 0.02 -0.01 0.47 0.09 0.00 0.00 178.44 179.03 1pu8 n ASP 125 N -3.25 0.65 -4.57 -0.43 10.43 -0.76 -4.73 116.55 113.90 1pu8 n ASP 125 Ca -0.02 -1.17 -0.42 0.00 2.57 0.00 0.00 54.79 55.75 1pu8 n ASP 125 Cb 0.14 -0.01 -0.07 0.00 1.84 0.00 0.00 41.12 43.02 1pu8 n ASP 125 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1pu8 s GLN 126 N -2.04 3.66 -0.40 -1.24 -1.52 -0.04 -4.99 119.66 113.10 1pu8 s GLN 126 Ca 0.42 0.01 -0.43 0.00 -1.95 0.00 0.00 55.36 53.42 1pu8 s GLN 126 Cb 0.21 -3.81 -0.18 0.00 -0.22 0.00 0.00 33.01 29.02 1pu8 s GLN 126 CO 0.36 -0.72 1.74 1.17 -0.25 0.00 0.00 175.29 177.59 1pu8 n LYS 127 N 6.00 0.56 -0.06 2.91 4.81 -1.26 -1.51 118.16 129.60 1pu8 n LYS 127 Ca -0.02 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 1pu8 n LYS 127 Cb 0.49 -1.81 0.00 0.00 0.02 0.00 0.00 35.03 33.72 1pu8 n LYS 127 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pu8 n GLY 128 N 4.50 0.53 3.57 3.14 0.00 -1.26 -4.75 105.19 110.92 1pu8 n GLY 128 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 1pu8 n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pu8 s ILE 129 N -2.23 4.86 0.84 -0.61 1.01 -0.57 -5.04 121.20 119.46 1pu8 s ILE 129 Ca 0.00 0.58 -0.11 0.00 0.00 0.00 0.00 60.65 61.13 1pu8 s ILE 129 Cb 0.00 -4.11 0.14 0.00 0.01 0.00 0.00 42.46 38.50 1pu8 s ILE 129 CO 0.00 -0.36 1.17 -0.83 0.00 0.00 0.00 174.94 174.92 1pu8 s GLY 130 N 1.82 1.73 0.14 6.18 0.00 -1.26 -4.64 107.32 111.29 1pu8 s GLY 130 Ca 0.25 -1.15 -0.17 0.00 0.00 0.00 0.00 44.72 43.65 1pu8 s GLY 130 CO 0.16 -0.54 1.78 0.50 0.00 0.00 0.00 173.10 174.99 1pu8 h LYS 131 N -1.12 0.49 0.03 2.90 1.57 -1.98 0.11 116.57 118.57 1pu8 h LYS 131 Ca -0.43 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.32 1pu8 h LYS 131 Cb 1.27 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 1pu8 h LYS 131 CO 0.48 0.36 -0.08 1.49 -0.57 0.00 0.00 179.45 181.12 1pu8 h GLU 132 N 0.48 -0.15 -0.03 3.15 4.81 -1.94 0.46 114.58 121.35 1pu8 h GLU 132 Ca 0.13 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1pu8 h GLU 132 Cb -0.01 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1pu8 h GLU 132 CO -0.03 -0.10 0.00 0.77 -0.73 0.00 0.00 179.01 178.93 1pu8 h SER 133 N -0.16 -0.00 -0.36 1.04 0.02 -1.77 0.19 113.55 112.52 1pu8 h SER 133 Ca 0.02 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.06 1pu8 h SER 133 Cb 0.18 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 62.65 1pu8 h SER 133 CO -0.07 0.00 -0.21 0.00 -1.14 0.00 0.00 176.83 175.41 1pu8 h ALA 134 N 1.02 0.02 -0.35 3.77 0.00 -0.41 0.21 119.26 123.52 1pu8 h ALA 134 Ca 0.01 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1pu8 h ALA 134 Cb 0.01 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1pu8 h ALA 134 CO -0.02 -0.60 -0.08 -0.44 0.00 0.00 0.00 179.25 178.11 1pu8 h ASP 135 N -0.16 0.56 -0.25 0.00 3.45 0.23 -1.17 116.42 119.08 1pu8 h ASP 135 Ca 0.18 -0.14 -0.12 0.00 0.43 0.00 0.00 57.03 57.38 1pu8 h ASP 135 Cb 0.44 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.05 1pu8 h ASP 135 CO -0.45 0.69 -0.27 0.00 -1.57 0.00 0.00 179.24 177.63 1pu8 h ALA 136 N 1.37 0.85 -0.33 3.45 0.00 -0.11 0.62 119.26 125.11 1pu8 h ALA 136 Ca 0.10 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1pu8 h ALA 136 Cb 0.47 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1pu8 h ALA 136 CO 0.03 0.64 0.17 0.82 0.00 0.00 0.00 179.25 180.91 1pu8 h ILE 137 N 0.64 1.15 -0.15 0.00 2.04 -0.59 0.36 117.51 120.97 1pu8 h ILE 137 Ca 0.08 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1pu8 h ILE 137 Cb 0.79 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1pu8 h ILE 137 CO 0.06 0.15 0.07 -0.07 0.00 0.00 0.00 178.15 178.37 1pu8 h LEU 138 N 0.41 0.19 0.20 1.44 3.38 -0.91 0.12 115.31 120.14 1pu8 h LEU 138 Ca 0.12 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1pu8 h LEU 138 Cb 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1pu8 h LEU 138 CO -0.02 0.25 -0.10 0.00 0.09 0.00 0.00 178.44 178.66 1pu8 h TYR 140 N -1.06 0.00 0.03 0.00 0.05 -0.33 -1.34 116.97 114.32 1pu8 h TYR 140 Ca -0.03 0.00 -0.37 0.00 0.05 0.00 0.00 58.73 58.38 1pu8 h TYR 140 Cb 0.26 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.95 1pu8 h TYR 140 CO 0.01 0.55 -2.27 0.00 -1.05 0.00 0.00 178.16 175.40 1pu8 n ALA 141 N -2.29 1.30 0.40 3.88 0.00 -0.31 0.13 120.51 123.62 1pu8 n ALA 141 Ca -0.02 -0.97 0.09 0.00 0.00 0.00 0.00 53.44 52.54 1pu8 n ALA 141 Cb 0.78 -0.34 0.13 0.00 0.00 0.00 0.00 19.45 20.02 1pu8 n ALA 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pu8 n ALA 143 N 1.03 -1.14 -2.23 0.00 0.00 -0.51 -4.90 120.51 112.76 1pu8 n ALA 143 Ca 0.13 0.13 -0.29 0.00 0.00 0.00 0.00 53.44 53.42 1pu8 n ALA 143 Cb 0.47 -3.53 -0.01 0.00 0.00 0.00 0.00 19.45 16.37 1pu8 n ALA 143 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pu8 s LYS 144 N -6.28 3.64 -1.32 0.00 -0.14 -0.24 -4.82 119.74 110.58 1pu8 s LYS 144 Ca 0.52 0.31 -0.14 0.00 -1.36 0.00 0.00 55.97 55.30 1pu8 s LYS 144 Cb -0.27 -2.38 0.11 0.00 -1.68 0.00 0.00 37.83 33.61 1pu8 s LYS 144 CO 0.64 -0.13 1.84 0.39 -0.76 0.00 0.00 175.35 177.32 1pu8 n GLU 145 N -1.85 3.25 -3.86 1.68 1.02 -1.26 -4.36 120.64 115.26 1pu8 n GLU 145 Ca 0.01 -3.28 -0.17 0.00 -0.02 0.00 0.00 57.16 53.70 1pu8 n GLU 145 Cb 0.55 -3.20 -0.16 0.00 -0.02 0.00 0.00 31.44 28.60 1pu8 n GLU 145 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1pu8 s VAL 146 N 2.40 0.10 -0.25 2.62 1.01 -1.26 -5.01 120.40 120.02 1pu8 s VAL 146 Ca 0.46 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.48 1pu8 s VAL 146 Cb 0.07 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 36.18 1pu8 s VAL 146 CO -0.00 0.14 0.17 -0.32 0.00 0.00 0.00 175.10 175.08 1pu8 s MET 147 N 1.14 4.04 0.31 2.72 1.75 -1.26 -4.62 119.30 123.37 1pu8 s MET 147 Ca -0.08 -0.28 -0.29 0.00 -1.25 0.00 0.00 55.69 53.78 1pu8 s MET 147 Cb -0.13 -3.57 -0.10 0.00 2.84 0.00 0.00 34.83 33.86 1pu8 s MET 147 CO -0.02 -0.01 1.31 0.08 -0.65 0.00 0.00 175.02 175.73 1pu8 s VAL 148 N 1.25 2.80 0.34 10.11 1.01 -1.26 -4.89 120.40 129.77 1pu8 s VAL 148 Ca 0.07 0.78 0.04 0.00 0.00 0.00 0.00 61.98 62.87 1pu8 s VAL 148 Cb -0.14 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.68 1pu8 s VAL 148 CO 0.06 0.17 0.06 0.68 0.00 0.00 0.00 175.10 176.08 1pu8 s VAL 149 N -0.91 1.13 0.03 2.92 -7.23 -1.26 -4.79 120.40 110.29 1pu8 s VAL 149 Ca 0.50 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.63 1pu8 s VAL 149 Cb -0.39 -2.74 0.02 0.00 0.56 0.00 0.00 36.38 33.82 1pu8 s VAL 149 CO 0.50 0.00 0.21 -0.90 -0.31 0.00 0.00 175.10 174.60 1pu8 n ASP 150 N -0.76 -0.33 -0.20 4.85 3.85 -1.26 -4.73 116.55 117.97 1pu8 n ASP 150 Ca -0.03 -1.16 -0.06 0.00 -0.71 0.00 0.00 54.79 52.82 1pu8 n ASP 150 Cb 0.66 0.53 0.03 0.00 -1.35 0.00 0.00 41.12 41.00 1pu8 n ASP 150 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.20 176.69 1pu8 h LYS 151 N 0.00 0.78 -0.51 0.11 3.11 -2.01 -1.70 116.57 116.36 1pu8 h LYS 151 Ca -0.05 -0.07 0.10 0.00 -2.81 0.00 0.00 60.65 57.82 1pu8 h LYS 151 Cb 0.23 -0.17 -0.10 0.00 -1.00 0.00 0.00 32.23 31.20 1pu8 h LYS 151 CO 0.07 0.56 -0.21 1.88 -2.81 0.00 0.00 179.45 178.93 1pu8 h TYR 152 N 0.79 -0.53 -0.29 1.91 0.99 -1.97 0.12 116.97 117.98 1pu8 h TYR 152 Ca 0.21 0.05 -0.08 0.00 2.00 0.00 0.00 58.73 60.91 1pu8 h TYR 152 Cb -0.03 0.31 -0.01 0.00 1.00 0.00 0.00 36.73 38.00 1pu8 h TYR 152 CO -0.02 -0.30 -0.14 0.77 -0.00 0.00 0.00 178.16 178.47 1pu8 h SER 153 N -0.10 0.62 -0.38 3.88 0.02 -1.83 0.11 113.55 115.88 1pu8 h SER 153 Ca 0.24 -0.41 0.08 0.00 -0.84 0.00 0.00 61.79 60.86 1pu8 h SER 153 Cb 0.47 -0.17 -0.08 0.00 0.14 0.00 0.00 62.40 62.75 1pu8 h SER 153 CO -0.57 0.89 -0.18 0.22 -1.14 0.00 0.00 176.83 176.05 1pu8 h TYR 154 N 0.36 -0.45 -0.41 3.45 3.20 -1.02 -0.35 116.97 121.75 1pu8 h TYR 154 Ca 0.07 0.04 -0.15 0.00 3.14 0.00 0.00 58.73 61.83 1pu8 h TYR 154 Cb 0.65 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 1pu8 h TYR 154 CO 0.06 -0.26 -0.33 -0.07 -1.64 0.00 0.00 178.16 175.92 1pu8 h LEU 155 N -0.11 0.99 -0.32 2.82 3.38 -0.67 -0.63 115.31 120.76 1pu8 h LEU 155 Ca 0.19 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.75 1pu8 h LEU 155 Cb 0.40 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1pu8 h LEU 155 CO -0.45 1.22 0.17 0.15 0.09 0.00 0.00 178.44 179.62 1pu8 h PHE 156 N 0.78 0.32 -0.31 1.13 3.04 -0.63 -1.94 116.94 119.33 1pu8 h PHE 156 Ca 0.08 0.01 -0.12 0.00 3.98 0.00 0.00 57.97 61.92 1pu8 h PHE 156 Cb 0.92 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.33 1pu8 h PHE 156 CO 0.06 0.18 -0.28 1.25 -2.02 0.00 0.00 178.31 177.50 1pu8 h LEU 157 N 0.35 0.79 -0.74 0.59 6.46 -0.92 -2.77 115.31 119.06 1pu8 h LEU 157 Ca 0.13 -0.46 0.08 0.00 -0.12 0.00 0.00 57.88 57.51 1pu8 h LEU 157 Cb 0.03 -0.22 -0.06 0.00 -0.73 0.00 0.00 40.66 39.67 1pu8 h LEU 157 CO -0.08 1.08 0.41 0.50 -0.62 0.00 0.00 178.44 179.74 1pu8 h LYS 158 N 0.50 0.71 -0.98 1.25 3.64 -0.49 -0.68 116.57 120.52 1pu8 h LYS 158 Ca 0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1pu8 h LYS 158 Cb 0.85 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.46 1pu8 h LYS 158 CO 0.07 0.47 0.63 -0.22 -2.27 0.00 0.00 179.45 178.13 1pu8 h LYS 159 N 0.73 1.30 0.00 1.90 1.63 -1.26 -1.38 116.57 119.50 1pu8 h LYS 159 Ca 0.35 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 1pu8 h LYS 159 Cb 0.27 -0.29 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1pu8 h LYS 159 CO -0.22 0.88 0.00 1.28 -3.45 0.00 0.00 179.45 177.94 1pu8 n LEU 160 N -4.38 0.00 0.00 5.20 4.77 -0.34 -4.85 117.00 117.40 1pu8 n LEU 160 Ca 0.11 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1pu8 n LEU 160 Cb 0.03 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1pu8 n LEU 160 CO 0.37 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1pu8 n GLY 161 N 0.50 0.95 3.09 -0.72 0.00 -0.52 -5.08 105.19 103.42 1pu8 n GLY 161 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1pu8 n GLY 161 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pu8 s ILE 162 N -2.00 1.95 -0.31 -0.61 1.01 -0.74 -4.98 121.20 115.51 1pu8 s ILE 162 Ca 0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.65 1pu8 s ILE 162 Cb 0.00 -1.79 -0.00 0.00 0.01 0.00 0.00 42.46 40.68 1pu8 s ILE 162 CO 0.00 0.48 0.13 -0.70 0.00 0.00 0.00 174.94 174.86 1pu8 s GLU 163 N 1.33 3.24 -0.35 2.79 2.12 -1.26 -2.02 118.70 124.54 1pu8 s GLU 163 Ca 0.04 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.59 1pu8 s GLU 163 Cb -0.13 -3.52 0.11 0.00 0.26 0.00 0.00 34.13 30.85 1pu8 s GLU 163 CO -0.12 -0.44 0.14 0.42 -0.54 0.00 0.00 175.26 174.72 1pu8 s ILE 164 N 1.58 1.03 0.08 -3.70 1.01 -1.26 -5.02 121.20 114.92 1pu8 s ILE 164 Ca 0.04 -1.77 -0.16 0.00 0.00 0.00 0.00 60.65 58.76 1pu8 s ILE 164 Cb -0.17 -1.76 -0.13 0.00 0.01 0.00 0.00 42.46 40.41 1pu8 s ILE 164 CO 0.05 -0.75 1.33 -0.33 0.00 0.00 0.00 174.94 175.24 1pu8 h GLU 165 N 7.63 0.63 -6.65 2.79 5.08 -1.97 -3.42 114.58 118.69 1pu8 h GLU 165 Ca -0.09 -0.41 -0.53 0.00 -1.00 0.00 0.00 59.36 57.33 1pu8 h GLU 165 Cb 0.99 0.05 0.05 0.00 0.50 0.00 0.00 28.75 30.34 1pu8 h GLU 165 CO 0.47 1.03 0.83 0.34 -1.00 0.00 0.00 179.01 180.68 1pu8 s ASP 166 N -6.64 6.62 0.12 1.42 2.15 -1.26 -4.93 116.67 114.15 1pu8 s ASP 166 Ca -0.12 2.61 -0.20 0.00 0.43 0.00 0.00 52.55 55.27 1pu8 s ASP 166 Cb 0.07 -2.60 -0.07 0.00 -0.30 0.00 0.00 42.92 40.02 1pu8 s ASP 166 CO 0.83 -0.78 1.75 0.22 -0.17 0.00 0.00 175.17 177.03 1pu8 h TYR 167 N 6.25 0.12 -0.44 -5.34 3.20 -2.00 -2.26 116.97 116.50 1pu8 h TYR 167 Ca -0.44 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.33 1pu8 h TYR 167 Cb 1.21 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.43 1pu8 h TYR 167 CO 0.63 0.06 -0.15 -0.44 -1.64 0.00 0.00 178.16 176.63 1pu8 h ASP 168 N 0.14 0.83 -0.43 -2.11 3.45 -1.97 -1.86 116.42 114.48 1pu8 h ASP 168 Ca 0.06 -0.27 -0.13 0.00 0.43 0.00 0.00 57.03 57.12 1pu8 h ASP 168 Cb 0.03 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.56 1pu8 h ASP 168 CO -0.06 0.99 -0.22 -0.33 -1.57 0.00 0.00 179.24 178.05 1pu8 h GLU 169 N 0.74 0.94 -0.01 3.56 5.08 -1.94 0.60 114.58 123.54 1pu8 h GLU 169 Ca 0.11 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1pu8 h GLU 169 Cb 0.66 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1pu8 h GLU 169 CO 0.05 1.06 0.00 1.25 -1.00 0.00 0.00 179.01 180.37 1pu8 h LEU 170 N 0.81 0.01 -0.36 1.33 6.46 -1.31 0.23 115.31 122.49 1pu8 h LEU 170 Ca 0.11 -0.14 0.04 0.00 -0.12 0.00 0.00 57.88 57.77 1pu8 h LEU 170 Cb 0.78 -0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.67 1pu8 h LEU 170 CO 0.06 0.15 0.12 -0.61 -0.62 0.00 0.00 178.44 177.54 1pu8 h GLN 171 N -0.12 0.26 -0.76 1.25 4.15 -1.31 -1.61 115.11 116.97 1pu8 h GLN 171 Ca 0.00 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.42 1pu8 h GLN 171 Cb 0.14 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.73 1pu8 h GLN 171 CO -0.00 0.17 0.50 1.25 -1.93 0.00 0.00 178.83 178.82 1pu8 h HIS 172 N 0.27 0.94 -0.86 3.99 2.76 -0.61 0.23 115.15 121.88 1pu8 h HIS 172 Ca 0.16 0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.47 1pu8 h HIS 172 Cb 0.14 -0.32 -0.08 0.00 1.55 0.00 0.00 27.41 28.70 1pu8 h HIS 172 CO -0.15 0.58 0.48 0.35 -1.30 0.00 0.00 177.93 177.90 1pu8 h PHE 173 N 1.01 0.86 0.12 5.26 3.04 -0.19 0.11 116.94 127.16 1pu8 h PHE 173 Ca 0.28 0.03 -0.28 0.00 3.98 0.00 0.00 57.97 61.98 1pu8 h PHE 173 Cb -0.09 -0.26 0.02 0.00 2.56 0.00 0.00 35.95 38.18 1pu8 h PHE 173 CO -0.02 0.30 -1.22 0.74 -2.02 0.00 0.00 178.31 176.09 1pu8 h PHE 174 N 0.76 0.71 -0.16 0.41 0.04 -0.28 -3.19 116.94 115.23 1pu8 h PHE 174 Ca 0.43 -0.48 -0.12 0.00 2.80 0.00 0.00 57.97 60.61 1pu8 h PHE 174 Cb 0.48 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.59 1pu8 h PHE 174 CO -0.06 1.34 -0.37 0.93 -0.60 0.00 0.00 178.31 179.56 1pu8 h GLU 175 N 0.16 0.54 -0.76 1.51 5.08 -0.25 -3.34 114.58 117.53 1pu8 h GLU 175 Ca -0.16 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 1pu8 h GLU 175 Cb 1.91 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 31.18 1pu8 h GLU 175 CO 0.22 0.97 0.43 1.57 -1.00 0.00 0.00 179.01 181.20 1pu8 h LYS 176 N 0.18 1.04 -0.32 2.33 2.10 -0.83 -1.34 116.57 119.72 1pu8 h LYS 176 Ca 0.00 -0.10 -0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1pu8 h LYS 176 Cb 0.97 -0.21 -0.02 0.00 -0.90 0.00 0.00 32.23 32.07 1pu8 h LYS 176 CO 0.08 0.75 0.18 0.78 -2.00 0.00 0.00 179.45 179.23 1pu8 h GLY 177 N 1.08 0.46 0.32 0.07 0.00 -1.66 0.96 103.07 104.29 1pu8 h GLY 177 Ca 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1pu8 h GLY 177 CO -0.05 0.18 -0.08 -2.08 0.00 0.00 0.00 176.54 174.51 1pu8 h VAL 178 N 0.44 0.74 -0.95 4.60 2.07 -1.43 -2.95 116.25 118.77 1pu8 h VAL 178 Ca 0.11 -1.12 0.22 0.00 0.82 0.00 0.00 66.70 66.73 1pu8 h VAL 178 Cb 0.01 1.26 -0.12 0.00 -1.52 0.00 0.00 31.29 30.92 1pu8 h VAL 178 CO -0.02 0.20 0.50 1.56 0.02 0.00 0.00 177.57 179.83 1pu8 h GLN 179 N -0.91 0.52 0.00 1.57 4.20 -1.13 0.24 115.11 119.60 1pu8 h GLN 179 Ca -0.02 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1pu8 h GLN 179 Cb 0.50 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1pu8 h GLN 179 CO 0.04 0.34 -0.11 0.93 -0.67 0.00 0.00 178.83 179.36 1pu8 h GLU 180 N 0.53 0.00 -0.73 1.46 5.08 -0.88 -3.19 114.58 116.86 1pu8 h GLU 180 Ca 0.59 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 58.54 1pu8 h GLU 180 Cb 1.07 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.91 1pu8 h GLU 180 CO -0.48 0.11 -0.97 0.09 -1.00 0.00 0.00 179.01 176.76 1pu8 n ASN 181 N -3.25 3.18 0.03 1.42 3.02 0.59 -4.93 115.26 115.32 1pu8 n ASN 181 Ca 0.00 -2.94 -0.11 0.00 -0.03 0.00 0.00 54.58 51.51 1pu8 n ASN 181 Cb 0.37 -0.43 -0.05 0.00 -0.61 0.00 0.00 39.78 39.06 1pu8 n ASN 181 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1pu8 h LEU 182 N 2.48 -0.25 -0.78 3.41 5.85 -0.87 0.18 115.31 125.33 1pu8 h LEU 182 Ca 0.11 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 1pu8 h LEU 182 Cb 1.33 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 1pu8 h LEU 182 CO 0.51 -0.12 0.12 0.78 -0.34 0.00 0.00 178.44 179.39 1pu8 h ASN 183 N -0.13 1.00 0.40 1.25 2.35 -1.90 -0.25 115.58 118.30 1pu8 h ASN 183 Ca 0.05 -0.22 -0.15 0.00 -0.55 0.00 0.00 56.30 55.43 1pu8 h ASN 183 Cb 0.19 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1pu8 h ASN 183 CO -0.11 0.98 -0.62 0.28 -1.65 0.00 0.00 177.43 176.31 1pu8 h SER 184 N 0.99 0.24 0.05 5.81 0.02 -1.85 -1.44 113.55 117.37 1pu8 h SER 184 Ca 0.20 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1pu8 h SER 184 Cb 0.40 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1pu8 h SER 184 CO 0.01 0.80 -0.02 0.00 -1.14 0.00 0.00 176.83 176.48 1pu8 h ALA 185 N 1.20 -0.07 -0.96 3.77 0.00 -0.29 -3.13 119.26 119.78 1pu8 h ALA 185 Ca -0.01 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.77 1pu8 h ALA 185 Cb 1.13 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1pu8 h ALA 185 CO 0.09 -0.32 0.61 -0.07 0.00 0.00 0.00 179.25 179.57 1pu8 h LEU 186 N -0.52 0.92 -1.86 0.00 3.38 -1.06 -2.30 115.31 113.87 1pu8 h LEU 186 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pu8 h LEU 186 Cb 0.46 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1pu8 h LEU 186 CO 0.01 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.10 1pu8 h ALA 187 N 1.51 1.00 0.00 1.53 0.00 -1.24 0.24 119.26 122.30 1pu8 h ALA 187 Ca 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 1pu8 h ALA 187 Cb 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1pu8 h ALA 187 CO -0.19 0.00 -0.03 -0.07 0.00 0.00 0.00 179.25 178.96 1pu8 h LEU 188 N 0.00 0.00 0.00 0.00 3.38 -1.36 -3.40 115.31 113.93 1pu8 h LEU 188 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pu8 h LEU 188 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1pu8 h LEU 188 CO 0.00 0.03 0.00 -1.22 0.09 0.00 0.00 178.44 177.34 1pu8 n TYR 189 N -3.28 0.00 -1.09 1.13 4.01 0.07 -5.04 117.16 112.95 1pu8 n TYR 189 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1pu8 n TYR 189 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 1pu8 n TYR 189 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1pu8 n GLU 190 N 0.00 0.00 -2.07 -0.72 -0.58 -1.20 -4.90 120.64 111.17 1pu8 n GLU 190 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 1pu8 n GLU 190 Cb 0.00 -0.05 -0.01 0.00 -0.57 0.00 0.00 31.44 30.81 1pu8 n GLU 190 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1pu8 n ASN 191 N 0.00 -3.45 -0.08 1.62 3.02 -1.22 -4.98 115.26 110.17 1pu8 n ASN 191 Ca 0.00 0.02 -0.19 0.00 -0.03 0.00 0.00 54.58 54.38 1pu8 n ASN 191 Cb 0.09 -2.60 -0.13 0.00 -0.61 0.00 0.00 39.78 36.53 1pu8 n ASN 191 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1pu8 n THR 192 N -3.84 1.61 -4.02 3.41 -2.24 -1.26 -5.03 114.28 102.91 1pu8 n THR 192 Ca -0.12 -0.61 -0.21 0.00 -2.27 0.00 0.00 64.05 60.85 1pu8 n THR 192 Cb 0.56 -1.54 -0.03 0.00 -2.10 0.00 0.00 70.33 67.22 1pu8 n THR 192 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1pu8 s ILE 193 N -2.54 4.82 0.61 2.28 -4.36 -1.26 -5.11 121.20 115.65 1pu8 s ILE 193 Ca -0.30 -1.18 -0.06 0.00 -0.26 0.00 0.00 60.65 58.85 1pu8 s ILE 193 Cb 0.08 -3.63 0.02 0.00 1.25 0.00 0.00 42.46 40.18 1pu8 s ILE 193 CO 0.67 -0.33 0.92 -0.94 0.24 0.00 0.00 174.94 175.50 1pu8 s SER 194 N -3.93 5.45 0.30 4.36 1.04 -1.26 -4.91 113.70 114.74 1pu8 s SER 194 Ca 0.34 0.67 0.01 0.00 0.48 0.00 0.00 55.95 57.45 1pu8 s SER 194 Cb -0.08 -1.59 0.47 0.00 0.10 0.00 0.00 66.02 64.91 1pu8 s SER 194 CO 0.27 -1.17 1.82 0.25 0.98 0.00 0.00 173.24 175.40 1pu8 h LEU 195 N -0.26 0.64 -0.75 2.42 5.85 -1.99 -0.35 115.31 120.87 1pu8 h LEU 195 Ca -0.45 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1pu8 h LEU 195 Cb 1.27 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1pu8 h LEU 195 CO 0.61 0.69 0.47 0.00 -0.34 0.00 0.00 178.44 179.87 1pu8 h ALA 196 N 1.39 0.95 -0.44 1.25 0.00 -1.88 -0.41 119.26 120.12 1pu8 h ALA 196 Ca 0.13 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1pu8 h ALA 196 Cb 0.37 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1pu8 h ALA 196 CO 0.01 0.40 -0.25 0.37 0.00 0.00 0.00 179.25 179.78 1pu8 h GLN 197 N 1.02 0.91 -0.36 0.00 4.15 -1.81 0.70 115.11 119.72 1pu8 h GLN 197 Ca 0.27 -0.40 0.05 0.00 0.77 0.00 0.00 58.65 59.34 1pu8 h GLN 197 Cb -0.07 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.55 1pu8 h GLN 197 CO -0.05 1.05 0.11 1.25 -1.93 0.00 0.00 178.83 179.26 1pu8 h LEU 198 N 0.78 0.10 -0.31 -2.39 6.46 -0.69 0.95 115.31 120.20 1pu8 h LEU 198 Ca 0.10 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1pu8 h LEU 198 Cb 0.81 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 1pu8 h LEU 198 CO 0.07 0.09 0.11 1.88 -0.62 0.00 0.00 178.44 179.97 1pu8 h TYR 199 N 0.25 0.49 -0.72 1.25 0.99 -0.90 0.40 116.97 118.73 1pu8 h TYR 199 Ca 0.16 -0.04 0.16 0.00 2.00 0.00 0.00 58.73 61.01 1pu8 h TYR 199 Cb 0.16 -0.14 -0.11 0.00 1.00 0.00 0.00 36.73 37.63 1pu8 h TYR 199 CO -0.16 0.49 0.10 0.00 -0.00 0.00 0.00 178.16 178.60 1pu8 h ALA 200 N 0.95 0.85 -0.03 3.88 0.00 -0.46 -0.60 119.26 123.85 1pu8 h ALA 200 Ca 0.10 0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.97 1pu8 h ALA 200 Cb 0.22 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1pu8 h ALA 200 CO -0.01 -0.38 -0.92 0.00 0.00 0.00 0.00 179.25 177.95 1pu8 h ARG 201 N 0.19 0.52 0.06 0.00 3.08 -0.40 -2.55 114.38 115.28 1pu8 h ARG 201 Ca 0.40 -0.52 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1pu8 h ARG 201 Cb 0.68 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1pu8 h ARG 201 CO -0.55 1.16 -0.03 0.35 -1.07 0.00 0.00 179.97 179.82 1pu8 h PHE 202 N 0.31 -0.08 -0.81 3.04 -0.00 0.33 -1.98 116.94 117.76 1pu8 h PHE 202 Ca -0.08 -0.00 0.02 0.00 -0.00 0.00 0.00 57.97 57.91 1pu8 h PHE 202 Cb 1.55 0.03 -0.04 0.00 -0.00 0.00 0.00 35.95 37.48 1pu8 h PHE 202 CO 0.07 0.11 0.52 1.25 -0.00 0.00 0.00 178.31 180.27 1pu8 h HIS 203 N -0.26 0.99 0.00 0.41 2.76 -1.20 -2.44 115.15 115.41 1pu8 h HIS 203 Ca -0.01 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1pu8 h HIS 203 Cb 0.23 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 28.86 1pu8 h HIS 203 CO -0.02 0.59 0.00 0.41 -1.30 0.00 0.00 177.93 177.62 1pu8 n GLY 204 N -1.32 0.00 0.84 5.26 0.00 -0.75 -1.44 105.19 107.79 1pu8 n GLY 204 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1pu8 n GLY 204 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pu8 n ILE 206 N 0.54 0.00 0.05 -0.61 5.41 -0.92 -0.74 119.36 123.09 1pu8 n ILE 206 Ca 0.00 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.64 1pu8 n ILE 206 Cb 0.00 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 38.88 1pu8 n ILE 206 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1pu8 h VAL 207 N 0.00 0.67 -0.06 1.39 2.07 -1.53 0.28 116.25 119.07 1pu8 h VAL 207 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1pu8 h VAL 207 Cb 0.00 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1pu8 h VAL 207 CO 0.00 0.00 0.03 -0.33 0.02 0.00 0.00 177.57 177.29 1pu8 h GLU 208 N -0.22 0.08 -0.77 1.57 4.39 -1.20 -1.22 114.58 117.22 1pu8 h GLU 208 Ca 0.05 -0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.91 1pu8 h GLU 208 Cb 0.28 -0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 28.80 1pu8 h GLU 208 CO -0.14 0.12 0.21 0.35 -1.16 0.00 0.00 179.01 178.40 1pu8 h PHE 209 N 0.02 0.34 -0.34 4.33 3.57 -1.75 -1.00 116.94 122.10 1pu8 h PHE 209 Ca 0.02 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1pu8 h PHE 209 Cb 0.06 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1pu8 h PHE 209 CO -0.05 -0.08 -0.03 0.77 -2.23 0.00 0.00 178.31 176.69 1pu8 h SER 210 N 0.29 0.62 -0.68 0.41 0.02 -0.26 -2.64 113.55 111.31 1pu8 h SER 210 Ca 0.45 -0.33 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1pu8 h SER 210 Cb 0.78 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 1pu8 h SER 210 CO -0.52 0.80 0.19 0.11 -1.14 0.00 0.00 176.83 176.28 1pu8 h LYS 211 N 0.43 1.08 0.00 3.45 1.57 -0.71 -2.94 116.57 119.45 1pu8 h LYS 211 Ca 0.09 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1pu8 h LYS 211 Cb 0.50 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1pu8 h LYS 211 CO 0.02 0.94 0.00 1.04 -0.57 0.00 0.00 179.45 180.88 1pu8 n GLN 212 N -4.25 0.02 -3.57 3.15 6.02 -0.43 -4.94 117.38 113.38 1pu8 n GLN 212 Ca 0.05 0.13 -0.22 0.00 -0.01 0.00 0.00 57.00 56.96 1pu8 n GLN 212 Cb 0.24 -1.50 0.08 0.00 1.02 0.00 0.00 30.24 30.08 1pu8 n GLN 212 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1pu8 n LYS 213 N -1.49 -7.36 -2.53 -1.09 4.76 -1.01 -5.01 118.16 104.43 1pu8 n LYS 213 Ca 0.05 0.82 -0.23 0.00 -2.87 0.00 0.00 58.31 56.08 1pu8 n LYS 213 Cb 0.24 -5.84 0.09 0.00 -1.84 0.00 0.00 35.03 27.68 1pu8 n LYS 213 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1pu8 s LEU 214 N -7.01 3.02 -0.08 -0.35 1.43 -1.20 -5.10 118.68 109.39 1pu8 s LEU 214 Ca 0.40 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 1pu8 s LEU 214 Cb -0.18 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.72 1pu8 s LEU 214 CO 0.74 -1.69 -0.18 -1.61 0.23 0.00 0.00 176.35 173.83 1pu8 s GLU 215 N -5.09 2.27 0.00 1.70 0.41 -1.26 -5.00 118.70 111.74 1pu8 s GLU 215 Ca 0.64 -0.64 0.15 0.00 -0.41 0.00 0.00 54.97 54.71 1pu8 s GLU 215 Cb -0.07 -1.80 0.92 0.00 -1.78 0.00 0.00 34.13 31.39 1pu8 s GLU 215 CO 0.43 0.13 1.33 -0.11 -0.49 0.00 0.00 175.26 176.55