#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1prw n ASP 2 N 0.00 0.00 -0.13 0.00 5.75 -1.26 -2.81 116.55 118.10 1prw n ASP 2 Ca 0.00 -0.54 0.02 0.00 -0.01 0.00 0.00 54.79 54.26 1prw n ASP 2 Cb 0.00 -0.09 0.01 0.00 -1.03 0.00 0.00 41.12 40.02 1prw n ASP 2 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1prw n GLN 3 N -1.09 -0.13 -4.41 0.11 6.02 -1.26 -5.05 117.38 111.57 1prw n GLN 3 Ca 0.16 -0.66 -0.25 0.00 -0.01 0.00 0.00 57.00 56.24 1prw n GLN 3 Cb 0.11 -1.04 -0.11 0.00 1.02 0.00 0.00 30.24 30.22 1prw n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1prw s LEU 4 N -0.40 2.47 0.69 1.08 1.43 -1.12 -4.42 118.68 118.41 1prw s LEU 4 Ca 0.04 -0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 52.13 1prw s LEU 4 Cb 0.03 -1.06 0.01 0.00 0.03 0.00 0.00 46.19 45.20 1prw s LEU 4 CO 0.05 0.06 1.07 0.42 0.23 0.00 0.00 176.35 178.18 1prw s THR 5 N -1.97 3.54 0.47 5.49 -4.23 -1.26 -4.87 115.64 112.80 1prw s THR 5 Ca 0.21 0.43 0.15 0.00 -1.18 0.00 0.00 61.69 61.30 1prw s THR 5 Cb -0.07 -3.48 0.21 0.00 1.34 0.00 0.00 72.50 70.50 1prw s THR 5 CO 0.10 -0.62 2.04 -0.33 -0.54 0.00 0.00 174.62 175.27 1prw h GLU 6 N -0.58 0.02 -0.24 3.99 5.08 -1.99 -1.34 114.58 119.52 1prw h GLU 6 Ca -0.45 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.70 1prw h GLU 6 Cb 1.25 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1prw h GLU 6 CO 0.63 0.13 -0.65 0.93 -1.00 0.00 0.00 179.01 179.06 1prw h GLU 7 N 0.02 0.85 -0.48 2.33 4.39 -1.94 -1.38 114.58 118.37 1prw h GLU 7 Ca 0.00 -0.60 -0.05 0.00 0.34 0.00 0.00 59.36 59.05 1prw h GLU 7 Cb 0.21 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1prw h GLU 7 CO 0.01 1.23 0.10 1.96 -1.16 0.00 0.00 179.01 181.15 1prw h GLN 8 N 0.63 0.78 -0.75 2.33 4.20 -1.77 -1.06 115.11 119.45 1prw h GLN 8 Ca -0.01 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.50 1prw h GLN 8 Cb 1.27 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.91 1prw h GLN 8 CO 0.14 0.77 0.48 0.82 -0.67 0.00 0.00 178.83 180.37 1prw h ILE 9 N 0.65 1.20 -0.32 2.54 2.04 -1.21 0.01 117.51 122.42 1prw h ILE 9 Ca 0.15 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1prw h ILE 9 Cb 0.35 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1prw h ILE 9 CO 0.00 0.20 0.20 0.00 0.00 0.00 0.00 178.15 178.56 1prw h ALA 10 N 1.26 0.41 -0.43 1.87 0.00 -0.86 -1.71 119.26 119.80 1prw h ALA 10 Ca 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1prw h ALA 10 Cb -0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1prw h ALA 10 CO -0.06 -0.10 0.22 0.93 0.00 0.00 0.00 179.25 180.25 1prw h GLU 11 N 0.42 0.60 0.00 0.00 4.39 -0.75 -2.70 114.58 116.55 1prw h GLU 11 Ca 0.12 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1prw h GLU 11 Cb -0.00 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1prw h GLU 11 CO -0.02 0.50 -0.03 0.74 -1.16 0.00 0.00 179.01 179.03 1prw h PHE 12 N 0.55 0.00 -0.63 4.33 0.04 -0.78 -1.70 116.94 118.75 1prw h PHE 12 Ca 0.15 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.88 1prw h PHE 12 Cb 0.08 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.20 1prw h PHE 12 CO -0.02 0.03 0.25 0.87 -0.60 0.00 0.00 178.31 178.84 1prw h LYS 13 N 0.00 0.95 -0.09 1.51 1.57 -0.97 0.13 116.57 119.66 1prw h LYS 13 Ca -0.00 -0.17 -0.18 0.00 -1.87 0.00 0.00 60.65 58.43 1prw h LYS 13 Cb 0.41 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1prw h LYS 13 CO 0.00 0.80 -0.69 1.49 -0.57 0.00 0.00 179.45 180.49 1prw h GLU 14 N 0.88 0.41 -0.40 3.15 4.57 -1.39 -3.05 114.58 118.75 1prw h GLU 14 Ca 0.21 -0.32 -0.07 0.00 -1.18 0.00 0.00 59.36 58.00 1prw h GLU 14 Cb 0.21 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 1prw h GLU 14 CO -0.02 0.95 -0.04 0.00 -1.18 0.00 0.00 179.01 178.72 1prw h ALA 15 N 0.96 1.18 -0.85 2.92 0.00 -0.84 -2.17 119.26 120.46 1prw h ALA 15 Ca -0.02 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1prw h ALA 15 Cb 1.25 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1prw h ALA 15 CO 0.12 0.53 0.56 0.35 0.00 0.00 0.00 179.25 180.81 1prw h PHE 16 N 0.62 1.04 -0.30 0.00 3.04 -0.65 -1.12 116.94 119.56 1prw h PHE 16 Ca 0.12 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.03 1prw h PHE 16 Cb 0.45 -0.35 -0.02 0.00 2.56 0.00 0.00 35.95 38.60 1prw h PHE 16 CO 0.02 0.62 -0.11 1.03 -2.02 0.00 0.00 178.31 177.86 1prw h SER 17 N 1.09 0.49 -0.57 0.41 0.87 -1.36 -1.44 113.55 113.04 1prw h SER 17 Ca 0.33 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 1prw h SER 17 Cb -0.04 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 1prw h SER 17 CO -0.09 0.64 0.07 -0.07 -0.53 0.00 0.00 176.83 176.85 1prw h LEU 18 N 0.47 0.94 -0.56 2.23 3.38 -0.94 -3.09 115.31 117.74 1prw h LEU 18 Ca 0.09 -0.27 -0.16 0.00 0.09 0.00 0.00 57.88 57.63 1prw h LEU 18 Cb 0.47 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1prw h LEU 18 CO 0.03 0.98 -0.68 -0.26 0.09 0.00 0.00 178.44 178.59 1prw h PHE 19 N 0.86 0.28 -1.05 1.13 -1.00 -1.09 -3.38 116.94 112.69 1prw h PHE 19 Ca 0.17 -0.12 -0.69 0.00 2.81 0.00 0.00 57.97 60.14 1prw h PHE 19 Cb 0.46 -0.04 -0.09 0.00 3.61 0.00 0.00 35.95 39.88 1prw h PHE 19 CO 0.03 0.82 2.10 -3.47 -1.61 0.00 0.00 178.31 176.18 1prw n ASP 20 N -3.81 4.96 0.05 2.17 2.03 -0.57 -4.66 116.55 116.72 1prw n ASP 20 Ca -0.03 -2.93 -0.08 0.00 0.52 0.00 0.00 54.79 52.27 1prw n ASP 20 Cb 0.67 -1.72 -0.05 0.00 -0.72 0.00 0.00 41.12 39.30 1prw n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1prw h LYS 21 N 7.45 -0.36 0.00 -0.67 1.57 -1.79 -2.27 116.57 120.50 1prw h LYS 21 Ca 0.43 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1prw h LYS 21 Cb 0.86 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1prw h LYS 21 CO 1.44 -0.24 0.00 -0.40 -0.57 0.00 0.00 179.45 179.68 1prw n ASP 22 N -3.99 0.61 -2.53 0.86 5.68 -1.26 -4.89 116.55 111.02 1prw n ASP 22 Ca -0.04 0.68 -0.15 0.00 -0.50 0.00 0.00 54.79 54.77 1prw n ASP 22 Cb 0.21 -0.80 0.05 0.00 -1.14 0.00 0.00 41.12 39.44 1prw n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1prw n GLY 23 N -0.31 -0.03 0.72 6.12 0.00 -0.86 -4.92 105.19 105.92 1prw n GLY 23 Ca 0.01 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.08 1prw n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1prw n ASP 24 N -1.54 2.19 0.00 1.61 5.75 -1.26 -4.93 116.55 118.37 1prw n ASP 24 Ca -0.01 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 1prw n ASP 24 Cb 0.55 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1prw n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1prw n GLY 25 N 1.25 0.72 3.09 6.12 0.00 -1.26 -5.05 105.19 110.06 1prw n GLY 25 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 1prw n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1prw s THR 26 N -2.59 0.19 -0.17 2.61 -4.23 -1.26 -4.63 115.64 105.56 1prw s THR 26 Ca 0.00 -1.58 -0.04 0.00 -1.18 0.00 0.00 61.69 58.89 1prw s THR 26 Cb 0.00 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.51 1prw s THR 26 CO 0.00 -0.87 -0.03 -0.63 -0.54 0.00 0.00 174.62 172.55 1prw s ILE 27 N -3.52 3.90 0.43 2.99 1.01 -0.03 -4.75 121.20 121.24 1prw s ILE 27 Ca 0.03 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.39 1prw s ILE 27 Cb 0.05 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.80 1prw s ILE 27 CO -0.09 0.47 0.61 0.42 0.00 0.00 0.00 174.94 176.35 1prw s THR 28 N 0.58 3.25 0.24 2.92 -4.23 -1.26 -1.44 115.64 115.69 1prw s THR 28 Ca -0.02 -0.88 -0.06 0.00 -1.18 0.00 0.00 61.69 59.55 1prw s THR 28 Cb -0.14 -3.13 0.21 0.00 1.34 0.00 0.00 72.50 70.77 1prw s THR 28 CO 0.02 -0.06 1.86 0.74 -0.54 0.00 0.00 174.62 176.64 1prw h THR 29 N 0.54 1.09 -0.35 3.99 2.02 -1.94 -0.38 112.91 117.88 1prw h THR 29 Ca -0.42 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.38 1prw h THR 29 Cb 1.28 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1prw h THR 29 CO 0.49 0.19 0.09 0.50 0.37 0.00 0.00 175.52 177.16 1prw h LYS 30 N 1.02 0.56 -0.67 6.66 3.64 -1.99 -1.43 116.57 124.36 1prw h LYS 30 Ca 0.36 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1prw h LYS 30 Cb 0.09 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1prw h LYS 30 CO -0.14 0.60 0.29 0.93 -2.27 0.00 0.00 179.45 178.85 1prw h GLU 31 N 0.41 1.00 -0.65 1.90 5.08 -1.79 -1.29 114.58 119.24 1prw h GLU 31 Ca 0.11 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1prw h GLU 31 Cb 0.29 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1prw h GLU 31 CO -0.00 0.82 0.43 1.25 -1.00 0.00 0.00 179.01 180.51 1prw h LEU 32 N 0.95 0.74 0.15 1.33 5.85 -0.89 -1.79 115.31 121.65 1prw h LEU 32 Ca 0.23 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1prw h LEU 32 Cb 0.18 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1prw h LEU 32 CO -0.02 0.54 -0.07 1.23 -0.34 0.00 0.00 178.44 179.77 1prw h GLY 33 N 0.88 -0.21 0.44 3.75 0.00 -0.86 -1.04 103.07 106.04 1prw h GLY 33 Ca 0.24 0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.70 1prw h GLY 33 CO -0.06 -0.08 -0.09 -0.84 0.00 0.00 0.00 176.54 175.47 1prw h THR 34 N -0.40 0.68 -0.38 4.70 2.02 -1.10 -0.56 112.91 117.87 1prw h THR 34 Ca -0.02 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.06 1prw h THR 34 Cb 0.32 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1prw h THR 34 CO 0.03 0.00 -0.14 0.58 0.37 0.00 0.00 175.52 176.36 1prw h VAL 35 N -0.05 1.28 -0.74 3.16 2.07 -1.35 -2.25 116.25 118.36 1prw h VAL 35 Ca 0.12 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 1prw h VAL 35 Cb 0.24 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1prw h VAL 35 CO -0.28 0.42 0.33 0.24 0.02 0.00 0.00 177.57 178.30 1prw h MET 36 N 0.58 1.08 -0.12 1.57 2.86 -0.96 -0.68 114.93 119.26 1prw h MET 36 Ca 0.09 -0.17 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 1prw h MET 36 Cb 0.68 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1prw h MET 36 CO 0.05 0.86 -0.25 0.00 1.06 0.00 0.00 176.91 178.63 1prw h ARG 37 N 1.07 0.21 0.00 1.72 3.08 -1.02 -0.57 114.38 118.87 1prw h ARG 37 Ca 0.25 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 1prw h ARG 37 Cb 0.16 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1prw h ARG 37 CO -0.03 0.46 -0.16 0.77 -1.07 0.00 0.00 179.97 179.94 1prw h SER 38 N 0.19 0.00 -0.93 7.04 0.02 -0.66 -3.12 113.55 116.10 1prw h SER 38 Ca 0.03 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.49 1prw h SER 38 Cb 0.55 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 62.81 1prw h SER 38 CO 0.04 0.16 0.63 0.18 -1.14 0.00 0.00 176.83 176.70 1prw n LEU 39 N -3.23 6.58 0.00 5.07 4.77 -0.36 -4.89 117.00 124.94 1prw n LEU 39 Ca 0.01 -3.52 0.00 0.00 -0.03 0.00 0.00 56.01 52.47 1prw n LEU 39 Cb 0.46 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1prw n LEU 39 CO 0.33 1.05 0.00 0.61 -1.33 0.00 0.00 177.39 178.05 1prw n GLY 40 N -1.01 0.65 3.96 -0.72 0.00 -1.18 -3.76 105.19 103.13 1prw n GLY 40 Ca 0.56 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.36 1prw n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1prw s GLN 41 N -0.15 2.93 -0.34 1.61 -1.52 -0.32 -4.75 119.66 117.12 1prw s GLN 41 Ca 0.00 -0.63 0.16 0.00 -1.95 0.00 0.00 55.36 52.94 1prw s GLN 41 Cb 0.00 -2.57 0.44 0.00 -0.22 0.00 0.00 33.01 30.66 1prw s GLN 41 CO 0.00 -0.35 1.07 -1.71 -0.25 0.00 0.00 175.29 174.05 1prw n ASN 42 N -2.10 0.49 -4.77 5.90 5.15 -1.26 -4.07 115.26 114.60 1prw n ASN 42 Ca 0.03 -2.62 -0.37 0.00 -0.60 0.00 0.00 54.58 51.01 1prw n ASN 42 Cb 0.58 -0.09 -0.01 0.00 -0.53 0.00 0.00 39.78 39.74 1prw n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1prw s PRO 43 N -2.19 3.74 0.82 1.20 0.04 -1.26 -5.04 135.00 132.32 1prw s PRO 43 Ca 0.25 1.82 -0.12 0.00 0.04 0.00 0.00 61.00 62.99 1prw s PRO 43 Cb 0.44 -2.42 0.09 0.00 0.04 0.00 0.00 34.50 32.65 1prw s PRO 43 CO 0.00 -0.58 1.19 0.95 0.04 0.00 0.00 177.00 178.60 1prw s THR 44 N -1.51 2.01 0.24 1.26 -4.23 -1.26 -4.86 115.64 107.29 1prw s THR 44 Ca 0.63 -0.01 -0.05 0.00 -1.18 0.00 0.00 61.69 61.08 1prw s THR 44 Cb -0.30 -3.00 0.17 0.00 1.34 0.00 0.00 72.50 70.72 1prw s THR 44 CO 0.36 0.00 1.82 -0.08 -0.54 0.00 0.00 174.62 176.18 1prw h GLU 45 N -1.10 1.09 -0.49 3.99 4.57 -1.99 -1.60 114.58 119.04 1prw h GLU 45 Ca -0.46 -0.18 -0.08 0.00 -1.18 0.00 0.00 59.36 57.46 1prw h GLU 45 Cb 1.32 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 1prw h GLU 45 CO 0.63 0.88 -0.00 0.00 -1.18 0.00 0.00 179.01 179.33 1prw h ALA 46 N 1.26 1.06 -0.20 2.92 0.00 -1.99 -1.17 119.26 121.14 1prw h ALA 46 Ca 0.25 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1prw h ALA 46 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1prw h ALA 46 CO -0.02 0.59 -0.43 0.93 0.00 0.00 0.00 179.25 180.32 1prw h GLU 47 N 0.77 0.48 -0.32 0.00 5.08 -1.82 -1.21 114.58 117.56 1prw h GLU 47 Ca 0.15 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1prw h GLU 47 Cb 0.47 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1prw h GLU 47 CO 0.02 0.82 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.65 1prw h LEU 48 N 0.39 0.68 -0.88 1.33 3.38 -0.99 -0.59 115.31 118.62 1prw h LEU 48 Ca 0.03 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 1prw h LEU 48 Cb 0.91 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1prw h LEU 48 CO 0.08 0.92 0.18 -0.61 0.09 0.00 0.00 178.44 179.10 1prw h GLN 49 N 0.43 1.01 -0.53 1.13 5.75 -1.08 -1.92 115.11 119.90 1prw h GLN 49 Ca 0.08 -0.21 -0.12 0.00 -0.15 0.00 0.00 58.65 58.24 1prw h GLN 49 Cb 0.65 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.04 1prw h GLN 49 CO 0.04 0.88 -0.14 -0.44 -2.65 0.00 0.00 178.83 176.52 1prw h ASP 50 N 0.97 1.04 -0.49 -0.69 3.32 -1.06 -0.66 116.42 118.85 1prw h ASP 50 Ca 0.21 -0.36 0.04 0.00 0.02 0.00 0.00 57.03 56.94 1prw h ASP 50 Cb 0.30 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 1prw h ASP 50 CO -0.00 1.16 0.24 0.24 -1.72 0.00 0.00 179.24 179.16 1prw h MET 51 N 0.90 0.46 0.58 3.56 2.86 -0.71 -0.94 114.93 121.63 1prw h MET 51 Ca 0.13 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 1prw h MET 51 Cb 0.72 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 32.28 1prw h MET 51 CO 0.05 0.30 -0.28 0.82 1.06 0.00 0.00 176.91 178.87 1prw h ILE 52 N 0.47 0.27 -0.99 -1.22 1.08 -1.18 -3.25 117.51 112.69 1prw h ILE 52 Ca 0.22 -0.34 0.14 0.00 -0.39 0.00 0.00 64.86 64.48 1prw h ILE 52 Cb 0.14 0.36 -0.09 0.00 -3.07 0.00 0.00 36.82 34.16 1prw h ILE 52 CO -0.16 0.04 0.62 0.78 -0.69 0.00 0.00 178.15 178.74 1prw h ASN 53 N -1.05 0.87 -0.27 1.72 2.35 -1.02 0.49 115.58 118.67 1prw h ASN 53 Ca -0.08 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1prw h ASN 53 Cb 0.66 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1prw h ASN 53 CO 0.13 0.43 0.18 -0.33 -1.65 0.00 0.00 177.43 176.20 1prw h GLU 54 N 0.92 0.33 -0.09 0.81 5.08 -1.21 -2.91 114.58 117.51 1prw h GLU 54 Ca 0.51 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 1prw h GLU 54 Cb 0.60 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1prw h GLU 54 CO -0.28 0.22 0.00 1.33 -1.00 0.00 0.00 179.01 179.28 1prw n VAL 55 N -4.50 0.40 -2.17 3.13 0.24 -0.87 -4.81 118.33 109.75 1prw n VAL 55 Ca 0.01 -0.70 -0.43 0.00 -2.04 0.00 0.00 64.34 61.19 1prw n VAL 55 Cb 0.09 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 1prw n VAL 55 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1prw n ASP 56 N 0.28 4.44 0.18 -1.34 2.03 0.11 -4.77 116.55 117.49 1prw n ASP 56 Ca 0.05 -2.90 0.11 0.00 0.52 0.00 0.00 54.79 52.57 1prw n ASP 56 Cb 0.24 -1.67 0.65 0.00 -0.72 0.00 0.00 41.12 39.62 1prw n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1prw h ALA 57 N 6.64 2.13 -0.64 -1.67 0.00 -1.87 -1.82 119.26 122.02 1prw h ALA 57 Ca 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1prw h ALA 57 Cb 0.74 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1prw h ALA 57 CO 1.67 -0.17 0.00 -0.40 0.00 0.00 0.00 179.25 180.35 1prw n ASP 58 N -4.50 3.70 -3.79 0.00 5.68 -1.26 -4.97 116.55 111.41 1prw n ASP 58 Ca 0.01 -1.99 -0.30 0.00 -0.50 0.00 0.00 54.79 52.01 1prw n ASP 58 Cb 0.23 -0.43 -0.00 0.00 -1.14 0.00 0.00 41.12 39.78 1prw n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1prw n GLY 59 N 1.60 -0.48 1.04 6.12 0.00 -0.68 -4.86 105.19 107.93 1prw n GLY 59 Ca 0.23 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.49 1prw n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1prw n ASN 60 N -2.55 3.08 0.00 1.61 6.94 -1.26 -4.95 115.26 118.13 1prw n ASN 60 Ca 0.03 -1.94 0.00 0.00 -0.02 0.00 0.00 54.58 52.65 1prw n ASN 60 Cb 0.52 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 1prw n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1prw n GLY 61 N 1.43 2.42 3.48 4.83 0.00 -1.26 -5.01 105.19 111.09 1prw n GLY 61 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1prw n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1prw s THR 62 N -2.81 1.26 -0.18 2.61 -4.23 -1.26 -4.70 115.64 106.32 1prw s THR 62 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 1prw s THR 62 Cb 0.00 -2.78 -0.00 0.00 1.34 0.00 0.00 72.50 71.05 1prw s THR 62 CO 0.00 0.00 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.33 1prw s ILE 63 N -3.21 2.84 0.29 2.99 -1.09 -0.52 -4.86 121.20 117.64 1prw s ILE 63 Ca 0.35 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 1prw s ILE 63 Cb 0.08 -2.24 0.06 0.00 -1.58 0.00 0.00 42.46 38.78 1prw s ILE 63 CO 0.16 0.49 0.40 -0.90 -1.23 0.00 0.00 174.94 173.85 1prw n ASP 64 N 4.40 0.59 0.09 3.58 5.68 -1.26 -0.85 116.55 128.78 1prw n ASP 64 Ca -0.19 -1.49 -0.13 0.00 -0.50 0.00 0.00 54.79 52.48 1prw n ASP 64 Cb 0.51 -0.25 -0.07 0.00 -1.14 0.00 0.00 41.12 40.17 1prw n ASP 64 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1prw h PHE 65 N -0.40 -0.13 -0.84 2.11 3.57 -1.99 -0.28 116.94 118.98 1prw h PHE 65 Ca -0.13 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.43 1prw h PHE 65 Cb 0.50 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.22 1prw h PHE 65 CO 0.00 -0.07 0.51 -1.35 -2.23 0.00 0.00 178.31 175.17 1prw h PRO 66 N -0.14 0.90 -0.11 6.41 0.11 -2.00 -0.65 132.00 136.52 1prw h PRO 66 Ca -0.01 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.95 1prw h PRO 66 Cb 0.11 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 1prw h PRO 66 CO 0.02 0.59 -0.34 0.93 -0.21 0.00 0.00 178.00 179.00 1prw h GLU 67 N 0.92 0.21 -0.55 1.05 5.08 -1.82 -2.75 114.58 116.72 1prw h GLU 67 Ca 0.37 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.58 1prw h GLU 67 Cb 0.20 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1prw h GLU 67 CO -0.19 0.53 0.05 0.35 -1.00 0.00 0.00 179.01 178.75 1prw h PHE 68 N 0.18 1.01 -0.86 4.33 3.57 0.27 -1.43 116.94 124.01 1prw h PHE 68 Ca 0.02 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.37 1prw h PHE 68 Cb 0.69 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 1prw h PHE 68 CO 0.01 0.90 0.53 -0.07 -2.23 0.00 0.00 178.31 177.46 1prw h LEU 69 N 0.82 1.01 -0.68 0.59 3.38 -0.90 0.05 115.31 119.57 1prw h LEU 69 Ca 0.16 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1prw h LEU 69 Cb 0.47 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1prw h LEU 69 CO 0.02 0.76 0.15 0.74 0.09 0.00 0.00 178.44 180.19 1prw h THR 70 N 1.17 1.26 -0.57 0.22 2.02 -1.20 -0.79 112.91 115.01 1prw h THR 70 Ca 0.31 -0.99 -0.05 0.00 0.77 0.00 0.00 66.41 66.45 1prw h THR 70 Cb -0.08 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1prw h THR 70 CO -0.06 0.38 0.18 -0.03 0.37 0.00 0.00 175.52 176.36 1prw h MET 71 N 1.03 0.89 -0.56 6.66 1.85 -0.36 -1.53 114.93 122.91 1prw h MET 71 Ca 0.21 -0.19 -0.09 0.00 -0.61 0.00 0.00 59.70 59.01 1prw h MET 71 Cb 0.40 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.28 1prw h MET 71 CO 0.01 0.80 -0.02 0.52 -0.40 0.00 0.00 176.91 177.82 1prw h MET 72 N 0.81 1.00 -0.27 0.39 2.07 -0.73 -0.12 114.93 118.08 1prw h MET 72 Ca 0.19 -0.33 -0.00 0.00 -2.07 0.00 0.00 59.70 57.48 1prw h MET 72 Cb 0.28 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 29.92 1prw h MET 72 CO -0.01 1.01 0.15 0.00 1.07 0.00 0.00 176.91 179.13 1prw h ALA 73 N 0.96 0.34 -0.36 6.32 0.00 -0.96 -2.17 119.26 123.38 1prw h ALA 73 Ca 0.15 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1prw h ALA 73 Cb 0.57 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1prw h ALA 73 CO 0.03 -0.14 -0.17 0.00 0.00 0.00 0.00 179.25 178.98 1prw h ARG 74 N 0.32 0.66 -0.93 0.00 3.08 -1.17 -2.83 114.38 113.50 1prw h ARG 74 Ca 0.09 -0.23 0.04 0.00 0.07 0.00 0.00 59.98 59.96 1prw h ARG 74 Cb 0.05 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 1prw h ARG 74 CO -0.02 0.79 0.60 0.87 -1.07 0.00 0.00 179.97 181.15 1prw h LYS 75 N 0.59 1.11 0.00 0.04 1.79 -0.66 -0.32 116.57 119.11 1prw h LYS 75 Ca 0.10 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1prw h LYS 75 Cb 0.62 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1prw h LYS 75 CO 0.04 0.73 0.00 0.52 -1.08 0.00 0.00 179.45 179.67 1prw h MET 76 N 1.14 0.00 -0.23 3.15 2.86 -1.14 -0.83 114.93 119.89 1prw h MET 76 Ca 0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 1prw h MET 76 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1prw h MET 76 CO -0.14 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.46 1prw n LYS 77 N -2.47 1.92 -1.60 1.72 5.02 -0.15 -4.70 118.16 117.91 1prw n LYS 77 Ca -0.02 -1.83 -0.38 0.00 -2.02 0.00 0.00 58.31 54.07 1prw n LYS 77 Cb 0.05 -1.35 0.05 0.00 -0.02 0.00 0.00 35.03 33.77 1prw n LYS 77 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1prw n ASP 78 N 0.94 0.62 0.12 4.39 8.00 -0.32 -4.85 116.55 125.46 1prw n ASP 78 Ca 0.13 0.81 0.05 0.00 0.71 0.00 0.00 54.79 56.48 1prw n ASP 78 Cb 0.45 -1.37 0.47 0.00 -0.02 0.00 0.00 41.12 40.66 1prw n ASP 78 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1prw h THR 79 N 0.52 1.10 -0.64 -3.53 1.35 -1.94 -1.67 112.91 108.11 1prw h THR 79 Ca -0.48 -0.36 -0.24 0.00 -0.55 0.00 0.00 66.41 64.78 1prw h THR 79 Cb 1.37 0.92 -0.14 0.00 -1.73 0.00 0.00 68.15 68.57 1prw h THR 79 CO 0.51 0.13 0.23 0.47 -0.25 0.00 0.00 175.52 176.61 1prw n ASP 80 N -4.42 3.96 -0.28 5.36 8.00 -1.26 -4.70 116.55 123.22 1prw n ASP 80 Ca -0.00 -3.39 0.01 0.00 0.71 0.00 0.00 54.79 52.12 1prw n ASP 80 Cb 0.15 -0.71 0.14 0.00 -0.02 0.00 0.00 41.12 40.68 1prw n ASP 80 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1prw h SER 81 N 1.84 0.66 -0.34 -2.24 4.64 -1.58 -1.63 113.55 114.90 1prw h SER 81 Ca 0.29 0.04 0.05 0.00 -0.47 0.00 0.00 61.79 61.70 1prw h SER 81 Cb 2.17 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 64.12 1prw h SER 81 CO 0.66 0.40 0.04 -0.08 -0.87 0.00 0.00 176.83 176.98 1prw h GLU 82 N 0.78 0.15 -0.26 4.77 4.81 -1.84 0.94 114.58 123.93 1prw h GLU 82 Ca 0.37 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 1prw h GLU 82 Cb 0.29 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1prw h GLU 82 CO -0.22 0.10 0.11 1.49 -0.73 0.00 0.00 179.01 179.76 1prw h GLU 83 N 0.15 0.39 -0.80 1.92 4.81 -1.83 -1.37 114.58 117.86 1prw h GLU 83 Ca 0.16 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1prw h GLU 83 Cb 0.20 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 1prw h GLU 83 CO -0.24 0.41 0.52 0.93 -0.73 0.00 0.00 179.01 179.90 1prw h GLU 84 N 0.28 1.00 -0.46 1.92 5.08 -0.82 -0.78 114.58 120.80 1prw h GLU 84 Ca 0.09 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1prw h GLU 84 Cb 0.16 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1prw h GLU 84 CO -0.01 0.66 -0.11 0.82 -1.00 0.00 0.00 179.01 179.38 1prw h ILE 85 N 1.03 1.26 -0.43 3.13 2.04 -0.67 -1.82 117.51 122.05 1prw h ILE 85 Ca 0.31 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.95 1prw h ILE 85 Cb -0.05 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1prw h ILE 85 CO -0.09 0.41 0.14 0.03 0.00 0.00 0.00 178.15 178.64 1prw h ARG 86 N 0.74 0.67 -0.36 2.37 3.08 -0.56 -0.96 114.38 119.35 1prw h ARG 86 Ca 0.12 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1prw h ARG 86 Cb 0.60 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1prw h ARG 86 CO 0.04 0.65 0.04 0.93 -1.07 0.00 0.00 179.97 180.55 1prw h GLU 87 N 0.56 0.55 -0.13 0.04 5.08 -0.98 -1.25 114.58 118.45 1prw h GLU 87 Ca 0.14 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1prw h GLU 87 Cb 0.25 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1prw h GLU 87 CO -0.01 0.55 -0.11 0.00 -1.00 0.00 0.00 179.01 178.44 1prw h ALA 88 N 1.51 0.19 -0.79 3.43 0.00 -0.99 -2.97 119.26 119.65 1prw h ALA 88 Ca 0.12 -0.30 0.10 0.00 0.00 0.00 0.00 54.91 54.82 1prw h ALA 88 Cb 0.29 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1prw h ALA 88 CO 0.00 0.04 0.43 0.35 0.00 0.00 0.00 179.25 180.07 1prw h PHE 89 N -0.06 0.78 -0.80 0.00 3.57 -0.83 -1.51 116.94 118.08 1prw h PHE 89 Ca 0.02 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.67 1prw h PHE 89 Cb 0.62 -0.23 -0.08 0.00 2.79 0.00 0.00 35.95 39.04 1prw h PHE 89 CO 0.08 0.30 0.42 -0.09 -2.23 0.00 0.00 178.31 176.79 1prw h ARG 90 N 0.72 0.63 -0.91 1.11 2.43 -1.13 -0.10 114.38 117.14 1prw h ARG 90 Ca 0.38 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.54 1prw h ARG 90 Cb 0.37 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.73 1prw h ARG 90 CO -0.26 0.42 0.60 0.28 -1.51 0.00 0.00 179.97 179.50 1prw h VAL 91 N 0.65 1.19 -0.01 0.20 2.07 -1.12 -3.08 116.25 116.15 1prw h VAL 91 Ca 0.41 -0.41 -0.17 0.00 0.82 0.00 0.00 66.70 67.35 1prw h VAL 91 Cb 0.50 -0.10 0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1prw h VAL 91 CO -0.31 0.22 -0.67 -0.26 0.02 0.00 0.00 177.57 176.57 1prw h PHE 92 N 1.19 0.70 -0.07 1.57 -1.00 -1.12 -3.38 116.94 114.83 1prw h PHE 92 Ca 0.35 -0.37 -0.70 0.00 2.81 0.00 0.00 57.97 60.06 1prw h PHE 92 Cb -0.07 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.38 1prw h PHE 92 CO -0.01 1.19 2.93 -3.47 -1.61 0.00 0.00 178.31 177.34 1prw n ASP 93 N -4.15 3.75 -0.28 2.17 2.03 -0.16 -4.72 116.55 115.18 1prw n ASP 93 Ca -0.10 -2.82 0.06 0.00 0.52 0.00 0.00 54.79 52.44 1prw n ASP 93 Cb 0.70 -1.59 0.20 0.00 -0.72 0.00 0.00 41.12 39.71 1prw n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1prw h LYS 94 N 6.42 0.61 -0.23 -0.67 1.79 -1.74 -1.93 116.57 120.82 1prw h LYS 94 Ca 0.54 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.97 1prw h LYS 94 Cb 0.66 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1prw h LYS 94 CO 1.86 0.40 0.00 -0.40 -1.08 0.00 0.00 179.45 180.23 1prw n ASP 95 N -4.87 1.88 -2.37 0.86 5.68 -1.26 -4.96 116.55 111.51 1prw n ASP 95 Ca 0.15 -1.79 -0.17 0.00 -0.50 0.00 0.00 54.79 52.49 1prw n ASP 95 Cb 0.39 -0.15 -0.01 0.00 -1.14 0.00 0.00 41.12 40.21 1prw n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1prw n GLY 96 N 1.15 -0.39 0.56 6.12 0.00 -0.73 -4.87 105.19 107.04 1prw n GLY 96 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1prw n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1prw n ASN 97 N -1.86 1.70 0.00 1.61 6.94 -1.26 -4.91 115.26 117.48 1prw n ASN 97 Ca -0.20 -1.64 0.00 0.00 -0.02 0.00 0.00 54.58 52.73 1prw n ASN 97 Cb 0.64 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 38.00 1prw n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1prw n GLY 98 N 1.17 0.73 3.01 4.83 0.00 -1.26 -5.06 105.19 108.62 1prw n GLY 98 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 1prw n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1prw s TYR 99 N -2.60 0.74 -0.32 1.61 1.51 -1.26 -3.38 117.35 113.64 1prw s TYR 99 Ca 0.00 -0.17 -0.14 0.00 -1.01 0.00 0.00 57.07 55.75 1prw s TYR 99 Cb 0.00 -0.47 -0.02 0.00 -0.11 0.00 0.00 41.96 41.36 1prw s TYR 99 CO 0.00 -0.01 0.33 0.42 -1.11 0.00 0.00 175.55 175.17 1prw s ILE 100 N -0.29 5.20 0.55 2.71 1.01 0.13 -4.77 121.20 125.75 1prw s ILE 100 Ca 0.02 0.14 -0.02 0.00 0.00 0.00 0.00 60.65 60.80 1prw s ILE 100 Cb -0.04 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.71 1prw s ILE 100 CO -0.00 0.02 0.80 -0.94 0.00 0.00 0.00 174.94 174.82 1prw s SER 101 N 1.72 5.44 0.32 3.58 1.04 -1.26 -1.53 113.70 123.02 1prw s SER 101 Ca 0.11 0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.85 1prw s SER 101 Cb -0.16 -1.28 0.55 0.00 0.10 0.00 0.00 66.02 65.22 1prw s SER 101 CO 0.11 -1.06 1.95 0.00 0.98 0.00 0.00 173.24 175.22 1prw h ALA 102 N 0.02 1.43 -0.46 5.32 0.00 -1.97 -0.12 119.26 123.48 1prw h ALA 102 Ca -0.44 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1prw h ALA 102 Cb 1.28 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1prw h ALA 102 CO 0.57 0.47 0.22 0.00 0.00 0.00 0.00 179.25 180.50 1prw h ALA 103 N 1.51 0.60 -0.45 0.00 0.00 -1.98 0.19 119.26 119.12 1prw h ALA 103 Ca 0.22 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1prw h ALA 103 Cb 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1prw h ALA 103 CO -0.04 0.16 -0.16 0.93 0.00 0.00 0.00 179.25 180.15 1prw h GLU 104 N 0.60 0.86 -0.46 0.00 5.08 -1.71 -0.76 114.58 118.19 1prw h GLU 104 Ca 0.16 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1prw h GLU 104 Cb 0.13 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1prw h GLU 104 CO -0.02 0.96 0.07 1.25 -1.00 0.00 0.00 179.01 180.27 1prw h LEU 105 N 0.76 0.74 -1.33 1.33 5.85 -0.78 -1.95 115.31 119.94 1prw h LEU 105 Ca 0.12 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1prw h LEU 105 Cb 0.68 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1prw h LEU 105 CO 0.05 0.82 0.25 0.03 -0.34 0.00 0.00 178.44 179.25 1prw h ARG 106 N 0.64 0.72 -0.48 1.25 3.08 -0.68 -1.78 114.38 117.12 1prw h ARG 106 Ca 0.14 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 1prw h ARG 106 Cb 0.40 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1prw h ARG 106 CO 0.01 0.55 0.03 1.25 -1.07 0.00 0.00 179.97 180.74 1prw h HIS 107 N 0.72 0.89 -0.30 3.04 2.76 -0.63 -0.38 115.15 121.25 1prw h HIS 107 Ca 0.18 -0.14 -0.04 0.00 -2.20 0.00 0.00 60.37 58.17 1prw h HIS 107 Cb 0.07 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.78 1prw h HIS 107 CO 0.01 0.84 0.03 0.28 -1.30 0.00 0.00 177.93 177.78 1prw h VAL 108 N 0.68 1.24 -0.49 5.26 2.07 -1.01 -1.23 116.25 122.77 1prw h VAL 108 Ca 0.14 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.81 1prw h VAL 108 Cb 0.47 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1prw h VAL 108 CO 0.02 0.28 0.30 0.24 0.02 0.00 0.00 177.57 178.43 1prw h MET 109 N 0.31 0.58 -0.19 1.57 2.07 -1.20 -1.50 114.93 116.57 1prw h MET 109 Ca 0.09 -0.04 -0.11 0.00 -2.07 0.00 0.00 59.70 57.57 1prw h MET 109 Cb 0.38 -0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 29.97 1prw h MET 109 CO 0.01 0.39 -0.37 0.00 1.07 0.00 0.00 176.91 178.01 1prw h THR 110 N 0.60 1.30 -0.03 2.22 1.03 -0.99 0.60 112.91 117.64 1prw h THR 110 Ca 0.19 -1.47 -0.08 0.00 -0.01 0.00 0.00 66.41 65.04 1prw h THR 110 Cb -0.01 1.55 -0.01 0.00 -1.07 0.00 0.00 68.15 68.62 1prw h THR 110 CO -0.08 0.46 -0.34 0.78 -0.01 0.00 0.00 175.52 176.33 1prw h ASN 111 N 0.35 0.05 -0.28 0.00 2.35 -0.83 -2.03 115.58 115.20 1prw h ASN 111 Ca 0.04 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1prw h ASN 111 Cb 0.81 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.17 1prw h ASN 111 CO 0.07 0.39 0.00 0.18 -1.65 0.00 0.00 177.43 176.41 1prw n LEU 112 N -4.13 2.34 -0.12 1.61 4.77 -0.60 -4.88 117.00 115.99 1prw n LEU 112 Ca -0.02 -1.18 -0.02 0.00 -0.03 0.00 0.00 56.01 54.77 1prw n LEU 112 Cb 0.39 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1prw n LEU 112 CO 0.39 0.41 -0.01 0.61 -1.33 0.00 0.00 177.39 177.46 1prw n GLY 113 N 0.63 0.32 0.00 -0.72 0.00 -0.76 -5.02 105.19 99.64 1prw n GLY 113 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1prw n GLY 113 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1prw n GLU 114 N -0.70 1.44 0.00 1.61 4.07 0.15 -4.99 120.64 122.22 1prw n GLU 114 Ca -0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 1prw n GLU 114 Cb 0.33 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.71 1prw n GLU 114 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 1prw n LEU 116 N 0.00 0.00 -4.04 4.31 -0.00 -1.26 -3.98 117.00 112.03 1prw n LEU 116 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 1prw n LEU 116 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 1prw n LEU 116 CO 0.00 0.00 -0.38 0.42 -0.00 0.00 0.00 177.39 177.43 1prw s THR 117 N -2.00 0.34 0.21 1.47 -4.23 -1.26 -5.05 115.64 105.12 1prw s THR 117 Ca 0.00 -1.18 -0.10 0.00 -1.18 0.00 0.00 61.69 59.23 1prw s THR 117 Cb 0.00 -0.68 0.16 0.00 1.34 0.00 0.00 72.50 73.32 1prw s THR 117 CO 0.00 -0.55 1.88 0.44 -0.54 0.00 0.00 174.62 175.84 1prw h ASP 118 N 4.25 0.85 -0.94 3.99 3.32 -2.03 -1.83 116.42 124.03 1prw h ASP 118 Ca -0.34 -0.02 0.10 0.00 0.02 0.00 0.00 57.03 56.80 1prw h ASP 118 Cb 1.19 -0.21 -0.08 0.00 0.22 0.00 0.00 39.33 40.46 1prw h ASP 118 CO 0.46 0.61 0.57 -0.33 -1.72 0.00 0.00 179.24 178.83 1prw h GLU 119 N 1.00 0.91 -0.40 3.56 3.07 -1.99 0.13 114.58 120.87 1prw h GLU 119 Ca 0.28 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 59.03 1prw h GLU 119 Cb -0.09 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.60 1prw h GLU 119 CO -0.07 0.60 0.03 1.49 -1.40 0.00 0.00 179.01 179.66 1prw h GLU 120 N 0.94 0.69 -0.45 2.33 4.81 -1.80 -1.80 114.58 119.30 1prw h GLU 120 Ca 0.45 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1prw h GLU 120 Cb 0.41 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1prw h GLU 120 CO -0.25 0.76 0.11 0.28 -0.73 0.00 0.00 179.01 179.18 1prw h VAL 121 N 0.52 1.23 -0.87 0.32 2.07 -0.55 -1.94 116.25 117.04 1prw h VAL 121 Ca 0.12 -0.82 0.04 0.00 0.82 0.00 0.00 66.70 66.85 1prw h VAL 121 Cb 0.43 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 1prw h VAL 121 CO 0.02 0.29 0.56 0.44 0.02 0.00 0.00 177.57 178.89 1prw h ASP 122 N 0.60 0.92 -0.47 0.57 3.32 -0.64 -2.02 116.42 118.69 1prw h ASP 122 Ca 0.14 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 1prw h ASP 122 Cb 0.32 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1prw h ASP 122 CO 0.00 0.63 -0.21 -0.08 -1.72 0.00 0.00 179.24 177.86 1prw h GLU 123 N 1.08 0.99 -0.44 3.56 4.57 -1.11 0.51 114.58 123.74 1prw h GLU 123 Ca 0.35 -0.42 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1prw h GLU 123 Cb 0.02 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1prw h GLU 123 CO -0.12 1.09 0.24 0.52 -1.18 0.00 0.00 179.01 179.56 1prw h MET 124 N 0.85 0.61 -0.36 1.92 2.86 -1.00 -1.46 114.93 118.35 1prw h MET 124 Ca 0.11 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 1prw h MET 124 Cb 0.79 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1prw h MET 124 CO 0.07 0.48 -0.13 0.82 1.06 0.00 0.00 176.91 179.20 1prw h ILE 125 N 0.57 1.28 -0.80 -1.22 2.04 -1.29 -3.18 117.51 114.91 1prw h ILE 125 Ca 0.15 -1.23 0.09 0.00 1.00 0.00 0.00 64.86 64.87 1prw h ILE 125 Cb 0.05 1.32 -0.07 0.00 -0.74 0.00 0.00 36.82 37.38 1prw h ILE 125 CO -0.03 0.40 0.46 -0.09 0.00 0.00 0.00 178.15 178.90 1prw h ARG 126 N 0.52 0.75 0.00 2.37 2.43 -0.63 0.24 114.38 120.06 1prw h ARG 126 Ca 0.09 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1prw h ARG 126 Cb 0.66 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1prw h ARG 126 CO 0.04 0.50 -0.07 0.93 -1.51 0.00 0.00 179.97 179.87 1prw h GLU 127 N 0.78 0.00 -0.00 0.20 5.08 -1.25 -3.01 114.58 116.38 1prw h GLU 127 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1prw h GLU 127 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1prw h GLU 127 CO -0.24 0.07 -0.25 0.00 -1.00 0.00 0.00 179.01 177.59 1prw n ALA 128 N -2.23 2.76 -2.30 3.43 0.00 -0.74 -4.90 120.51 116.54 1prw n ALA 128 Ca -0.02 -0.23 -0.41 0.00 0.00 0.00 0.00 53.44 52.78 1prw n ALA 128 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 19.45 19.40 1prw n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1prw n ASP 129 N -0.91 4.38 -0.10 0.00 2.03 0.76 -4.81 116.55 117.91 1prw n ASP 129 Ca 0.02 -2.86 -0.10 0.00 0.52 0.00 0.00 54.79 52.37 1prw n ASP 129 Cb 0.11 -1.71 -0.02 0.00 -0.72 0.00 0.00 41.12 38.78 1prw n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1prw h ILE 130 N 5.33 1.17 -0.00 5.18 2.04 -1.88 -2.80 117.51 126.54 1prw h ILE 130 Ca 0.44 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1prw h ILE 130 Cb 0.83 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1prw h ILE 130 CO 1.52 0.17 -0.04 -0.90 0.00 0.00 0.00 178.15 178.91 1prw n ASP 131 N -4.75 0.14 -1.50 1.72 5.68 -1.26 -4.93 116.55 111.64 1prw n ASP 131 Ca -0.02 -0.31 -0.15 0.00 -0.50 0.00 0.00 54.79 53.82 1prw n ASP 131 Cb 0.12 -0.21 -0.03 0.00 -1.14 0.00 0.00 41.12 39.86 1prw n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1prw n GLY 132 N 1.27 0.49 0.36 6.12 0.00 -1.06 -4.91 105.19 107.47 1prw n GLY 132 Ca 0.15 -0.27 0.06 0.00 0.00 0.00 0.00 46.02 45.95 1prw n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1prw n ASP 133 N -0.71 1.07 0.00 1.61 5.75 -1.26 -4.89 116.55 118.11 1prw n ASP 133 Ca -0.17 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 1prw n ASP 133 Cb 0.58 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 1prw n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1prw n GLY 134 N 0.90 0.80 3.26 6.12 0.00 -1.26 -5.01 105.19 109.99 1prw n GLY 134 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 1prw n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1prw s GLN 135 N -0.07 1.24 -0.31 1.61 -0.21 -1.26 -4.59 119.66 116.08 1prw s GLN 135 Ca 0.00 -1.64 -0.04 0.00 0.02 0.00 0.00 55.36 53.70 1prw s GLN 135 Cb 0.00 -0.12 0.04 0.00 1.00 0.00 0.00 33.01 33.93 1prw s GLN 135 CO 0.00 -0.26 0.04 0.08 -2.12 0.00 0.00 175.29 173.03 1prw s VAL 136 N -3.83 3.33 0.80 1.09 1.01 -0.58 -4.74 120.40 117.48 1prw s VAL 136 Ca 0.33 -1.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 1prw s VAL 136 Cb 0.07 -2.87 0.14 0.00 0.00 0.00 0.00 36.38 33.72 1prw s VAL 136 CO 0.09 -0.09 1.11 0.54 0.00 0.00 0.00 175.10 176.75 1prw s ASN 137 N 1.33 4.04 0.15 3.32 2.20 -1.26 -0.69 114.94 124.03 1prw s ASN 137 Ca -0.03 0.04 -0.17 0.00 -0.94 0.00 0.00 52.86 51.75 1prw s ASN 137 Cb -0.19 -0.37 0.05 0.00 -2.00 0.00 0.00 41.25 38.74 1prw s ASN 137 CO 0.00 -2.09 1.71 0.22 -2.94 0.00 0.00 177.10 174.00 1prw h TYR 138 N -0.92 -0.00 -0.69 1.54 3.20 -1.98 -0.49 116.97 117.62 1prw h TYR 138 Ca -0.41 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.54 1prw h TYR 138 Cb 1.27 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 39.53 1prw h TYR 138 CO -0.40 -0.05 0.39 0.93 -1.64 0.00 0.00 178.16 177.39 1prw h GLU 139 N 0.10 0.70 -0.28 1.82 3.07 -1.94 0.64 114.58 118.70 1prw h GLU 139 Ca 0.15 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.86 1prw h GLU 139 Cb 0.20 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 1prw h GLU 139 CO -0.25 0.46 -0.29 0.93 -1.40 0.00 0.00 179.01 178.47 1prw h GLU 140 N 0.72 0.56 -0.39 2.33 5.08 -1.79 -1.22 114.58 119.87 1prw h GLU 140 Ca 0.31 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1prw h GLU 140 Cb 0.19 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1prw h GLU 140 CO -0.18 0.79 -0.03 0.35 -1.00 0.00 0.00 179.01 178.94 1prw h PHE 141 N 0.48 0.77 -0.59 4.33 3.57 -0.25 -2.24 116.94 123.01 1prw h PHE 141 Ca 0.06 -0.14 -0.05 0.00 3.53 0.00 0.00 57.97 61.37 1prw h PHE 141 Cb 0.74 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1prw h PHE 141 CO 0.03 0.80 0.16 0.28 -2.23 0.00 0.00 178.31 177.35 1prw h VAL 142 N 0.52 1.25 -0.77 1.41 2.07 -0.69 -2.60 116.25 117.44 1prw h VAL 142 Ca 0.11 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.77 1prw h VAL 142 Cb 0.51 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1prw h VAL 142 CO 0.03 0.33 0.50 -0.61 0.02 0.00 0.00 177.57 177.83 1prw h GLN 143 N 0.85 0.98 -0.11 1.57 5.75 -1.10 -1.15 115.11 121.90 1prw h GLN 143 Ca 0.19 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.59 1prw h GLN 143 Cb 0.33 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 1prw h GLN 143 CO -0.00 0.65 -0.10 1.98 -2.65 0.00 0.00 178.83 178.70 1prw h MET 144 N 1.00 0.16 -0.77 1.69 4.05 -1.17 -2.26 114.93 117.63 1prw h MET 144 Ca 0.29 -0.03 -0.22 0.00 -0.28 0.00 0.00 59.70 59.47 1prw h MET 144 Cb -0.07 -0.03 -0.13 0.00 -0.80 0.00 0.00 31.60 30.58 1prw h MET 144 CO -0.08 0.27 0.27 -1.33 0.23 0.00 0.00 176.91 176.27 1prw n MET 145 N -4.34 3.66 -4.39 0.39 2.81 -0.51 -4.91 117.12 109.84 1prw n MET 145 Ca -0.01 -2.97 -0.34 0.00 -1.81 0.00 0.00 57.70 52.57 1prw n MET 145 Cb 0.22 -2.20 -0.12 0.00 -0.71 0.00 0.00 33.22 30.42 1prw n MET 145 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1prw s THR 146 N -2.90 3.89 0.03 2.03 2.01 -0.77 -4.75 115.64 115.17 1prw s THR 146 Ca 0.53 -0.36 -0.30 0.00 0.31 0.00 0.00 61.69 61.87 1prw s THR 146 Cb 0.43 -2.71 -0.06 0.00 0.01 0.00 0.00 72.50 70.17 1prw s THR 146 CO 0.13 0.49 1.39 0.00 -0.69 0.00 0.00 174.62 175.95 1prw s ALA 147 N 0.39 3.57 -1.95 7.40 0.00 -1.26 -5.01 121.76 124.90 1prw s ALA 147 Ca -0.04 0.94 0.16 0.00 0.00 0.00 0.00 51.96 53.01 1prw s ALA 147 Cb -0.14 -3.58 0.12 0.00 0.00 0.00 0.00 23.12 19.52 1prw s ALA 147 CO 0.03 -0.83 0.99 1.63 0.00 0.00 0.00 175.76 177.58