#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qpw s HIS 2 N 0.00 3.50 -0.20 6.34 2.46 -1.26 -4.91 115.29 121.22 1qpw s HIS 2 Ca 0.00 -2.27 -0.06 0.00 0.47 0.00 0.00 55.06 53.20 1qpw s HIS 2 Cb 0.00 -2.87 -0.03 0.00 -0.13 0.00 0.00 32.58 29.54 1qpw s HIS 2 CO 0.00 -0.92 0.04 -0.51 -2.47 0.00 0.00 174.74 170.88 1qpw s LEU 3 N 1.17 3.53 0.00 8.88 1.43 -1.26 -5.11 118.68 127.32 1qpw s LEU 3 Ca 0.05 -0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 53.02 1qpw s LEU 3 Cb -0.22 -1.90 0.08 0.00 0.03 0.00 0.00 46.19 44.18 1qpw s LEU 3 CO -0.03 0.10 0.22 -1.54 0.23 0.00 0.00 176.35 175.34 1qpw n SER 4 N 3.99 -1.85 0.09 2.29 3.41 -1.26 -4.76 113.62 115.53 1qpw n SER 4 Ca -0.17 -0.43 -0.19 0.00 -0.26 0.00 0.00 58.87 57.82 1qpw n SER 4 Cb 0.52 -0.23 -0.15 0.00 -0.26 0.00 0.00 64.21 64.10 1qpw n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qpw h ALA 5 N -2.27 0.14 -0.60 7.33 0.00 -1.99 -1.70 119.26 120.17 1qpw h ALA 5 Ca -0.09 -1.02 -0.07 0.00 0.00 0.00 0.00 54.91 53.73 1qpw h ALA 5 Cb 0.29 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1qpw h ALA 5 CO 0.06 1.01 0.09 0.93 0.00 0.00 0.00 179.25 181.34 1qpw h GLU 6 N 0.09 0.97 -0.18 0.00 4.39 -2.00 -2.44 114.58 115.41 1qpw h GLU 6 Ca -0.24 -0.24 -0.08 0.00 0.34 0.00 0.00 59.36 59.13 1qpw h GLU 6 Cb 2.05 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 30.57 1qpw h GLU 6 CO 0.19 0.90 -0.21 0.93 -1.16 0.00 0.00 179.01 179.67 1qpw h GLU 7 N 0.92 0.47 -0.55 2.33 5.08 -1.90 -2.23 114.58 118.69 1qpw h GLU 7 Ca 0.19 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1qpw h GLU 7 Cb 0.40 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1qpw h GLU 7 CO 0.01 0.83 0.34 -0.22 -1.00 0.00 0.00 179.01 178.97 1qpw h LYS 8 N 0.12 0.73 -0.20 2.33 3.64 -1.33 -0.39 116.57 121.47 1qpw h LYS 8 Ca 0.03 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 1qpw h LYS 8 Cb 0.76 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1qpw h LYS 8 CO 0.05 0.51 -0.38 1.49 -2.27 0.00 0.00 179.45 178.84 1qpw h GLU 9 N 0.75 0.46 -0.33 1.90 4.81 -1.32 -1.97 114.58 118.87 1qpw h GLU 9 Ca 0.20 -0.22 -0.14 0.00 -0.13 0.00 0.00 59.36 59.07 1qpw h GLU 9 Cb -0.05 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1qpw h GLU 9 CO -0.04 0.77 -0.34 0.00 -0.73 0.00 0.00 179.01 178.67 1qpw h ALA 10 N 1.21 0.77 0.10 2.92 0.00 -0.73 -0.22 119.26 123.32 1qpw h ALA 10 Ca 0.04 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1qpw h ALA 10 Cb 0.84 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1qpw h ALA 10 CO 0.07 0.65 -0.05 0.28 0.00 0.00 0.00 179.25 180.20 1qpw h VAL 11 N 0.62 1.12 0.00 0.00 2.07 -0.99 -1.29 116.25 117.78 1qpw h VAL 11 Ca 0.06 -1.07 -0.11 0.00 0.82 0.00 0.00 66.70 66.40 1qpw h VAL 11 Cb 0.88 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1qpw h VAL 11 CO 0.08 0.25 -0.52 -0.07 0.02 0.00 0.00 177.57 177.33 1qpw h LEU 12 N -0.66 0.00 -0.15 2.57 3.38 -1.40 -0.84 115.31 118.21 1qpw h LEU 12 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1qpw h LEU 12 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1qpw h LEU 12 CO 0.02 0.52 -0.00 1.23 0.09 0.00 0.00 178.44 180.30 1qpw h GLY 13 N 1.66 0.29 0.81 0.83 0.00 -1.02 -2.89 103.07 102.76 1qpw h GLY 13 Ca -0.01 -0.22 0.04 0.00 0.00 0.00 0.00 47.33 47.15 1qpw h GLY 13 CO 0.07 0.20 0.47 -2.00 0.00 0.00 0.00 176.54 175.28 1qpw h LEU 14 N 0.01 0.75 -1.26 3.11 7.12 -1.07 -3.16 115.31 120.81 1qpw h LEU 14 Ca 0.04 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.06 1qpw h LEU 14 Cb 0.38 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.36 1qpw h LEU 14 CO 0.01 0.51 0.00 -0.25 -0.13 0.00 0.00 178.44 178.58 1qpw h TRP 15 N 0.89 0.00 0.00 1.25 2.91 -0.94 -2.40 115.95 117.66 1qpw h TRP 15 Ca 0.31 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.33 1qpw h TRP 15 Cb 0.07 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.72 1qpw h TRP 15 CO -0.04 0.00 0.00 0.78 -1.03 0.00 0.00 178.44 178.15 1qpw h GLY 16 N 1.93 0.00 1.39 2.65 0.00 -1.49 -3.05 103.07 104.50 1qpw h GLY 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qpw h GLY 16 CO 0.00 0.00 -0.33 0.28 0.00 0.00 0.00 176.54 176.49 1qpw n LYS 17 N -2.44 0.04 -2.78 4.80 5.02 -0.90 -4.91 118.16 117.00 1qpw n LYS 17 Ca 0.04 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 1qpw n LYS 17 Cb 0.38 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 1qpw n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1qpw s VAL 18 N -3.02 4.77 -0.68 -0.18 1.01 -1.16 -5.00 120.40 116.14 1qpw s VAL 18 Ca 0.11 1.79 -0.27 0.00 0.00 0.00 0.00 61.98 63.62 1qpw s VAL 18 Cb 0.17 -4.21 0.03 0.00 0.00 0.00 0.00 36.38 32.38 1qpw s VAL 18 CO 0.64 -0.11 1.22 0.21 0.00 0.00 0.00 175.10 177.06 1qpw s ASN 19 N 1.25 6.25 0.17 3.32 3.84 -1.26 -4.86 114.94 123.66 1qpw s ASN 19 Ca 0.40 -0.33 -0.13 0.00 0.21 0.00 0.00 52.86 53.01 1qpw s ASN 19 Cb -0.15 -2.54 0.08 0.00 -0.55 0.00 0.00 41.25 38.08 1qpw s ASN 19 CO 0.08 -1.68 1.79 0.58 -2.79 0.00 0.00 177.10 175.07 1qpw h VAL 20 N 6.06 1.19 -0.59 -5.21 2.07 -1.95 -0.01 116.25 117.82 1qpw h VAL 20 Ca -0.27 -0.48 -0.34 0.00 0.82 0.00 0.00 66.70 66.42 1qpw h VAL 20 Cb 1.05 0.45 -0.13 0.00 -1.52 0.00 0.00 31.29 31.15 1qpw h VAL 20 CO 1.24 0.21 0.18 -0.90 0.02 0.00 0.00 177.57 178.31 1qpw n ASP 21 N -4.59 6.09 0.00 0.57 3.85 -1.26 -2.44 116.55 118.77 1qpw n ASP 21 Ca 0.04 -2.93 0.00 0.00 -0.71 0.00 0.00 54.79 51.18 1qpw n ASP 21 Cb 0.09 -1.23 0.00 0.00 -1.35 0.00 0.00 41.12 38.63 1qpw n ASP 21 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1qpw n GLU 22 N 1.19 0.00 -0.07 0.11 4.07 -0.69 -4.94 120.64 120.32 1qpw n GLU 22 Ca 0.39 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.39 1qpw n GLU 22 Cb 0.64 -0.02 -0.03 0.00 -0.06 0.00 0.00 31.44 31.97 1qpw n GLU 22 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1qpw h VAL 23 N 0.00 1.09 -0.49 6.31 2.07 -0.94 -2.52 116.25 121.77 1qpw h VAL 23 Ca 0.00 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1qpw h VAL 23 Cb 0.00 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1qpw h VAL 23 CO 0.00 0.08 0.14 1.23 0.02 0.00 0.00 177.57 179.05 1qpw h GLY 24 N 0.32 0.78 0.90 2.17 0.00 -1.69 0.33 103.07 105.88 1qpw h GLY 24 Ca 0.09 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 1qpw h GLY 24 CO -0.02 0.39 -0.29 -1.33 0.00 0.00 0.00 176.54 175.30 1qpw h GLY 25 N 0.89 0.65 1.70 4.60 0.00 -1.72 -1.66 103.07 107.53 1qpw h GLY 25 Ca 0.16 -0.70 -0.14 0.00 0.00 0.00 0.00 47.33 46.66 1qpw h GLY 25 CO -0.01 0.63 -0.52 -2.09 0.00 0.00 0.00 176.54 174.56 1qpw h GLU 26 N 0.29 0.32 -0.10 4.80 4.81 -1.17 -2.59 114.58 120.95 1qpw h GLU 26 Ca 0.03 -0.19 -0.22 0.00 -0.13 0.00 0.00 59.36 58.84 1qpw h GLU 26 Cb 0.86 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.27 1qpw h GLU 26 CO 0.07 0.76 -0.83 0.00 -0.73 0.00 0.00 179.01 178.29 1qpw h ALA 27 N 1.20 0.35 -0.08 2.92 0.00 -0.82 -2.72 119.26 120.11 1qpw h ALA 27 Ca 0.01 -0.63 -0.21 0.00 0.00 0.00 0.00 54.91 54.08 1qpw h ALA 27 Cb 1.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1qpw h ALA 27 CO 0.08 0.71 -0.82 1.25 0.00 0.00 0.00 179.25 180.48 1qpw h LEU 28 N 0.44 0.66 -0.97 0.00 5.85 -1.32 -2.55 115.31 117.41 1qpw h LEU 28 Ca -0.06 -0.46 -0.06 0.00 0.84 0.00 0.00 57.88 58.14 1qpw h LEU 28 Cb 1.45 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1qpw h LEU 28 CO 0.16 1.23 0.09 1.23 -0.34 0.00 0.00 178.44 180.82 1qpw h GLY 29 N 1.00 0.91 1.95 3.75 0.00 -1.54 -2.57 103.07 106.58 1qpw h GLY 29 Ca -0.06 -0.55 -0.12 0.00 0.00 0.00 0.00 47.33 46.60 1qpw h GLY 29 CO 0.15 0.52 -0.56 3.21 0.00 0.00 0.00 176.54 179.86 1qpw h ARG 30 N 0.81 0.05 -0.10 4.80 3.08 -1.50 0.10 114.38 121.62 1qpw h ARG 30 Ca 0.17 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1qpw h ARG 30 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1qpw h ARG 30 CO 0.01 0.60 0.05 1.25 -1.07 0.00 0.00 179.97 180.80 1qpw h LEU 31 N 0.04 0.14 -1.28 3.04 5.85 -1.32 0.14 115.31 121.92 1qpw h LEU 31 Ca -0.00 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 1qpw h LEU 31 Cb 1.00 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1qpw h LEU 31 CO 0.08 0.23 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.18 1qpw h LEU 32 N 0.03 0.28 0.01 2.25 4.07 -1.13 0.12 115.31 120.95 1qpw h LEU 32 Ca 0.04 -0.07 -0.00 0.00 0.08 0.00 0.00 57.88 57.93 1qpw h LEU 32 Cb 0.13 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1qpw h LEU 32 CO -0.00 0.47 -0.00 0.58 -1.08 0.00 0.00 178.44 178.40 1qpw h VAL 33 N 0.28 1.54 0.00 1.22 2.07 -0.65 -3.34 116.25 117.36 1qpw h VAL 33 Ca 0.05 -2.00 -0.14 0.00 0.82 0.00 0.00 66.70 65.44 1qpw h VAL 33 Cb 0.45 2.83 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 1qpw h VAL 33 CO 0.03 0.49 -0.66 0.58 0.02 0.00 0.00 177.57 178.03 1qpw h VAL 34 N -0.92 1.40 -2.62 2.57 2.07 -0.68 -3.39 116.25 114.68 1qpw h VAL 34 Ca -0.00 -2.34 -0.60 0.00 0.82 0.00 0.00 66.70 64.58 1qpw h VAL 34 Cb 0.82 2.29 -0.39 0.00 -1.52 0.00 0.00 31.29 32.48 1qpw h VAL 34 CO 0.00 0.65 -0.84 -0.31 0.02 0.00 0.00 177.57 177.09 1qpw s TYR 35 N -3.37 1.81 0.52 1.57 2.02 0.40 -5.00 117.35 115.30 1qpw s TYR 35 Ca -0.00 -2.58 0.25 0.00 -0.37 0.00 0.00 57.07 54.37 1qpw s TYR 35 Cb 0.12 -1.47 1.37 0.00 -0.40 0.00 0.00 41.96 41.57 1qpw s TYR 35 CO 0.76 -0.75 1.97 -1.35 -1.57 0.00 0.00 175.55 174.62 1qpw h PRO 36 N 5.72 0.04 0.00 -1.71 0.11 -1.76 0.47 132.00 134.86 1qpw h PRO 36 Ca 0.20 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 1qpw h PRO 36 Cb 0.87 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1qpw h PRO 36 CO 0.47 0.03 -0.02 0.11 -0.21 0.00 0.00 178.00 178.38 1qpw h TRP 37 N 0.04 0.00 0.00 0.65 0.09 -1.93 -0.77 115.95 114.03 1qpw h TRP 37 Ca 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 59.26 1qpw h TRP 37 Cb 1.10 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 30.34 1qpw h TRP 37 CO -0.00 0.02 -0.04 1.79 0.09 0.00 0.00 178.44 180.29 1qpw h THR 38 N 0.00 0.15 -0.84 0.12 1.35 -1.23 -3.05 112.91 109.40 1qpw h THR 38 Ca -0.00 -0.50 0.09 0.00 -0.55 0.00 0.00 66.41 65.45 1qpw h THR 38 Cb 0.07 1.43 -0.06 0.00 -1.73 0.00 0.00 68.15 67.86 1qpw h THR 38 CO 0.00 0.04 0.55 1.56 -0.25 0.00 0.00 175.52 177.42 1qpw h GLN 39 N 0.00 0.80 -1.12 4.72 4.20 -1.33 -1.05 115.11 121.33 1qpw h GLN 39 Ca -0.00 -0.05 0.34 0.00 0.06 0.00 0.00 58.65 59.00 1qpw h GLN 39 Cb 0.43 -0.18 -0.12 0.00 0.30 0.00 0.00 27.48 27.91 1qpw h GLN 39 CO 0.01 0.53 0.69 -0.09 -0.67 0.00 0.00 178.83 179.30 1qpw h ARG 40 N 0.82 0.27 -0.00 1.46 2.43 -1.71 -1.14 114.38 116.52 1qpw h ARG 40 Ca 0.39 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1qpw h ARG 40 Cb 0.41 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1qpw h ARG 40 CO -0.16 0.18 -0.25 1.19 -1.51 0.00 0.00 179.97 179.42 1qpw n PHE 41 N -4.79 0.00 -1.29 2.20 3.72 -0.40 -3.52 117.46 113.39 1qpw n PHE 41 Ca 0.31 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.79 1qpw n PHE 41 Cb 1.09 -0.30 0.14 0.00 -0.94 0.00 0.00 39.48 39.47 1qpw n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1qpw n PHE 42 N -1.33 0.00 0.41 1.38 3.72 -0.46 -4.79 117.46 116.39 1qpw n PHE 42 Ca 0.08 -1.03 0.13 0.00 -0.05 0.00 0.00 57.45 56.59 1qpw n PHE 42 Cb 0.33 -0.17 0.49 0.00 -0.94 0.00 0.00 39.48 39.19 1qpw n PHE 42 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1qpw h GLU 43 N 0.24 0.00 0.00 -1.08 4.11 -1.53 0.06 114.58 116.39 1qpw h GLU 43 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1qpw h GLU 43 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1qpw h GLU 43 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 179.01 179.51 1qpw n SER 44 N -2.50 0.00 -0.36 3.06 7.64 -1.26 -3.31 113.62 116.88 1qpw n SER 44 Ca 0.03 -0.17 0.13 0.00 1.01 0.00 0.00 58.87 59.87 1qpw n SER 44 Cb 0.32 -0.14 0.43 0.00 -1.01 0.00 0.00 64.21 63.81 1qpw n SER 44 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1qpw n PHE 45 N -1.14 0.00 0.00 1.43 3.01 0.01 -5.08 117.46 115.69 1qpw n PHE 45 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 1qpw n PHE 45 Cb 0.08 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 1qpw n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qpw n GLY 46 N 1.27 0.25 3.48 1.37 0.00 -1.21 -4.76 105.19 105.59 1qpw n GLY 46 Ca 0.15 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 1qpw n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qpw s ASP 47 N -4.00 6.48 -0.07 1.61 3.68 -1.26 -4.83 116.67 118.27 1qpw s ASP 47 Ca 0.00 -1.59 0.17 0.00 2.13 0.00 0.00 52.55 53.26 1qpw s ASP 47 Cb 0.00 -2.45 0.57 0.00 -1.45 0.00 0.00 42.92 39.59 1qpw s ASP 47 CO 0.00 -1.29 1.49 0.18 0.13 0.00 0.00 175.17 175.67 1qpw n LEU 48 N 7.50 4.01 -0.23 -1.34 4.77 -1.26 -3.98 117.00 126.47 1qpw n LEU 48 Ca 0.19 -2.31 0.00 0.00 -0.03 0.00 0.00 56.01 53.86 1qpw n LEU 48 Cb 0.49 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1qpw n LEU 48 CO 0.58 0.81 0.20 -1.54 -1.33 0.00 0.00 177.39 176.11 1qpw n SER 49 N 0.86 0.24 0.00 -1.43 3.41 -1.26 -4.63 113.62 110.81 1qpw n SER 49 Ca 0.21 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 1qpw n SER 49 Cb 0.71 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1qpw n SER 49 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1qpw n ASN 50 N -0.15 0.00 -0.33 4.04 6.94 -1.26 -5.02 115.26 119.47 1qpw n ASN 50 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 54.58 54.47 1qpw n ASN 50 Cb 0.06 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.40 1qpw n ASN 50 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1qpw n ALA 51 N -0.21 -0.51 0.32 -2.53 0.00 -1.26 0.11 120.51 116.42 1qpw n ALA 51 Ca 0.00 0.67 0.20 0.00 0.00 0.00 0.00 53.44 54.31 1qpw n ALA 51 Cb 0.00 -0.03 1.05 0.00 0.00 0.00 0.00 19.45 20.47 1qpw n ALA 51 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1qpw h ASP 52 N 0.00 0.00 0.65 0.00 3.45 -1.98 0.51 116.42 119.05 1qpw h ASP 52 Ca 0.13 0.00 -0.27 0.00 0.43 0.00 0.00 57.03 57.32 1qpw h ASP 52 Cb 0.32 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.06 1qpw h ASP 52 CO -0.74 0.00 -1.46 0.00 -1.57 0.00 0.00 179.24 175.47 1qpw h ALA 53 N 1.82 0.57 0.29 3.45 0.00 -0.61 -0.25 119.26 124.53 1qpw h ALA 53 Ca 0.01 -1.24 -0.01 0.00 0.00 0.00 0.00 54.91 53.67 1qpw h ALA 53 Cb 0.22 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1qpw h ALA 53 CO -0.00 1.42 -0.14 0.28 0.00 0.00 0.00 179.25 180.81 1qpw h VAL 54 N 0.01 0.11 -0.64 0.00 2.07 -0.80 -3.23 116.25 113.77 1qpw h VAL 54 Ca -0.19 -0.76 0.17 0.00 0.82 0.00 0.00 66.70 66.73 1qpw h VAL 54 Cb 1.93 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1qpw h VAL 54 CO 0.11 0.03 0.45 0.24 0.02 0.00 0.00 177.57 178.41 1qpw h MET 55 N -1.08 0.11 -0.59 1.57 2.07 -1.01 0.10 114.93 116.09 1qpw h MET 55 Ca -0.04 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 1qpw h MET 55 Cb 0.35 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.05 1qpw h MET 55 CO 0.07 0.07 0.00 0.41 1.07 0.00 0.00 176.91 178.53 1qpw n GLY 56 N -1.62 1.86 3.66 8.32 0.00 -0.10 -4.97 105.19 112.34 1qpw n GLY 56 Ca 0.12 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 1qpw n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qpw s ASN 57 N -0.84 6.72 0.19 1.61 3.84 0.35 -4.95 114.94 121.86 1qpw s ASN 57 Ca 0.37 0.88 -0.13 0.00 0.21 0.00 0.00 52.86 54.18 1qpw s ASN 57 Cb 0.22 -2.36 0.20 0.00 -0.55 0.00 0.00 41.25 38.76 1qpw s ASN 57 CO 0.20 -0.29 1.69 -0.65 -2.79 0.00 0.00 177.10 175.25 1qpw h PRO 58 N 7.47 0.13 0.00 0.43 0.11 -1.91 0.10 132.00 138.32 1qpw h PRO 58 Ca -0.31 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.75 1qpw h PRO 58 Cb 1.14 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1qpw h PRO 58 CO 0.78 0.08 -0.21 0.87 -0.21 0.00 0.00 178.00 179.31 1qpw h LYS 59 N 0.13 0.00 -0.16 1.05 6.56 -1.92 -1.11 116.57 121.12 1qpw h LYS 59 Ca 0.25 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.72 1qpw h LYS 59 Cb 0.38 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 1qpw h LYS 59 CO -0.41 0.21 -0.37 0.28 -2.06 0.00 0.00 179.45 177.10 1qpw h VAL 60 N 0.00 1.35 -0.11 0.50 2.07 -1.16 -0.96 116.25 117.93 1qpw h VAL 60 Ca -0.00 -1.64 -0.02 0.00 0.82 0.00 0.00 66.70 65.87 1qpw h VAL 60 Cb 0.84 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1qpw h VAL 60 CO 0.03 0.50 0.01 0.11 0.02 0.00 0.00 177.57 178.24 1qpw h LYS 61 N 0.17 0.19 -0.69 1.57 1.57 -0.94 -0.76 116.57 117.68 1qpw h LYS 61 Ca -0.00 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1qpw h LYS 61 Cb 0.98 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 1qpw h LYS 61 CO 0.08 0.41 0.20 0.00 -0.57 0.00 0.00 179.45 179.57 1qpw h ALA 62 N 0.77 0.90 0.00 3.86 0.00 -1.27 -2.34 119.26 121.19 1qpw h ALA 62 Ca 0.03 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1qpw h ALA 62 Cb 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1qpw h ALA 62 CO 0.00 0.59 -0.39 1.25 0.00 0.00 0.00 179.25 180.71 1qpw h HIS 63 N 1.02 0.00 -0.16 0.00 -0.00 -0.98 -2.76 115.15 112.26 1qpw h HIS 63 Ca 0.22 0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.47 1qpw h HIS 63 Cb 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.72 1qpw h HIS 63 CO 0.02 0.39 -0.43 0.78 -0.00 0.00 0.00 177.93 178.70 1qpw h GLY 64 N 2.40 0.41 0.96 5.26 0.00 -0.73 -1.85 103.07 109.52 1qpw h GLY 64 Ca -0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1qpw h GLY 64 CO 0.05 0.37 0.17 1.70 0.00 0.00 0.00 176.54 178.82 1qpw h LYS 65 N 0.31 0.40 -0.43 4.80 3.64 -1.15 -0.43 116.57 123.72 1qpw h LYS 65 Ca 0.02 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1qpw h LYS 65 Cb 0.88 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 1qpw h LYS 65 CO 0.07 0.33 0.22 0.87 -2.27 0.00 0.00 179.45 178.68 1qpw h LYS 66 N 0.36 0.43 0.34 1.90 1.57 -1.36 -0.60 116.57 119.22 1qpw h LYS 66 Ca 0.10 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1qpw h LYS 66 Cb 0.04 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1qpw h LYS 66 CO -0.02 0.29 -0.19 0.28 -0.57 0.00 0.00 179.45 179.24 1qpw h VAL 67 N 0.45 0.61 0.00 0.50 2.07 -0.77 -2.31 116.25 116.80 1qpw h VAL 67 Ca 0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1qpw h VAL 67 Cb 0.08 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1qpw h VAL 67 CO -0.12 0.00 0.00 0.25 0.02 0.00 0.00 177.57 177.72 1qpw h LEU 68 N -0.49 0.00 -0.17 2.57 5.85 -0.87 -2.56 115.31 119.64 1qpw h LEU 68 Ca -0.04 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1qpw h LEU 68 Cb 0.39 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1qpw h LEU 68 CO 0.06 0.00 -0.02 -0.61 -0.34 0.00 0.00 178.44 177.52 1qpw h GLN 69 N 0.00 0.32 -0.35 1.25 5.75 -0.76 -2.52 115.11 118.79 1qpw h GLN 69 Ca 0.00 -0.11 0.07 0.00 -0.15 0.00 0.00 58.65 58.46 1qpw h GLN 69 Cb 0.43 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 1qpw h GLN 69 CO 0.00 0.57 0.24 0.77 -2.65 0.00 0.00 178.83 177.76 1qpw h SER 70 N 0.04 0.16 0.27 -0.69 0.02 -1.01 -1.53 113.55 110.80 1qpw h SER 70 Ca 0.05 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1qpw h SER 70 Cb 0.44 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1qpw h SER 70 CO 0.01 0.10 -0.13 0.15 -1.14 0.00 0.00 176.83 175.82 1qpw h PHE 71 N 0.18 -0.34 -0.59 3.45 3.04 -1.46 -2.27 116.94 118.94 1qpw h PHE 71 Ca 0.16 -0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.22 1qpw h PHE 71 Cb 0.41 0.11 -0.11 0.00 2.56 0.00 0.00 35.95 38.92 1qpw h PHE 71 CO -0.00 0.00 -0.09 0.77 -2.02 0.00 0.00 178.31 176.97 1qpw h SER 72 N -0.74 -0.44 -0.30 0.41 0.02 -0.89 0.12 113.55 111.72 1qpw h SER 72 Ca -0.04 0.17 0.06 0.00 -0.84 0.00 0.00 61.79 61.14 1qpw h SER 72 Cb 0.49 0.33 -0.05 0.00 0.14 0.00 0.00 62.40 63.31 1qpw h SER 72 CO 0.06 -0.17 -0.05 0.44 -1.14 0.00 0.00 176.83 175.98 1qpw h ASP 73 N 0.04 -0.22 0.29 3.07 5.19 -1.35 -0.81 116.42 122.62 1qpw h ASP 73 Ca 0.30 0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.76 1qpw h ASP 73 Cb 0.47 0.17 -0.00 0.00 0.18 0.00 0.00 39.33 40.14 1qpw h ASP 73 CO -0.57 -0.08 -0.12 1.23 -3.12 0.00 0.00 179.24 176.58 1qpw h GLY 74 N 0.03 0.00 1.75 2.75 0.00 -0.62 -1.22 103.07 105.77 1qpw h GLY 74 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.35 1qpw h GLY 74 CO -0.29 0.00 -0.47 1.41 0.00 0.00 0.00 176.54 177.19 1qpw h LEU 75 N 0.00 0.29 -3.17 3.11 3.38 0.70 -2.49 115.31 117.12 1qpw h LEU 75 Ca -0.00 -0.13 -0.23 0.00 0.09 0.00 0.00 57.88 57.61 1qpw h LEU 75 Cb 0.30 -0.08 -0.14 0.00 0.09 0.00 0.00 40.66 40.83 1qpw h LEU 75 CO 0.02 0.72 0.29 2.29 0.09 0.00 0.00 178.44 181.85 1qpw n LYS 76 N -3.97 2.56 -2.08 1.13 2.85 -0.46 -3.86 118.16 114.32 1qpw n LYS 76 Ca -0.02 -2.14 0.00 0.00 -1.05 0.00 0.00 58.31 55.11 1qpw n LYS 76 Cb 0.53 -1.90 0.03 0.00 -0.65 0.00 0.00 35.03 33.04 1qpw n LYS 76 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1qpw n HIS 77 N -0.25 0.20 -0.06 5.58 8.25 -0.95 -4.97 115.22 123.02 1qpw n HIS 77 Ca 0.33 -1.27 0.25 0.00 -0.26 0.00 0.00 57.72 56.77 1qpw n HIS 77 Cb 1.17 0.13 0.72 0.00 1.12 0.00 0.00 29.99 33.13 1qpw n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1qpw h LEU 78 N 1.47 0.00 -0.19 2.41 4.07 -1.64 0.21 115.31 121.65 1qpw h LEU 78 Ca -0.27 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.67 1qpw h LEU 78 Cb 1.53 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.26 1qpw h LEU 78 CO 0.04 0.00 -0.11 -2.24 -1.08 0.00 0.00 178.44 175.05 1qpw h ASP 79 N 0.00 0.00 -2.15 -0.43 2.03 -1.91 -3.33 116.42 110.64 1qpw h ASP 79 Ca 0.32 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 56.06 1qpw h ASP 79 Cb 1.44 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 39.53 1qpw h ASP 79 CO -0.00 0.11 -0.84 -3.20 -1.03 0.00 0.00 179.24 174.28 1qpw n ASN 80 N -3.14 2.71 -0.02 4.15 5.15 0.73 -4.91 115.26 119.94 1qpw n ASN 80 Ca 0.03 -3.30 -0.16 0.00 -0.60 0.00 0.00 54.58 50.55 1qpw n ASN 80 Cb 0.55 -0.62 -0.10 0.00 -0.53 0.00 0.00 39.78 39.09 1qpw n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1qpw h LEU 81 N 3.46 0.57 0.12 1.20 3.38 -1.70 -2.17 115.31 120.18 1qpw h LEU 81 Ca 0.13 -0.69 0.02 0.00 0.09 0.00 0.00 57.88 57.43 1qpw h LEU 81 Cb 0.72 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1qpw h LEU 81 CO 0.69 1.17 -0.28 0.11 0.09 0.00 0.00 178.44 180.22 1qpw h LYS 82 N 0.01 -0.48 -0.47 1.13 6.56 -1.90 -0.90 116.57 120.53 1qpw h LYS 82 Ca -0.05 0.03 -0.06 0.00 -1.06 0.00 0.00 60.65 59.51 1qpw h LYS 82 Cb 1.20 0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 32.95 1qpw h LYS 82 CO 0.11 -0.32 0.04 0.78 -2.06 0.00 0.00 179.45 178.00 1qpw h GLY 83 N -0.50 0.81 1.92 3.86 0.00 -1.95 0.16 103.07 107.37 1qpw h GLY 83 Ca 0.03 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 1qpw h GLY 83 CO -0.16 0.47 -0.35 -0.84 0.00 0.00 0.00 176.54 175.66 1qpw h THR 84 N 0.71 1.27 -0.71 4.70 2.02 -1.01 -3.18 112.91 116.71 1qpw h THR 84 Ca 0.15 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 66.06 1qpw h THR 84 Cb 0.37 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1qpw h THR 84 CO 0.01 0.37 0.00 0.49 0.37 0.00 0.00 175.52 176.76 1qpw n PHE 85 N -4.11 1.26 -0.10 3.16 3.72 -0.24 -4.69 117.46 116.46 1qpw n PHE 85 Ca -0.02 -0.55 -0.09 0.00 -0.05 0.00 0.00 57.45 56.74 1qpw n PHE 85 Cb 0.40 -0.12 -0.02 0.00 -0.94 0.00 0.00 39.48 38.80 1qpw n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qpw h ALA 86 N 4.28 0.40 -0.26 4.37 0.00 -0.75 -1.33 119.26 125.98 1qpw h ALA 86 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1qpw h ALA 86 Cb 1.23 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1qpw h ALA 86 CO 0.12 -0.07 0.02 0.87 0.00 0.00 0.00 179.25 180.18 1qpw h LYS 87 N 0.39 0.45 -0.10 0.00 1.79 -1.85 -2.02 116.57 115.24 1qpw h LYS 87 Ca 0.11 -0.13 0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1qpw h LYS 87 Cb 0.05 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 1qpw h LYS 87 CO -0.02 0.60 0.07 1.25 -1.08 0.00 0.00 179.45 180.27 1qpw h LEU 88 N 0.25 0.09 -0.46 2.94 5.85 -1.86 -1.39 115.31 120.73 1qpw h LEU 88 Ca 0.08 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 1qpw h LEU 88 Cb 0.38 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1qpw h LEU 88 CO 0.01 0.07 -0.37 0.28 -0.34 0.00 0.00 178.44 178.09 1qpw h SER 89 N 0.11 0.00 -0.17 1.25 0.02 -0.51 -2.12 113.55 112.14 1qpw h SER 89 Ca 0.04 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.86 1qpw h SER 89 Cb 0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1qpw h SER 89 CO -0.01 0.37 -0.36 -0.33 -1.14 0.00 0.00 176.83 175.36 1qpw h GLU 90 N 0.00 0.68 0.53 3.45 5.08 -0.93 -0.58 114.58 122.82 1qpw h GLU 90 Ca -0.00 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.00 1qpw h GLU 90 Cb 1.10 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.36 1qpw h GLU 90 CO 0.05 0.94 -0.26 1.25 -1.00 0.00 0.00 179.01 179.99 1qpw h LEU 91 N 0.57 -0.60 0.56 1.33 5.85 -1.10 -1.45 115.31 120.47 1qpw h LEU 91 Ca 0.06 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1qpw h LEU 91 Cb 0.88 0.16 0.01 0.00 0.37 0.00 0.00 40.66 42.07 1qpw h LEU 91 CO 0.08 -0.37 -0.27 0.45 -0.34 0.00 0.00 178.44 177.99 1qpw h HIS 92 N -0.80 -0.70 0.00 1.25 3.86 -1.40 0.69 115.15 118.05 1qpw h HIS 92 Ca -0.07 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1qpw h HIS 92 Cb 0.58 0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.29 1qpw h HIS 92 CO -0.02 -0.41 0.00 0.00 0.86 0.00 0.00 177.93 178.36 1qpw h ASP 94 N 0.00 0.44 0.04 0.00 3.32 -1.43 -1.15 116.42 117.65 1qpw h ASP 94 Ca 0.00 -0.21 -0.33 0.00 0.02 0.00 0.00 57.03 56.51 1qpw h ASP 94 Cb 0.00 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1qpw h ASP 94 CO 0.00 0.53 -1.83 1.67 -1.72 0.00 0.00 179.24 177.90 1qpw n GLN 95 N -4.69 0.64 0.04 3.56 7.27 -1.15 -4.48 117.38 118.57 1qpw n GLN 95 Ca -0.02 0.39 0.04 0.00 0.07 0.00 0.00 57.00 57.48 1qpw n GLN 95 Cb 0.17 -1.67 -0.08 0.00 2.41 0.00 0.00 30.24 31.07 1qpw n GLN 95 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1qpw n LEU 96 N -3.99 0.68 -3.67 1.69 4.77 0.22 -4.97 117.00 111.74 1qpw n LEU 96 Ca -0.37 0.29 -0.23 0.00 -0.03 0.00 0.00 56.01 55.67 1qpw n LEU 96 Cb 0.86 0.06 0.05 0.00 -2.33 0.00 0.00 43.42 42.06 1qpw n LEU 96 CO 0.24 0.05 0.07 1.41 -1.33 0.00 0.00 177.39 177.84 1qpw n HIS 97 N -2.73 -2.25 -2.95 -1.77 8.25 0.15 -4.97 115.22 108.95 1qpw n HIS 97 Ca -0.08 0.91 -0.41 0.00 -0.26 0.00 0.00 57.72 57.89 1qpw n HIS 97 Cb 0.74 -4.58 -0.04 0.00 1.12 0.00 0.00 29.99 27.23 1qpw n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1qpw s VAL 98 N -3.45 4.97 0.16 1.59 1.01 -1.02 -5.00 120.40 118.66 1qpw s VAL 98 Ca 0.26 1.59 -0.30 0.00 0.00 0.00 0.00 61.98 63.53 1qpw s VAL 98 Cb -0.12 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.07 1qpw s VAL 98 CO 0.78 0.16 1.24 -0.62 0.00 0.00 0.00 175.10 176.67 1qpw s ASP 99 N 0.96 7.02 0.58 3.32 -1.08 -1.26 -4.72 116.67 121.49 1qpw s ASP 99 Ca 0.40 2.24 0.38 0.00 -0.52 0.00 0.00 52.55 55.05 1qpw s ASP 99 Cb -0.18 -2.60 1.33 0.00 -1.46 0.00 0.00 42.92 40.01 1qpw s ASP 99 CO 0.18 -0.45 1.48 -0.65 0.52 0.00 0.00 175.17 176.24 1qpw h PRO 100 N 5.67 0.00 0.00 4.34 0.11 -1.96 -0.50 132.00 139.66 1qpw h PRO 100 Ca -0.44 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 1qpw h PRO 100 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1qpw h PRO 100 CO 0.77 0.00 -0.18 1.49 -0.21 0.00 0.00 178.00 179.87 1qpw h GLU 101 N 0.00 0.00 0.00 1.05 4.57 -2.00 -1.72 114.58 116.48 1qpw h GLU 101 Ca 0.67 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.85 1qpw h GLU 101 Cb 3.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.76 1qpw h GLU 101 CO -0.01 0.18 0.00 -0.91 -1.18 0.00 0.00 179.01 177.10 1qpw h ASN 102 N 0.00 0.00 -0.35 1.04 2.35 -1.45 -2.67 115.58 114.50 1qpw h ASN 102 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1qpw h ASN 102 Cb 0.34 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1qpw h ASN 102 CO 0.02 0.00 0.04 -0.26 -1.65 0.00 0.00 177.43 175.58 1qpw h PHE 103 N 0.00 0.63 -0.73 1.19 0.04 -1.48 -0.93 116.94 115.65 1qpw h PHE 103 Ca 0.00 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.66 1qpw h PHE 103 Cb 0.70 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.64 1qpw h PHE 103 CO 0.00 0.67 0.41 -0.09 -0.60 0.00 0.00 178.31 178.69 1qpw h ARG 104 N 0.42 1.02 -0.36 1.51 1.12 -1.59 -0.39 114.38 116.10 1qpw h ARG 104 Ca 0.10 -0.12 -0.11 0.00 -1.11 0.00 0.00 59.98 58.74 1qpw h ARG 104 Cb 0.39 -0.20 -0.01 0.00 -0.01 0.00 0.00 29.97 30.14 1qpw h ARG 104 CO 0.01 0.76 -0.21 -0.07 -3.11 0.00 0.00 179.97 177.34 1qpw h LEU 105 N 1.01 0.82 -1.04 3.80 3.38 -1.12 -1.99 115.31 120.18 1qpw h LEU 105 Ca 0.26 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 1qpw h LEU 105 Cb 0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1qpw h LEU 105 CO -0.04 1.06 -0.06 0.25 0.09 0.00 0.00 178.44 179.74 1qpw h LEU 106 N 0.58 0.60 -0.38 1.67 5.85 -1.05 -1.77 115.31 120.81 1qpw h LEU 106 Ca 0.08 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1qpw h LEU 106 Cb 0.77 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1qpw h LEU 106 CO 0.06 0.71 0.23 1.23 -0.34 0.00 0.00 178.44 180.33 1qpw h GLY 107 N 0.93 0.53 1.77 3.75 0.00 -0.72 -2.19 103.07 107.15 1qpw h GLY 107 Ca 0.11 -0.17 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 1qpw h GLY 107 CO 0.02 0.16 -0.56 3.43 0.00 0.00 0.00 176.54 179.59 1qpw h ASN 108 N 0.46 0.27 -0.48 0.19 2.35 -1.21 -2.21 115.58 114.95 1qpw h ASN 108 Ca 0.15 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 1qpw h ASN 108 Cb -0.00 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1qpw h ASN 108 CO -0.06 0.78 0.13 0.58 -1.65 0.00 0.00 177.43 177.20 1qpw h VAL 109 N 0.19 1.24 -0.83 2.81 2.07 -0.93 -0.34 116.25 120.46 1qpw h VAL 109 Ca -0.00 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 66.75 1qpw h VAL 109 Cb 1.04 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 1qpw h VAL 109 CO 0.09 0.29 0.54 0.40 0.02 0.00 0.00 177.57 178.91 1qpw h ILE 110 N 0.66 1.09 -0.18 4.57 2.04 -1.37 0.10 117.51 124.43 1qpw h ILE 110 Ca 0.15 -0.33 -0.11 0.00 1.00 0.00 0.00 64.86 65.57 1qpw h ILE 110 Cb 0.31 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1qpw h ILE 110 CO 0.00 0.18 -0.35 0.58 0.00 0.00 0.00 178.15 178.56 1qpw h VAL 111 N 0.97 1.29 -0.20 1.67 2.07 -0.64 -1.35 116.25 120.05 1qpw h VAL 111 Ca 0.34 -1.42 -0.18 0.00 0.82 0.00 0.00 66.70 66.26 1qpw h VAL 111 Cb 0.12 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1qpw h VAL 111 CO -0.11 0.44 -0.61 0.58 0.02 0.00 0.00 177.57 177.88 1qpw h VAL 112 N 0.32 1.30 -0.38 2.57 2.07 0.31 -2.46 116.25 119.99 1qpw h VAL 112 Ca 0.04 -1.85 -0.13 0.00 0.82 0.00 0.00 66.70 65.58 1qpw h VAL 112 Cb 0.77 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1qpw h VAL 112 CO 0.06 0.58 -0.28 0.58 0.02 0.00 0.00 177.57 178.53 1qpw h VAL 113 N 0.51 1.28 -0.59 2.57 2.07 -0.34 -1.44 116.25 120.31 1qpw h VAL 113 Ca -0.01 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 1qpw h VAL 113 Cb 1.20 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 1qpw h VAL 113 CO 0.12 0.48 0.31 -0.07 0.02 0.00 0.00 177.57 178.43 1qpw h LEU 114 N 0.69 0.74 -0.90 2.57 3.38 -1.24 0.71 115.31 121.27 1qpw h LEU 114 Ca 0.08 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1qpw h LEU 114 Cb 0.82 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1qpw h LEU 114 CO 0.07 0.63 -0.40 0.00 0.09 0.00 0.00 178.44 178.83 1qpw h ALA 115 N 1.14 1.06 -0.34 1.53 0.00 -1.16 -0.00 119.26 121.49 1qpw h ALA 115 Ca 0.21 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 1qpw h ALA 115 Cb 0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1qpw h ALA 115 CO -0.03 0.60 -0.45 -0.09 0.00 0.00 0.00 179.25 179.27 1qpw h ARG 116 N 0.27 0.89 0.04 0.00 2.43 -0.62 -1.18 114.38 116.21 1qpw h ARG 116 Ca 0.03 -0.51 -0.26 0.00 -0.81 0.00 0.00 59.98 58.43 1qpw h ARG 116 Cb 0.82 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.38 1qpw h ARG 116 CO 0.07 1.15 -1.32 0.00 -1.51 0.00 0.00 179.97 178.36 1qpw h ARG 117 N 0.71 0.08 0.00 0.20 3.08 -0.54 -3.40 114.38 114.52 1qpw h ARG 117 Ca 0.04 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1qpw h ARG 117 Cb 1.05 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1qpw h ARG 117 CO 0.11 0.93 -1.18 1.28 -1.07 0.00 0.00 179.97 180.03 1qpw n LEU 118 N -3.32 0.60 0.00 3.04 4.77 -0.04 -5.05 117.00 116.99 1qpw n LEU 118 Ca -0.09 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 1qpw n LEU 118 Cb 1.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 1qpw n LEU 118 CO 0.48 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1qpw n GLY 119 N 1.43 3.33 0.38 -0.72 0.00 -0.45 -2.31 105.19 106.85 1qpw n GLY 119 Ca 0.01 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.05 1qpw n GLY 119 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1qpw h HIS 120 N 0.00 0.50 0.00 1.61 -0.00 -1.97 -1.73 115.15 113.57 1qpw h HIS 120 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1qpw h HIS 120 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.25 1qpw h HIS 120 CO 0.00 0.20 0.00 -0.25 -0.00 0.00 0.00 177.93 177.88 1qpw n ASP 121 N -4.48 0.14 -3.69 3.26 10.43 -0.98 -3.30 116.55 117.93 1qpw n ASP 121 Ca 0.14 0.54 -0.37 0.00 2.57 0.00 0.00 54.79 57.67 1qpw n ASP 121 Cb 0.50 -0.57 -0.02 0.00 1.84 0.00 0.00 41.12 42.88 1qpw n ASP 121 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 1qpw n PHE 122 N -1.66 2.85 -1.68 1.24 7.35 -0.65 -4.93 117.46 119.98 1qpw n PHE 122 Ca 0.02 -3.10 -0.31 0.00 -0.76 0.00 0.00 57.45 53.31 1qpw n PHE 122 Cb 0.13 -1.00 0.05 0.00 0.35 0.00 0.00 39.48 39.02 1qpw n PHE 122 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1qpw s ASN 123 N -2.06 5.35 0.41 -2.13 2.20 -1.21 -4.73 114.94 112.76 1qpw s ASN 123 Ca 0.36 1.42 0.21 0.00 -0.94 0.00 0.00 52.86 53.91 1qpw s ASN 123 Cb 0.12 -2.28 1.18 0.00 -2.00 0.00 0.00 41.25 38.27 1qpw s ASN 123 CO 0.02 -1.44 1.73 -0.65 -2.94 0.00 0.00 177.10 173.82 1qpw h PRO 124 N -0.72 0.31 -0.02 3.55 0.11 -1.95 -0.21 132.00 133.07 1qpw h PRO 124 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1qpw h PRO 124 Cb 1.23 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1qpw h PRO 124 CO 0.60 0.20 -0.01 -0.44 -0.21 0.00 0.00 178.00 178.14 1qpw h ASP 125 N 0.32 0.04 -0.47 -2.05 5.19 -2.00 -1.77 116.42 115.69 1qpw h ASP 125 Ca 0.65 -0.42 0.01 0.00 -0.62 0.00 0.00 57.03 56.65 1qpw h ASP 125 Cb 1.76 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 41.24 1qpw h ASP 125 CO -0.33 0.45 0.31 0.58 -3.12 0.00 0.00 179.24 177.12 1qpw h VAL 126 N -0.36 1.11 -0.32 -1.35 2.07 -1.68 -2.07 116.25 113.64 1qpw h VAL 126 Ca 0.00 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.38 1qpw h VAL 126 Cb 0.43 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 1qpw h VAL 126 CO 0.00 0.11 -0.12 -0.61 0.02 0.00 0.00 177.57 176.98 1qpw h GLN 127 N 0.63 -0.05 -0.72 1.57 4.15 -1.08 1.00 115.11 120.60 1qpw h GLN 127 Ca 0.17 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 1qpw h GLN 127 Cb -0.06 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.60 1qpw h GLN 127 CO -0.04 -0.03 0.45 0.00 -1.93 0.00 0.00 178.83 177.27 1qpw h ALA 128 N 1.23 1.43 -0.29 3.38 0.00 -0.76 0.43 119.26 124.69 1qpw h ALA 128 Ca 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1qpw h ALA 128 Cb 0.30 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1qpw h ALA 128 CO -0.36 0.50 0.10 0.00 0.00 0.00 0.00 179.25 179.49 1qpw h ALA 129 N 1.51 0.38 0.00 0.00 0.00 -0.94 -2.99 119.26 117.21 1qpw h ALA 129 Ca 0.26 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1qpw h ALA 129 Cb -0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1qpw h ALA 129 CO -0.05 0.01 -0.36 0.35 0.00 0.00 0.00 179.25 179.20 1qpw h PHE 130 N 0.31 0.00 0.00 0.00 3.04 0.19 -2.55 116.94 117.93 1qpw h PHE 130 Ca 0.09 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.98 1qpw h PHE 130 Cb 0.23 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.73 1qpw h PHE 130 CO 0.00 0.36 -0.29 1.96 -2.02 0.00 0.00 178.31 178.32 1qpw h GLN 131 N 0.00 0.00 -0.42 1.11 1.08 -0.16 -2.14 115.11 114.58 1qpw h GLN 131 Ca -0.00 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.08 1qpw h GLN 131 Cb 0.96 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.38 1qpw h GLN 131 CO 0.05 0.29 -0.19 0.87 -0.95 0.00 0.00 178.83 178.89 1qpw h LYS 132 N 0.00 0.83 -0.34 1.46 1.57 -1.40 -1.44 116.57 117.25 1qpw h LYS 132 Ca -0.00 -0.32 -0.14 0.00 -1.87 0.00 0.00 60.65 58.32 1qpw h LYS 132 Cb 0.55 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1qpw h LYS 132 CO 0.04 0.95 -0.34 0.28 -0.57 0.00 0.00 179.45 179.81 1qpw h VAL 133 N 0.73 1.28 -0.02 0.50 2.07 -1.44 0.18 116.25 119.54 1qpw h VAL 133 Ca 0.11 -1.50 -0.19 0.00 0.82 0.00 0.00 66.70 65.94 1qpw h VAL 133 Cb 0.71 1.38 0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1qpw h VAL 133 CO 0.05 0.49 -0.71 0.58 0.02 0.00 0.00 177.57 178.01 1qpw h VAL 134 N 0.65 1.37 -0.90 2.57 2.07 -1.21 -0.72 116.25 120.08 1qpw h VAL 134 Ca 0.07 -2.08 0.09 0.00 0.82 0.00 0.00 66.70 65.60 1qpw h VAL 134 Cb 0.88 2.45 -0.07 0.00 -1.52 0.00 0.00 31.29 33.03 1qpw h VAL 134 CO 0.08 0.62 0.55 0.00 0.02 0.00 0.00 177.57 178.84 1qpw h ALA 135 N 0.37 1.30 -0.56 1.67 0.00 -1.15 -1.14 119.26 119.75 1qpw h ALA 135 Ca -0.08 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1qpw h ALA 135 Cb 1.39 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1qpw h ALA 135 CO 0.14 0.21 -0.06 0.78 0.00 0.00 0.00 179.25 180.33 1qpw h GLY 136 N 0.93 1.12 1.09 0.00 0.00 -0.64 -0.88 103.07 104.70 1qpw h GLY 136 Ca 0.42 -0.87 -0.13 0.00 0.00 0.00 0.00 47.33 46.76 1qpw h GLY 136 CO -0.23 0.80 -0.19 -2.08 0.00 0.00 0.00 176.54 174.84 1qpw h VAL 137 N 0.92 1.27 0.53 4.60 2.07 -0.93 0.46 116.25 125.17 1qpw h VAL 137 Ca 0.15 -1.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 1qpw h VAL 137 Cb 0.62 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1qpw h VAL 137 CO 0.04 0.47 -0.31 0.00 0.02 0.00 0.00 177.57 177.79 1qpw h ALA 138 N 0.87 -0.79 -0.73 1.67 0.00 -0.94 0.43 119.26 119.77 1qpw h ALA 138 Ca 0.11 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.01 1qpw h ALA 138 Cb 0.76 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1qpw h ALA 138 CO 0.06 -0.96 0.49 -0.91 0.00 0.00 0.00 179.25 177.94 1qpw h ASN 139 N -0.79 0.38 -0.18 0.00 4.21 -1.13 -2.44 115.58 115.63 1qpw h ASN 139 Ca -0.06 0.02 -0.19 0.00 1.21 0.00 0.00 56.30 57.28 1qpw h ASN 139 Cb 0.63 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.78 1qpw h ASN 139 CO 0.08 0.20 -0.60 0.00 -1.29 0.00 0.00 177.43 175.82 1qpw h ALA 140 N 1.65 0.48 0.00 -0.83 0.00 -0.17 -1.92 119.26 118.47 1qpw h ALA 140 Ca 0.36 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1qpw h ALA 140 Cb 0.81 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1qpw h ALA 140 CO -0.11 0.69 0.00 1.28 0.00 0.00 0.00 179.25 181.11 1qpw n LEU 141 N -3.98 0.07 -0.76 0.00 4.77 0.08 -3.00 117.00 114.17 1qpw n LEU 141 Ca -0.05 0.51 0.09 0.00 -0.03 0.00 0.00 56.01 56.53 1qpw n LEU 141 Cb 0.65 -0.50 0.10 0.00 -2.33 0.00 0.00 43.42 41.34 1qpw n LEU 141 CO 0.50 -0.18 0.56 0.00 -1.33 0.00 0.00 177.39 176.94 1qpw n ALA 142 N -1.53 2.44 -0.04 -1.18 0.00 -0.96 -4.42 120.51 114.82 1qpw n ALA 142 Ca 0.05 -0.73 -0.02 0.00 0.00 0.00 0.00 53.44 52.73 1qpw n ALA 142 Cb 0.24 -0.62 0.23 0.00 0.00 0.00 0.00 19.45 19.31 1qpw n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1qpw h HIS 143 N 3.46 0.65 -0.16 0.00 6.17 -1.26 -3.08 115.15 120.93 1qpw h HIS 143 Ca 0.00 -0.08 0.00 0.00 0.71 0.00 0.00 60.37 61.00 1qpw h HIS 143 Cb 0.76 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 30.51 1qpw h HIS 143 CO 0.06 0.64 0.00 1.63 0.71 0.00 0.00 177.93 180.97 1qpw n LYS 144 N -4.23 1.83 -2.12 5.26 4.01 -1.26 -4.84 118.16 116.81 1qpw n LYS 144 Ca 0.02 -0.78 -0.35 0.00 -0.51 0.00 0.00 58.31 56.69 1qpw n LYS 144 Cb 0.29 -1.52 -0.04 0.00 -0.51 0.00 0.00 35.03 33.25 1qpw n LYS 144 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1qpw s TYR 145 N -1.55 1.81 -2.00 2.13 1.51 -1.17 -4.79 117.35 113.29 1qpw s TYR 145 Ca 0.14 0.57 0.32 0.00 -1.01 0.00 0.00 57.07 57.09 1qpw s TYR 145 Cb 0.09 -4.16 1.90 0.00 -0.11 0.00 0.00 41.96 39.69 1qpw s TYR 145 CO 0.06 -2.10 2.22 -2.39 -1.11 0.00 0.00 175.55 172.23