#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wsf s SER 5 N 0.00 6.26 -0.79 2.55 0.01 -1.26 -4.93 113.70 115.55 2wsf s SER 5 Ca 0.00 2.39 -0.25 0.00 1.31 0.00 0.00 55.95 59.40 2wsf s SER 5 Cb 0.00 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.64 2wsf s SER 5 CO 0.00 -1.24 2.09 -0.76 0.41 0.00 0.00 173.24 173.74 2wsf s LEU 6 N 5.25 3.13 -0.13 2.44 1.02 -1.26 -4.75 118.68 124.39 2wsf s LEU 6 Ca 0.88 -0.16 -0.11 0.00 0.02 0.00 0.00 54.13 54.76 2wsf s LEU 6 Cb -0.38 -2.55 -0.09 0.00 0.02 0.00 0.00 46.19 43.19 2wsf s LEU 6 CO 0.38 -2.98 0.20 -0.37 0.02 0.00 0.00 176.35 173.61 2wsf h VAL 7 N 7.34 0.57 0.00 -1.59 -1.51 -2.02 -2.88 116.25 116.15 2wsf h VAL 7 Ca -0.02 -1.46 0.00 0.00 -1.23 0.00 0.00 66.70 63.99 2wsf h VAL 7 Cb 1.06 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 2wsf h VAL 7 CO 1.16 0.19 0.00 0.00 -1.23 0.00 0.00 177.57 177.69 2wsf n ILE 8 N -4.68 0.00 -0.01 7.19 0.13 -1.26 -2.24 119.36 118.49 2wsf n ILE 8 Ca -0.06 0.00 -0.12 0.00 -1.10 0.00 0.00 62.75 61.47 2wsf n ILE 8 Cb 0.22 -0.26 -0.06 0.00 -0.84 0.00 0.00 39.64 38.69 2wsf n ILE 8 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 2wsf h SER 9 N 0.01 0.12 0.08 9.51 4.64 -1.85 -3.30 113.55 122.76 2wsf h SER 9 Ca 0.00 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2wsf h SER 9 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2wsf h SER 9 CO 0.00 0.26 -1.88 0.18 -0.87 0.00 0.00 176.83 174.52 2wsf n LEU 10 N -4.93 0.11 0.16 5.97 4.77 -0.95 -2.68 117.00 119.45 2wsf n LEU 10 Ca -0.06 0.01 0.02 0.00 -0.03 0.00 0.00 56.01 55.95 2wsf n LEU 10 Cb 0.12 -0.01 0.24 0.00 -2.33 0.00 0.00 43.42 41.44 2wsf n LEU 10 CO 0.34 -0.01 0.58 -1.28 -1.33 0.00 0.00 177.39 175.69 2wsf h SER 11 N 0.00 0.00 0.01 -1.43 0.87 -1.75 1.28 113.55 112.53 2wsf h SER 11 Ca 0.00 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 2wsf h SER 11 Cb 0.98 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.89 2wsf h SER 11 CO 0.00 0.50 -0.44 0.74 -0.53 0.00 0.00 176.83 177.11 2wsf h THR 12 N 0.00 0.13 -0.00 2.23 2.02 -1.69 -3.11 112.91 112.49 2wsf h THR 12 Ca -0.01 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2wsf h THR 12 Cb 1.02 0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 2wsf h THR 12 CO 0.07 0.00 -0.27 1.23 0.37 0.00 0.00 175.52 176.92 2wsf h GLY 13 N -0.60 -0.41 1.41 2.16 0.00 -0.73 -1.39 103.07 103.50 2wsf h GLY 13 Ca 0.04 0.32 -0.14 0.00 0.00 0.00 0.00 47.33 47.55 2wsf h GLY 13 CO -0.32 -0.21 -0.39 -2.00 0.00 0.00 0.00 176.54 173.62 2wsf h LEU 14 N -0.41 0.69 -1.62 3.11 5.85 0.15 0.36 115.31 123.44 2wsf h LEU 14 Ca 0.06 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 2wsf h LEU 14 Cb 0.49 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2wsf h LEU 14 CO -0.23 1.01 0.01 -0.24 -0.34 0.00 0.00 178.44 178.65 2wsf n SER 15 N -4.04 2.10 0.14 1.25 2.88 -1.18 -0.81 113.62 113.97 2wsf n SER 15 Ca -0.02 -2.21 -0.08 0.00 -1.33 0.00 0.00 58.87 55.23 2wsf n SER 15 Cb 0.52 -0.54 -0.05 0.00 -0.75 0.00 0.00 64.21 63.39 2wsf n SER 15 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2wsf h LEU 16 N 0.85 -0.64 0.18 2.46 3.38 0.91 -3.41 115.31 119.05 2wsf h LEU 16 Ca 0.01 0.05 -0.32 0.00 0.09 0.00 0.00 57.88 57.72 2wsf h LEU 16 Cb 0.87 0.21 0.02 0.00 0.09 0.00 0.00 40.66 41.84 2wsf h LEU 16 CO 0.12 -0.31 -1.47 -0.26 0.09 0.00 0.00 178.44 176.60 2wsf h PHE 17 N -0.48 0.71 -0.08 1.13 0.04 -1.04 -3.30 116.94 113.93 2wsf h PHE 17 Ca -0.03 -0.52 0.00 0.00 2.80 0.00 0.00 57.97 60.22 2wsf h PHE 17 Cb 0.41 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.53 2wsf h PHE 17 CO -0.13 1.47 0.00 1.47 -0.60 0.00 0.00 178.31 180.52 2wsf n LEU 18 N -3.59 0.41 -0.11 1.54 -0.00 -1.18 -1.83 117.00 112.23 2wsf n LEU 18 Ca -0.16 -0.20 -0.13 0.00 -0.00 0.00 0.00 56.01 55.52 2wsf n LEU 18 Cb 1.07 -0.05 -0.13 0.00 -0.00 0.00 0.00 43.42 44.30 2wsf n LEU 18 CO 0.55 0.10 -1.21 0.61 -0.00 0.00 0.00 177.39 177.45 2wsf n GLY 19 N 0.62 -0.65 0.36 1.47 0.00 -1.25 -2.18 105.19 103.56 2wsf n GLY 19 Ca 0.03 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.88 2wsf n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wsf h ARG 20 N 0.00 0.00 0.05 1.61 2.47 -1.44 2.13 114.38 119.20 2wsf h ARG 20 Ca -0.53 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 57.95 2wsf h ARG 20 Cb 2.02 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 30.32 2wsf h ARG 20 CO -0.03 0.00 -1.10 0.74 0.56 0.00 0.00 179.97 180.15 2wsf h PHE 21 N 0.00 0.21 0.00 3.04 -1.00 -1.00 -3.33 116.94 114.85 2wsf h PHE 21 Ca 0.06 -0.15 0.00 0.00 2.81 0.00 0.00 57.97 60.69 2wsf h PHE 21 Cb 1.69 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 41.24 2wsf h PHE 21 CO 0.00 1.11 0.19 1.55 -1.61 0.00 0.00 178.31 179.55 2wsf n VAL 22 N -3.43 1.10 0.00 -0.55 3.14 0.72 -4.39 118.33 114.92 2wsf n VAL 22 Ca -0.03 0.60 0.00 0.00 -2.96 0.00 0.00 64.34 61.94 2wsf n VAL 22 Cb 0.97 -1.60 0.00 0.00 -1.06 0.00 0.00 33.84 32.15 2wsf n VAL 22 CO 0.00 0.00 0.00 0.33 -6.46 0.00 0.00 176.83 170.70 2wsf n PHE 23 N -1.65 0.00 -0.41 1.45 7.35 -1.20 -4.42 117.46 118.58 2wsf n PHE 23 Ca -0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2wsf n PHE 23 Cb 0.20 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.03 2wsf n PHE 23 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 2wsf n PHE 24 N 3.34 0.00 -0.20 -5.13 3.01 -1.26 -4.58 117.46 112.64 2wsf n PHE 24 Ca 0.00 -0.08 0.30 0.00 1.01 0.00 0.00 57.45 58.68 2wsf n PHE 24 Cb 0.00 -0.01 0.62 0.00 -0.01 0.00 0.00 39.48 40.08 2wsf n PHE 24 CO 0.00 0.00 0.00 -2.95 1.01 0.00 0.00 176.76 174.82 2wsf h ASN 25 N 0.00 0.00 0.00 4.37 -1.07 -1.91 -2.73 115.58 114.24 2wsf h ASN 25 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.30 2wsf h ASN 25 Cb 0.34 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.58 2wsf h ASN 25 CO 0.00 0.00 -0.67 -0.26 0.07 0.00 0.00 177.43 176.57 2wsf h PHE 26 N 0.00 0.00 -3.37 4.14 0.04 -1.85 -3.45 116.94 112.45 2wsf h PHE 26 Ca 0.47 0.00 -0.74 0.00 2.80 0.00 0.00 57.97 60.50 2wsf h PHE 26 Cb 2.40 0.00 -0.33 0.00 2.20 0.00 0.00 35.95 40.22 2wsf h PHE 26 CO 0.00 0.50 0.12 1.04 -0.60 0.00 0.00 178.31 179.36 2wsf n GLN 27 N -4.58 3.01 0.00 1.51 6.02 -1.03 -4.61 117.38 117.71 2wsf n GLN 27 Ca -0.14 -4.48 0.00 0.00 -0.01 0.00 0.00 57.00 52.37 2wsf n GLN 27 Cb 0.38 -2.46 0.00 0.00 1.02 0.00 0.00 30.24 29.18 2wsf n GLN 27 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2wsf n ARG 28 N 2.37 0.00 -0.42 -1.09 1.85 -1.26 -5.01 116.66 113.10 2wsf n ARG 28 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.08 2wsf n ARG 28 Cb 0.38 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.79 2wsf n ARG 28 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2wsf n GLU 29 N 0.00 0.00 -0.66 2.89 -0.58 -1.26 -5.18 120.64 115.85 2wsf n GLU 29 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 2wsf n GLU 29 Cb 0.00 0.00 0.25 0.00 -0.57 0.00 0.00 31.44 31.12 2wsf n GLU 29 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2wsf s ASN 30 N 0.83 0.42 0.29 1.62 6.03 -1.26 -4.87 114.94 118.00 2wsf s ASN 30 Ca 0.00 1.07 -0.05 0.00 -1.03 0.00 0.00 52.86 52.85 2wsf s ASN 30 Cb 0.00 -1.61 -0.05 0.00 -3.03 0.00 0.00 41.25 36.56 2wsf s ASN 30 CO 0.00 -4.49 -0.23 0.23 -2.03 0.00 0.00 177.10 170.59 2wsf n MET 31 N -5.06 0.00 -4.20 3.55 2.81 -1.26 -4.26 117.12 108.70 2wsf n MET 31 Ca 0.08 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.61 2wsf n MET 31 Cb 0.58 -0.31 -0.06 0.00 -0.71 0.00 0.00 33.22 32.72 2wsf n MET 31 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wsf n ALA 32 N -0.74 -1.19 -2.87 3.04 0.00 -1.26 0.30 120.51 117.79 2wsf n ALA 32 Ca -0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 2wsf n ALA 32 Cb 0.17 -2.55 -0.03 0.00 0.00 0.00 0.00 19.45 17.05 2wsf n ALA 32 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wsf n LYS 33 N -3.95 -0.97 -1.22 0.00 4.01 -1.26 -2.48 118.16 112.29 2wsf n LYS 33 Ca 0.09 0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 2wsf n LYS 33 Cb 0.47 -1.00 0.00 0.00 -0.51 0.00 0.00 35.03 33.99 2wsf n LYS 33 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wsf n GLN 34 N -1.87 0.00 -0.40 1.97 0.00 0.89 -4.36 117.38 113.61 2wsf n GLN 34 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 57.00 56.79 2wsf n GLN 34 Cb 0.17 -0.41 -0.04 0.00 0.00 0.00 0.00 30.24 29.97 2wsf n GLN 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2wsf n VAL 35 N 0.52 0.00 0.11 -0.39 0.31 -1.03 -4.77 118.33 113.08 2wsf n VAL 35 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 2wsf n VAL 35 Cb 0.00 -0.15 -0.03 0.00 -0.91 0.00 0.00 33.84 32.76 2wsf n VAL 35 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2wsf h PRO 36 N 3.10 -0.33 0.00 5.55 0.11 -1.76 -3.47 132.00 135.20 2wsf h PRO 36 Ca -0.02 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wsf h PRO 36 Cb 0.40 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2wsf h PRO 36 CO 0.37 -0.22 -0.28 0.39 -0.21 0.00 0.00 178.00 178.05 2wsf n GLU 37 N -4.33 3.21 0.00 1.05 -0.58 -1.26 -4.91 120.64 113.82 2wsf n GLU 37 Ca -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 2wsf n GLU 37 Cb 0.14 -0.64 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 2wsf n GLU 37 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2wsf n GLN 38 N -0.59 0.00 -4.07 3.49 6.02 -1.26 -3.90 117.38 117.07 2wsf n GLN 38 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.64 2wsf n GLN 38 Cb 0.05 -0.07 -0.09 0.00 1.02 0.00 0.00 30.24 31.15 2wsf n GLN 38 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2wsf s ASN 39 N -0.89 5.64 0.00 1.08 0.01 -1.26 -4.39 114.94 115.13 2wsf s ASN 39 Ca 0.00 0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.29 2wsf s ASN 39 Cb 0.00 -1.88 0.00 0.00 0.41 0.00 0.00 41.25 39.78 2wsf s ASN 39 CO 0.00 0.25 0.00 0.61 -1.51 0.00 0.00 177.10 176.45 2wsf n GLY 40 N 3.04 -2.46 2.76 0.66 0.00 -1.26 -5.07 105.19 102.85 2wsf n GLY 40 Ca -0.17 -1.46 -0.17 0.00 0.00 0.00 0.00 46.02 44.21 2wsf n GLY 40 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wsf s MET 41 N -2.83 0.38 0.21 1.61 -1.94 -1.25 -4.87 119.30 110.61 2wsf s MET 41 Ca 0.00 -0.27 -0.32 0.00 -1.71 0.00 0.00 55.69 53.39 2wsf s MET 41 Cb 0.00 -0.67 -0.13 0.00 2.01 0.00 0.00 34.83 36.04 2wsf s MET 41 CO 0.00 -1.06 1.54 -1.13 -0.01 0.00 0.00 175.02 174.36 2wsf n SER 42 N 5.12 3.22 -4.77 3.03 3.41 -1.25 -4.70 113.62 117.68 2wsf n SER 42 Ca 0.00 1.11 -0.39 0.00 -0.26 0.00 0.00 58.87 59.34 2wsf n SER 42 Cb 0.46 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 2wsf n SER 42 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2wsf s HIS 43 N 0.48 2.76 0.00 7.33 -3.43 -1.26 -1.07 115.29 120.10 2wsf s HIS 43 Ca 0.72 1.44 0.00 0.00 -0.80 0.00 0.00 55.06 56.42 2wsf s HIS 43 Cb -0.62 -3.61 0.00 0.00 -1.43 0.00 0.00 32.58 26.92 2wsf s HIS 43 CO 0.43 -2.05 0.00 1.19 -2.00 0.00 0.00 174.74 172.30 2wsf n PHE 44 N -0.18 0.00 -0.10 0.38 3.01 -1.26 -1.66 117.46 117.64 2wsf n PHE 44 Ca 0.05 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.41 2wsf n PHE 44 Cb 0.45 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.89 2wsf n PHE 44 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 2wsf h GLU 45 N 0.00 0.48 -0.76 -1.08 4.11 -1.98 -1.22 114.58 114.13 2wsf h GLU 45 Ca 0.00 -0.12 -0.03 0.00 0.07 0.00 0.00 59.36 59.28 2wsf h GLU 45 Cb 0.00 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 2wsf h GLU 45 CO 0.00 0.57 0.37 0.00 0.07 0.00 0.00 179.01 180.02 2wsf h ALA 46 N 0.89 0.98 0.00 1.06 0.00 -0.16 -0.83 119.26 121.20 2wsf h ALA 46 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2wsf h ALA 46 Cb 0.32 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2wsf h ALA 46 CO 0.00 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.21 2wsf n GLY 47 N -0.99 0.00 0.10 0.00 0.00 -0.59 -1.60 105.19 102.10 2wsf n GLY 47 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.10 2wsf n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wsf n ASP 48 N 0.00 1.05 0.00 1.61 10.43 -0.54 -4.67 116.55 124.44 2wsf n ASP 48 Ca 0.00 -1.03 0.00 0.00 2.57 0.00 0.00 54.79 56.33 2wsf n ASP 48 Cb 0.00 0.17 0.00 0.00 1.84 0.00 0.00 41.12 43.13 2wsf n ASP 48 CO 0.00 0.00 0.00 1.07 -1.07 0.00 0.00 177.20 177.20 2wsf n THR 49 N -0.05 0.00 0.00 -3.53 5.66 -0.33 -5.11 114.28 110.92 2wsf n THR 49 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 2wsf n THR 49 Cb 0.07 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 2wsf n THR 49 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 2wsf n ARG 50 N 0.00 2.62 -1.73 1.09 1.85 -1.13 -4.86 116.66 114.50 2wsf n ARG 50 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.47 2wsf n ARG 50 Cb 0.00 0.00 0.05 0.00 -1.05 0.00 0.00 32.46 31.46 2wsf n ARG 50 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wsf n ALA 51 N -3.00 1.39 -2.61 2.89 0.00 -1.26 -5.02 120.51 112.90 2wsf n ALA 51 Ca 0.00 0.08 -0.19 0.00 0.00 0.00 0.00 53.44 53.33 2wsf n ALA 51 Cb 0.00 -2.34 -0.12 0.00 0.00 0.00 0.00 19.45 16.99 2wsf n ALA 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2wsf s LYS 52 N -3.07 0.93 -0.29 0.00 0.00 -1.26 -5.14 119.74 110.92 2wsf s LYS 52 Ca 0.76 -1.08 0.04 0.00 0.00 0.00 0.00 55.97 55.69 2wsf s LYS 52 Cb -0.40 -0.93 0.19 0.00 0.00 0.00 0.00 37.83 36.68 2wsf s LYS 52 CO 0.46 0.20 0.55 -1.83 0.00 0.00 0.00 175.35 174.73 2wsf s GLU 53 N -2.09 0.53 0.00 1.78 -1.05 -1.26 -4.97 118.70 111.65 2wsf s GLU 53 Ca 0.03 0.51 0.01 0.00 -0.15 0.00 0.00 54.97 55.37 2wsf s GLU 53 Cb -0.08 0.16 0.05 0.00 -0.44 0.00 0.00 34.13 33.82 2wsf s GLU 53 CO 0.03 -1.00 0.99 0.98 0.95 0.00 0.00 175.26 177.20 2wsf n TYR 54 N 5.41 0.00 -3.36 4.83 9.36 -1.26 -3.85 117.16 128.29 2wsf n TYR 54 Ca 0.03 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.94 2wsf n TYR 54 Cb 0.53 -0.44 -0.06 0.00 -0.63 0.00 0.00 39.34 38.73 2wsf n TYR 54 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2wsf n VAL 55 N -1.44 3.11 -2.68 2.97 0.31 -1.26 -4.68 118.33 114.65 2wsf n VAL 55 Ca 0.00 -5.38 -0.05 0.00 -0.01 0.00 0.00 64.34 58.91 2wsf n VAL 55 Cb 0.01 -2.12 0.10 0.00 -0.91 0.00 0.00 33.84 30.92 2wsf n VAL 55 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2wsf n SER 56 N 1.12 -1.49 -2.18 4.52 2.88 -1.25 -5.03 113.62 112.19 2wsf n SER 56 Ca 0.28 -2.28 -0.27 0.00 -1.33 0.00 0.00 58.87 55.26 2wsf n SER 56 Cb 0.38 1.32 0.03 0.00 -0.75 0.00 0.00 64.21 65.19 2wsf n SER 56 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2wsf n LEU 57 N 0.34 5.48 0.00 2.46 0.00 -1.26 -4.94 117.00 119.07 2wsf n LEU 57 Ca -0.05 -4.75 0.00 0.00 0.00 0.00 0.00 56.01 51.21 2wsf n LEU 57 Cb 0.74 -0.50 0.00 0.00 0.00 0.00 0.00 43.42 43.66 2wsf n LEU 57 CO -0.07 2.01 0.00 0.18 0.00 0.00 0.00 177.39 179.51 2wsf n LEU 58 N -0.70 0.00 0.00 -1.96 4.77 -1.26 -4.78 117.00 113.07 2wsf n LEU 58 Ca 0.47 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 2wsf n LEU 58 Cb 0.84 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 2wsf n LEU 58 CO 0.46 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.81 2wsf n LYS 59 N 0.00 0.00 0.00 3.23 4.76 -1.26 -1.21 118.16 123.67 2wsf n LYS 59 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wsf n LYS 59 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2wsf n LYS 59 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2wsf n SER 60 N 0.00 0.40 -0.03 4.39 2.88 -1.26 -4.66 113.62 115.35 2wsf n SER 60 Ca 0.00 -1.11 0.02 0.00 -1.33 0.00 0.00 58.87 56.45 2wsf n SER 60 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 2wsf n SER 60 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2wsf n ASN 61 N -0.06 0.02 -0.10 -3.46 5.03 -0.35 -1.70 115.26 114.63 2wsf n ASN 61 Ca 0.00 0.13 -0.17 0.00 0.87 0.00 0.00 54.58 55.41 2wsf n ASN 61 Cb 0.28 -0.06 -0.06 0.00 -1.02 0.00 0.00 39.78 38.92 2wsf n ASN 61 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2wsf n ASP 62 N -3.36 1.84 0.00 6.41 8.00 -1.26 -4.39 116.55 123.80 2wsf n ASP 62 Ca 0.03 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.84 2wsf n ASP 62 Cb 0.09 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 2wsf n ASP 62 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2wsf n PRO 63 N -4.28 0.00 0.00 -0.24 -0.02 -0.69 -3.99 135.00 125.78 2wsf n PRO 63 Ca -0.30 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.19 2wsf n PRO 63 Cb 0.65 -0.87 0.00 0.00 -0.02 0.00 0.00 33.50 33.26 2wsf n PRO 63 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wsf n VAL 64 N -0.38 0.30 1.66 -1.45 0.31 -0.94 -1.97 118.33 115.85 2wsf n VAL 64 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.48 2wsf n VAL 64 Cb 0.00 -0.61 0.70 0.00 -0.91 0.00 0.00 33.84 33.02 2wsf n VAL 64 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wsf n GLY 65 N 0.24 -0.60 0.14 2.92 0.00 -1.22 -3.05 105.19 103.62 2wsf n GLY 65 Ca 0.00 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 2wsf n GLY 65 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2wsf h PHE 66 N 1.04 0.88 -0.87 1.61 3.57 -1.63 -3.39 116.94 118.14 2wsf h PHE 66 Ca 0.00 -0.63 0.35 0.00 3.53 0.00 0.00 57.97 61.22 2wsf h PHE 66 Cb 0.28 -0.04 -0.13 0.00 2.79 0.00 0.00 35.95 38.85 2wsf h PHE 66 CO 0.00 1.49 0.50 -1.71 -2.23 0.00 0.00 178.31 176.36 2wsf n ASN 67 N -3.68 0.25 -0.03 0.41 2.85 -1.17 0.85 115.26 114.73 2wsf n ASN 67 Ca -0.15 1.25 -0.04 0.00 -0.11 0.00 0.00 54.58 55.54 2wsf n ASN 67 Cb 1.08 -0.61 -0.03 0.00 1.24 0.00 0.00 39.78 41.45 2wsf n ASN 67 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 2wsf h ILE 68 N 0.00 0.00 0.00 -1.44 5.03 -1.76 -2.86 117.51 116.49 2wsf h ILE 68 Ca 0.68 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 65.42 2wsf h ILE 68 Cb 1.91 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.70 2wsf h ILE 68 CO -0.54 0.00 0.00 0.55 -0.68 0.00 0.00 178.15 177.48 2wsf n VAL 69 N -3.45 0.54 0.00 1.67 3.14 0.25 -2.06 118.33 118.43 2wsf n VAL 69 Ca -0.01 0.14 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 2wsf n VAL 69 Cb 0.10 -1.04 0.00 0.00 -1.06 0.00 0.00 33.84 31.84 2wsf n VAL 69 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2wsf n ASP 70 N -1.17 0.00 -0.33 6.55 8.00 -1.08 -1.04 116.55 127.48 2wsf n ASP 70 Ca 0.03 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.57 2wsf n ASP 70 Cb 0.04 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.23 2wsf n ASP 70 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 2wsf n VAL 71 N 0.00 -0.41 -0.19 2.53 3.14 -1.26 -1.93 118.33 120.21 2wsf n VAL 71 Ca 0.00 2.09 0.18 0.00 -2.96 0.00 0.00 64.34 63.65 2wsf n VAL 71 Cb 0.00 -2.84 0.53 0.00 -1.06 0.00 0.00 33.84 30.47 2wsf n VAL 71 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 2wsf h LEU 72 N 0.00 0.36 0.00 6.55 6.46 -1.58 -1.61 115.31 125.49 2wsf h LEU 72 Ca 0.39 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.18 2wsf h LEU 72 Cb 0.62 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 2wsf h LEU 72 CO -0.92 0.16 0.00 0.00 -0.62 0.00 0.00 178.44 177.06 2wsf n ALA 73 N -2.54 0.00 0.00 1.25 0.00 -0.21 -4.47 120.51 114.54 2wsf n ALA 73 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2wsf n ALA 73 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 2wsf n ALA 73 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2wsf n TRP 74 N 0.00 0.00 -1.46 0.00 8.01 -1.26 -1.06 117.44 121.67 2wsf n TRP 74 Ca 0.00 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.17 2wsf n TRP 74 Cb 0.00 0.00 0.20 0.00 -2.01 0.00 0.00 31.31 29.50 2wsf n TRP 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2wsf n GLY 75 N -0.22 4.91 1.27 6.99 0.00 -0.65 -3.84 105.19 113.65 2wsf n GLY 75 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 2wsf n GLY 75 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wsf n SER 76 N -1.11 0.00 0.02 1.61 7.64 -0.22 -4.47 113.62 117.08 2wsf n SER 76 Ca 0.30 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.29 2wsf n SER 76 Cb 0.97 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.13 2wsf n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wsf n ILE 77 N -2.11 0.12 -1.45 0.44 3.06 -1.26 -4.27 119.36 113.90 2wsf n ILE 77 Ca 0.00 -0.25 -0.29 0.00 -2.50 0.00 0.00 62.75 59.71 2wsf n ILE 77 Cb 0.00 0.29 0.09 0.00 0.54 0.00 0.00 39.64 40.56 2wsf n ILE 77 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2wsf n GLY 78 N 1.37 5.69 2.93 4.50 0.00 -1.26 -4.98 105.19 113.43 2wsf n GLY 78 Ca 0.01 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.83 2wsf n GLY 78 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2wsf n HIS 79 N -0.94 -3.28 -0.27 1.61 1.44 -1.26 -4.69 115.22 107.83 2wsf n HIS 79 Ca 0.57 1.37 -0.11 0.00 -2.01 0.00 0.00 57.72 57.55 2wsf n HIS 79 Cb 0.90 -3.54 -0.02 0.00 0.12 0.00 0.00 29.99 27.45 2wsf n HIS 79 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 2wsf n ILE 80 N 0.11 0.00 -1.79 0.61 -6.64 -1.25 -3.82 119.36 106.57 2wsf n ILE 80 Ca 0.05 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.03 2wsf n ILE 80 Cb 0.37 -0.08 0.00 0.00 -1.44 0.00 0.00 39.64 38.49 2wsf n ILE 80 CO 0.00 0.00 0.00 1.33 -1.77 0.00 0.00 176.55 176.11 2wsf n VAL 81 N 0.71 -0.82 0.87 7.28 0.24 -1.26 -4.86 118.33 120.49 2wsf n VAL 81 Ca 0.06 0.15 0.12 0.00 -2.04 0.00 0.00 64.34 62.63 2wsf n VAL 81 Cb -0.01 -1.47 0.30 0.00 -1.47 0.00 0.00 33.84 31.20 2wsf n VAL 81 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wsf n ALA 82 N 1.32 3.12 0.04 2.33 0.00 -1.25 -4.34 120.51 121.72 2wsf n ALA 82 Ca 0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 53.44 53.07 2wsf n ALA 82 Cb 0.15 -1.21 0.07 0.00 0.00 0.00 0.00 19.45 18.46 2wsf n ALA 82 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2wsf n TYR 83 N -1.69 1.27 0.00 0.00 0.18 -1.26 -4.87 117.16 110.79 2wsf n TYR 83 Ca 0.05 -1.09 0.00 0.00 1.88 0.00 0.00 57.90 58.74 2wsf n TYR 83 Cb 0.37 -0.55 0.00 0.00 -0.38 0.00 0.00 39.34 38.77 2wsf n TYR 83 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 2wsf n TYR 84 N -0.15 0.00 -2.03 -3.48 -0.00 -1.26 -5.03 117.16 105.22 2wsf n TYR 84 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.15 2wsf n TYR 84 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.31 2wsf n TYR 84 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.86 175.97 2wsf n ILE 85 N 0.00-10.32 0.00 2.97 2.08 -1.26 -5.07 119.36 107.76 2wsf n ILE 85 Ca 0.00 3.08 0.00 0.00 0.56 0.00 0.00 62.75 66.39 2wsf n ILE 85 Cb 0.00 -4.60 0.00 0.00 -0.75 0.00 0.00 39.64 34.29 2wsf n ILE 85 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 2wsf n LEU 86 N 1.42 0.00 -0.81 1.39 7.94 -1.26 -5.06 117.00 120.63 2wsf n LEU 86 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2wsf n LEU 86 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2wsf n LEU 86 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 2wsf n ALA 87 N 0.00 -1.57 -3.91 1.96 0.00 -1.26 -5.12 120.51 110.62 2wsf n ALA 87 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2wsf n ALA 87 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 2wsf n ALA 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wsf s THR 88 N -0.65 1.52 0.00 0.00 2.01 -1.26 -4.82 115.64 112.44 2wsf s THR 88 Ca 0.00 -1.50 0.00 0.00 0.31 0.00 0.00 61.69 60.50 2wsf s THR 88 Cb 0.00 -1.95 0.00 0.00 0.01 0.00 0.00 72.50 70.56 2wsf s THR 88 CO 0.00 -0.35 0.00 0.00 -0.69 0.00 0.00 174.62 173.58 2wsf n ALA 89 N 4.63 0.00 -3.09 7.40 0.00 -1.26 -4.90 120.51 123.28 2wsf n ALA 89 Ca -0.06 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.93 2wsf n ALA 89 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 2wsf n ALA 89 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2wsf s SER 90 N -0.91 6.53 0.00 0.00 1.04 -1.26 -4.90 113.70 114.20 2wsf s SER 90 Ca 0.00 -2.03 0.00 0.00 0.48 0.00 0.00 55.95 54.40 2wsf s SER 90 Cb 0.00 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.80 2wsf s SER 90 CO 0.00 -0.95 0.41 -3.20 0.98 0.00 0.00 173.24 170.49 2wsf n ASN 91 N 5.77 0.00 0.00 7.02 4.05 -1.26 -5.01 115.26 125.83 2wsf n ASN 91 Ca 0.10 0.41 0.00 0.00 0.45 0.00 0.00 54.58 55.55 2wsf n ASN 91 Cb 0.46 -0.13 0.00 0.00 1.23 0.00 0.00 39.78 41.34 2wsf n ASN 91 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2wsf n GLY 92 N -0.88 0.88 0.00 8.20 0.00 -1.26 -4.29 105.19 107.83 2wsf n GLY 92 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2wsf n GLY 92 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wsf n TYR 93 N 0.00 0.00 0.00 1.61 4.02 -1.26 -4.86 117.16 116.67 2wsf n TYR 93 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2wsf n TYR 93 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2wsf n TYR 93 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2wsf n ASP 94 N 0.00 0.00 -4.71 7.72 9.92 -1.26 -5.14 116.55 123.08 2wsf n ASP 94 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.84 2wsf n ASP 94 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 2wsf n ASP 94 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2wsf s PRO 95 N 0.00 4.53 -0.90 -0.24 0.04 -1.26 -4.84 135.00 132.33 2wsf s PRO 95 Ca 0.00 1.35 -0.33 0.00 0.04 0.00 0.00 61.00 62.06 2wsf s PRO 95 Cb 0.00 -3.47 -0.21 0.00 0.04 0.00 0.00 34.50 30.86 2wsf s PRO 95 CO 0.00 -0.06 2.60 0.45 0.04 0.00 0.00 177.00 180.03 2wsf n SER 96 N 4.00 0.43 0.00 6.66 2.88 -1.26 -4.71 113.62 121.62 2wsf n SER 96 Ca 0.05 0.24 0.03 0.00 -1.33 0.00 0.00 58.87 57.87 2wsf n SER 96 Cb 0.51 -0.94 0.20 0.00 -0.75 0.00 0.00 64.21 63.24 2wsf n SER 96 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2wsf n PHE 97 N 10.16 0.00 -0.22 0.66 3.72 -1.26 -5.25 117.46 125.27 2wsf n PHE 97 Ca 0.63 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 58.03 2wsf n PHE 97 Cb 0.03 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 2wsf n PHE 97 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05