#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1py1 n GLU 8 N 0.00 0.89 -2.17 -0.52 -0.00 -1.26 -4.39 120.64 113.20 1py1 n GLU 8 Ca 0.00 -0.65 -0.37 0.00 -0.00 0.00 0.00 57.16 56.14 1py1 n GLU 8 Cb 0.00 -1.49 0.00 0.00 -0.00 0.00 0.00 31.44 29.96 1py1 n GLU 8 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1py1 s THR 9 N -2.55 2.92 0.20 3.84 -4.23 -1.26 -4.82 115.64 109.74 1py1 s THR 9 Ca 0.20 0.66 -0.16 0.00 -1.18 0.00 0.00 61.69 61.21 1py1 s THR 9 Cb 0.18 -3.32 0.19 0.00 1.34 0.00 0.00 72.50 70.90 1py1 s THR 9 CO 0.58 -0.04 1.62 -0.07 -0.54 0.00 0.00 174.62 176.17 1py1 h LEU 10 N 1.71 -0.71 -0.96 4.79 4.07 -1.95 -0.56 115.31 121.70 1py1 h LEU 10 Ca -0.50 0.19 0.13 0.00 0.08 0.00 0.00 57.88 57.79 1py1 h LEU 10 Cb 1.26 0.42 -0.09 0.00 1.08 0.00 0.00 40.66 43.33 1py1 h LEU 10 CO 0.59 -0.23 0.59 -0.33 -1.08 0.00 0.00 178.44 177.97 1py1 h GLU 11 N -0.05 0.86 -0.18 1.13 3.07 -1.96 0.32 114.58 117.76 1py1 h GLU 11 Ca 0.27 -0.05 -0.19 0.00 -0.50 0.00 0.00 59.36 58.90 1py1 h GLU 11 Cb 0.48 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1py1 h GLU 11 CO -0.63 0.57 -0.63 0.00 -1.40 0.00 0.00 179.01 176.92 1py1 h ALA 12 N 1.55 0.54 -0.05 3.43 0.00 -1.51 -1.59 119.26 121.63 1py1 h ALA 12 Ca 0.50 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1py1 h ALA 12 Cb 0.57 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1py1 h ALA 12 CO -0.30 0.70 -0.03 0.00 0.00 0.00 0.00 179.25 179.62 1py1 h ARG 13 N 0.49 0.11 -0.61 0.00 3.08 0.14 -2.76 114.38 114.83 1py1 h ARG 13 Ca -0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1py1 h ARG 13 Cb 1.22 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 1py1 h ARG 13 CO 0.12 0.50 0.32 0.97 -1.07 0.00 0.00 179.97 180.82 1py1 h ILE 14 N -0.29 1.19 0.00 2.04 6.09 -0.48 0.71 117.51 126.77 1py1 h ILE 14 Ca 0.01 -0.48 -0.02 0.00 -1.37 0.00 0.00 64.86 63.00 1py1 h ILE 14 Cb 0.47 0.38 -0.00 0.00 0.47 0.00 0.00 36.82 38.13 1py1 h ILE 14 CO 0.01 0.21 -0.10 0.78 -3.07 0.00 0.00 178.15 175.98 1py1 h ASN 15 N 0.85 0.00 0.13 2.19 2.35 -1.19 -1.03 115.58 118.88 1py1 h ASN 15 Ca 0.22 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.63 1py1 h ASN 15 Cb 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1py1 h ASN 15 CO -0.03 0.10 -1.77 0.03 -1.65 0.00 0.00 177.43 174.11 1py1 h ARG 16 N 0.00 0.28 0.00 0.81 3.08 -0.88 -3.05 114.38 114.62 1py1 h ARG 16 Ca -0.00 -0.48 -0.06 0.00 0.07 0.00 0.00 59.98 59.51 1py1 h ARG 16 Cb 0.25 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1py1 h ARG 16 CO 0.01 1.23 -0.29 0.00 -1.07 0.00 0.00 179.97 179.86 1py1 h ALA 17 N 0.02 1.52 -0.23 0.04 0.00 -0.75 -3.07 119.26 116.79 1py1 h ALA 17 Ca -0.38 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1py1 h ALA 17 Cb 1.95 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1py1 h ALA 17 CO 0.09 0.36 0.00 0.25 0.00 0.00 0.00 179.25 179.95 1py1 n THR 18 N -4.19 1.89 -1.66 0.00 -2.24 -0.40 -4.70 114.28 102.98 1py1 n THR 18 Ca -0.02 -1.70 -0.46 0.00 -2.27 0.00 0.00 64.05 59.60 1py1 n THR 18 Cb 0.33 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.47 1py1 n THR 18 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1py1 n ASN 19 N -0.42 3.57 0.22 3.42 2.85 -1.15 -4.54 115.26 119.20 1py1 n ASN 19 Ca 0.17 0.85 0.18 0.00 -0.11 0.00 0.00 54.58 55.67 1py1 n ASN 19 Cb 0.72 -1.43 0.83 0.00 1.24 0.00 0.00 39.78 41.14 1py1 n ASN 19 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1py1 h PRO 20 N 10.34 0.00 0.00 1.20 0.11 -1.88 -1.54 132.00 140.23 1py1 h PRO 20 Ca -0.47 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 1py1 h PRO 20 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 1py1 h PRO 20 CO 0.95 0.00 -0.63 1.25 -0.21 0.00 0.00 178.00 179.36 1py1 h LEU 21 N 0.00 0.00 -9.15 2.35 5.85 -1.97 -3.47 115.31 108.92 1py1 h LEU 21 Ca 0.09 0.00 -0.75 0.00 0.84 0.00 0.00 57.88 58.06 1py1 h LEU 21 Cb 0.71 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.76 1py1 h LEU 21 CO -0.00 0.50 0.79 0.59 -0.34 0.00 0.00 178.44 179.98 1py1 n ASN 22 N -3.17 2.10 0.26 1.25 3.02 -0.58 -4.83 115.26 113.30 1py1 n ASN 22 Ca 0.00 1.10 0.15 0.00 -0.03 0.00 0.00 54.58 55.80 1py1 n ASN 22 Cb 0.75 -1.12 0.54 0.00 -0.61 0.00 0.00 39.78 39.34 1py1 n ASN 22 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1py1 h LYS 23 N 6.48 0.00 -2.89 3.52 2.10 -1.90 -3.46 116.57 120.43 1py1 h LYS 23 Ca -0.47 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.13 1py1 h LYS 23 Cb 1.33 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.51 1py1 h LYS 23 CO 0.93 0.05 0.04 -1.83 -2.00 0.00 0.00 179.45 176.63 1py1 s GLU 24 N -3.56 1.06 0.32 0.07 -1.05 -1.26 -5.14 118.70 109.14 1py1 s GLU 24 Ca 0.02 -0.33 -0.25 0.00 -0.15 0.00 0.00 54.97 54.26 1py1 s GLU 24 Cb 0.08 0.48 -0.15 0.00 -0.44 0.00 0.00 34.13 34.11 1py1 s GLU 24 CO 0.59 -0.40 0.58 1.28 0.95 0.00 0.00 175.26 178.26 1py1 n LEU 25 N 0.25 -0.37 -4.02 1.83 4.77 -1.26 -4.91 117.00 113.28 1py1 n LEU 25 Ca -0.18 1.02 -0.33 0.00 -0.03 0.00 0.00 56.01 56.49 1py1 n LEU 25 Cb 0.61 -1.07 -0.09 0.00 -2.33 0.00 0.00 43.42 40.54 1py1 n LEU 25 CO 0.18 -2.77 0.16 -0.62 -1.33 0.00 0.00 177.39 173.02 1py1 s ASP 26 N -0.89 5.43 0.34 -1.43 3.68 -1.26 -4.96 116.67 117.59 1py1 s ASP 26 Ca 0.62 -3.67 0.05 0.00 2.13 0.00 0.00 52.55 51.67 1py1 s ASP 26 Cb -0.73 -1.79 0.68 0.00 -1.45 0.00 0.00 42.92 39.63 1py1 s ASP 26 CO 0.58 -0.16 1.92 -0.50 0.13 0.00 0.00 175.17 177.14 1py1 h TRP 27 N 5.89 0.88 0.05 -5.34 -0.00 -1.96 -0.91 115.95 114.55 1py1 h TRP 27 Ca 0.13 0.02 0.03 0.00 -0.00 0.00 0.00 58.89 59.07 1py1 h TRP 27 Cb 0.81 -0.29 -0.04 0.00 -0.00 0.00 0.00 29.16 29.64 1py1 h TRP 27 CO 0.70 0.43 -0.26 0.00 -0.00 0.00 0.00 178.44 179.31 1py1 h ALA 28 N 1.57 -0.39 -0.35 1.49 0.00 -1.99 0.58 119.26 120.17 1py1 h ALA 28 Ca 0.37 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 1py1 h ALA 28 Cb 0.34 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1py1 h ALA 28 CO -0.14 -0.77 -0.17 0.77 0.00 0.00 0.00 179.25 178.93 1py1 h SER 29 N -0.43 0.64 -0.23 0.00 0.02 -1.85 0.42 113.55 112.13 1py1 h SER 29 Ca 0.05 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 60.74 1py1 h SER 29 Cb 0.49 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1py1 h SER 29 CO -0.20 0.83 -0.09 0.40 -1.14 0.00 0.00 176.83 176.64 1py1 h ILE 30 N 0.58 1.30 -0.21 3.27 2.04 -0.73 -1.37 117.51 122.38 1py1 h ILE 30 Ca 0.09 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.80 1py1 h ILE 30 Cb 0.62 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 1py1 h ILE 30 CO 0.04 0.35 0.00 0.78 0.00 0.00 0.00 178.15 179.32 1py1 h ASN 31 N 0.18 0.36 -0.98 1.72 2.35 0.27 -2.31 115.58 117.17 1py1 h ASN 31 Ca 0.05 -0.30 0.19 0.00 -0.55 0.00 0.00 56.30 55.69 1py1 h ASN 31 Cb 0.57 -0.10 -0.09 0.00 0.05 0.00 0.00 38.32 38.75 1py1 h ASN 31 CO 0.03 0.58 0.61 1.23 -1.65 0.00 0.00 177.43 178.23 1py1 h GLY 32 N 0.13 1.48 0.89 2.83 0.00 -0.90 -0.43 103.07 107.07 1py1 h GLY 32 Ca 0.06 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 1py1 h GLY 32 CO 0.01 -0.03 0.02 -2.75 0.00 0.00 0.00 176.54 173.79 1py1 h PHE 33 N 0.67 0.57 -0.55 5.60 3.04 -0.89 -0.56 116.94 124.82 1py1 h PHE 33 Ca 0.54 -0.09 -0.02 0.00 3.98 0.00 0.00 57.97 62.38 1py1 h PHE 33 Cb 0.97 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 39.30 1py1 h PHE 33 CO -0.00 0.65 0.26 0.00 -2.02 0.00 0.00 178.31 177.19 1py1 h GLU 35 N 0.74 0.98 -0.15 0.00 5.08 -1.09 -2.98 114.58 117.15 1py1 h GLU 35 Ca 0.19 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1py1 h GLU 35 Cb 0.12 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1py1 h GLU 35 CO -0.02 0.94 0.03 0.37 -1.00 0.00 0.00 179.01 179.32 1py1 h GLN 36 N 0.88 0.21 0.03 2.33 5.75 -0.95 -2.64 115.11 120.72 1py1 h GLN 36 Ca 0.18 -0.02 -0.22 0.00 -0.15 0.00 0.00 58.65 58.43 1py1 h GLN 36 Cb 0.45 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 1py1 h GLN 36 CO 0.02 0.21 -1.01 1.37 -2.65 0.00 0.00 178.83 176.77 1py1 h LEU 37 N 0.22 0.12 -0.45 -2.39 8.10 -1.35 -3.27 115.31 116.29 1py1 h LEU 37 Ca 0.05 -0.12 0.00 0.00 0.11 0.00 0.00 57.88 57.92 1py1 h LEU 37 Cb 0.11 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.29 1py1 h LEU 37 CO -0.00 1.05 0.00 0.59 -4.11 0.00 0.00 178.44 175.97 1py1 n ASN 38 N -3.45 0.15 -2.66 0.17 3.02 -0.99 -3.14 115.26 108.35 1py1 n ASN 38 Ca -0.02 -0.67 -0.09 0.00 -0.03 0.00 0.00 54.58 53.77 1py1 n ASN 38 Cb 0.92 -0.07 0.03 0.00 -0.61 0.00 0.00 39.78 40.05 1py1 n ASN 38 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1py1 n GLU 39 N -0.13 1.16 -3.56 3.52 0.28 -1.23 -5.06 120.64 115.61 1py1 n GLU 39 Ca 0.00 -3.26 0.00 0.00 -0.16 0.00 0.00 57.16 53.74 1py1 n GLU 39 Cb 0.04 -1.25 -0.06 0.00 1.43 0.00 0.00 31.44 31.60 1py1 n GLU 39 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1py1 s ASP 40 N -3.13 -0.34 0.58 -1.84 2.15 -1.19 -4.95 116.67 107.95 1py1 s ASP 40 Ca 0.27 0.53 0.30 0.00 0.43 0.00 0.00 52.55 54.08 1py1 s ASP 40 Cb 0.46 1.22 1.77 0.00 -0.30 0.00 0.00 42.92 46.06 1py1 s ASP 40 CO 0.04 -0.08 2.22 2.19 -0.17 0.00 0.00 175.17 179.37 1py1 h PHE 41 N 6.13 0.00 -0.01 -5.34 -5.15 -1.97 -0.55 116.94 110.05 1py1 h PHE 41 Ca -0.24 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.53 1py1 h PHE 41 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.33 1py1 h PHE 41 CO 0.16 0.03 -0.74 -0.85 -2.00 0.00 0.00 178.31 174.91 1py1 n GLU 42 N -3.76 0.82 0.32 6.09 0.28 -1.26 -4.58 120.64 118.56 1py1 n GLU 42 Ca -0.03 -0.39 -0.18 0.00 -0.16 0.00 0.00 57.16 56.41 1py1 n GLU 42 Cb 0.12 -1.43 -0.09 0.00 1.43 0.00 0.00 31.44 31.47 1py1 n GLU 42 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1py1 h GLY 43 N 4.60 -1.13 0.42 -1.84 0.00 -1.33 -2.54 103.07 101.25 1py1 h GLY 43 Ca 0.00 0.50 0.05 0.00 0.00 0.00 0.00 47.33 47.88 1py1 h GLY 43 CO 0.00 -0.37 -0.15 -2.55 0.00 0.00 0.00 176.54 173.47 1py1 h PRO 44 N -0.98 -0.15 -0.81 4.80 0.11 -1.72 -0.57 132.00 132.67 1py1 h PRO 44 Ca -0.07 0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.11 1py1 h PRO 44 Cb 0.83 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 31.92 1py1 h PRO 44 CO 0.01 -0.10 0.49 -1.35 -0.21 0.00 0.00 178.00 176.84 1py1 h PRO 45 N -0.16 0.88 -0.23 1.05 0.11 -1.83 -0.87 132.00 130.95 1py1 h PRO 45 Ca 0.11 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 1py1 h PRO 45 Cb 0.32 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 1py1 h PRO 45 CO -0.27 0.58 -0.16 1.25 -0.21 0.00 0.00 178.00 179.20 1py1 h LEU 46 N 0.91 0.38 0.09 2.35 5.85 -1.10 -2.10 115.31 121.69 1py1 h LEU 46 Ca 0.35 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 1py1 h LEU 46 Cb 0.15 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1py1 h LEU 46 CO -0.17 0.57 -0.05 0.00 -0.34 0.00 0.00 178.44 178.46 1py1 h ALA 47 N 1.47 -0.13 -0.79 1.25 0.00 0.16 -1.44 119.26 119.79 1py1 h ALA 47 Ca 0.07 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1py1 h ALA 47 Cb 0.49 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1py1 h ALA 47 CO 0.03 -0.39 0.52 1.79 0.00 0.00 0.00 179.25 181.21 1py1 h THR 48 N -0.50 1.18 -0.07 0.00 1.35 -1.16 0.46 112.91 114.18 1py1 h THR 48 Ca -0.01 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 65.48 1py1 h THR 48 Cb 0.41 0.04 -0.00 0.00 -1.73 0.00 0.00 68.15 66.88 1py1 h THR 48 CO 0.02 0.19 0.02 -0.09 -0.25 0.00 0.00 175.52 175.41 1py1 h ARG 49 N 1.05 0.12 -0.35 4.72 2.43 -1.36 -0.34 114.38 120.64 1py1 h ARG 49 Ca 0.30 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.38 1py1 h ARG 49 Cb -0.08 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1py1 h ARG 49 CO -0.07 0.32 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.60 1py1 h LEU 50 N -0.11 0.54 -0.09 3.80 3.38 -0.69 -2.89 115.31 119.26 1py1 h LEU 50 Ca 0.02 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1py1 h LEU 50 Cb 0.26 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1py1 h LEU 50 CO 0.00 0.64 -0.11 -0.07 0.09 0.00 0.00 178.44 178.99 1py1 h LEU 51 N 0.53 0.26 -0.83 1.67 3.38 0.05 -2.80 115.31 117.57 1py1 h LEU 51 Ca 0.11 -0.50 0.15 0.00 0.09 0.00 0.00 57.88 57.73 1py1 h LEU 51 Cb 0.41 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 40.99 1py1 h LEU 51 CO 0.02 0.71 0.39 0.00 0.09 0.00 0.00 178.44 179.65 1py1 h ALA 52 N 0.56 1.24 0.92 1.53 0.00 -0.99 0.22 119.26 122.74 1py1 h ALA 52 Ca 0.01 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1py1 h ALA 52 Cb 0.64 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1py1 h ALA 52 CO 0.03 -0.16 -0.44 1.25 0.00 0.00 0.00 179.25 179.93 1py1 h HIS 53 N 0.54 -1.14 -0.96 0.00 -0.00 -1.50 -2.50 115.15 109.60 1py1 h HIS 53 Ca 0.46 -0.03 0.16 0.00 -0.00 0.00 0.00 60.37 60.96 1py1 h HIS 53 Cb 0.70 0.38 -0.10 0.00 -0.00 0.00 0.00 27.41 28.39 1py1 h HIS 53 CO -0.12 -0.71 0.57 0.87 -0.00 0.00 0.00 177.93 178.54 1py1 h LYS 54 N -1.30 0.77 0.00 5.26 1.79 -1.14 -0.12 116.57 121.84 1py1 h LYS 54 Ca -0.13 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.27 1py1 h LYS 54 Cb 0.94 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.42 1py1 h LYS 54 CO 0.21 0.51 -0.11 0.82 -1.08 0.00 0.00 179.45 179.79 1py1 h ILE 55 N 0.79 0.60 -0.02 1.86 2.04 -0.53 -2.01 117.51 120.25 1py1 h ILE 55 Ca 0.52 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1py1 h ILE 55 Cb 0.70 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 1py1 h ILE 55 CO -0.34 0.11 -0.03 0.00 0.00 0.00 0.00 178.15 177.89 1py1 n GLN 56 N -3.70 1.74 -1.82 2.37 6.02 -0.07 -4.74 117.38 117.18 1py1 n GLN 56 Ca -0.02 -1.16 -0.41 0.00 -0.01 0.00 0.00 57.00 55.40 1py1 n GLN 56 Cb 0.23 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 30.00 1py1 n GLN 56 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1py1 s SER 57 N -2.05 6.38 0.53 1.08 0.15 -0.75 -4.88 113.70 114.14 1py1 s SER 57 Ca 0.34 3.01 0.23 0.00 0.70 0.00 0.00 55.95 60.23 1py1 s SER 57 Cb 0.21 -2.66 1.45 0.00 -1.71 0.00 0.00 66.02 63.31 1py1 s SER 57 CO 0.35 -0.86 2.14 -0.65 1.20 0.00 0.00 173.24 175.42 1py1 h PRO 58 N 3.38 0.00 -6.38 5.44 0.11 -1.93 -3.39 132.00 129.22 1py1 h PRO 58 Ca -0.50 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.07 1py1 h PRO 58 Cb 1.23 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.28 1py1 h PRO 58 CO 0.67 0.06 1.09 -0.65 -0.21 0.00 0.00 178.00 178.96 1py1 s GLN 59 N -4.65 3.24 0.24 1.05 -0.21 -1.26 -4.91 119.66 113.16 1py1 s GLN 59 Ca -0.04 0.19 -0.09 0.00 0.02 0.00 0.00 55.36 55.43 1py1 s GLN 59 Cb 0.15 -4.15 0.37 0.00 1.00 0.00 0.00 33.01 30.39 1py1 s GLN 59 CO 0.61 -2.04 1.61 1.49 -2.12 0.00 0.00 175.29 174.85 1py1 h GLU 60 N 10.78 0.04 0.00 2.91 4.81 -1.99 0.52 114.58 131.65 1py1 h GLU 60 Ca -0.27 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 1py1 h GLU 60 Cb 1.08 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 1py1 h GLU 60 CO 1.22 0.02 -0.03 2.35 -0.73 0.00 0.00 179.01 181.84 1py1 h TRP 61 N 0.04 0.00 0.06 0.92 -0.00 -1.94 0.22 115.95 115.24 1py1 h TRP 61 Ca 0.39 0.00 -0.12 0.00 -0.00 0.00 0.00 58.89 59.16 1py1 h TRP 61 Cb 0.64 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.81 1py1 h TRP 61 CO -0.53 0.03 -0.49 1.49 -0.00 0.00 0.00 178.44 178.94 1py1 h GLU 62 N 0.00 0.23 -0.46 2.65 4.81 -1.14 -2.94 114.58 117.72 1py1 h GLU 62 Ca -0.00 -0.32 -0.12 0.00 -0.13 0.00 0.00 59.36 58.79 1py1 h GLU 62 Cb 0.18 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1py1 h GLU 62 CO 0.00 1.10 -0.19 0.00 -0.73 0.00 0.00 179.01 179.19 1py1 h ALA 63 N 0.15 0.79 -0.72 2.92 0.00 -0.83 -1.33 119.26 120.24 1py1 h ALA 63 Ca -0.08 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1py1 h ALA 63 Cb 1.31 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1py1 h ALA 63 CO 0.09 0.66 0.28 0.82 0.00 0.00 0.00 179.25 181.10 1py1 h ILE 64 N 0.80 1.25 -0.24 0.00 1.08 -0.73 0.14 117.51 119.81 1py1 h ILE 64 Ca 0.11 -0.80 -0.17 0.00 -0.39 0.00 0.00 64.86 63.62 1py1 h ILE 64 Cb 0.74 0.43 -0.00 0.00 -3.07 0.00 0.00 36.82 34.91 1py1 h ILE 64 CO 0.06 0.32 -0.52 1.56 -0.69 0.00 0.00 178.15 178.88 1py1 h GLN 65 N 1.03 0.69 -0.54 2.37 4.20 -1.40 -0.36 115.11 121.11 1py1 h GLN 65 Ca 0.24 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 1py1 h GLN 65 Cb 0.23 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1py1 h GLN 65 CO -0.02 1.04 0.29 0.00 -0.67 0.00 0.00 178.83 179.47 1py1 h ALA 66 N 0.88 0.69 -0.55 3.87 0.00 -0.79 -0.92 119.26 122.44 1py1 h ALA 66 Ca 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1py1 h ALA 66 Cb 1.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1py1 h ALA 66 CO 0.11 0.22 0.27 -0.07 0.00 0.00 0.00 179.25 179.77 1py1 h LEU 67 N 0.72 0.68 -1.35 0.00 3.38 -0.60 -0.12 115.31 118.02 1py1 h LEU 67 Ca 0.19 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1py1 h LEU 67 Cb 0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1py1 h LEU 67 CO -0.03 0.58 -0.08 0.74 0.09 0.00 0.00 178.44 179.74 1py1 h THR 68 N 0.77 1.18 -0.20 0.22 2.02 -0.22 -0.20 112.91 116.48 1py1 h THR 68 Ca 0.19 -0.77 -0.12 0.00 0.77 0.00 0.00 66.41 66.48 1py1 h THR 68 Cb 0.07 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1py1 h THR 68 CO -0.03 0.25 -0.35 0.58 0.37 0.00 0.00 175.52 176.34 1py1 h VAL 69 N 0.33 1.33 -0.30 3.16 2.07 0.15 -1.98 116.25 121.00 1py1 h VAL 69 Ca 0.07 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1py1 h VAL 69 Cb 0.35 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1py1 h VAL 69 CO 0.02 0.49 0.20 0.25 0.02 0.00 0.00 177.57 178.54 1py1 h LEU 70 N 0.25 0.35 -0.60 2.57 5.85 -0.68 0.12 115.31 123.17 1py1 h LEU 70 Ca 0.01 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1py1 h LEU 70 Cb 0.94 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1py1 h LEU 70 CO 0.08 0.26 0.40 -0.08 -0.34 0.00 0.00 178.44 178.75 1py1 h GLU 71 N 0.41 0.78 0.03 1.25 4.81 -1.06 -1.94 114.58 118.86 1py1 h GLU 71 Ca 0.11 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1py1 h GLU 71 Cb -0.04 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.16 1py1 h GLU 71 CO -0.02 0.52 -0.01 1.15 -0.73 0.00 0.00 179.01 179.91 1py1 h THR 72 N 0.80 1.23 0.00 0.32 2.02 -0.90 -3.06 112.91 113.32 1py1 h THR 72 Ca 0.23 -0.83 -0.03 0.00 0.77 0.00 0.00 66.41 66.54 1py1 h THR 72 Cb -0.07 1.79 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1py1 h THR 72 CO -0.06 0.21 -0.16 0.00 0.37 0.00 0.00 175.52 175.89 1py1 h MET 74 N 0.00 0.65 -0.44 0.00 2.07 -1.27 -2.94 114.93 113.00 1py1 h MET 74 Ca -0.00 -0.16 -0.11 0.00 -2.07 0.00 0.00 59.70 57.36 1py1 h MET 74 Cb 0.33 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 29.96 1py1 h MET 74 CO 0.02 0.67 -0.16 0.87 1.07 0.00 0.00 176.91 179.38 1py1 h LYS 75 N 0.62 0.84 -2.27 1.72 1.57 -1.26 -3.36 116.57 114.43 1py1 h LYS 75 Ca 0.13 -0.31 -0.61 0.00 -1.87 0.00 0.00 60.65 57.99 1py1 h LYS 75 Cb 0.39 -0.05 -0.41 0.00 0.08 0.00 0.00 32.23 32.23 1py1 h LYS 75 CO 0.01 0.94 -0.51 -1.13 -0.57 0.00 0.00 179.45 178.19 1py1 n SER 76 N -4.14 4.39 -3.48 0.86 3.41 -1.11 -5.03 113.62 108.52 1py1 n SER 76 Ca 0.01 -3.59 -0.13 0.00 -0.26 0.00 0.00 58.87 54.90 1py1 n SER 76 Cb 0.40 -0.65 -0.04 0.00 -0.26 0.00 0.00 64.21 63.67 1py1 n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1py1 n GLY 78 N 0.14 0.23 0.26 0.00 0.00 -1.26 -4.79 105.19 99.78 1py1 n GLY 78 Ca -0.16 -1.77 0.02 0.00 0.00 0.00 0.00 46.02 44.11 1py1 n GLY 78 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1py1 h LYS 79 N 0.00 0.40 -0.68 1.61 3.64 -2.01 -1.61 116.57 117.92 1py1 h LYS 79 Ca 0.00 -0.08 0.11 0.00 -1.27 0.00 0.00 60.65 59.41 1py1 h LYS 79 Cb 0.00 -0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 31.63 1py1 h LYS 79 CO 0.00 0.44 -0.37 0.00 -2.27 0.00 0.00 179.45 177.26 1py1 h ARG 80 N 0.39 -0.13 0.12 1.90 3.08 -1.99 0.73 114.38 118.48 1py1 h ARG 80 Ca 0.09 0.01 -0.32 0.00 0.07 0.00 0.00 59.98 59.82 1py1 h ARG 80 Cb 0.28 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1py1 h ARG 80 CO 0.01 -0.09 -1.65 0.35 -1.07 0.00 0.00 179.97 177.51 1py1 h PHE 81 N -0.14 0.48 0.00 3.04 3.04 -1.91 -3.23 116.94 118.22 1py1 h PHE 81 Ca 0.25 -0.35 -0.00 0.00 3.98 0.00 0.00 57.97 61.84 1py1 h PHE 81 Cb 0.56 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.05 1py1 h PHE 81 CO -0.70 1.47 -0.01 0.45 -2.02 0.00 0.00 178.31 177.49 1py1 h HIS 82 N 0.07 0.00 0.08 0.41 3.86 -0.81 -2.17 115.15 116.59 1py1 h HIS 82 Ca -0.29 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.67 1py1 h HIS 82 Cb 2.04 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.50 1py1 h HIS 82 CO 0.07 0.01 -1.13 -0.44 0.86 0.00 0.00 177.93 177.30 1py1 h ASP 83 N 0.00 0.34 -0.51 2.45 3.32 0.38 -2.61 116.42 119.78 1py1 h ASP 83 Ca -0.00 -0.35 -0.07 0.00 0.02 0.00 0.00 57.03 56.63 1py1 h ASP 83 Cb 0.02 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1py1 h ASP 83 CO 0.00 1.24 0.05 -0.33 -1.72 0.00 0.00 179.24 178.49 1py1 h GLU 84 N 0.08 0.92 0.00 3.56 4.39 -1.42 -1.27 114.58 120.84 1py1 h GLU 84 Ca -0.10 -0.24 -0.15 0.00 0.34 0.00 0.00 59.36 59.21 1py1 h GLU 84 Cb 1.85 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 30.36 1py1 h GLU 84 CO 0.18 0.88 -0.73 0.28 -1.16 0.00 0.00 179.01 178.46 1py1 h VAL 85 N 0.86 1.43 0.00 3.13 2.07 -1.54 -3.12 116.25 119.09 1py1 h VAL 85 Ca 0.17 -2.58 -0.11 0.00 0.82 0.00 0.00 66.70 65.00 1py1 h VAL 85 Cb 0.44 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 1py1 h VAL 85 CO 0.02 0.72 -0.52 1.23 0.02 0.00 0.00 177.57 179.04 1py1 h GLY 86 N 2.49 0.00 -3.72 2.17 0.00 -1.04 -3.36 103.07 99.61 1py1 h GLY 86 Ca -0.01 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.80 1py1 h GLY 86 CO 0.09 0.00 0.60 0.54 0.00 0.00 0.00 176.54 177.77 1py1 s LYS 87 N -3.74 4.30 0.65 4.80 1.02 -0.52 -4.28 119.74 121.97 1py1 s LYS 87 Ca -0.01 2.12 0.40 0.00 0.02 0.00 0.00 55.97 58.50 1py1 s LYS 87 Cb 0.13 -2.99 2.26 0.00 -0.52 0.00 0.00 37.83 36.70 1py1 s LYS 87 CO 0.74 -0.20 2.33 0.74 -0.92 0.00 0.00 175.35 178.04 1py1 h PHE 88 N 3.24 0.00 -0.60 3.18 0.04 -1.88 -0.83 116.94 120.08 1py1 h PHE 88 Ca -0.49 0.00 0.17 0.00 2.80 0.00 0.00 57.97 60.46 1py1 h PHE 88 Cb 1.23 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.35 1py1 h PHE 88 CO 0.56 0.00 0.46 -0.09 -0.60 0.00 0.00 178.31 178.64 1py1 h ARG 89 N 0.00 0.00 0.00 1.51 9.65 -1.90 -0.21 114.38 123.42 1py1 h ARG 89 Ca 0.00 0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 58.62 1py1 h ARG 89 Cb 0.02 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.56 1py1 h ARG 89 CO -0.00 0.00 -1.78 0.34 2.80 0.00 0.00 179.97 181.33 1py1 n PHE 90 N -4.22 0.00 -0.34 2.20 7.35 -0.37 -4.58 117.46 117.50 1py1 n PHE 90 Ca 0.12 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 57.00 1py1 n PHE 90 Cb 0.70 -0.65 0.42 0.00 0.35 0.00 0.00 39.48 40.31 1py1 n PHE 90 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1py1 h LEU 91 N -0.74 0.62 -0.56 -2.13 3.38 -1.35 -0.91 115.31 113.61 1py1 h LEU 91 Ca -0.39 0.13 0.08 0.00 0.09 0.00 0.00 57.88 57.79 1py1 h LEU 91 Cb 1.27 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 42.00 1py1 h LEU 91 CO -0.23 0.08 0.22 0.78 0.09 0.00 0.00 178.44 179.37 1py1 h ASN 92 N 0.52 0.24 -0.86 -0.43 2.35 -1.29 -0.15 115.58 115.97 1py1 h ASN 92 Ca 0.65 0.06 0.13 0.00 -0.55 0.00 0.00 56.30 56.59 1py1 h ASN 92 Cb 1.34 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 39.68 1py1 h ASN 92 CO -0.45 0.16 0.55 -0.33 -1.65 0.00 0.00 177.43 175.71 1py1 h GLU 93 N 0.42 0.69 -0.21 0.81 4.39 -1.40 0.27 114.58 119.54 1py1 h GLU 93 Ca 0.27 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.84 1py1 h GLU 93 Cb 0.29 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1py1 h GLU 93 CO -0.26 0.45 -0.23 -0.07 -1.16 0.00 0.00 179.01 177.75 1py1 h LEU 94 N 0.71 0.57 -1.13 1.33 3.38 -1.15 -2.88 115.31 116.14 1py1 h LEU 94 Ca 0.42 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.95 1py1 h LEU 94 Cb 0.62 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 1py1 h LEU 94 CO -0.18 0.93 0.59 0.40 0.09 0.00 0.00 178.44 180.28 1py1 h ILE 95 N 0.21 1.12 -0.97 1.22 2.04 0.41 -1.28 117.51 120.26 1py1 h ILE 95 Ca 0.03 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.54 1py1 h ILE 95 Cb 0.78 -0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 1py1 h ILE 95 CO 0.06 0.20 0.64 0.11 0.00 0.00 0.00 178.15 179.16 1py1 h LYS 96 N 1.10 1.24 -0.11 2.37 1.57 -0.48 0.61 116.57 122.87 1py1 h LYS 96 Ca 0.37 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.94 1py1 h LYS 96 Cb 0.08 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1py1 h LYS 96 CO -0.12 0.82 -0.54 0.28 -0.57 0.00 0.00 179.45 179.31 1py1 h VAL 97 N 1.27 1.35 0.00 0.50 2.07 -1.03 -0.26 116.25 120.16 1py1 h VAL 97 Ca 0.37 -1.82 -0.15 0.00 0.82 0.00 0.00 66.70 65.91 1py1 h VAL 97 Cb -0.08 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1py1 h VAL 97 CO -0.10 0.55 -1.93 1.33 0.02 0.00 0.00 177.57 177.44 1py1 n VAL 98 N -3.93 0.73 -2.76 2.57 0.24 -0.95 -3.52 118.33 110.71 1py1 n VAL 98 Ca -0.02 -0.66 -0.42 0.00 -2.04 0.00 0.00 64.34 61.20 1py1 n VAL 98 Cb 0.58 -0.32 -0.03 0.00 -1.47 0.00 0.00 33.84 32.59 1py1 n VAL 98 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1py1 s SER 99 N -5.15 7.12 0.59 -1.34 0.15 0.19 -4.53 113.70 110.73 1py1 s SER 99 Ca -0.07 1.38 0.29 0.00 0.70 0.00 0.00 55.95 58.25 1py1 s SER 99 Cb 0.10 -2.52 1.73 0.00 -1.71 0.00 0.00 66.02 63.63 1py1 s SER 99 CO 0.86 -0.46 2.19 -0.65 1.20 0.00 0.00 173.24 176.38 1py1 h PRO 100 N 7.22 0.00 0.00 5.44 0.11 -1.88 0.33 132.00 143.23 1py1 h PRO 100 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1py1 h PRO 100 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1py1 h PRO 100 CO 0.86 0.00 0.00 1.17 -0.21 0.00 0.00 178.00 179.82 1py1 n LYS 101 N -3.86 0.08 0.00 1.05 4.81 -1.26 -4.21 118.16 114.76 1py1 n LYS 101 Ca -0.01 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1py1 n LYS 101 Cb 0.18 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.54 1py1 n LYS 101 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1py1 n TYR 102 N -1.85 0.00 0.66 5.64 4.01 -0.59 -4.98 117.16 120.05 1py1 n TYR 102 Ca 0.01 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.83 1py1 n TYR 102 Cb 0.09 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.18 1py1 n TYR 102 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1py1 n LEU 103 N 0.00 2.25 -0.33 7.72 4.77 -0.11 -4.67 117.00 126.62 1py1 n LEU 103 Ca 0.00 -0.98 0.15 0.00 -0.03 0.00 0.00 56.01 55.15 1py1 n LEU 103 Cb 0.00 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 41.46 1py1 n LEU 103 CO 0.00 0.40 1.20 1.23 -1.33 0.00 0.00 177.39 178.90 1py1 h GLY 104 N 3.12 1.58 1.44 -0.72 0.00 -0.35 -2.35 103.07 105.80 1py1 h GLY 104 Ca 0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 1py1 h GLY 104 CO 0.00 -0.06 -0.16 1.76 0.00 0.00 0.00 176.54 178.08 1py1 h SER 105 N 0.67 0.65 -0.14 0.19 0.02 -1.78 -3.06 113.55 110.09 1py1 h SER 105 Ca 0.56 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1py1 h SER 105 Cb 1.01 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1py1 h SER 105 CO -0.34 0.82 0.00 0.54 -1.14 0.00 0.00 176.83 176.71 1py1 n ARG 106 N -4.15 2.06 -3.54 3.45 1.74 -0.91 -4.93 116.66 110.37 1py1 n ARG 106 Ca 0.01 -1.57 -0.37 0.00 -0.77 0.00 0.00 57.85 55.15 1py1 n ARG 106 Cb 0.37 -1.46 -0.06 0.00 -1.02 0.00 0.00 32.46 30.29 1py1 n ARG 106 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1py1 s THR 107 N -1.84 5.20 0.28 0.55 2.01 -1.04 -5.05 115.64 115.75 1py1 s THR 107 Ca 0.34 0.68 -0.30 0.00 0.31 0.00 0.00 61.69 62.71 1py1 s THR 107 Cb 0.20 -3.66 -0.12 0.00 0.01 0.00 0.00 72.50 68.94 1py1 s THR 107 CO 0.30 0.49 1.62 -1.54 -0.69 0.00 0.00 174.62 174.80 1py1 n SER 108 N 2.64 3.88 -0.15 3.53 3.41 -1.26 -4.85 113.62 120.81 1py1 n SER 108 Ca -0.13 1.13 0.24 0.00 -0.26 0.00 0.00 58.87 59.85 1py1 n SER 108 Cb 0.52 -1.59 0.66 0.00 -0.26 0.00 0.00 64.21 63.54 1py1 n SER 108 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1py1 h GLU 109 N 5.08 0.10 0.55 4.33 4.57 -1.96 -1.55 114.58 125.70 1py1 h GLU 109 Ca -0.46 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 57.68 1py1 h GLU 109 Cb 1.22 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.79 1py1 h GLU 109 CO 0.82 0.07 -0.27 -0.22 -1.18 0.00 0.00 179.01 178.23 1py1 h LYS 110 N 0.11 -0.72 -0.94 1.92 3.64 -2.00 -0.87 116.57 117.71 1py1 h LYS 110 Ca 0.39 0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.94 1py1 h LYS 110 Cb 1.39 0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 33.30 1py1 h LYS 110 CO -0.05 -0.43 0.60 0.28 -2.27 0.00 0.00 179.45 177.58 1py1 h VAL 111 N -0.87 0.91 0.07 2.00 2.07 -1.68 -1.87 116.25 116.88 1py1 h VAL 111 Ca -0.08 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1py1 h VAL 111 Cb 0.62 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1py1 h VAL 111 CO 0.13 0.16 -0.03 0.11 0.02 0.00 0.00 177.57 177.96 1py1 h LYS 112 N 0.89 -0.09 -0.80 1.57 1.57 -1.22 -2.44 116.57 116.05 1py1 h LYS 112 Ca 0.46 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.33 1py1 h LYS 112 Cb 0.53 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.79 1py1 h LYS 112 CO -0.22 0.25 0.46 -0.91 -0.57 0.00 0.00 179.45 178.46 1py1 h ASN 113 N -0.43 0.67 -0.70 0.86 -0.26 -0.87 -1.38 115.58 113.47 1py1 h ASN 113 Ca -0.01 0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.76 1py1 h ASN 113 Cb 0.38 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.51 1py1 h ASN 113 CO 0.01 0.40 0.37 0.50 -1.06 0.00 0.00 177.43 177.66 1py1 h LYS 114 N 0.79 0.98 -0.67 0.81 3.64 -1.32 0.57 116.57 121.36 1py1 h LYS 114 Ca 0.38 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.65 1py1 h LYS 114 Cb 0.30 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 1py1 h LYS 114 CO -0.23 0.74 0.44 0.82 -2.27 0.00 0.00 179.45 178.95 1py1 h ILE 115 N 0.96 1.14 -0.36 2.00 2.04 -0.83 -1.17 117.51 121.28 1py1 h ILE 115 Ca 0.24 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.73 1py1 h ILE 115 Cb 0.06 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 1py1 h ILE 115 CO -0.04 0.16 -0.09 -0.07 0.00 0.00 0.00 178.15 178.11 1py1 h LEU 116 N 0.88 0.59 -0.32 1.44 3.38 -0.58 -1.29 115.31 119.42 1py1 h LEU 116 Ca 0.26 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1py1 h LEU 116 Cb -0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1py1 h LEU 116 CO -0.07 0.72 -0.05 -0.33 0.09 0.00 0.00 178.44 178.80 1py1 h GLU 117 N 0.57 0.60 0.54 1.13 5.08 -0.46 -2.39 114.58 119.65 1py1 h GLU 117 Ca 0.11 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1py1 h GLU 117 Cb 0.49 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.71 1py1 h GLU 117 CO 0.03 0.76 -0.26 -0.07 -1.00 0.00 0.00 179.01 178.47 1py1 h LEU 118 N 0.38 -0.62 -0.92 1.33 3.38 -0.97 0.10 115.31 118.00 1py1 h LEU 118 Ca 0.08 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.25 1py1 h LEU 118 Cb 0.53 0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.34 1py1 h LEU 118 CO 0.03 -0.44 0.50 -0.07 0.09 0.00 0.00 178.44 178.55 1py1 h LEU 119 N -0.73 0.60 0.23 1.67 3.38 -1.26 0.14 115.31 119.34 1py1 h LEU 119 Ca -0.07 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1py1 h LEU 119 Cb 0.56 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1py1 h LEU 119 CO 0.12 0.21 -0.11 0.22 0.09 0.00 0.00 178.44 178.97 1py1 h TYR 120 N 0.64 -0.29 -1.03 1.13 3.20 -1.24 -1.84 116.97 117.54 1py1 h TYR 120 Ca 0.52 -0.01 0.29 0.00 3.14 0.00 0.00 58.73 62.67 1py1 h TYR 120 Cb 0.81 0.10 -0.13 0.00 1.54 0.00 0.00 36.73 39.05 1py1 h TYR 120 CO -0.07 0.05 0.61 1.03 -1.64 0.00 0.00 178.16 178.15 1py1 h SER 121 N -0.68 0.56 0.68 -2.11 0.87 0.60 -0.05 113.55 113.41 1py1 h SER 121 Ca -0.03 0.15 -0.24 0.00 -1.23 0.00 0.00 61.79 60.44 1py1 h SER 121 Cb 0.48 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1py1 h SER 121 CO 0.05 -0.00 -1.08 -0.50 -0.53 0.00 0.00 176.83 174.78 1py1 h TRP 122 N 0.43 0.34 0.00 2.24 6.55 -0.71 -1.80 115.95 123.01 1py1 h TRP 122 Ca 0.68 -0.23 -0.02 0.00 0.95 0.00 0.00 58.89 60.27 1py1 h TRP 122 Cb 1.51 -0.02 -0.00 0.00 -0.86 0.00 0.00 29.16 29.79 1py1 h TRP 122 CO -0.01 1.13 -0.10 1.79 -1.05 0.00 0.00 178.44 180.21 1py1 h THR 123 N 0.08 0.36 0.00 1.49 1.35 -0.15 0.18 112.91 116.21 1py1 h THR 123 Ca -0.08 -0.57 -0.25 0.00 -0.55 0.00 0.00 66.41 64.96 1py1 h THR 123 Cb 1.78 1.42 -0.04 0.00 -1.73 0.00 0.00 68.15 69.58 1py1 h THR 123 CO 0.17 0.09 -1.36 0.52 -0.25 0.00 0.00 175.52 174.69 1py1 n VAL 124 N -3.39 1.53 1.09 6.82 0.31 -0.81 -3.56 118.33 120.32 1py1 n VAL 124 Ca -0.01 -0.05 0.14 0.00 -0.01 0.00 0.00 64.34 64.41 1py1 n VAL 124 Cb 0.27 -2.04 0.60 0.00 -0.91 0.00 0.00 33.84 31.76 1py1 n VAL 124 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1py1 n GLY 125 N 1.42 -1.41 2.41 2.92 0.00 -0.68 -4.10 105.19 105.75 1py1 n GLY 125 Ca -0.33 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 1py1 n GLY 125 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1py1 n LEU 126 N -1.44 0.70 0.19 0.99 4.77 0.61 -4.94 117.00 117.88 1py1 n LEU 126 Ca 0.08 -4.42 0.18 0.00 -0.03 0.00 0.00 56.01 51.83 1py1 n LEU 126 Cb 0.32 0.61 0.80 0.00 -2.33 0.00 0.00 43.42 42.82 1py1 n LEU 126 CO 0.27 2.01 1.16 1.55 -1.33 0.00 0.00 177.39 181.05 1py1 h PRO 127 N 2.96 0.00 -0.17 3.23 0.13 -1.68 -2.47 132.00 134.00 1py1 h PRO 127 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 1py1 h PRO 127 Cb 1.06 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.12 1py1 h PRO 127 CO 0.45 0.00 -0.37 0.93 -0.23 0.00 0.00 178.00 178.78 1py1 h GLU 128 N 0.00 -0.40 -5.24 0.86 3.07 -1.91 -3.33 114.58 107.63 1py1 h GLU 128 Ca 0.11 0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.98 1py1 h GLU 128 Cb 0.79 0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.79 1py1 h GLU 128 CO -0.00 -0.27 0.05 -1.21 -1.40 0.00 0.00 179.01 176.18 1py1 s GLU 129 N -5.95 1.40 0.24 2.33 0.41 -0.93 -4.76 118.70 111.44 1py1 s GLU 129 Ca -0.15 0.03 -0.07 0.00 -0.41 0.00 0.00 54.97 54.37 1py1 s GLU 129 Cb 0.10 -4.88 0.24 0.00 -1.78 0.00 0.00 34.13 27.81 1py1 s GLU 129 CO 0.65 -4.96 1.90 0.28 -0.49 0.00 0.00 175.26 172.65 1py1 h VAL 130 N 7.21 1.21 -0.97 2.63 2.07 -1.85 -2.75 116.25 123.79 1py1 h VAL 130 Ca 0.01 -0.42 0.12 0.00 0.82 0.00 0.00 66.70 67.23 1py1 h VAL 130 Cb 1.00 -0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 30.58 1py1 h VAL 130 CO 1.01 0.22 0.62 0.11 0.02 0.00 0.00 177.57 179.55 1py1 h LYS 131 N 1.21 0.92 0.04 1.57 1.57 -1.86 1.00 116.57 121.03 1py1 h LYS 131 Ca 0.34 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1py1 h LYS 131 Cb -0.10 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.01 1py1 h LYS 131 CO -0.09 0.61 -0.02 0.82 -0.57 0.00 0.00 179.45 180.20 1py1 h ILE 132 N 0.95 1.07 -0.34 1.86 2.04 -1.67 0.99 117.51 122.40 1py1 h ILE 132 Ca 0.47 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 1py1 h ILE 132 Cb 0.49 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1py1 h ILE 132 CO -0.24 0.09 0.14 0.00 0.00 0.00 0.00 178.15 178.15 1py1 h ALA 133 N 0.73 0.44 -0.82 1.87 0.00 -1.22 0.11 119.26 120.38 1py1 h ALA 133 Ca -0.01 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.90 1py1 h ALA 133 Cb 0.20 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 1py1 h ALA 133 CO 0.01 0.03 0.44 1.49 0.00 0.00 0.00 179.25 181.22 1py1 h GLU 134 N 0.41 0.67 -0.19 0.00 4.81 0.12 0.16 114.58 120.56 1py1 h GLU 134 Ca 0.11 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 1py1 h GLU 134 Cb 0.17 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1py1 h GLU 134 CO -0.01 0.44 -0.33 0.00 -0.73 0.00 0.00 179.01 178.38 1py1 h ALA 135 N 1.50 0.29 -0.84 2.92 0.00 -0.53 -2.74 119.26 119.87 1py1 h ALA 135 Ca 0.42 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1py1 h ALA 135 Cb 0.50 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1py1 h ALA 135 CO -0.31 0.34 0.56 -0.92 0.00 0.00 0.00 179.25 178.92 1py1 h TYR 136 N 0.21 1.02 -0.26 0.00 3.20 -0.19 -2.16 116.97 118.81 1py1 h TYR 136 Ca 0.01 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1py1 h TYR 136 Cb 0.92 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1py1 h TYR 136 CO 0.09 0.61 0.06 0.37 -1.64 0.00 0.00 178.16 177.65 1py1 h GLN 137 N 1.07 0.41 -0.78 1.82 5.75 -0.67 -1.91 115.11 120.80 1py1 h GLN 137 Ca 0.33 -0.10 0.04 0.00 -0.15 0.00 0.00 58.65 58.77 1py1 h GLN 137 Cb -0.02 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.43 1py1 h GLN 137 CO -0.09 0.51 0.49 1.98 -2.65 0.00 0.00 178.83 179.08 1py1 h MET 138 N 0.24 0.91 0.00 1.69 4.05 -1.11 0.14 114.93 120.85 1py1 h MET 138 Ca 0.08 -0.06 -0.05 0.00 -0.28 0.00 0.00 59.70 59.39 1py1 h MET 138 Cb 0.29 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 1py1 h MET 138 CO 0.00 0.61 -0.25 -0.07 0.23 0.00 0.00 176.91 177.42 1py1 h LEU 139 N 0.94 0.00 0.17 3.39 3.38 -1.26 0.29 115.31 122.23 1py1 h LEU 139 Ca 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1py1 h LEU 139 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1py1 h LEU 139 CO -0.13 0.25 -0.08 0.50 0.09 0.00 0.00 178.44 179.07 1py1 h LYS 140 N 0.00 -0.22 -0.05 1.13 3.64 -0.34 -1.39 116.57 119.34 1py1 h LYS 140 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1py1 h LYS 140 Cb 0.52 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1py1 h LYS 140 CO 0.03 0.17 0.03 0.87 -2.27 0.00 0.00 179.45 178.28 1py1 h LYS 141 N -0.92 0.06 0.00 1.90 1.57 -0.98 0.10 116.57 118.30 1py1 h LYS 141 Ca -0.02 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1py1 h LYS 141 Cb 0.49 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1py1 h LYS 141 CO 0.04 0.04 0.00 0.94 -0.57 0.00 0.00 179.45 179.90 1py1 n GLN 142 N -4.53 0.45 -1.00 3.15 7.27 0.08 -4.83 117.38 117.97 1py1 n GLN 142 Ca -0.02 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.09 1py1 n GLN 142 Cb 0.09 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.24 1py1 n GLN 142 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1py1 n GLY 143 N 0.12 0.93 0.10 1.69 0.00 0.36 -4.89 105.19 103.49 1py1 n GLY 143 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1py1 n GLY 143 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1py1 n ILE 144 N -2.14 0.66 -0.39 -0.61 5.41 -0.54 -5.02 119.36 116.72 1py1 n ILE 144 Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1py1 n ILE 144 Cb 0.00 -0.83 0.00 0.00 -0.71 0.00 0.00 39.64 38.10 1py1 n ILE 144 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07