#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pu8 s ASP 3 N 0.00 3.11 0.27 1.96 1.47 -1.26 -5.05 116.67 117.17 1pu8 s ASP 3 Ca 0.00 -1.50 0.25 0.00 1.18 0.00 0.00 52.55 52.48 1pu8 s ASP 3 Cb 0.00 0.10 0.95 0.00 -0.34 0.00 0.00 42.92 43.64 1pu8 s ASP 3 CO 0.00 -0.70 1.75 0.77 0.68 0.00 0.00 175.17 177.67 1pu8 h SER 4 N 1.82 0.00 -0.13 2.11 4.64 -1.86 -2.74 113.55 117.40 1pu8 h SER 4 Ca -0.41 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.84 1pu8 h SER 4 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1pu8 h SER 4 CO 0.70 0.00 -0.18 0.15 -0.87 0.00 0.00 176.83 176.62 1pu8 h PHE 5 N 0.00 0.44 -0.77 4.77 -0.00 -1.89 -0.86 116.94 118.62 1pu8 h PHE 5 Ca 0.00 -0.14 0.03 0.00 -0.00 0.00 0.00 57.97 57.86 1pu8 h PHE 5 Cb 0.49 -0.09 -0.05 0.00 -0.00 0.00 0.00 35.95 36.30 1pu8 h PHE 5 CO 0.00 0.79 0.49 0.93 -0.00 0.00 0.00 178.31 180.52 1pu8 h GLU 6 N -0.05 0.92 -0.50 1.11 4.39 -1.89 -1.62 114.58 116.96 1pu8 h GLU 6 Ca 0.01 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.67 1pu8 h GLU 6 Cb 0.74 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 1pu8 h GLU 6 CO 0.04 0.61 0.32 0.82 -1.16 0.00 0.00 179.01 179.64 1pu8 h ILE 7 N 0.95 1.11 -0.68 3.13 2.04 -1.44 -2.04 117.51 120.58 1pu8 h ILE 7 Ca 0.31 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 1pu8 h ILE 7 Cb 0.02 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1pu8 h ILE 7 CO -0.11 0.12 0.39 0.25 0.00 0.00 0.00 178.15 178.79 1pu8 h LEU 8 N 0.66 0.84 -0.26 1.44 5.85 -0.68 0.78 115.31 123.93 1pu8 h LEU 8 Ca 0.19 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1pu8 h LEU 8 Cb -0.06 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1pu8 h LEU 8 CO -0.05 0.68 -0.01 0.11 -0.34 0.00 0.00 178.44 178.84 1pu8 h LYS 9 N 0.93 0.47 -0.62 1.25 1.57 -1.18 0.13 116.57 119.13 1pu8 h LYS 9 Ca 0.24 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1pu8 h LYS 9 Cb 0.02 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1pu8 h LYS 9 CO -0.04 0.64 0.41 0.00 -0.57 0.00 0.00 179.45 179.88 1pu8 h ALA 10 N 0.81 0.79 -0.41 3.86 0.00 -1.19 -2.04 119.26 121.07 1pu8 h ALA 10 Ca 0.07 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1pu8 h ALA 10 Cb 0.43 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1pu8 h ALA 10 CO 0.01 0.20 -0.09 -0.07 0.00 0.00 0.00 179.25 179.31 1pu8 h LEU 11 N 0.82 0.79 -0.90 0.00 3.38 -0.70 -3.22 115.31 115.49 1pu8 h LEU 11 Ca 0.23 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1pu8 h LEU 11 Cb -0.07 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 1pu8 h LEU 11 CO -0.06 0.96 0.60 0.50 0.09 0.00 0.00 178.44 180.53 1pu8 h LYS 12 N 0.61 1.18 0.00 1.13 3.64 -0.51 -0.70 116.57 121.91 1pu8 h LYS 12 Ca 0.11 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1pu8 h LYS 12 Cb 0.61 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1pu8 h LYS 12 CO 0.04 0.78 0.00 -1.13 -2.27 0.00 0.00 179.45 176.87 1pu8 n SER 13 N -4.46 0.41 -0.06 4.20 3.41 -0.79 -1.94 113.62 114.39 1pu8 n SER 13 Ca 0.10 0.62 0.15 0.00 -0.26 0.00 0.00 58.87 59.48 1pu8 n SER 13 Cb 0.02 -0.70 0.73 0.00 -0.26 0.00 0.00 64.21 64.00 1pu8 n SER 13 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1pu8 n LEU 14 N -1.98 0.24 -3.94 1.04 4.77 -0.27 -4.94 117.00 111.92 1pu8 n LEU 14 Ca 0.02 0.09 -0.28 0.00 -0.03 0.00 0.00 56.01 55.81 1pu8 n LEU 14 Cb 0.16 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1pu8 n LEU 14 CO 0.14 0.04 -0.22 -0.67 -1.33 0.00 0.00 177.39 175.35 1pu8 n ASP 15 N -1.04 -1.13 0.18 -1.43 2.03 -0.82 -4.89 116.55 109.45 1pu8 n ASP 15 Ca 0.17 -1.04 0.12 0.00 0.52 0.00 0.00 54.79 54.56 1pu8 n ASP 15 Cb 0.23 -2.95 0.18 0.00 -0.72 0.00 0.00 41.12 37.86 1pu8 n ASP 15 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1pu8 h LEU 16 N -1.88 0.00 -3.55 -2.67 3.38 -1.82 -3.26 115.31 105.52 1pu8 h LEU 16 Ca -0.64 -0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.03 1pu8 h LEU 16 Cb 1.38 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.95 1pu8 h LEU 16 CO 0.60 0.00 0.11 0.18 0.09 0.00 0.00 178.44 179.43 1pu8 n LEU 17 N -2.90 4.92 -0.11 1.67 4.77 -1.26 -4.75 117.00 119.34 1pu8 n LEU 17 Ca 0.04 -3.79 -0.06 0.00 -0.03 0.00 0.00 56.01 52.16 1pu8 n LEU 17 Cb 0.52 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1pu8 n LEU 17 CO 0.34 1.25 0.70 0.50 -1.33 0.00 0.00 177.39 178.85 1pu8 h LYS 18 N 1.06 -0.17 -0.56 3.23 3.64 -1.96 -2.73 116.57 119.07 1pu8 h LYS 18 Ca 0.35 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.65 1pu8 h LYS 18 Cb 1.94 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.75 1pu8 h LYS 18 CO 0.62 -0.11 0.09 0.09 -2.27 0.00 0.00 179.45 177.87 1pu8 n ASN 19 N -5.39 4.94 -4.85 4.20 3.02 -1.26 -4.97 115.26 110.94 1pu8 n ASN 19 Ca 0.02 -3.09 -0.32 0.00 -0.03 0.00 0.00 54.58 51.15 1pu8 n ASN 19 Cb 0.30 -0.68 -0.05 0.00 -0.61 0.00 0.00 39.78 38.74 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 -2.89 3.80 1.08 5.41 0.00 -1.03 -5.11 121.76 123.02 1pu8 s ALA 20 Ca 0.52 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 51.48 1pu8 s ALA 20 Cb 0.41 -1.69 0.23 0.00 0.00 0.00 0.00 23.12 22.08 1pu8 s ALA 20 CO 0.13 0.77 1.06 -1.25 0.00 0.00 0.00 175.76 176.47 1pu8 s PRO 21 N -2.22 -0.22 0.36 0.00 0.04 -1.26 -4.81 135.00 126.88 1pu8 s PRO 21 Ca 0.30 0.87 0.17 0.00 0.04 0.00 0.00 61.00 62.37 1pu8 s PRO 21 Cb -0.13 -1.63 1.12 0.00 0.04 0.00 0.00 34.50 33.90 1pu8 s PRO 21 CO 0.22 -3.26 1.68 0.00 0.04 0.00 0.00 177.00 175.68 1pu8 h ALA 22 N -2.29 2.08 -0.41 8.56 0.00 -1.97 0.41 119.26 125.64 1pu8 h ALA 22 Ca -0.57 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1pu8 h ALA 22 Cb 1.32 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1pu8 h ALA 22 CO 0.51 -0.65 0.00 0.91 0.00 0.00 0.00 179.25 180.02 1pu8 n TRP 23 N -4.93 1.02 0.00 0.00 7.02 -1.26 -4.84 117.44 114.45 1pu8 n TRP 23 Ca 0.31 -0.69 0.00 0.00 -1.02 0.00 0.00 57.50 56.10 1pu8 n TRP 23 Cb 1.01 -0.23 0.00 0.00 -2.42 0.00 0.00 31.31 29.67 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 0.30 0.00 -2.00 -5.99 -0.00 0.13 -4.51 117.44 105.37 1pu8 n TRP 24 Ca 0.20 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.28 1pu8 n TRP 24 Cb 0.78 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 32.06 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 2.32 0.24 5.87 -0.11 -1.26 -4.29 118.94 121.70 1pu8 s TRP 25 Ca 0.00 0.34 -0.30 0.00 1.22 0.00 0.00 56.10 57.36 1pu8 s TRP 25 Cb 0.00 -3.90 -0.10 0.00 -1.50 0.00 0.00 33.47 27.97 1pu8 s TRP 25 CO 0.00 -3.66 1.48 -2.14 -4.62 0.00 0.00 176.95 168.01 1pu8 s PRO 26 N 3.11 4.24 -1.23 5.86 0.02 -1.26 -2.30 135.00 143.44 1pu8 s PRO 26 Ca 0.72 2.34 -0.07 0.00 0.02 0.00 0.00 61.00 64.02 1pu8 s PRO 26 Cb -0.36 -3.11 0.01 0.00 0.02 0.00 0.00 34.50 31.06 1pu8 s PRO 26 CO 0.31 -0.48 0.92 0.09 -0.33 0.00 0.00 177.00 177.51 1pu8 n ASN 27 N 2.61 -5.79 -4.63 2.53 5.03 -1.26 -4.73 115.26 109.03 1pu8 n ASN 27 Ca 0.08 -0.42 -0.37 0.00 0.87 0.00 0.00 54.58 54.74 1pu8 n ASN 27 Cb 0.40 -4.45 0.07 0.00 -1.02 0.00 0.00 39.78 34.77 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 -4.38 0.17 -1.14 5.41 0.00 -0.97 -3.07 120.51 116.53 1pu8 n ALA 28 Ca -0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 53.44 53.31 1pu8 n ALA 28 Cb 0.57 -2.14 -0.02 0.00 0.00 0.00 0.00 19.45 17.85 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 -1.26 -0.27 -4.35 0.00 4.77 0.25 -4.97 117.00 111.17 1pu8 n LEU 29 Ca 0.14 0.12 -0.18 0.00 -0.03 0.00 0.00 56.01 56.06 1pu8 n LEU 29 Cb 0.48 -1.21 -0.10 0.00 -2.33 0.00 0.00 43.42 40.26 1pu8 n LEU 29 CO 0.48 -0.33 -0.39 -0.54 -1.33 0.00 0.00 177.39 175.28 1pu8 s LYS 30 N -2.06 1.34 0.31 3.23 1.02 -1.17 -4.93 119.74 117.48 1pu8 s LYS 30 Ca 0.00 -1.64 0.06 0.00 0.02 0.00 0.00 55.97 54.41 1pu8 s LYS 30 Cb 0.00 -0.91 0.71 0.00 -0.52 0.00 0.00 37.83 37.11 1pu8 s LYS 30 CO 0.00 0.05 1.82 0.35 -0.92 0.00 0.00 175.35 176.65 1pu8 h PHE 31 N 2.50 1.02 -0.89 3.18 3.04 -1.93 0.83 116.94 124.69 1pu8 h PHE 31 Ca -0.38 0.03 0.20 0.00 3.98 0.00 0.00 57.97 61.80 1pu8 h PHE 31 Cb 1.22 -0.31 -0.07 0.00 2.56 0.00 0.00 35.95 39.35 1pu8 h PHE 31 CO 0.66 0.32 0.59 1.49 -2.02 0.00 0.00 178.31 179.35 1pu8 h GLU 32 N 0.81 0.39 -0.46 1.11 4.81 -1.96 -0.94 114.58 118.34 1pu8 h GLU 32 Ca 0.52 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.61 1pu8 h GLU 32 Cb 0.75 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1pu8 h GLU 32 CO -0.29 0.26 -0.18 0.00 -0.73 0.00 0.00 179.01 178.06 1pu8 h ALA 33 N 1.61 0.80 -0.33 2.92 0.00 -0.92 -0.18 119.26 123.15 1pu8 h ALA 33 Ca 0.46 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1pu8 h ALA 33 Cb 1.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1pu8 h ALA 33 CO -0.17 0.66 0.17 1.25 0.00 0.00 0.00 179.25 181.15 1pu8 h LEU 34 N 0.80 0.42 0.02 0.00 6.46 -1.20 0.13 115.31 121.94 1pu8 h LEU 34 Ca 0.11 -0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.79 1pu8 h LEU 34 Cb 0.73 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 1pu8 h LEU 34 CO 0.06 0.40 -0.11 -0.07 -0.62 0.00 0.00 178.44 178.10 1pu8 h LEU 35 N 0.40 -0.31 -1.35 2.25 3.38 -1.15 -1.68 115.31 116.86 1pu8 h LEU 35 Ca 0.11 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.25 1pu8 h LEU 35 Cb 0.08 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1pu8 h LEU 35 CO -0.02 -0.16 0.54 1.23 0.09 0.00 0.00 178.44 180.13 1pu8 h GLY 36 N -0.20 1.08 1.72 0.83 0.00 -0.85 0.45 103.07 106.10 1pu8 h GLY 36 Ca 0.03 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1pu8 h GLY 36 CO -0.10 0.12 -0.21 0.00 0.00 0.00 0.00 176.54 176.35 1pu8 h ALA 37 N 1.60 1.29 0.16 3.60 0.00 0.18 -1.18 119.26 124.92 1pu8 h ALA 37 Ca 0.40 -0.29 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 1pu8 h ALA 37 Cb 0.62 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.32 1pu8 h ALA 37 CO -0.17 0.47 -1.03 0.28 0.00 0.00 0.00 179.25 178.81 1pu8 h VAL 38 N 0.30 1.40 0.00 0.00 2.07 -0.88 -3.38 116.25 115.76 1pu8 h VAL 38 Ca 0.05 -2.55 -0.04 0.00 0.82 0.00 0.00 66.70 64.98 1pu8 h VAL 38 Cb 0.55 3.10 -0.01 0.00 -1.52 0.00 0.00 31.29 33.42 1pu8 h VAL 38 CO 0.04 0.73 -0.21 -0.07 0.02 0.00 0.00 177.57 178.08 1pu8 h LEU 39 N -0.27 0.00 -1.64 2.57 3.38 -0.67 -3.16 115.31 115.53 1pu8 h LEU 39 Ca -0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1pu8 h LEU 39 Cb 1.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.51 1pu8 h LEU 39 CO 0.16 0.21 -0.02 0.00 0.09 0.00 0.00 178.44 178.88 1pu8 h THR 40 N 0.00 0.06 -1.93 0.22 1.03 -1.39 -3.45 112.91 107.45 1pu8 h THR 40 Ca -0.00 -0.50 -0.64 0.00 -0.01 0.00 0.00 66.41 65.26 1pu8 h THR 40 Cb 0.90 1.46 0.02 0.00 -1.07 0.00 0.00 68.15 69.46 1pu8 h THR 40 CO 0.03 0.02 1.07 1.67 -0.01 0.00 0.00 175.52 178.30 1pu8 n GLN 41 N -3.13 1.98 -2.17 0.00 7.27 -1.20 -2.44 117.38 117.69 1pu8 n GLN 41 Ca 0.00 0.73 -0.13 0.00 0.07 0.00 0.00 57.00 57.66 1pu8 n GLN 41 Cb 0.28 -2.54 -0.01 0.00 2.41 0.00 0.00 30.24 30.38 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 6.45 -4.15 -4.01 1.69 3.02 -1.26 -4.98 115.26 112.01 1pu8 n ASN 42 Ca 0.23 0.02 -0.10 0.00 -0.03 0.00 0.00 54.58 54.71 1pu8 n ASN 42 Cb 0.26 -3.29 -0.06 0.00 -0.61 0.00 0.00 39.78 36.08 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 -2.64 0.01 0.31 3.41 -1.32 -1.02 -5.01 115.64 109.37 1pu8 s THR 43 Ca 0.00 -1.46 -0.23 0.00 -1.21 0.00 0.00 61.69 58.78 1pu8 s THR 43 Cb 0.00 -2.17 -0.10 0.00 -1.51 0.00 0.00 72.50 68.73 1pu8 s THR 43 CO 0.00 -0.05 0.88 -1.59 -2.21 0.00 0.00 174.62 171.65 1pu8 s LYS 44 N -4.03 4.43 0.49 7.08 0.00 -1.26 -4.95 119.74 121.51 1pu8 s LYS 44 Ca 0.24 1.16 0.21 0.00 0.00 0.00 0.00 55.97 57.57 1pu8 s LYS 44 Cb 0.01 -2.74 1.27 0.00 0.00 0.00 0.00 37.83 36.37 1pu8 s LYS 44 CO 0.08 0.27 2.06 0.35 0.00 0.00 0.00 175.35 178.11 1pu8 h PHE 45 N 3.06 0.00 -0.96 1.78 3.04 -1.98 -1.32 116.94 120.56 1pu8 h PHE 45 Ca -0.47 0.00 0.10 0.00 3.98 0.00 0.00 57.97 61.58 1pu8 h PHE 45 Cb 1.19 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 39.62 1pu8 h PHE 45 CO 0.62 0.13 0.59 0.93 -2.02 0.00 0.00 178.31 178.56 1pu8 h GLU 46 N 0.00 0.95 -0.47 1.11 4.39 -2.00 -0.17 114.58 118.39 1pu8 h GLU 46 Ca -0.00 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.51 1pu8 h GLU 46 Cb 0.26 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1pu8 h GLU 46 CO 0.02 0.63 -0.22 0.00 -1.16 0.00 0.00 179.01 178.28 1pu8 h ALA 47 N 1.50 0.66 -0.90 3.43 0.00 -1.55 -2.32 119.26 120.08 1pu8 h ALA 47 Ca 0.46 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1pu8 h ALA 47 Cb 0.40 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1pu8 h ALA 47 CO -0.24 0.65 0.57 0.28 0.00 0.00 0.00 179.25 180.51 1pu8 h VAL 48 N 0.82 1.10 -0.70 0.00 2.07 -1.15 0.70 116.25 119.10 1pu8 h VAL 48 Ca 0.11 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1pu8 h VAL 48 Cb 0.79 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1pu8 h VAL 48 CO 0.07 0.20 0.17 -0.07 0.02 0.00 0.00 177.57 177.96 1pu8 h LEU 49 N 1.08 1.05 -0.26 2.57 4.07 -0.71 0.42 115.31 123.52 1pu8 h LEU 49 Ca 0.38 -0.23 -0.04 0.00 0.08 0.00 0.00 57.88 58.07 1pu8 h LEU 49 Cb 0.10 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.55 1pu8 h LEU 49 CO -0.15 1.01 0.01 0.50 -1.08 0.00 0.00 178.44 178.73 1pu8 h LYS 50 N 1.05 0.46 -0.43 1.13 1.63 -0.92 0.90 116.57 120.39 1pu8 h LYS 50 Ca 0.22 -0.14 0.08 0.00 -0.85 0.00 0.00 60.65 59.96 1pu8 h LYS 50 Cb 0.37 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.88 1pu8 h LYS 50 CO 0.00 0.62 -0.05 0.77 -3.45 0.00 0.00 179.45 177.34 1pu8 h SER 51 N 0.25 -0.27 -0.56 4.20 0.02 -0.55 -0.63 113.55 116.01 1pu8 h SER 51 Ca 0.08 0.11 0.07 0.00 -0.84 0.00 0.00 61.79 61.20 1pu8 h SER 51 Cb 0.40 0.22 -0.06 0.00 0.14 0.00 0.00 62.40 63.10 1pu8 h SER 51 CO 0.01 -0.09 0.25 -0.07 -1.14 0.00 0.00 176.83 175.79 1pu8 h LEU 52 N 0.06 0.32 -1.44 5.07 3.38 -0.72 -1.66 115.31 120.33 1pu8 h LEU 52 Ca 0.21 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.29 1pu8 h LEU 52 Cb 0.31 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1pu8 h LEU 52 CO -0.39 0.21 0.44 -0.33 0.09 0.00 0.00 178.44 178.46 1pu8 h GLU 53 N 0.47 0.67 -0.69 1.13 4.39 0.02 -1.28 114.58 119.29 1pu8 h GLU 53 Ca 0.26 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.87 1pu8 h GLU 53 Cb 0.23 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1pu8 h GLU 53 CO -0.22 0.45 0.25 -0.91 -1.16 0.00 0.00 179.01 177.42 1pu8 h ASN 54 N 0.69 0.98 -0.49 1.42 2.35 -0.23 -0.27 115.58 120.03 1pu8 h ASN 54 Ca 0.28 -0.19 -0.13 0.00 -0.55 0.00 0.00 56.30 55.72 1pu8 h ASN 54 Cb 0.24 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1pu8 h ASN 54 CO -0.09 0.90 -0.19 -0.07 -1.65 0.00 0.00 177.43 176.33 1pu8 h LEU 55 N 1.00 1.02 0.06 1.61 3.38 -0.76 -1.67 115.31 119.95 1pu8 h LEU 55 Ca 0.23 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1pu8 h LEU 55 Cb 0.25 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1pu8 h LEU 55 CO -0.01 1.18 -0.03 0.11 0.09 0.00 0.00 178.44 179.77 1pu8 h LYS 56 N 0.85 -0.08 0.00 1.13 1.57 -1.02 0.33 116.57 119.35 1pu8 h LYS 56 Ca 0.11 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1pu8 h LYS 56 Cb 0.77 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 1pu8 h LYS 56 CO 0.06 0.17 -0.00 -0.91 -0.57 0.00 0.00 179.45 178.20 1pu8 h ASN 57 N -0.32 0.00 -0.07 0.86 2.35 -1.04 -1.49 115.58 115.87 1pu8 h ASN 57 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1pu8 h ASN 57 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1pu8 h ASN 57 CO 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.80 1pu8 n ALA 58 N -2.45 2.57 -1.03 -0.83 0.00 -0.63 -4.90 120.51 113.24 1pu8 n ALA 58 Ca -0.03 -0.42 -0.01 0.00 0.00 0.00 0.00 53.44 52.98 1pu8 n ALA 58 Cb 0.09 -1.19 -0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 0.02 0.00 0.01 0.00 3.01 -0.56 -4.90 117.46 115.04 1pu8 n PHE 59 Ca 0.18 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.44 1pu8 n PHE 59 Cb 0.29 -0.72 -0.14 0.00 -0.01 0.00 0.00 39.48 38.90 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 1.38 -3.63 4.37 2.04 -1.16 -3.43 117.51 117.07 1pu8 h ILE 60 Ca -0.02 -2.45 -0.68 0.00 1.00 0.00 0.00 64.86 62.71 1pu8 h ILE 60 Cb 0.32 3.03 -0.23 0.00 -0.74 0.00 0.00 36.82 39.19 1pu8 h ILE 60 CO 0.03 0.67 -0.55 -0.22 0.00 0.00 0.00 178.15 178.08 1pu8 s LEU 61 N -7.83 4.26 0.00 1.44 2.96 -0.93 -4.69 118.68 113.90 1pu8 s LEU 61 Ca -0.17 -0.67 0.00 0.00 -0.22 0.00 0.00 54.13 53.07 1pu8 s LEU 61 Cb 0.02 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.71 1pu8 s LEU 61 CO 0.78 -0.25 0.00 -0.62 -1.32 0.00 0.00 176.35 174.94 1pu8 n GLU 62 N 4.98 2.89 0.00 1.98 1.02 -1.26 -4.11 120.64 126.14 1pu8 n GLU 62 Ca -0.13 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.12 1pu8 n GLU 62 Cb 0.48 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 32.01 1pu8 n GLU 62 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1pu8 n ASN 63 N 0.00 2.18 -4.32 1.62 3.02 -1.26 -4.75 115.26 111.75 1pu8 n ASN 63 Ca 0.00 -1.60 -0.39 0.00 -0.03 0.00 0.00 54.58 52.56 1pu8 n ASN 63 Cb 0.00 0.26 -0.12 0.00 -0.61 0.00 0.00 39.78 39.31 1pu8 n ASN 63 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pu8 s ASP 64 N -2.30 5.52 0.51 6.41 3.68 -1.26 -4.99 116.67 124.25 1pu8 s ASP 64 Ca 0.23 -1.09 0.17 0.00 2.13 0.00 0.00 52.55 53.99 1pu8 s ASP 64 Cb 0.19 -1.94 1.26 0.00 -1.45 0.00 0.00 42.92 40.98 1pu8 s ASP 64 CO 0.47 -0.36 2.13 0.44 0.13 0.00 0.00 175.17 177.97 1pu8 h ASP 65 N 8.33 0.00 -0.55 -0.34 3.45 -1.98 0.18 116.42 125.51 1pu8 h ASP 65 Ca -0.24 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.13 1pu8 h ASP 65 Cb 1.09 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.84 1pu8 h ASP 65 CO 0.64 0.04 0.03 -0.33 -1.57 0.00 0.00 179.24 178.04 1pu8 h GLU 66 N 0.00 0.98 -0.29 3.56 4.39 -2.00 -1.10 114.58 120.12 1pu8 h GLU 66 Ca -0.00 -0.28 -0.13 0.00 0.34 0.00 0.00 59.36 59.28 1pu8 h GLU 66 Cb 0.07 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1pu8 h GLU 66 CO 0.00 0.95 -0.33 0.82 -1.16 0.00 0.00 179.01 179.29 1pu8 h ILE 67 N 0.91 1.30 -0.71 3.13 2.04 -1.67 -2.95 117.51 119.56 1pu8 h ILE 67 Ca 0.17 -1.51 0.05 0.00 1.00 0.00 0.00 64.86 64.57 1pu8 h ILE 67 Cb 0.49 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 38.11 1pu8 h ILE 67 CO 0.02 0.49 0.42 0.78 0.00 0.00 0.00 178.15 179.86 1pu8 h ASN 68 N 0.49 0.65 -0.25 1.72 -0.26 -0.52 0.75 115.58 118.17 1pu8 h ASN 68 Ca 0.04 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1pu8 h ASN 68 Cb 0.92 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 38.05 1pu8 h ASN 68 CO 0.08 0.42 0.15 0.25 -1.06 0.00 0.00 177.43 177.27 1pu8 h LEU 69 N 0.78 0.30 -0.70 1.61 5.85 -1.19 -1.47 115.31 120.49 1pu8 h LEU 69 Ca 0.31 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 1pu8 h LEU 69 Cb 0.15 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1pu8 h LEU 69 CO -0.16 0.26 0.27 0.11 -0.34 0.00 0.00 178.44 178.57 1pu8 h LYS 70 N 0.31 1.06 -0.78 1.25 1.57 -1.28 -0.92 116.57 117.78 1pu8 h LYS 70 Ca 0.09 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1pu8 h LYS 70 Cb 0.01 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.12 1pu8 h LYS 70 CO -0.02 0.89 0.43 0.87 -0.57 0.00 0.00 179.45 181.04 1pu8 h LYS 71 N 1.01 1.09 -0.24 3.15 1.57 -0.59 0.11 116.57 122.67 1pu8 h LYS 71 Ca 0.23 -0.12 -0.16 0.00 -1.87 0.00 0.00 60.65 58.73 1pu8 h LYS 71 Cb 0.23 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1pu8 h LYS 71 CO -0.02 0.80 -0.47 0.82 -0.57 0.00 0.00 179.45 180.01 1pu8 h ILE 72 N 1.09 1.30 -0.78 1.86 1.08 -1.04 0.64 117.51 121.66 1pu8 h ILE 72 Ca 0.28 -1.68 -0.01 0.00 -0.39 0.00 0.00 64.86 63.06 1pu8 h ILE 72 Cb 0.03 1.76 -0.04 0.00 -3.07 0.00 0.00 36.82 35.50 1pu8 h ILE 72 CO -0.04 0.53 0.44 0.00 -0.69 0.00 0.00 178.15 178.39 1pu8 h ALA 73 N 0.63 1.31 -0.03 1.87 0.00 -0.66 -3.10 119.26 119.28 1pu8 h ALA 73 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1pu8 h ALA 73 Cb 1.08 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1pu8 h ALA 73 CO 0.11 0.58 -0.01 0.66 0.00 0.00 0.00 179.25 180.58 1pu8 n TYR 74 N -4.36 0.00 -1.94 0.00 4.01 0.33 -4.78 117.16 110.43 1pu8 n TYR 74 Ca 0.08 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.45 1pu8 n TYR 74 Cb 0.09 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.15 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 -1.72 2.43 0.17 -0.72 2.07 0.21 -4.97 121.20 118.66 1pu8 s ILE 75 Ca 0.24 0.30 -0.31 0.00 -1.41 0.00 0.00 60.65 59.47 1pu8 s ILE 75 Cb 0.17 -3.14 -0.09 0.00 0.13 0.00 0.00 42.46 39.54 1pu8 s ILE 75 CO 0.26 -0.03 1.41 -0.70 -1.91 0.00 0.00 174.94 173.97 1pu8 s GLU 76 N -3.07 4.31 0.19 3.50 2.56 -1.26 -4.94 118.70 119.99 1pu8 s GLU 76 Ca 0.74 2.16 -0.13 0.00 0.00 0.00 0.00 54.97 57.73 1pu8 s GLU 76 Cb -0.35 -3.19 0.20 0.00 2.00 0.00 0.00 34.13 32.78 1pu8 s GLU 76 CO 0.40 -0.42 1.70 0.35 -0.56 0.00 0.00 175.26 176.73 1pu8 h PHE 77 N 6.15 0.08 -0.36 5.30 3.04 -1.97 -2.07 116.94 127.12 1pu8 h PHE 77 Ca -0.43 0.03 0.06 0.00 3.98 0.00 0.00 57.97 61.61 1pu8 h PHE 77 Cb 1.21 0.04 -0.05 0.00 2.56 0.00 0.00 35.95 39.71 1pu8 h PHE 77 CO 0.64 -0.06 0.03 0.77 -2.02 0.00 0.00 178.31 177.67 1pu8 h SER 78 N 0.18 -0.09 -0.26 0.41 0.02 -1.99 0.14 113.55 111.97 1pu8 h SER 78 Ca 0.25 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.31 1pu8 h SER 78 Cb 0.36 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 1pu8 h SER 78 CO -0.37 -0.01 0.05 0.50 -1.14 0.00 0.00 176.83 175.86 1pu8 h LYS 79 N 0.13 0.14 -0.39 3.45 3.64 -1.79 -1.13 116.57 120.62 1pu8 h LYS 79 Ca 0.17 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1pu8 h LYS 79 Cb 0.23 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1pu8 h LYS 79 CO -0.27 0.09 0.01 1.25 -2.27 0.00 0.00 179.45 178.27 1pu8 h LEU 80 N 0.15 0.67 -0.49 5.20 5.85 -0.92 -1.15 115.31 124.62 1pu8 h LEU 80 Ca 0.12 -0.30 0.09 0.00 0.84 0.00 0.00 57.88 58.63 1pu8 h LEU 80 Cb 0.12 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 40.89 1pu8 h LEU 80 CO -0.16 0.81 0.01 0.00 -0.34 0.00 0.00 178.44 178.76 1pu8 h ALA 81 N 0.89 0.47 -0.28 1.25 0.00 -0.60 -1.03 119.26 119.97 1pu8 h ALA 81 Ca 0.11 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1pu8 h ALA 81 Cb 0.46 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1pu8 h ALA 81 CO 0.02 -0.38 -0.08 1.49 0.00 0.00 0.00 179.25 180.31 1pu8 h GLU 82 N 0.13 -0.01 -0.87 0.00 4.57 -0.92 -2.74 114.58 114.74 1pu8 h GLU 82 Ca 0.25 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.50 1pu8 h GLU 82 Cb 0.36 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.90 1pu8 h GLU 82 CO -0.39 -0.01 0.56 0.00 -1.18 0.00 0.00 179.01 177.99 1pu8 n VAL 84 N -4.49 1.99 -0.29 0.00 0.24 -0.53 -4.54 118.33 110.71 1pu8 n VAL 84 Ca 0.13 -1.19 0.10 0.00 -2.04 0.00 0.00 64.34 61.33 1pu8 n VAL 84 Cb 0.22 0.02 0.23 0.00 -1.47 0.00 0.00 33.84 32.84 1pu8 n VAL 84 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1pu8 h ARG 85 N 3.99 0.13 -0.54 7.34 3.08 -1.30 -2.52 114.38 124.57 1pu8 h ARG 85 Ca 0.00 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.13 1pu8 h ARG 85 Cb 1.55 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.54 1pu8 h ARG 85 CO 0.29 0.09 0.36 -1.35 -1.07 0.00 0.00 179.97 178.29 1pu8 h PRO 86 N 0.14 0.37 -0.64 0.04 0.11 -1.86 -1.24 132.00 128.92 1pu8 h PRO 86 Ca 0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1pu8 h PRO 86 Cb 0.95 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1pu8 h PRO 86 CO -0.69 0.24 0.00 -1.13 -0.21 0.00 0.00 178.00 176.21 1pu8 n SER 87 N -4.47 4.07 -0.87 -2.05 3.41 -0.95 -4.80 113.62 107.97 1pu8 n SER 87 Ca 0.08 -2.42 0.11 0.00 -0.26 0.00 0.00 58.87 56.38 1pu8 n SER 87 Cb 0.34 -0.54 -0.05 0.00 -0.26 0.00 0.00 64.21 63.70 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 0.91 -2.58 4.00 5.00 0.00 -0.47 -4.75 105.19 107.30 1pu8 n GLY 88 Ca 0.21 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.54 -1.88 0.08 1.61 3.01 -1.26 -4.81 117.46 110.65 1pu8 n PHE 89 Ca -0.03 0.82 -0.12 0.00 1.01 0.00 0.00 57.45 59.13 1pu8 n PHE 89 Cb 0.41 -3.65 -0.04 0.00 -0.01 0.00 0.00 39.48 36.20 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 -1.81 0.49 -0.49 1.38 -0.00 -1.88 -0.19 116.97 114.48 1pu8 h TYR 90 Ca -0.60 -0.27 -0.03 0.00 0.00 0.00 0.00 58.73 57.83 1pu8 h TYR 90 Cb 1.38 -0.05 -0.02 0.00 0.00 0.00 0.00 36.73 38.03 1pu8 h TYR 90 CO 0.55 1.09 0.20 -0.91 -0.00 0.00 0.00 178.16 179.10 1pu8 h ASN 91 N 0.18 0.66 -0.25 0.10 2.35 -1.88 0.50 115.58 117.24 1pu8 h ASN 91 Ca -0.07 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.50 1pu8 h ASN 91 Cb 1.57 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.76 1pu8 h ASN 91 CO 0.15 0.64 0.05 1.56 -1.65 0.00 0.00 177.43 178.18 1pu8 h GLN 92 N 0.64 0.40 -0.39 0.81 4.20 -1.89 -2.22 115.11 116.67 1pu8 h GLN 92 Ca 0.16 -0.10 -0.15 0.00 0.06 0.00 0.00 58.65 58.62 1pu8 h GLN 92 Cb 0.18 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1pu8 h GLN 92 CO -0.02 0.52 -0.36 0.87 -0.67 0.00 0.00 178.83 179.17 1pu8 h LYS 93 N 0.22 0.93 -0.34 1.46 1.57 -1.01 -1.41 116.57 118.00 1pu8 h LYS 93 Ca 0.08 -0.48 0.01 0.00 -1.87 0.00 0.00 60.65 58.38 1pu8 h LYS 93 Cb 0.30 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1pu8 h LYS 93 CO 0.00 1.14 0.22 0.00 -0.57 0.00 0.00 179.45 180.24 1pu8 h ALA 94 N 0.77 0.43 -0.67 3.86 0.00 -0.88 0.23 119.26 123.00 1pu8 h ALA 94 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pu8 h ALA 94 Cb 0.96 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1pu8 h ALA 94 CO 0.09 -0.12 0.44 -0.22 0.00 0.00 0.00 179.25 179.44 1pu8 h LYS 95 N 0.45 0.89 -0.81 0.00 1.63 -1.30 -1.00 116.57 116.43 1pu8 h LYS 95 Ca 0.13 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.88 1pu8 h LYS 95 Cb -0.04 -0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 31.35 1pu8 h LYS 95 CO -0.03 0.60 0.53 0.00 -3.45 0.00 0.00 179.45 177.10 1pu8 h ARG 96 N 0.91 1.04 -0.25 1.90 3.08 -0.80 0.83 114.38 121.09 1pu8 h ARG 96 Ca 0.24 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.14 1pu8 h ARG 96 Cb -0.09 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.72 1pu8 h ARG 96 CO -0.05 0.69 -0.21 -0.07 -1.07 0.00 0.00 179.97 179.25 1pu8 h LEU 97 N 1.07 0.61 -0.13 3.04 3.38 -0.50 0.12 115.31 122.90 1pu8 h LEU 97 Ca 0.31 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1pu8 h LEU 97 Cb -0.08 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 1pu8 h LEU 97 CO -0.08 0.95 0.01 0.40 0.09 0.00 0.00 178.44 179.80 1pu8 h ILE 98 N 0.29 1.24 -0.57 1.22 2.04 -1.00 0.37 117.51 121.10 1pu8 h ILE 98 Ca 0.04 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.18 1pu8 h ILE 98 Cb 0.76 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.29 1pu8 h ILE 98 CO 0.05 0.22 0.32 0.44 0.00 0.00 0.00 178.15 179.18 1pu8 h ASP 99 N -0.03 0.48 0.06 1.72 3.32 -0.87 -1.74 116.42 119.36 1pu8 h ASP 99 Ca 0.04 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1pu8 h ASP 99 Cb 0.33 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1pu8 h ASP 99 CO 0.00 0.33 -0.03 0.25 -1.72 0.00 0.00 179.24 178.07 1pu8 h LEU 100 N 0.61 -0.07 -1.10 1.55 5.85 -0.73 -1.28 115.31 120.15 1pu8 h LEU 100 Ca 0.24 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1pu8 h LEU 100 Cb 0.11 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1pu8 h LEU 100 CO -0.14 0.14 0.57 0.28 -0.34 0.00 0.00 178.44 178.95 1pu8 h SER 101 N -0.28 1.03 -0.39 1.25 0.02 -0.89 0.19 113.55 114.48 1pu8 h SER 101 Ca -0.01 -0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 60.77 1pu8 h SER 101 Cb 0.24 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1pu8 h SER 101 CO 0.01 0.76 -0.28 1.23 -1.14 0.00 0.00 176.83 177.41 1pu8 h GLY 102 N 1.21 1.00 1.64 -3.77 0.00 -1.17 -1.94 103.07 100.04 1pu8 h GLY 102 Ca 0.32 -0.93 -0.14 0.00 0.00 0.00 0.00 47.33 46.57 1pu8 h GLY 102 CO -0.07 0.85 -0.54 3.43 0.00 0.00 0.00 176.54 180.21 1pu8 h ASN 103 N 0.78 0.42 -0.60 0.19 2.35 -0.70 -0.98 115.58 117.04 1pu8 h ASN 103 Ca 0.09 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1pu8 h ASN 103 Cb 0.86 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.08 1pu8 h ASN 103 CO 0.08 0.88 0.36 0.40 -1.65 0.00 0.00 177.43 177.49 1pu8 h ILE 104 N 0.29 1.18 -0.14 2.81 2.04 -0.43 0.91 117.51 124.17 1pu8 h ILE 104 Ca 0.01 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1pu8 h ILE 104 Cb 1.04 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1pu8 h ILE 104 CO 0.09 0.18 0.01 -0.07 0.00 0.00 0.00 178.15 178.36 1pu8 h LEU 105 N 0.81 0.24 -0.58 1.44 3.38 -1.11 0.33 115.31 119.82 1pu8 h LEU 105 Ca 0.22 -0.29 0.09 0.00 0.09 0.00 0.00 57.88 57.98 1pu8 h LEU 105 Cb -0.02 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 1pu8 h LEU 105 CO -0.04 0.47 0.21 0.50 0.09 0.00 0.00 178.44 179.67 1pu8 h LYS 106 N -0.00 0.38 0.00 1.13 3.64 -1.03 -0.30 116.57 120.38 1pu8 h LYS 106 Ca 0.04 -0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.15 1pu8 h LYS 106 Cb 0.34 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1pu8 h LYS 106 CO 0.01 0.25 -1.93 -0.25 -2.27 0.00 0.00 179.45 175.26 1pu8 n ASP 107 N -5.00 0.41 0.00 4.20 10.43 0.30 -4.56 116.55 122.33 1pu8 n ASP 107 Ca 0.08 0.18 0.00 0.00 2.57 0.00 0.00 54.79 57.62 1pu8 n ASP 107 Cb 0.25 0.71 0.00 0.00 1.84 0.00 0.00 41.12 43.92 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 -2.77 0.00 0.00 1.24 3.72 0.11 -5.02 117.46 114.74 1pu8 n PHE 108 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1pu8 n PHE 108 Cb 0.96 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.50 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 -0.63 0.00 -3.87 -1.08 3.00 -0.12 -4.51 117.38 110.16 1pu8 n GLN 109 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 1pu8 n GLN 109 Cb 0.01 -0.63 -0.07 0.00 0.00 0.00 0.00 30.24 29.55 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 0.11 0.13 1.08 1.04 -1.26 -4.84 113.70 109.95 1pu8 s SER 110 Ca 0.00 -0.69 -0.09 0.00 0.48 0.00 0.00 55.95 55.65 1pu8 s SER 110 Cb 0.00 0.36 -0.07 0.00 0.10 0.00 0.00 66.02 66.40 1pu8 s SER 110 CO 0.00 -0.76 1.37 0.15 0.98 0.00 0.00 173.24 174.98 1pu8 h PHE 111 N 2.71 0.93 -0.23 5.02 3.57 -1.89 -0.64 116.94 126.42 1pu8 h PHE 111 Ca -0.34 -0.39 0.06 0.00 3.53 0.00 0.00 57.97 60.83 1pu8 h PHE 111 Cb 1.20 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.73 1pu8 h PHE 111 CO 0.42 1.20 -0.18 1.49 -2.23 0.00 0.00 178.31 179.01 1pu8 h GLU 112 N 0.49 -0.17 -0.27 1.11 4.57 -1.95 -0.34 114.58 118.02 1pu8 h GLU 112 Ca -0.03 0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.05 1pu8 h GLU 112 Cb 1.33 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.94 1pu8 h GLU 112 CO 0.14 -0.11 -0.29 -0.97 -1.18 0.00 0.00 179.01 176.60 1pu8 h ASN 113 N -0.18 0.58 -0.44 1.04 -1.24 -1.81 -2.50 115.58 111.03 1pu8 h ASN 113 Ca 0.13 -0.22 0.07 0.00 0.71 0.00 0.00 56.30 56.99 1pu8 h ASN 113 Cb 0.37 -0.16 -0.06 0.00 0.73 0.00 0.00 38.32 39.21 1pu8 h ASN 113 CO -0.33 0.84 0.11 0.15 -1.29 0.00 0.00 177.43 176.91 1pu8 h PHE 114 N 0.49 0.18 -0.57 0.67 3.57 -0.71 0.94 116.94 121.50 1pu8 h PHE 114 Ca 0.06 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.65 1pu8 h PHE 114 Cb 0.76 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 1pu8 h PHE 114 CO 0.03 0.03 0.38 0.87 -2.23 0.00 0.00 178.31 177.39 1pu8 h LYS 115 N 0.25 0.52 0.16 1.11 1.57 -0.60 0.90 116.57 120.48 1pu8 h LYS 115 Ca 0.21 -0.03 -0.27 0.00 -1.87 0.00 0.00 60.65 58.70 1pu8 h LYS 115 Cb 0.25 -0.12 0.02 0.00 0.08 0.00 0.00 32.23 32.46 1pu8 h LYS 115 CO -0.26 0.34 -1.26 0.37 -0.57 0.00 0.00 179.45 178.07 1pu8 h GLN 116 N 0.53 0.35 0.00 3.15 4.15 -1.26 -3.40 115.11 118.63 1pu8 h GLN 116 Ca 0.25 -0.59 0.00 0.00 0.77 0.00 0.00 58.65 59.07 1pu8 h GLN 116 Cb 0.29 0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1pu8 h GLN 116 CO -0.07 1.28 -1.26 0.39 -1.93 0.00 0.00 178.83 177.24 1pu8 n GLU 117 N -3.91 0.22 -1.90 1.69 -0.58 0.26 -5.00 120.64 111.42 1pu8 n GLU 117 Ca -0.19 -0.05 -0.40 0.00 -0.42 0.00 0.00 57.16 56.10 1pu8 n GLU 117 Cb 0.94 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 30.32 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 -3.12 2.28 0.27 2.62 0.11 0.29 -5.03 120.40 117.81 1pu8 s VAL 118 Ca 0.04 0.25 0.12 0.00 -2.93 0.00 0.00 61.98 59.46 1pu8 s VAL 118 Cb 0.15 -3.15 -0.05 0.00 -1.53 0.00 0.00 36.38 31.80 1pu8 s VAL 118 CO 0.87 0.04 -0.20 0.42 -3.33 0.00 0.00 175.10 172.91 1pu8 s THR 119 N -1.21 2.43 0.28 5.04 -4.23 -1.26 -5.03 115.64 111.67 1pu8 s THR 119 Ca 0.58 -2.39 0.02 0.00 -1.18 0.00 0.00 61.69 58.71 1pu8 s THR 119 Cb -0.42 -2.28 0.27 0.00 1.34 0.00 0.00 72.50 71.40 1pu8 s THR 119 CO 0.55 -0.41 1.77 -0.09 -0.54 0.00 0.00 174.62 175.90 1pu8 h ARG 120 N 2.30 0.67 -0.40 3.99 2.43 -1.96 -2.24 114.38 119.18 1pu8 h ARG 120 Ca -0.40 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 58.62 1pu8 h ARG 120 Cb 1.26 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 1pu8 h ARG 120 CO 0.60 0.45 -0.21 0.93 -1.51 0.00 0.00 179.97 180.22 1pu8 h GLU 121 N 0.69 0.79 -0.18 0.20 3.07 -1.98 0.11 114.58 117.28 1pu8 h GLU 121 Ca 0.51 -0.31 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1pu8 h GLU 121 Cb 0.74 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.60 1pu8 h GLU 121 CO -0.37 0.93 0.11 2.35 -1.40 0.00 0.00 179.01 180.64 1pu8 h TRP 122 N 0.69 0.23 -0.36 4.33 7.01 -1.83 -2.04 115.95 123.98 1pu8 h TRP 122 Ca 0.10 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.11 1pu8 h TRP 122 Cb 0.73 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.69 1pu8 h TRP 122 CO 0.04 0.17 0.21 -0.07 -2.79 0.00 0.00 178.44 176.00 1pu8 h LEU 123 N 0.23 0.35 -2.39 0.65 3.38 -0.97 -2.40 115.31 114.16 1pu8 h LEU 123 Ca 0.07 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1pu8 h LEU 123 Cb -0.00 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1pu8 h LEU 123 CO -0.01 0.25 0.12 -0.07 0.09 0.00 0.00 178.44 178.82 1pu8 h LEU 124 N 0.43 0.00 -0.21 1.67 3.38 -0.61 -0.50 115.31 119.47 1pu8 h LEU 124 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1pu8 h LEU 124 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1pu8 h LEU 124 CO -0.06 0.00 -0.03 0.47 0.09 0.00 0.00 178.44 178.91 1pu8 n ASP 125 N -3.66 0.35 -4.63 -0.43 10.43 -0.79 -4.75 116.55 113.08 1pu8 n ASP 125 Ca -0.01 -0.84 -0.41 0.00 2.57 0.00 0.00 54.79 56.10 1pu8 n ASP 125 Cb 0.22 -0.06 -0.06 0.00 1.84 0.00 0.00 41.12 43.06 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 -2.21 4.14 -0.35 -1.24 -1.52 -0.20 -4.98 119.66 113.30 1pu8 s GLN 126 Ca 0.39 0.70 -0.42 0.00 -1.95 0.00 0.00 55.36 54.07 1pu8 s GLN 126 Cb 0.21 -3.65 -0.17 0.00 -0.22 0.00 0.00 33.01 29.19 1pu8 s GLN 126 CO 0.41 -0.45 1.74 1.17 -0.25 0.00 0.00 175.29 177.91 1pu8 n LYS 127 N 5.80 0.80 -0.45 2.91 3.00 -1.26 -1.57 118.16 127.39 1pu8 n LYS 127 Ca 0.02 0.29 0.00 0.00 -0.00 0.00 0.00 58.31 58.62 1pu8 n LYS 127 Cb 0.48 -1.94 0.00 0.00 0.00 0.00 0.00 35.03 33.58 1pu8 n LYS 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pu8 n GLY 128 N 4.38 1.11 3.49 3.14 0.00 -1.26 -4.79 105.19 111.26 1pu8 n GLY 128 Ca 0.29 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.08 4.87 0.44 -0.61 -1.09 -0.61 -5.06 121.20 116.06 1pu8 s ILE 129 Ca 0.00 -0.14 -0.02 0.00 -2.23 0.00 0.00 60.65 58.26 1pu8 s ILE 129 Cb 0.00 -4.22 0.09 0.00 -1.58 0.00 0.00 42.46 36.75 1pu8 s ILE 129 CO 0.00 -0.65 0.60 0.61 -1.23 0.00 0.00 174.94 174.27 1pu8 n GLY 130 N 5.09 0.26 0.36 6.18 0.00 -1.26 -4.49 105.19 111.33 1pu8 n GLY 130 Ca -0.04 -1.93 -0.01 0.00 0.00 0.00 0.00 46.02 44.05 1pu8 n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pu8 h LYS 131 N 0.00 1.10 -0.19 1.61 1.57 -1.98 -0.77 116.57 117.91 1pu8 h LYS 131 Ca -0.20 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.39 1pu8 h LYS 131 Cb 0.68 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1pu8 h LYS 131 CO 0.19 0.74 -0.37 1.49 -0.57 0.00 0.00 179.45 180.93 1pu8 h GLU 132 N 1.13 0.59 -0.17 3.15 4.81 -1.94 -2.18 114.58 119.96 1pu8 h GLU 132 Ca 0.30 -0.38 -0.20 0.00 -0.13 0.00 0.00 59.36 58.96 1pu8 h GLU 132 Cb -0.11 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1pu8 h GLU 132 CO -0.06 0.99 -0.68 0.66 -0.73 0.00 0.00 179.01 179.18 1pu8 h SER 133 N 0.26 0.79 -0.32 1.04 4.64 -1.77 -1.00 113.55 117.19 1pu8 h SER 133 Ca 0.01 -0.48 0.06 0.00 -0.47 0.00 0.00 61.79 60.90 1pu8 h SER 133 Cb 0.97 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 62.77 1pu8 h SER 133 CO 0.08 1.26 -0.02 0.00 -0.87 0.00 0.00 176.83 177.27 1pu8 h ALA 134 N 0.74 0.27 -0.32 5.18 0.00 -1.16 0.88 119.26 124.85 1pu8 h ALA 134 Ca -0.02 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1pu8 h ALA 134 Cb 1.28 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1pu8 h ALA 134 CO 0.14 -0.42 -0.27 -0.44 0.00 0.00 0.00 179.25 178.25 1pu8 h ASP 135 N 0.06 0.66 -0.14 0.00 3.45 -1.28 0.66 116.42 119.83 1pu8 h ASP 135 Ca 0.16 -0.25 -0.09 0.00 0.43 0.00 0.00 57.03 57.28 1pu8 h ASP 135 Cb 0.22 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 38.79 1pu8 h ASP 135 CO -0.28 0.91 -0.19 0.00 -1.57 0.00 0.00 179.24 178.11 1pu8 h ALA 136 N 1.14 1.10 -0.01 3.45 0.00 -0.75 0.26 119.26 124.45 1pu8 h ALA 136 Ca 0.07 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1pu8 h ALA 136 Cb 0.76 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1pu8 h ALA 136 CO 0.06 0.55 0.00 0.82 0.00 0.00 0.00 179.25 180.69 1pu8 h ILE 137 N 0.50 1.19 0.02 0.00 2.04 -0.26 0.89 117.51 121.89 1pu8 h ILE 137 Ca 0.08 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.40 1pu8 h ILE 137 Cb 0.61 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 1pu8 h ILE 137 CO 0.04 0.15 -0.26 -0.07 0.00 0.00 0.00 178.15 178.01 1pu8 h LEU 138 N -0.21 -0.77 0.21 1.44 3.38 -0.57 -0.52 115.31 118.26 1pu8 h LEU 138 Ca 0.00 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1pu8 h LEU 138 Cb 0.24 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1pu8 h LEU 138 CO 0.00 -0.33 -0.10 0.00 0.09 0.00 0.00 178.44 178.10 1pu8 h TYR 140 N -0.96 0.00 0.03 0.00 0.05 -0.90 -1.59 116.97 113.61 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 0.46 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.14 1pu8 h TYR 140 CO 0.06 0.52 -2.25 0.00 -1.05 0.00 0.00 178.16 175.44 1pu8 n ALA 141 N -2.31 1.31 0.30 3.88 0.00 -0.56 0.86 120.51 123.99 1pu8 n ALA 141 Ca -0.04 -0.98 0.07 0.00 0.00 0.00 0.00 53.44 52.49 1pu8 n ALA 141 Cb 0.78 -0.36 0.10 0.00 0.00 0.00 0.00 19.45 19.97 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 0.75 -1.15 -1.99 0.00 0.00 -0.60 -4.91 120.51 112.63 1pu8 n ALA 143 Ca 0.10 0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.43 1pu8 n ALA 143 Cb 0.38 -3.94 -0.04 0.00 0.00 0.00 0.00 19.45 15.86 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 -6.22 3.89 -1.38 0.00 -0.14 0.13 -4.84 119.74 111.19 1pu8 s LYS 144 Ca 0.50 0.76 -0.16 0.00 -1.36 0.00 0.00 55.97 55.72 1pu8 s LYS 144 Cb -0.25 -2.25 0.06 0.00 -1.68 0.00 0.00 37.83 33.71 1pu8 s LYS 144 CO 0.62 -0.15 2.00 0.39 -0.76 0.00 0.00 175.35 177.45 1pu8 n GLU 145 N -1.38 3.02 -3.75 1.68 1.02 -1.26 -4.31 120.64 115.66 1pu8 n GLU 145 Ca 0.05 -2.93 -0.19 0.00 -0.02 0.00 0.00 57.16 54.07 1pu8 n GLU 145 Cb 0.54 -3.37 -0.17 0.00 -0.02 0.00 0.00 31.44 28.42 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 3.57 0.01 -0.29 2.62 1.01 -1.26 -4.99 120.40 121.07 1pu8 s VAL 146 Ca 0.50 0.28 -0.18 0.00 0.00 0.00 0.00 61.98 62.58 1pu8 s VAL 146 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.25 1pu8 s VAL 146 CO -0.01 0.16 0.52 -0.32 0.00 0.00 0.00 175.10 175.44 1pu8 s MET 147 N 1.66 3.95 0.22 2.72 1.75 -1.26 -4.62 119.30 123.71 1pu8 s MET 147 Ca -0.01 0.19 -0.30 0.00 -1.25 0.00 0.00 55.69 54.32 1pu8 s MET 147 Cb -0.13 -3.70 -0.09 0.00 2.84 0.00 0.00 34.83 33.76 1pu8 s MET 147 CO -0.03 -0.43 1.38 0.08 -0.65 0.00 0.00 175.02 175.36 1pu8 s VAL 148 N 2.35 2.96 0.50 10.11 1.01 -1.26 -4.87 120.40 131.18 1pu8 s VAL 148 Ca 0.21 0.79 0.02 0.00 0.00 0.00 0.00 61.98 62.99 1pu8 s VAL 148 Cb -0.15 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1pu8 s VAL 148 CO 0.10 0.12 0.00 0.68 0.00 0.00 0.00 175.10 176.01 1pu8 s VAL 149 N 0.14 1.26 -0.01 2.92 -7.23 -1.26 -4.79 120.40 111.42 1pu8 s VAL 149 Ca 0.59 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.59 1pu8 s VAL 149 Cb -0.39 -2.27 0.05 0.00 0.56 0.00 0.00 36.38 34.33 1pu8 s VAL 149 CO 0.40 0.00 0.74 -0.90 -0.31 0.00 0.00 175.10 175.03 1pu8 n ASP 150 N -1.23 -0.69 -0.29 4.85 3.85 -1.26 -4.75 116.55 117.03 1pu8 n ASP 150 Ca -0.17 -1.14 0.06 0.00 -0.71 0.00 0.00 54.79 52.82 1pu8 n ASP 150 Cb 0.67 1.08 0.27 0.00 -1.35 0.00 0.00 41.12 41.78 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 0.92 -0.53 0.11 3.64 -2.00 -1.93 116.57 116.79 1pu8 h LYS 151 Ca -0.12 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.22 1pu8 h LYS 151 Cb 0.68 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1pu8 h LYS 151 CO 0.18 0.61 0.33 1.88 -2.27 0.00 0.00 179.45 180.18 1pu8 h TYR 152 N 0.95 0.62 -0.40 1.91 0.99 -1.96 -0.87 116.97 118.21 1pu8 h TYR 152 Ca 0.40 0.02 -0.10 0.00 2.00 0.00 0.00 58.73 61.05 1pu8 h TYR 152 Cb 0.31 -0.20 -0.01 0.00 1.00 0.00 0.00 36.73 37.83 1pu8 h TYR 152 CO -0.00 0.37 -0.15 0.77 -0.00 0.00 0.00 178.16 179.14 1pu8 h SER 153 N 0.66 0.82 0.08 3.88 0.02 -1.85 -0.78 113.55 116.39 1pu8 h SER 153 Ca 0.21 -0.39 0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1pu8 h SER 153 Cb -0.02 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.26 1pu8 h SER 153 CO -0.07 1.03 -0.24 0.22 -1.14 0.00 0.00 176.83 176.62 1pu8 h TYR 154 N 0.61 -0.65 -0.39 3.45 3.20 -1.06 -0.67 116.97 121.47 1pu8 h TYR 154 Ca 0.09 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 1pu8 h TYR 154 Cb 0.70 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 1pu8 h TYR 154 CO 0.05 -0.34 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.16 1pu8 h LEU 155 N -0.42 0.59 -0.25 2.82 3.38 -1.09 -1.14 115.31 119.19 1pu8 h LEU 155 Ca 0.04 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1pu8 h LEU 155 Cb 0.47 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1pu8 h LEU 155 CO -0.16 0.67 -0.05 0.15 0.09 0.00 0.00 178.44 179.13 1pu8 h PHE 156 N 0.59 0.54 -0.51 1.13 3.04 -0.88 -1.64 116.94 119.21 1pu8 h PHE 156 Ca 0.12 -0.11 -0.09 0.00 3.98 0.00 0.00 57.97 61.87 1pu8 h PHE 156 Cb 0.39 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.74 1pu8 h PHE 156 CO 0.02 0.70 -0.05 -0.07 -2.02 0.00 0.00 178.31 176.88 1pu8 h LEU 157 N 0.23 0.88 -0.96 0.59 3.38 -1.02 -3.08 115.31 115.33 1pu8 h LEU 157 Ca 0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1pu8 h LEU 157 Cb 0.52 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1pu8 h LEU 157 CO 0.02 0.97 0.43 0.50 0.09 0.00 0.00 178.44 180.45 1pu8 h LYS 158 N 0.82 1.17 0.00 1.13 3.64 -0.72 -0.44 116.57 122.17 1pu8 h LYS 158 Ca 0.14 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1pu8 h LYS 158 Cb 0.56 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1pu8 h LYS 158 CO 0.03 0.87 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.77 1pu8 h LYS 159 N 1.17 0.00 -0.52 1.90 1.63 -1.22 -2.03 116.57 117.50 1pu8 h LYS 159 Ca 0.29 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 1pu8 h LYS 159 Cb 0.06 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1pu8 h LYS 159 CO -0.04 0.09 0.00 1.28 -3.45 0.00 0.00 179.45 177.33 1pu8 n LEU 160 N -4.04 2.82 0.00 5.20 4.77 -0.28 -4.91 117.00 120.55 1pu8 n LEU 160 Ca -0.02 -1.40 0.00 0.00 -0.03 0.00 0.00 56.01 54.56 1pu8 n LEU 160 Cb 0.18 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1pu8 n LEU 160 CO 0.32 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 1pu8 n GLY 161 N 1.34 0.78 3.24 -0.72 0.00 -0.76 -5.06 105.19 104.01 1pu8 n GLY 161 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.17 2.95 -0.42 -0.61 -1.09 -0.56 -4.99 121.20 114.31 1pu8 s ILE 162 Ca 0.00 -0.70 -0.11 0.00 -2.23 0.00 0.00 60.65 57.61 1pu8 s ILE 162 Cb 0.00 -2.35 0.07 0.00 -1.58 0.00 0.00 42.46 38.60 1pu8 s ILE 162 CO 0.00 0.41 0.28 -0.70 -1.23 0.00 0.00 174.94 173.70 1pu8 s GLU 163 N 1.40 2.72 -0.45 2.79 2.12 -1.26 -2.20 118.70 123.83 1pu8 s GLU 163 Ca 0.05 -1.37 0.02 0.00 0.36 0.00 0.00 54.97 54.03 1pu8 s GLU 163 Cb -0.14 -3.84 0.13 0.00 0.26 0.00 0.00 34.13 30.54 1pu8 s GLU 163 CO -0.06 -0.92 0.22 0.42 -0.54 0.00 0.00 175.26 174.38 1pu8 s ILE 164 N 1.49 1.69 0.16 -3.70 1.01 -1.26 -4.99 121.20 115.60 1pu8 s ILE 164 Ca 0.03 -2.65 -0.09 0.00 0.00 0.00 0.00 60.65 57.94 1pu8 s ILE 164 Cb -0.23 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 1pu8 s ILE 164 CO 0.04 -0.84 1.50 -0.33 0.00 0.00 0.00 174.94 175.31 1pu8 h GLU 165 N 6.81 0.87 -6.44 2.79 3.07 -1.96 -3.42 114.58 116.30 1pu8 h GLU 165 Ca -0.04 -0.45 -0.54 0.00 -0.50 0.00 0.00 59.36 57.83 1pu8 h GLU 165 Cb 0.93 0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.86 1pu8 h GLU 165 CO 0.53 1.10 0.75 0.34 -1.40 0.00 0.00 179.01 180.33 1pu8 s ASP 166 N -6.84 6.89 0.15 1.42 2.15 -1.26 -4.94 116.67 114.25 1pu8 s ASP 166 Ca -0.10 2.14 -0.21 0.00 0.43 0.00 0.00 52.55 54.80 1pu8 s ASP 166 Cb 0.11 -2.57 0.04 0.00 -0.30 0.00 0.00 42.92 40.21 1pu8 s ASP 166 CO 0.87 -0.65 1.63 0.22 -0.17 0.00 0.00 175.17 177.08 1pu8 h TYR 167 N 7.33 -0.58 -0.48 -5.34 3.20 -2.00 -1.38 116.97 117.73 1pu8 h TYR 167 Ca -0.40 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.45 1pu8 h TYR 167 Cb 1.19 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.74 1pu8 h TYR 167 CO 0.71 -0.30 0.05 -0.44 -1.64 0.00 0.00 178.16 176.54 1pu8 h ASP 168 N -0.21 0.79 -1.00 -2.11 3.45 -1.97 -0.48 116.42 114.89 1pu8 h ASP 168 Ca 0.15 -0.28 0.03 0.00 0.43 0.00 0.00 57.03 57.36 1pu8 h ASP 168 Cb 0.44 -0.21 -0.06 0.00 -0.56 0.00 0.00 39.33 38.94 1pu8 h ASP 168 CO -0.40 0.87 0.66 -0.33 -1.57 0.00 0.00 179.24 178.46 1pu8 h GLU 169 N 0.68 1.26 -0.01 3.56 5.08 -1.89 0.14 114.58 123.39 1pu8 h GLU 169 Ca 0.14 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1pu8 h GLU 169 Cb 0.43 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1pu8 h GLU 169 CO 0.01 0.83 -0.00 1.25 -1.00 0.00 0.00 179.01 180.11 1pu8 h LEU 170 N 1.30 0.03 -0.65 1.33 6.46 -0.61 0.69 115.31 123.84 1pu8 h LEU 170 Ca 0.39 -0.33 0.08 0.00 -0.12 0.00 0.00 57.88 57.91 1pu8 h LEU 170 Cb -0.04 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 39.81 1pu8 h LEU 170 CO -0.11 0.34 0.30 -0.61 -0.62 0.00 0.00 178.44 177.75 1pu8 h GLN 171 N -0.29 0.52 -0.41 1.25 4.15 -1.04 -2.03 115.11 117.26 1pu8 h GLN 171 Ca 0.00 -0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.45 1pu8 h GLN 171 Cb 0.33 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.85 1pu8 h GLN 171 CO 0.00 0.34 0.11 1.25 -1.93 0.00 0.00 178.83 178.60 1pu8 h HIS 172 N 0.54 0.18 -0.27 3.99 2.76 -0.45 0.15 115.15 122.04 1pu8 h HIS 172 Ca 0.32 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.57 1pu8 h HIS 172 Cb 0.33 -0.02 -0.06 0.00 1.55 0.00 0.00 27.41 29.21 1pu8 h HIS 172 CO -0.12 0.04 -0.09 0.35 -1.30 0.00 0.00 177.93 176.81 1pu8 h PHE 173 N 0.25 -0.20 -0.61 5.26 3.04 -0.44 0.20 116.94 124.43 1pu8 h PHE 173 Ca 0.20 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.08 1pu8 h PHE 173 Cb 0.22 0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.84 1pu8 h PHE 173 CO -0.18 -0.15 0.02 0.74 -2.02 0.00 0.00 178.31 176.72 1pu8 h PHE 174 N -0.03 1.15 -0.17 0.41 0.04 -0.85 -3.11 116.94 114.38 1pu8 h PHE 174 Ca 0.14 -0.19 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 1pu8 h PHE 174 Cb 0.24 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 1pu8 h PHE 174 CO -0.29 1.00 -0.00 0.93 -0.60 0.00 0.00 178.31 179.35 1pu8 h GLU 175 N 0.97 0.30 -0.46 1.51 5.08 -0.31 -3.28 114.58 118.38 1pu8 h GLU 175 Ca 0.18 -0.10 0.09 0.00 -1.00 0.00 0.00 59.36 58.53 1pu8 h GLU 175 Cb 0.53 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.67 1pu8 h GLU 175 CO 0.03 0.52 -0.11 -0.22 -1.00 0.00 0.00 179.01 178.23 1pu8 h LYS 176 N 0.04 0.01 -0.40 2.33 3.64 -0.58 -0.64 116.57 120.97 1pu8 h LYS 176 Ca 0.05 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1pu8 h LYS 176 Cb 0.39 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1pu8 h LYS 176 CO 0.01 0.01 0.11 0.78 -2.27 0.00 0.00 179.45 178.08 1pu8 h GLY 177 N 0.01 0.63 0.48 5.01 0.00 -1.60 -0.33 103.07 107.27 1pu8 h GLY 177 Ca 0.22 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 1pu8 h GLY 177 CO -0.47 0.31 -0.11 -2.08 0.00 0.00 0.00 176.54 174.19 1pu8 h VAL 178 N 0.58 1.48 -0.94 4.60 2.07 -1.45 -3.02 116.25 119.58 1pu8 h VAL 178 Ca 0.14 -1.58 0.07 0.00 0.82 0.00 0.00 66.70 66.15 1pu8 h VAL 178 Cb 0.20 2.45 -0.06 0.00 -1.52 0.00 0.00 31.29 32.36 1pu8 h VAL 178 CO -0.01 0.43 0.61 1.56 0.02 0.00 0.00 177.57 180.18 1pu8 h GLN 179 N -0.46 1.02 0.00 1.57 4.20 -0.90 -0.23 115.11 120.31 1pu8 h GLN 179 Ca -0.01 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1pu8 h GLN 179 Cb 0.75 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1pu8 h GLN 179 CO 0.02 0.68 0.00 0.39 -0.67 0.00 0.00 178.83 179.25 1pu8 n GLU 180 N -4.51 0.19 -2.55 1.46 1.02 -0.15 -3.22 120.64 112.89 1pu8 n GLU 180 Ca 0.15 0.04 -0.02 0.00 -0.02 0.00 0.00 57.16 57.31 1pu8 n GLU 180 Cb 0.22 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.18 1pu8 n GLU 180 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1pu8 n ASN 181 N -1.39 1.85 0.16 1.62 3.02 -0.40 -4.99 115.26 115.13 1pu8 n ASN 181 Ca 0.09 -2.23 -0.14 0.00 -0.03 0.00 0.00 54.58 52.28 1pu8 n ASN 181 Cb 0.26 -0.44 -0.07 0.00 -0.61 0.00 0.00 39.78 38.92 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 2.33 -0.46 -0.29 3.41 5.85 -1.07 0.16 115.31 125.24 1pu8 h LEU 182 Ca -0.10 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1pu8 h LEU 182 Cb 1.37 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 1pu8 h LEU 182 CO 0.23 -0.28 0.17 0.78 -0.34 0.00 0.00 178.44 179.00 1pu8 h ASN 183 N -0.42 0.36 -0.16 1.25 2.35 -1.90 0.15 115.58 117.20 1pu8 h ASN 183 Ca -0.01 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 1pu8 h ASN 183 Cb 0.37 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 1pu8 h ASN 183 CO -0.01 0.31 -0.06 0.28 -1.65 0.00 0.00 177.43 176.31 1pu8 h SER 184 N 0.37 0.44 0.03 5.81 0.02 -1.91 0.28 113.55 118.59 1pu8 h SER 184 Ca 0.10 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1pu8 h SER 184 Cb 0.03 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1pu8 h SER 184 CO -0.02 0.55 -0.01 0.00 -1.14 0.00 0.00 176.83 176.20 1pu8 h ALA 185 N 1.51 -0.04 0.00 3.77 0.00 -0.30 -2.45 119.26 121.75 1pu8 h ALA 185 Ca 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1pu8 h ALA 185 Cb 0.38 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1pu8 h ALA 185 CO 0.02 -0.31 -0.13 -0.07 0.00 0.00 0.00 179.25 178.75 1pu8 h LEU 186 N -0.46 0.00 -1.06 0.00 3.38 -0.78 -2.03 115.31 114.36 1pu8 h LEU 186 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pu8 h LEU 186 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1pu8 h LEU 186 CO 0.01 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.67 1pu8 h ALA 187 N 1.87 1.00 0.00 1.53 0.00 -0.60 -2.82 119.26 120.24 1pu8 h ALA 187 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pu8 h ALA 187 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1pu8 h ALA 187 CO 0.02 0.00 -0.00 -0.07 0.00 0.00 0.00 179.25 179.19 1pu8 h LEU 188 N 0.00 0.00 -8.98 0.00 3.38 -0.90 -3.42 115.31 105.39 1pu8 h LEU 188 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 1pu8 h LEU 188 Cb 0.58 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.19 1pu8 h LEU 188 CO 0.00 0.00 -0.22 -0.31 0.09 0.00 0.00 178.44 178.01 1pu8 s TYR 189 N -4.68 3.27 0.05 1.13 2.02 -1.06 -5.00 117.35 113.08 1pu8 s TYR 189 Ca -0.05 0.46 -0.17 0.00 -0.37 0.00 0.00 57.07 56.95 1pu8 s TYR 189 Cb 0.15 -2.57 -0.07 0.00 -0.40 0.00 0.00 41.96 39.08 1pu8 s TYR 189 CO 0.56 -0.18 1.27 1.05 -1.57 0.00 0.00 175.55 176.68 1pu8 h GLU 190 N 7.99 -0.30 -6.10 -0.62 4.11 -1.88 -3.39 114.58 114.39 1pu8 h GLU 190 Ca -0.32 0.02 -0.56 0.00 0.07 0.00 0.00 59.36 58.57 1pu8 h GLU 190 Cb 1.16 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 1pu8 h GLU 190 CO 0.66 -0.20 0.12 0.54 0.07 0.00 0.00 179.01 180.20 1pu8 s ASN 191 N -3.63 7.05 0.30 3.06 6.03 -1.26 -5.01 114.94 121.48 1pu8 s ASN 191 Ca -0.08 1.26 -0.30 0.00 -1.03 0.00 0.00 52.86 52.72 1pu8 s ASN 191 Cb 0.03 -2.43 -0.11 0.00 -3.03 0.00 0.00 41.25 35.71 1pu8 s ASN 191 CO 0.30 -0.12 1.51 0.42 -2.03 0.00 0.00 177.10 177.19 1pu8 s THR 192 N 0.73 2.28 0.12 0.54 -4.23 -1.26 -5.00 115.64 108.81 1pu8 s THR 192 Ca 0.39 0.24 0.06 0.00 -1.18 0.00 0.00 61.69 61.20 1pu8 s THR 192 Cb -0.18 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.47 1pu8 s THR 192 CO 0.20 0.04 -0.14 0.27 -0.54 0.00 0.00 174.62 174.45 1pu8 s ILE 193 N -0.25 1.31 0.89 2.99 -4.36 -1.26 -5.15 121.20 115.37 1pu8 s ILE 193 Ca 0.60 -1.66 -0.11 0.00 -0.26 0.00 0.00 60.65 59.21 1pu8 s ILE 193 Cb -0.45 -1.48 0.12 0.00 1.25 0.00 0.00 42.46 41.90 1pu8 s ILE 193 CO 0.49 -0.39 1.09 -0.94 0.24 0.00 0.00 174.94 175.44 1pu8 s SER 194 N -2.36 3.49 0.21 4.36 1.04 -1.26 -4.86 113.70 114.33 1pu8 s SER 194 Ca 0.07 1.61 -0.10 0.00 0.48 0.00 0.00 55.95 58.02 1pu8 s SER 194 Cb -0.06 -2.28 0.16 0.00 0.10 0.00 0.00 66.02 63.94 1pu8 s SER 194 CO 0.03 -2.64 1.87 0.25 0.98 0.00 0.00 173.24 173.73 1pu8 h LEU 195 N -1.55 0.83 -0.43 2.42 5.85 -1.99 -1.27 115.31 119.16 1pu8 h LEU 195 Ca -0.48 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.25 1pu8 h LEU 195 Cb 1.27 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1pu8 h LEU 195 CO 0.53 0.59 0.22 0.00 -0.34 0.00 0.00 178.44 179.44 1pu8 h ALA 196 N 1.28 0.54 -0.51 1.25 0.00 -1.88 0.14 119.26 120.07 1pu8 h ALA 196 Ca 0.27 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1pu8 h ALA 196 Cb -0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1pu8 h ALA 196 CO -0.07 -0.13 0.04 0.37 0.00 0.00 0.00 179.25 179.46 1pu8 h GLN 197 N 0.44 0.84 -0.19 0.00 4.15 -1.86 -0.72 115.11 117.77 1pu8 h GLN 197 Ca 0.18 -0.21 0.02 0.00 0.77 0.00 0.00 58.65 59.42 1pu8 h GLN 197 Cb 0.08 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1pu8 h GLN 197 CO -0.12 0.81 0.05 1.25 -1.93 0.00 0.00 178.83 178.88 1pu8 h LEU 198 N 0.79 0.03 -1.08 -2.39 6.46 -0.38 0.63 115.31 119.37 1pu8 h LEU 198 Ca 0.16 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1pu8 h LEU 198 Cb 0.41 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.33 1pu8 h LEU 198 CO 0.01 0.05 0.51 1.88 -0.62 0.00 0.00 178.44 180.27 1pu8 h TYR 199 N 0.13 1.11 -0.42 1.25 0.99 -0.56 0.19 116.97 119.66 1pu8 h TYR 199 Ca 0.08 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.83 1pu8 h TYR 199 Cb 0.07 -0.37 -0.03 0.00 1.00 0.00 0.00 36.73 37.41 1pu8 h TYR 199 CO -0.13 0.73 0.25 0.00 -0.00 0.00 0.00 178.16 179.02 1pu8 h ALA 200 N 1.40 0.53 -0.23 3.88 0.00 -0.64 -1.14 119.26 123.06 1pu8 h ALA 200 Ca 0.30 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.00 1pu8 h ALA 200 Cb -0.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1pu8 h ALA 200 CO -0.06 -0.07 -0.64 0.00 0.00 0.00 0.00 179.25 178.49 1pu8 h ARG 201 N 0.51 0.83 -0.29 0.00 3.08 -0.40 -2.64 114.38 115.48 1pu8 h ARG 201 Ca 0.17 -0.59 -0.01 0.00 0.07 0.00 0.00 59.98 59.62 1pu8 h ARG 201 Cb -0.00 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1pu8 h ARG 201 CO -0.07 1.22 0.16 0.35 -1.07 0.00 0.00 179.97 180.56 1pu8 h PHE 202 N 0.60 0.40 -0.48 3.04 -0.00 -0.43 -1.69 116.94 118.37 1pu8 h PHE 202 Ca -0.02 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.97 57.88 1pu8 h PHE 202 Cb 1.26 -0.13 -0.02 0.00 -0.00 0.00 0.00 35.95 37.06 1pu8 h PHE 202 CO 0.08 0.32 0.02 1.25 -0.00 0.00 0.00 178.31 179.98 1pu8 h HIS 203 N 0.35 0.84 0.00 0.41 2.76 -1.25 -2.53 115.15 115.73 1pu8 h HIS 203 Ca 0.10 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1pu8 h HIS 203 Cb 0.06 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 28.78 1pu8 h HIS 203 CO -0.03 0.77 0.00 0.41 -1.30 0.00 0.00 177.93 177.77 1pu8 n GLY 204 N -0.67 0.00 0.00 5.26 0.00 -0.64 -1.09 105.19 108.06 1pu8 n GLY 204 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.86 0.00 0.15 -0.61 5.41 -0.95 -0.63 119.36 123.59 1pu8 n ILE 206 Ca 0.00 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.61 1pu8 n ILE 206 Cb 0.00 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 38.86 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 0.57 -0.75 1.39 2.07 -1.40 -0.83 116.25 117.31 1pu8 h VAL 207 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 1pu8 h VAL 207 Cb 0.00 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1pu8 h VAL 207 CO 0.00 0.00 0.26 -0.33 0.02 0.00 0.00 177.57 177.52 1pu8 h GLU 208 N -0.43 1.14 -0.26 1.57 4.39 -1.14 -0.70 114.58 119.15 1pu8 h GLU 208 Ca -0.00 -0.23 0.06 0.00 0.34 0.00 0.00 59.36 59.53 1pu8 h GLU 208 Cb 0.40 -0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 28.82 1pu8 h GLU 208 CO -0.04 0.95 -0.12 0.35 -1.16 0.00 0.00 179.01 178.99 1pu8 h PHE 209 N 1.10 -0.30 -0.45 4.33 3.57 -1.76 -1.85 116.94 121.59 1pu8 h PHE 209 Ca 0.24 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1pu8 h PHE 209 Cb 0.27 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1pu8 h PHE 209 CO 0.02 -0.19 0.23 0.77 -2.23 0.00 0.00 178.31 176.91 1pu8 h SER 210 N -0.09 0.58 -0.43 0.41 0.02 -0.52 -2.54 113.55 110.98 1pu8 h SER 210 Ca 0.14 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1pu8 h SER 210 Cb 0.29 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1pu8 h SER 210 CO -0.31 0.53 0.25 0.11 -1.14 0.00 0.00 176.83 176.27 1pu8 h LYS 211 N 0.59 0.62 -0.04 3.45 6.56 -0.95 -1.82 116.57 124.99 1pu8 h LYS 211 Ca 0.16 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.69 1pu8 h LYS 211 Cb 0.09 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.62 1pu8 h LYS 211 CO -0.02 0.46 0.00 1.04 -2.06 0.00 0.00 179.45 178.87 1pu8 n GLN 212 N -4.42 1.29 -3.79 3.15 6.02 -0.71 -4.95 117.38 113.97 1pu8 n GLN 212 Ca 0.04 -0.42 -0.23 0.00 -0.01 0.00 0.00 57.00 56.38 1pu8 n GLN 212 Cb 0.10 -1.42 0.01 0.00 1.02 0.00 0.00 30.24 29.95 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 -0.43 -4.36 -3.10 -1.09 4.76 -0.68 -4.97 118.16 108.29 1pu8 n LYS 213 Ca 0.19 0.55 -0.23 0.00 -2.87 0.00 0.00 58.31 55.94 1pu8 n LYS 213 Cb 0.19 -4.96 0.01 0.00 -1.84 0.00 0.00 35.03 28.43 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 -6.78 3.74 -0.11 -0.35 1.43 -1.14 -5.07 118.68 110.41 1pu8 s LEU 214 Ca 0.01 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1pu8 s LEU 214 Cb -0.00 -3.14 -0.01 0.00 0.03 0.00 0.00 46.19 43.06 1pu8 s LEU 214 CO 0.84 -0.60 -0.17 -1.61 0.23 0.00 0.00 176.35 175.04 1pu8 s GLU 215 N -4.47 3.15 0.00 1.70 0.41 -1.26 -4.96 118.70 113.27 1pu8 s GLU 215 Ca 0.47 -0.75 0.27 0.00 -0.41 0.00 0.00 54.97 54.55 1pu8 s GLU 215 Cb -0.10 -2.49 0.93 0.00 -1.78 0.00 0.00 34.13 30.70 1pu8 s GLU 215 CO 0.37 0.26 1.68 -0.11 -0.49 0.00 0.00 175.26 176.97