#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 n LYS 2 N 0.00 0.00 -3.75 3.17 5.02 -1.26 -5.14 118.16 116.20 2wh4 n LYS 2 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 2wh4 n LYS 2 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 2wh4 n LYS 2 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2wh4 s LYS 3 N 0.85 3.04 -0.03 1.97 2.20 -1.26 -5.13 119.74 121.38 2wh4 s LYS 3 Ca 0.00 -1.05 0.02 0.00 -0.36 0.00 0.00 55.97 54.58 2wh4 s LYS 3 Cb 0.00 -2.70 0.01 0.00 -1.51 0.00 0.00 37.83 33.63 2wh4 s LYS 3 CO 0.00 0.19 -0.09 0.54 -0.36 0.00 0.00 175.35 175.63 2wh4 s VAL 4 N -2.17 0.79 -0.38 4.02 0.11 -1.26 -5.02 120.40 116.49 2wh4 s VAL 4 Ca 0.40 -0.35 -0.01 0.00 -2.93 0.00 0.00 61.98 59.09 2wh4 s VAL 4 Cb -0.08 -0.71 0.24 0.00 -1.53 0.00 0.00 36.38 34.30 2wh4 s VAL 4 CO 0.29 0.25 1.08 0.55 -3.33 0.00 0.00 175.10 173.94 2wh4 n VAL 5 N 3.37 0.00 -3.17 2.04 3.14 -1.26 -4.98 118.33 117.47 2wh4 n VAL 5 Ca -0.19 -0.73 -0.15 0.00 -2.96 0.00 0.00 64.34 60.32 2wh4 n VAL 5 Cb 0.54 1.02 0.05 0.00 -1.06 0.00 0.00 33.84 34.39 2wh4 n VAL 5 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wh4 n ALA 6 N 1.98 -0.85 -1.56 1.55 0.00 -1.26 -3.89 120.51 116.48 2wh4 n ALA 6 Ca 0.07 0.24 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 2wh4 n ALA 6 Cb 0.66 -3.56 0.08 0.00 0.00 0.00 0.00 19.45 16.63 2wh4 n ALA 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2wh4 s VAL 7 N -3.20 3.35 -0.40 0.00 -7.23 -1.26 -3.38 120.40 108.28 2wh4 s VAL 7 Ca 0.35 0.44 0.06 0.00 -1.81 0.00 0.00 61.98 61.02 2wh4 s VAL 7 Cb -0.15 -3.19 0.17 0.00 0.56 0.00 0.00 36.38 33.77 2wh4 s VAL 7 CO 0.46 -0.57 0.55 0.68 -0.31 0.00 0.00 175.10 175.90 2wh4 s VAL 8 N -3.13 -0.78 0.77 1.32 -7.23 0.10 -4.93 120.40 106.53 2wh4 s VAL 8 Ca 0.60 -0.33 -0.11 0.00 -1.81 0.00 0.00 61.98 60.33 2wh4 s VAL 8 Cb -0.14 -0.23 0.06 0.00 0.56 0.00 0.00 36.38 36.63 2wh4 s VAL 8 CO 0.54 -0.19 1.08 -1.59 -0.31 0.00 0.00 175.10 174.63 2wh4 s LYS 9 N 1.72 2.27 0.00 4.82 -2.85 -1.26 -2.74 119.74 121.69 2wh4 s LYS 9 Ca 0.16 0.93 0.00 0.00 -1.00 0.00 0.00 55.97 56.06 2wh4 s LYS 9 Cb -0.08 -1.92 0.00 0.00 -2.06 0.00 0.00 37.83 33.78 2wh4 s LYS 9 CO -0.06 -1.57 0.00 1.47 0.10 0.00 0.00 175.35 175.30 2wh4 n LEU 10 N -3.44 0.00 -4.87 2.77 -0.00 -1.11 -4.88 117.00 105.47 2wh4 n LEU 10 Ca 0.08 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.75 2wh4 n LEU 10 Cb 0.54 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.91 2wh4 n LEU 10 CO 0.55 0.00 0.14 0.00 -0.00 0.00 0.00 177.39 178.08 2wh4 s GLN 11 N -1.82 3.79 0.03 1.47 -2.07 -1.26 -1.88 119.66 117.92 2wh4 s GLN 11 Ca 0.00 0.22 -0.02 0.00 -1.82 0.00 0.00 55.36 53.74 2wh4 s GLN 11 Cb 0.00 -2.86 -0.02 0.00 -1.09 0.00 0.00 33.01 29.04 2wh4 s GLN 11 CO 0.00 0.46 0.00 -0.51 -1.32 0.00 0.00 175.29 173.92 2wh4 s LEU 12 N -2.31 2.17 0.00 2.60 1.43 -1.19 -4.94 118.68 116.44 2wh4 s LEU 12 Ca 0.39 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 2wh4 s LEU 12 Cb -0.13 0.24 0.00 0.00 0.03 0.00 0.00 46.19 46.33 2wh4 s LEU 12 CO 0.20 -0.39 0.00 -0.81 0.23 0.00 0.00 176.35 175.58 2wh4 n PRO 13 N 1.18 3.17 0.00 1.29 -0.04 -1.26 0.11 135.00 139.45 2wh4 n PRO 13 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 2wh4 n PRO 13 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 2wh4 n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wh4 n ALA 14 N -3.00 0.00 0.20 0.55 0.00 -1.12 -4.44 120.51 112.69 2wh4 n ALA 14 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2wh4 n ALA 14 Cb 0.00 0.00 0.41 0.00 0.00 0.00 0.00 19.45 19.86 2wh4 n ALA 14 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2wh4 h GLY 15 N 0.00 0.00 -5.59 0.00 0.00 -1.88 -3.43 103.07 92.18 2wh4 h GLY 15 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 2wh4 h GLY 15 CO 0.00 0.00 1.12 1.17 0.00 0.00 0.00 176.54 178.83 2wh4 n LYS 16 N -3.83 2.39 0.00 4.80 4.81 -1.26 -4.86 118.16 120.20 2wh4 n LYS 16 Ca -0.01 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 2wh4 n LYS 16 Cb 0.42 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.72 2wh4 n LYS 16 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wh4 n ALA 17 N 6.70 0.00 0.00 3.14 0.00 -1.26 -4.36 120.51 124.73 2wh4 n ALA 17 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2wh4 n ALA 17 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 2wh4 n ALA 17 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2wh4 n THR 18 N -0.02 0.00 -1.66 0.00 5.66 -1.26 -4.91 114.28 112.09 2wh4 n THR 18 Ca 0.00 0.00 -0.52 0.00 -3.05 0.00 0.00 64.05 60.48 2wh4 n THR 18 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 2wh4 n THR 18 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2wh4 n PRO 19 N 0.00 1.47 -0.34 1.09 -0.04 -1.26 -4.06 135.00 131.87 2wh4 n PRO 19 Ca 0.00 0.54 0.21 0.00 -0.04 0.00 0.00 63.50 64.20 2wh4 n PRO 19 Cb 0.00 -2.25 0.43 0.00 -0.04 0.00 0.00 33.50 31.64 2wh4 n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wh4 h ALA 20 N 6.46 1.84 -0.06 0.55 0.00 -1.94 -2.67 119.26 123.43 2wh4 h ALA 20 Ca -0.47 0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.62 2wh4 h ALA 20 Cb 1.31 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 2wh4 h ALA 20 CO 0.89 -0.45 -0.31 -1.35 0.00 0.00 0.00 179.25 178.03 2wh4 h PRO 21 N 0.41 -0.33 0.19 0.00 0.11 -1.98 -3.26 132.00 127.15 2wh4 h PRO 21 Ca 0.69 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.81 2wh4 h PRO 21 Cb 1.46 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.65 2wh4 h PRO 21 CO -0.56 -0.22 -0.09 -1.35 -0.21 0.00 0.00 178.00 175.57 2wh4 h PRO 22 N -0.34 -0.25 0.00 1.05 0.11 -1.86 -3.46 132.00 127.25 2wh4 h PRO 22 Ca 0.02 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2wh4 h PRO 22 Cb 0.39 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.56 2wh4 h PRO 22 CO -0.24 -0.17 0.00 1.33 -0.21 0.00 0.00 178.00 178.72 2wh4 n VAL 23 N -2.83 0.00 0.00 3.15 0.24 -1.05 -4.65 118.33 113.18 2wh4 n VAL 23 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 2wh4 n VAL 23 Cb 0.10 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.47 2wh4 n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wh4 n GLY 24 N 4.27 2.05 0.32 7.63 0.00 -1.23 0.10 105.19 118.33 2wh4 n GLY 24 Ca 0.00 0.44 0.16 0.00 0.00 0.00 0.00 46.02 46.63 2wh4 n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wh4 h PRO 25 N 0.00 0.00 -1.00 1.61 0.11 -1.91 -2.43 132.00 128.38 2wh4 h PRO 25 Ca 0.00 0.00 0.29 0.00 0.11 0.00 0.00 66.00 66.40 2wh4 h PRO 25 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 2wh4 h PRO 25 CO 0.00 0.00 0.95 0.00 -0.21 0.00 0.00 178.00 178.74 2wh4 h ALA 26 N 1.48 2.86 0.00 -0.75 0.00 0.42 -2.47 119.26 120.80 2wh4 h ALA 26 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2wh4 h ALA 26 Cb 0.51 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2wh4 h ALA 26 CO 0.00 -1.47 0.00 1.47 0.00 0.00 0.00 179.25 179.25 2wh4 n LEU 27 N -3.63 0.00 0.25 0.00 -0.00 -0.95 -4.81 117.00 107.85 2wh4 n LEU 27 Ca 0.22 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.37 2wh4 n LEU 27 Cb 1.27 0.00 0.47 0.00 -0.00 0.00 0.00 43.42 45.17 2wh4 n LEU 27 CO 0.30 0.00 0.89 1.23 -0.00 0.00 0.00 177.39 179.81 2wh4 h GLY 28 N 0.00 0.00 1.29 1.47 0.00 -1.16 -3.05 103.07 101.63 2wh4 h GLY 28 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 2wh4 h GLY 28 CO 0.00 0.00 -0.62 1.46 0.00 0.00 0.00 176.54 177.38 2wh4 h GLN 29 N 0.00 0.72 -1.25 4.80 1.08 -1.72 -2.70 115.11 116.04 2wh4 h GLN 29 Ca -0.00 -0.50 -0.15 0.00 -1.45 0.00 0.00 58.65 56.55 2wh4 h GLN 29 Cb 0.73 0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 28.16 2wh4 h GLN 29 CO 0.01 1.12 0.19 0.72 -0.95 0.00 0.00 178.83 179.92 2wh4 n HIS 30 N -3.96 0.80 -2.82 2.96 8.25 -1.15 -4.90 115.22 114.40 2wh4 n HIS 30 Ca -0.05 -1.07 -0.03 0.00 -0.26 0.00 0.00 57.72 56.32 2wh4 n HIS 30 Cb 0.66 -0.53 -0.02 0.00 1.12 0.00 0.00 29.99 31.21 2wh4 n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wh4 n GLY 31 N 0.35 -3.04 3.09 -1.41 0.00 -1.02 -4.90 105.19 98.26 2wh4 n GLY 31 Ca 0.16 0.95 -0.06 0.00 0.00 0.00 0.00 46.02 47.07 2wh4 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh4 n ALA 32 N 1.85 -1.65 -2.81 4.61 0.00 -1.23 -4.24 120.51 117.05 2wh4 n ALA 32 Ca -0.21 -0.99 -0.37 0.00 0.00 0.00 0.00 53.44 51.88 2wh4 n ALA 32 Cb 0.36 0.73 -0.11 0.00 0.00 0.00 0.00 19.45 20.44 2wh4 n ALA 32 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2wh4 s ASN 33 N -2.77 5.65 0.00 0.00 0.01 -1.26 -4.76 114.94 111.81 2wh4 s ASN 33 Ca 0.14 -0.05 0.28 0.00 -0.71 0.00 0.00 52.86 52.52 2wh4 s ASN 33 Cb -0.04 -2.02 0.99 0.00 0.41 0.00 0.00 41.25 40.59 2wh4 s ASN 33 CO 0.08 0.01 1.75 -0.38 -1.51 0.00 0.00 177.10 177.05 2wh4 n ILE 34 N 4.66 0.00 -0.02 0.60 2.08 -1.26 -3.52 119.36 121.90 2wh4 n ILE 34 Ca -0.15 -0.00 -0.00 0.00 0.56 0.00 0.00 62.75 63.15 2wh4 n ILE 34 Cb 0.52 -0.23 -0.00 0.00 -0.75 0.00 0.00 39.64 39.17 2wh4 n ILE 34 CO 0.00 0.00 0.00 -0.03 0.56 0.00 0.00 176.55 177.08 2wh4 h MET 35 N 0.01 0.00 0.00 0.38 1.85 -1.99 -1.40 114.93 113.79 2wh4 h MET 35 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 2wh4 h MET 35 Cb 0.49 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.52 2wh4 h MET 35 CO 0.00 0.00 0.00 -1.91 -0.40 0.00 0.00 176.91 174.60 2wh4 n GLU 36 N -3.21 0.11 0.00 0.39 2.13 -1.25 -2.55 120.64 116.26 2wh4 n GLU 36 Ca -0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2wh4 n GLU 36 Cb 0.02 -1.06 0.00 0.00 0.27 0.00 0.00 31.44 30.67 2wh4 n GLU 36 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2wh4 n PHE 37 N -0.56 0.00 -0.25 4.31 7.35 -1.23 -4.28 117.46 122.79 2wh4 n PHE 37 Ca 0.00 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.81 2wh4 n PHE 37 Cb 0.00 0.00 0.38 0.00 0.35 0.00 0.00 39.48 40.21 2wh4 n PHE 37 CO 0.00 0.00 0.00 -0.24 -0.76 0.00 0.00 176.76 175.76 2wh4 h VAL 38 N 0.00 0.85 0.01 -2.13 3.04 -0.96 0.45 116.25 117.51 2wh4 h VAL 38 Ca 0.00 -0.23 -0.42 0.00 -1.01 0.00 0.00 66.70 65.04 2wh4 h VAL 38 Cb 0.50 0.11 -0.06 0.00 -2.01 0.00 0.00 31.29 29.83 2wh4 h VAL 38 CO 0.00 0.12 -2.36 0.29 -1.01 0.00 0.00 177.57 174.62 2wh4 n LYS 39 N -4.54 0.61 0.03 4.17 5.02 -1.23 -3.66 118.16 118.56 2wh4 n LYS 39 Ca 0.16 0.27 0.22 0.00 -2.02 0.00 0.00 58.31 56.94 2wh4 n LYS 39 Cb 0.44 -1.54 0.69 0.00 -0.02 0.00 0.00 35.03 34.60 2wh4 n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wh4 h ALA 40 N -0.62 2.28 0.00 7.82 0.00 -1.72 0.23 119.26 127.25 2wh4 h ALA 40 Ca -0.62 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 2wh4 h ALA 40 Cb 1.68 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2wh4 h ALA 40 CO -0.29 -0.87 -0.00 0.35 0.00 0.00 0.00 179.25 178.44 2wh4 h PHE 41 N 0.00 -0.00 0.00 0.00 3.57 -1.08 -3.27 116.94 116.16 2wh4 h PHE 41 Ca 0.25 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2wh4 h PHE 41 Cb 1.45 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.19 2wh4 h PHE 41 CO 0.00 0.64 0.00 0.09 -2.23 0.00 0.00 178.31 176.81 2wh4 n ASN 42 N -4.67 0.89 -0.01 0.41 3.02 0.73 -1.25 115.26 114.39 2wh4 n ASN 42 Ca -0.07 -1.02 0.09 0.00 -0.03 0.00 0.00 54.58 53.55 2wh4 n ASN 42 Cb 0.31 -0.26 -0.14 0.00 -0.61 0.00 0.00 39.78 39.09 2wh4 n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wh4 n ALA 43 N 0.43 2.92 0.00 5.41 0.00 -0.73 -4.11 120.51 124.43 2wh4 n ALA 43 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2wh4 n ALA 43 Cb 0.18 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2wh4 n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh4 n ALA 44 N -2.05 1.93 0.12 0.00 0.00 -0.38 -4.46 120.51 115.66 2wh4 n ALA 44 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.21 2wh4 n ALA 44 Cb 0.46 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.77 2wh4 n ALA 44 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2wh4 h THR 45 N 0.00 1.36 0.00 0.00 2.02 -1.69 -2.68 112.91 111.92 2wh4 h THR 45 Ca 0.00 -2.75 -0.05 0.00 0.77 0.00 0.00 66.41 64.38 2wh4 h THR 45 Cb 0.00 2.90 -0.01 0.00 -1.74 0.00 0.00 68.15 69.30 2wh4 h THR 45 CO 0.00 0.82 -0.26 0.00 0.37 0.00 0.00 175.52 176.45 2wh4 h ALA 46 N 0.35 1.06 0.01 6.16 0.00 -1.75 -2.39 119.26 122.70 2wh4 h ALA 46 Ca -0.19 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 2wh4 h ALA 46 Cb 2.02 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 2wh4 h ALA 46 CO 0.24 0.32 -0.21 -0.97 0.00 0.00 0.00 179.25 178.63 2wh4 h ASN 47 N 0.00 0.03 0.06 0.00 -1.24 -1.77 -3.40 115.58 109.26 2wh4 h ASN 47 Ca -0.00 -0.93 -0.13 0.00 0.71 0.00 0.00 56.30 55.94 2wh4 h ASN 47 Cb 0.73 -0.01 0.01 0.00 0.73 0.00 0.00 38.32 39.79 2wh4 h ASN 47 CO 0.03 1.09 -0.56 0.00 -1.29 0.00 0.00 177.43 176.70 2wh4 h MET 48 N -0.96 0.27 0.00 6.67 -0.00 -1.55 -3.50 114.93 115.85 2wh4 h MET 48 Ca -0.05 -0.38 0.00 0.00 -0.00 0.00 0.00 59.70 59.27 2wh4 h MET 48 Cb 1.08 0.13 0.00 0.00 -0.00 0.00 0.00 31.60 32.80 2wh4 h MET 48 CO -0.02 1.12 0.00 0.41 -0.00 0.00 0.00 176.91 178.42 2wh4 n GLY 49 N 1.38 0.67 2.66 -3.00 0.00 -0.90 -5.07 105.19 100.93 2wh4 n GLY 49 Ca -0.12 0.38 -0.04 0.00 0.00 0.00 0.00 46.02 46.25 2wh4 n GLY 49 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wh4 n ASP 50 N 0.00 -1.20 0.00 1.61 5.68 -1.26 -4.31 116.55 117.07 2wh4 n ASP 50 Ca 0.00 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.53 2wh4 n ASP 50 Cb 0.00 1.07 0.00 0.00 -1.14 0.00 0.00 41.12 41.05 2wh4 n ASP 50 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wh4 n ALA 51 N -0.15 0.00 -3.33 2.12 0.00 -1.26 -4.38 120.51 113.51 2wh4 n ALA 51 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 2wh4 n ALA 51 Cb 0.69 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.07 2wh4 n ALA 51 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2wh4 s ILE 52 N 1.31 -0.55 -0.44 0.00 1.10 -1.26 -2.81 121.20 118.56 2wh4 s ILE 52 Ca 0.00 -0.46 -0.17 0.00 -0.51 0.00 0.00 60.65 59.51 2wh4 s ILE 52 Cb 0.00 -0.88 0.03 0.00 0.15 0.00 0.00 42.46 41.77 2wh4 s ILE 52 CO 0.00 -0.37 0.46 0.68 -2.11 0.00 0.00 174.94 173.60 2wh4 s VAL 53 N 2.25 5.07 -0.56 4.00 -7.23 0.12 -3.70 120.40 120.35 2wh4 s VAL 53 Ca 0.11 -0.44 -0.26 0.00 -1.81 0.00 0.00 61.98 59.59 2wh4 s VAL 53 Cb -0.13 -4.08 -0.05 0.00 0.56 0.00 0.00 36.38 32.68 2wh4 s VAL 53 CO -0.24 -0.49 2.18 -2.16 -0.31 0.00 0.00 175.10 174.08 2wh4 s PRO 54 N 2.15 2.30 -0.33 4.82 0.04 -1.26 -3.16 135.00 139.56 2wh4 s PRO 54 Ca 0.12 1.02 -0.06 0.00 0.04 0.00 0.00 61.00 62.12 2wh4 s PRO 54 Cb -0.18 -4.52 0.04 0.00 0.04 0.00 0.00 34.50 29.88 2wh4 s PRO 54 CO 0.13 -3.10 0.09 0.54 0.04 0.00 0.00 177.00 174.70 2wh4 s VAL 55 N 11.01 3.70 -0.28 -0.36 0.11 -0.79 -2.44 120.40 131.35 2wh4 s VAL 55 Ca 0.85 -1.15 -0.16 0.00 -2.93 0.00 0.00 61.98 58.59 2wh4 s VAL 55 Cb -0.15 -3.09 -0.03 0.00 -1.53 0.00 0.00 36.38 31.58 2wh4 s VAL 55 CO 0.23 -0.16 0.43 -1.83 -3.33 0.00 0.00 175.10 170.43 2wh4 s GLU 56 N 1.39 3.98 -0.16 1.54 -1.05 -0.97 -2.77 118.70 120.65 2wh4 s GLU 56 Ca -0.02 0.09 -0.06 0.00 -0.15 0.00 0.00 54.97 54.82 2wh4 s GLU 56 Cb -0.19 -3.67 -0.04 0.00 -0.44 0.00 0.00 34.13 29.78 2wh4 s GLU 56 CO 0.02 -0.34 0.05 0.42 0.95 0.00 0.00 175.26 176.36 2wh4 s ILE 57 N 2.17 4.72 0.33 1.83 1.09 -1.11 -2.43 121.20 127.79 2wh4 s ILE 57 Ca 0.17 -0.07 0.02 0.00 -1.10 0.00 0.00 60.65 59.68 2wh4 s ILE 57 Cb -0.16 -3.10 -0.03 0.00 -1.06 0.00 0.00 42.46 38.12 2wh4 s ILE 57 CO 0.10 0.50 0.50 -0.89 -0.10 0.00 0.00 174.94 175.05 2wh4 s THR 58 N 0.09 4.91 0.04 2.92 2.01 -1.26 0.03 115.64 124.38 2wh4 s THR 58 Ca 0.05 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.40 2wh4 s THR 58 Cb -0.12 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 2wh4 s THR 58 CO 0.01 -0.43 -0.08 -0.63 -0.69 0.00 0.00 174.62 172.80 2wh4 s ILE 59 N -2.24 0.53 0.40 1.82 1.01 -1.22 -3.28 121.20 118.22 2wh4 s ILE 59 Ca 0.40 -1.06 0.04 0.00 0.00 0.00 0.00 60.65 60.03 2wh4 s ILE 59 Cb -0.09 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.77 2wh4 s ILE 59 CO 0.34 -0.37 0.13 -1.22 0.00 0.00 0.00 174.94 173.82 2wh4 n TYR 60 N 1.49 0.19 0.08 3.97 4.01 -1.23 -4.51 117.16 121.17 2wh4 n TYR 60 Ca -0.23 -2.53 0.01 0.00 -0.16 0.00 0.00 57.90 54.99 2wh4 n TYR 60 Cb 0.55 -0.02 0.33 0.00 -0.31 0.00 0.00 39.34 39.89 2wh4 n TYR 60 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wh4 h ALA 61 N 1.63 1.39 0.00 -0.72 0.00 -1.95 -2.77 119.26 116.84 2wh4 h ALA 61 Ca -0.31 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2wh4 h ALA 61 Cb 1.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2wh4 h ALA 61 CO 0.50 0.42 0.00 -0.25 0.00 0.00 0.00 179.25 179.92 2wh4 n ASP 62 N -4.22 3.43 -2.58 0.00 8.00 -1.26 -4.71 116.55 115.21 2wh4 n ASP 62 Ca -0.00 -1.92 -0.05 0.00 0.71 0.00 0.00 54.79 53.52 2wh4 n ASP 62 Cb 0.31 -0.66 -0.01 0.00 -0.02 0.00 0.00 41.12 40.74 2wh4 n ASP 62 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2wh4 n ARG 63 N 1.00 -2.54 -1.57 -1.24 -4.01 -1.04 -4.85 116.66 102.40 2wh4 n ARG 63 Ca 0.00 0.02 -0.20 0.00 -1.04 0.00 0.00 57.85 56.63 2wh4 n ARG 63 Cb 0.43 -4.11 0.13 0.00 -3.04 0.00 0.00 32.46 25.87 2wh4 n ARG 63 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2wh4 n SER 64 N -1.47 0.33 -3.65 2.89 2.88 -1.25 -4.31 113.62 109.04 2wh4 n SER 64 Ca 0.01 -1.49 0.01 0.00 -1.33 0.00 0.00 58.87 56.08 2wh4 n SER 64 Cb 0.45 -0.67 -0.00 0.00 -0.75 0.00 0.00 64.21 63.24 2wh4 n SER 64 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2wh4 s PHE 65 N -2.86 -0.03 -0.41 0.66 -0.12 -1.25 -3.47 117.98 110.50 2wh4 s PHE 65 Ca 0.53 -0.11 0.08 0.00 -0.05 0.00 0.00 56.93 57.38 2wh4 s PHE 65 Cb -0.02 0.56 0.25 0.00 -0.63 0.00 0.00 43.02 43.18 2wh4 s PHE 65 CO 0.37 -0.35 0.60 -2.37 -0.05 0.00 0.00 175.22 173.42 2wh4 n THR 66 N -0.59 -0.55 -1.84 -4.49 5.66 -1.21 -4.91 114.28 106.35 2wh4 n THR 66 Ca -0.06 -3.45 -0.24 0.00 -3.05 0.00 0.00 64.05 57.25 2wh4 n THR 66 Cb 0.62 -1.20 -0.05 0.00 -1.55 0.00 0.00 70.33 68.14 2wh4 n THR 66 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2wh4 s PHE 67 N -0.76 1.51 -0.14 1.09 -0.71 -1.26 -4.09 117.98 113.61 2wh4 s PHE 67 Ca 0.34 1.19 -0.28 0.00 -1.04 0.00 0.00 56.93 57.15 2wh4 s PHE 67 Cb 0.18 -3.80 -0.01 0.00 -1.21 0.00 0.00 43.02 38.18 2wh4 s PHE 67 CO -0.14 -1.79 0.95 0.08 -1.34 0.00 0.00 175.22 172.98 2wh4 s VAL 68 N 11.82 4.80 0.11 -2.49 1.01 -1.02 -4.90 120.40 129.74 2wh4 s VAL 68 Ca 0.80 1.90 -0.06 0.00 0.00 0.00 0.00 61.98 64.62 2wh4 s VAL 68 Cb -0.10 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 31.97 2wh4 s VAL 68 CO 0.06 -0.01 0.37 -0.89 0.00 0.00 0.00 175.10 174.63 2wh4 s THR 69 N 2.20 5.16 0.31 3.92 2.01 -1.26 -2.30 115.64 125.68 2wh4 s THR 69 Ca 0.44 0.15 0.06 0.00 0.31 0.00 0.00 61.69 62.66 2wh4 s THR 69 Cb -0.17 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 2wh4 s THR 69 CO 0.14 0.14 0.22 0.29 -0.69 0.00 0.00 174.62 174.72 2wh4 n LYS 70 N 0.41 0.43 -2.47 4.92 5.02 -1.02 -5.00 118.16 120.44 2wh4 n LYS 70 Ca -0.05 -2.99 -0.38 0.00 -2.02 0.00 0.00 58.31 52.87 2wh4 n LYS 70 Cb 0.52 2.23 -0.04 0.00 -0.02 0.00 0.00 35.03 37.72 2wh4 n LYS 70 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wh4 s THR 71 N -3.13 3.55 0.51 -0.18 -4.23 -1.26 -4.00 115.64 106.90 2wh4 s THR 71 Ca 0.31 1.28 -0.21 0.00 -1.18 0.00 0.00 61.69 61.88 2wh4 s THR 71 Cb 0.02 -3.70 -0.08 0.00 1.34 0.00 0.00 72.50 70.07 2wh4 s THR 71 CO 0.22 0.09 0.96 -0.81 -0.54 0.00 0.00 174.62 174.54 2wh4 n PRO 72 N 0.19 1.13 -1.50 3.99 -0.04 -1.24 -4.46 135.00 133.07 2wh4 n PRO 72 Ca 0.04 0.42 -0.53 0.00 -0.04 0.00 0.00 63.50 63.39 2wh4 n PRO 72 Cb 0.48 -2.08 -0.05 0.00 -0.04 0.00 0.00 33.50 31.80 2wh4 n PRO 72 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2wh4 n PRO 73 N -0.34 0.38 0.00 0.54 -0.02 -1.26 -4.70 135.00 129.60 2wh4 n PRO 73 Ca 0.11 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2wh4 n PRO 73 Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 2wh4 n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wh4 n ALA 74 N 1.13 0.84 0.74 3.55 0.00 -1.26 0.15 120.51 125.65 2wh4 n ALA 74 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.75 2wh4 n ALA 74 Cb 0.18 -0.76 0.34 0.00 0.00 0.00 0.00 19.45 19.21 2wh4 n ALA 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wh4 n SER 75 N -1.27 0.57 -0.09 0.00 2.88 -1.26 -3.48 113.62 110.97 2wh4 n SER 75 Ca 0.00 0.26 -0.15 0.00 -1.33 0.00 0.00 58.87 57.65 2wh4 n SER 75 Cb 0.10 -0.23 -0.08 0.00 -0.75 0.00 0.00 64.21 63.25 2wh4 n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wh4 n TYR 76 N -1.94 0.98 0.06 0.66 9.36 0.12 -3.38 117.16 123.03 2wh4 n TYR 76 Ca 0.05 0.43 0.19 0.00 3.32 0.00 0.00 57.90 61.88 2wh4 n TYR 76 Cb 0.40 -0.98 0.71 0.00 -0.63 0.00 0.00 39.34 38.85 2wh4 n TYR 76 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2wh4 h LEU 77 N -1.00 0.00 0.03 2.98 3.38 -1.72 0.16 115.31 119.14 2wh4 h LEU 77 Ca -0.22 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.52 2wh4 h LEU 77 Cb 1.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 2wh4 h LEU 77 CO -0.13 0.00 -1.11 -0.29 0.09 0.00 0.00 178.44 176.99 2wh4 h ILE 78 N 0.00 1.60 0.00 1.22 2.10 -1.72 -3.20 117.51 117.51 2wh4 h ILE 78 Ca 0.20 -3.29 0.00 0.00 1.08 0.00 0.00 64.86 62.85 2wh4 h ILE 78 Cb 0.85 2.84 0.00 0.00 -1.09 0.00 0.00 36.82 39.42 2wh4 h ILE 78 CO -0.00 0.93 0.00 0.54 -1.08 0.00 0.00 178.15 178.54 2wh4 n ARG 79 N -3.37 0.00 0.04 2.19 1.74 0.03 -3.27 116.66 114.01 2wh4 n ARG 79 Ca -0.03 0.15 0.20 0.00 -0.77 0.00 0.00 57.85 57.39 2wh4 n ARG 79 Cb 0.97 -1.02 0.53 0.00 -1.02 0.00 0.00 32.46 31.93 2wh4 n ARG 79 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 2wh4 h LYS 80 N 0.00 0.00 0.00 5.56 2.10 -1.73 0.61 116.57 123.11 2wh4 h LYS 80 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2wh4 h LYS 80 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2wh4 h LYS 80 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.45 2wh4 n ALA 81 N -2.12 1.20 -0.79 0.07 0.00 -1.20 -2.36 120.51 115.30 2wh4 n ALA 81 Ca 0.11 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2wh4 n ALA 81 Cb 1.00 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2wh4 n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh4 n ALA 82 N -1.77 0.64 -2.26 0.00 0.00 0.21 -4.89 120.51 112.43 2wh4 n ALA 82 Ca -0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 53.44 53.20 2wh4 n ALA 82 Cb 0.08 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.55 2wh4 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh4 n GLY 83 N -0.02 -0.24 3.00 0.00 0.00 -0.71 -4.77 105.19 102.45 2wh4 n GLY 83 Ca 0.00 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 2wh4 n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wh4 s LEU 84 N -3.71 1.55 0.00 0.99 1.43 -1.22 -4.99 118.68 112.74 2wh4 s LEU 84 Ca 0.14 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2wh4 s LEU 84 Cb -0.02 -0.96 0.00 0.00 0.03 0.00 0.00 46.19 45.24 2wh4 s LEU 84 CO 0.33 -0.02 0.78 -0.62 0.23 0.00 0.00 176.35 177.05 2wh4 n GLU 85 N 4.36 0.00 -0.08 1.70 1.02 -1.26 -4.49 120.64 121.89 2wh4 n GLU 85 Ca -0.18 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 2wh4 n GLU 85 Cb 0.51 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 2wh4 n GLU 85 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wh4 n LYS 86 N -1.96 1.58 0.00 3.49 4.76 -1.26 -5.06 118.16 119.71 2wh4 n LYS 86 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wh4 n LYS 86 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2wh4 n LYS 86 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wh4 n GLY 87 N 5.00 0.67 0.00 0.72 0.00 -1.26 -5.04 105.19 105.28 2wh4 n GLY 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wh4 n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh4 n ALA 88 N -1.03 0.00 -0.34 4.61 0.00 -1.25 -4.75 120.51 117.76 2wh4 n ALA 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wh4 n ALA 88 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wh4 n ALA 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wh4 n HIS 89 N 0.00 0.00 -3.50 0.00 8.25 -1.26 -4.53 115.22 114.18 2wh4 n HIS 89 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2wh4 n HIS 89 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 2wh4 n HIS 89 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2wh4 s LYS 90 N 0.00 2.68 0.00 -0.41 -2.85 -1.26 -5.06 119.74 112.85 2wh4 s LYS 90 Ca 0.00 -1.89 0.00 0.00 -1.00 0.00 0.00 55.97 53.08 2wh4 s LYS 90 Cb 0.00 -4.03 0.00 0.00 -2.06 0.00 0.00 37.83 31.74 2wh4 s LYS 90 CO 0.00 -1.23 0.00 -2.30 0.10 0.00 0.00 175.35 171.92 2wh4 n PRO 91 N 4.75 1.39 -0.46 1.78 -0.02 -1.26 -4.31 135.00 136.88 2wh4 n PRO 91 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2wh4 n PRO 91 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.89 2wh4 n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wh4 n GLY 92 N 2.78 0.39 0.00 -1.23 0.00 -1.26 -4.40 105.19 101.47 2wh4 n GLY 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wh4 n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wh4 n ARG 93 N -2.00 0.00 -3.57 1.61 0.00 -1.26 -5.08 116.66 106.35 2wh4 n ARG 93 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 2wh4 n ARG 93 Cb 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 32.46 32.19 2wh4 n ARG 93 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2wh4 s GLU 94 N -1.00 2.98 -1.17 -0.14 2.12 -1.26 -5.02 118.70 115.22 2wh4 s GLU 94 Ca 0.00 -0.98 -0.10 0.00 0.36 0.00 0.00 54.97 54.25 2wh4 s GLU 94 Cb 0.00 -3.77 0.23 0.00 0.26 0.00 0.00 34.13 30.86 2wh4 s GLU 94 CO 0.00 -0.65 1.40 1.63 -0.54 0.00 0.00 175.26 177.10 2wh4 n LYS 95 N 5.04 3.66 -0.32 4.30 4.01 -1.26 -4.49 118.16 129.11 2wh4 n LYS 95 Ca -0.12 -4.14 0.17 0.00 -0.51 0.00 0.00 58.31 53.72 2wh4 n LYS 95 Cb 0.47 -2.76 0.33 0.00 -0.51 0.00 0.00 35.03 32.56 2wh4 n LYS 95 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2wh4 n VAL 96 N 3.17 -0.39 -4.14 -0.18 0.31 -0.84 -4.59 118.33 111.66 2wh4 n VAL 96 Ca 0.31 2.02 -0.14 0.00 -0.01 0.00 0.00 64.34 66.52 2wh4 n VAL 96 Cb 0.39 -3.01 -0.07 0.00 -0.91 0.00 0.00 33.84 30.23 2wh4 n VAL 96 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2wh4 s GLY 97 N -4.33 1.43 0.12 2.92 0.00 -1.26 -5.10 107.32 101.11 2wh4 s GLY 97 Ca -0.11 -1.55 -0.04 0.00 0.00 0.00 0.00 44.72 43.02 2wh4 s GLY 97 CO 0.73 -1.14 0.13 1.09 0.00 0.00 0.00 173.10 173.91 2wh4 s ARG 98 N -3.68 0.94 0.11 2.90 1.70 -1.26 -3.41 118.95 116.24 2wh4 s ARG 98 Ca 0.33 -1.26 0.04 0.00 -0.47 0.00 0.00 55.73 54.37 2wh4 s ARG 98 Cb 0.02 0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 34.66 2wh4 s ARG 98 CO 0.17 -0.29 -0.10 0.42 -1.08 0.00 0.00 175.30 174.41 2wh4 s ILE 99 N -3.98 1.01 0.23 4.99 -1.09 -0.87 -4.63 121.20 116.85 2wh4 s ILE 99 Ca 0.17 -1.71 -0.00 0.00 -2.23 0.00 0.00 60.65 56.88 2wh4 s ILE 99 Cb 0.06 -1.45 -0.04 0.00 -1.58 0.00 0.00 42.46 39.45 2wh4 s ILE 99 CO -0.02 -0.57 0.42 0.42 -1.23 0.00 0.00 174.94 173.95 2wh4 s THR 100 N -2.54 5.19 0.43 2.92 -4.23 -1.26 0.27 115.64 116.42 2wh4 s THR 100 Ca 0.07 -0.43 0.15 0.00 -1.18 0.00 0.00 61.69 60.31 2wh4 s THR 100 Cb -0.02 -3.76 0.15 0.00 1.34 0.00 0.00 72.50 70.21 2wh4 s THR 100 CO 0.00 -0.25 1.41 -0.50 -0.54 0.00 0.00 174.62 174.74 2wh4 h TRP 101 N 1.72 0.00 0.00 3.99 4.06 -1.73 -0.34 115.95 123.65 2wh4 h TRP 101 Ca -0.49 0.00 -0.42 0.00 2.06 0.00 0.00 58.89 60.04 2wh4 h TRP 101 Cb 1.20 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.30 2wh4 h TRP 101 CO 0.54 0.00 -2.35 -0.85 -3.56 0.00 0.00 178.44 172.22 2wh4 n GLU 102 N -2.42 0.60 -0.13 0.49 0.28 -1.26 -3.65 120.64 114.55 2wh4 n GLU 102 Ca -0.01 0.29 0.25 0.00 -0.16 0.00 0.00 57.16 57.53 2wh4 n GLU 102 Cb 0.53 -1.54 0.68 0.00 1.43 0.00 0.00 31.44 32.55 2wh4 n GLU 102 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 2wh4 h GLN 103 N -0.85 0.06 -0.08 3.44 4.20 -1.49 0.58 115.11 120.96 2wh4 h GLN 103 Ca -0.63 -0.00 -0.20 0.00 0.06 0.00 0.00 58.65 57.87 2wh4 h GLN 103 Cb 1.62 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 29.40 2wh4 h GLN 103 CO -0.34 0.04 -0.75 -0.24 -0.67 0.00 0.00 178.83 176.87 2wh4 h VAL 104 N 0.06 1.32 -0.92 -0.54 3.04 -1.43 -3.19 116.25 114.59 2wh4 h VAL 104 Ca 0.38 -2.01 -0.01 0.00 -1.01 0.00 0.00 66.70 64.05 2wh4 h VAL 104 Cb 1.42 2.22 -0.04 0.00 -2.01 0.00 0.00 31.29 32.87 2wh4 h VAL 104 CO -0.03 0.62 0.55 0.25 -1.01 0.00 0.00 177.57 177.95 2wh4 h LEU 105 N 0.31 1.10 0.08 3.16 6.46 -0.04 -1.44 115.31 124.94 2wh4 h LEU 105 Ca -0.07 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 2wh4 h LEU 105 Cb 1.40 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 41.03 2wh4 h LEU 105 CO 0.15 0.85 -0.27 -0.33 -0.62 0.00 0.00 178.44 178.22 2wh4 h GLU 106 N 1.26 -0.39 -0.77 1.25 5.08 -0.87 -1.82 114.58 118.33 2wh4 h GLU 106 Ca 0.33 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.89 2wh4 h GLU 106 Cb -0.05 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.16 2wh4 h GLU 106 CO -0.06 -0.26 0.14 0.82 -1.00 0.00 0.00 179.01 178.65 2wh4 h ILE 107 N -0.40 0.43 -1.02 3.13 2.04 -1.51 0.32 117.51 120.49 2wh4 h ILE 107 Ca -0.01 -0.07 0.28 0.00 1.00 0.00 0.00 64.86 66.06 2wh4 h ILE 107 Cb 0.39 0.20 -0.13 0.00 -0.74 0.00 0.00 36.82 36.55 2wh4 h ILE 107 CO -0.13 0.04 0.60 0.00 0.00 0.00 0.00 178.15 178.66 2wh4 h ALA 108 N 1.67 1.93 -0.44 1.87 0.00 -0.46 0.80 119.26 124.63 2wh4 h ALA 108 Ca 0.44 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.40 2wh4 h ALA 108 Cb 0.79 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2wh4 h ALA 108 CO -0.58 -0.45 -0.09 0.87 0.00 0.00 0.00 179.25 179.00 2wh4 h LYS 109 N 0.46 0.78 0.00 0.00 1.57 0.28 -0.52 116.57 119.14 2wh4 h LYS 109 Ca 0.68 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 59.17 2wh4 h LYS 109 Cb 1.46 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.70 2wh4 h LYS 109 CO -0.50 0.85 -0.16 0.37 -0.57 0.00 0.00 179.45 179.44 2wh4 h GLN 110 N 0.71 0.00 -0.01 3.15 4.15 0.81 -3.24 115.11 120.69 2wh4 h GLN 110 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.54 2wh4 h GLN 110 Cb 0.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 2wh4 h GLN 110 CO 0.03 0.16 -0.05 1.63 -1.93 0.00 0.00 178.83 178.68 2wh4 n LYS 111 N -3.32 0.86 0.31 1.69 5.02 -0.67 -4.65 118.16 117.41 2wh4 n LYS 111 Ca 0.00 -0.69 0.21 0.00 -2.02 0.00 0.00 58.31 55.81 2wh4 n LYS 111 Cb 0.39 -1.04 1.09 0.00 -0.02 0.00 0.00 35.03 35.45 2wh4 n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wh4 h MET 112 N 0.93 0.00 -0.00 1.97 -0.00 -1.12 -0.69 114.93 116.02 2wh4 h MET 112 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2wh4 h MET 112 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.82 2wh4 h MET 112 CO 0.00 0.00 -0.06 -0.35 -0.00 0.00 0.00 176.91 176.50 2wh4 n PRO 113 N -2.98 0.25 -0.12 -0.10 -0.04 -1.26 -3.80 135.00 126.96 2wh4 n PRO 113 Ca -0.02 -0.04 -0.15 0.00 -0.04 0.00 0.00 63.50 63.25 2wh4 n PRO 113 Cb 0.09 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.92 2wh4 n PRO 113 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wh4 n ASP 114 N -1.34 1.38 0.00 3.54 8.00 -0.29 -4.97 116.55 122.87 2wh4 n ASP 114 Ca 0.10 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.51 2wh4 n ASP 114 Cb 0.30 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 2wh4 n ASP 114 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wh4 n LEU 115 N -3.09 0.00 -1.39 0.64 4.77 -1.06 -5.02 117.00 111.84 2wh4 n LEU 115 Ca -0.41 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.57 2wh4 n LEU 115 Cb 1.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 2wh4 n LEU 115 CO 0.31 0.00 0.23 -3.20 -1.33 0.00 0.00 177.39 173.40 2wh4 n ASN 116 N 0.00 -0.06 -3.35 -1.43 2.85 -1.26 -5.09 115.26 106.91 2wh4 n ASN 116 Ca 0.00 -0.90 -0.15 0.00 -0.11 0.00 0.00 54.58 53.42 2wh4 n ASN 116 Cb 0.00 0.03 -0.07 0.00 1.24 0.00 0.00 39.78 40.97 2wh4 n ASN 116 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2wh4 s THR 117 N 0.00 -0.42 0.18 -0.44 -4.23 -1.26 -5.04 115.64 104.43 2wh4 s THR 117 Ca 0.00 -0.74 -0.22 0.00 -1.18 0.00 0.00 61.69 59.55 2wh4 s THR 117 Cb 0.02 -0.74 0.10 0.00 1.34 0.00 0.00 72.50 73.21 2wh4 s THR 117 CO -0.00 -0.49 1.59 0.71 -0.54 0.00 0.00 174.62 175.88 2wh4 h THR 118 N 5.44 0.18 -1.71 3.99 1.35 -1.99 -3.41 112.91 116.77 2wh4 h THR 118 Ca -0.00 0.00 -0.63 0.00 -0.55 0.00 0.00 66.41 65.23 2wh4 h THR 118 Cb 1.08 0.18 0.14 0.00 -1.73 0.00 0.00 68.15 67.81 2wh4 h THR 118 CO 0.23 0.00 -0.71 0.47 -0.25 0.00 0.00 175.52 175.26 2wh4 n ASP 119 N -5.43 -1.98 -0.18 5.36 8.00 -1.26 -4.89 116.55 116.17 2wh4 n ASP 119 Ca 0.03 0.91 0.12 0.00 0.71 0.00 0.00 54.79 56.56 2wh4 n ASP 119 Cb 0.35 -0.96 0.21 0.00 -0.02 0.00 0.00 41.12 40.70 2wh4 n ASP 119 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2wh4 n LEU 120 N 2.00 1.05 -0.03 0.64 0.00 -1.26 -3.14 117.00 116.26 2wh4 n LEU 120 Ca 0.13 -0.31 -0.21 0.00 0.00 0.00 0.00 56.01 55.62 2wh4 n LEU 120 Cb 0.37 -0.12 -0.13 0.00 0.00 0.00 0.00 43.42 43.53 2wh4 n LEU 120 CO 0.55 0.21 -0.90 -0.62 0.00 0.00 0.00 177.39 176.63 2wh4 n GLU 121 N -0.90 0.73 0.11 1.96 4.71 -1.26 -2.83 120.64 123.15 2wh4 n GLU 121 Ca 0.09 0.26 -0.13 0.00 -0.01 0.00 0.00 57.16 57.37 2wh4 n GLU 121 Cb 0.36 -1.67 -0.06 0.00 -1.01 0.00 0.00 31.44 29.06 2wh4 n GLU 121 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2wh4 h ALA 122 N 0.02 -0.30 0.15 0.62 0.00 -1.92 -1.63 119.26 116.20 2wh4 h ALA 122 Ca -0.45 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2wh4 h ALA 122 Cb 1.97 0.25 0.00 0.00 0.00 0.00 0.00 17.79 20.01 2wh4 h ALA 122 CO 0.03 -0.69 -0.07 0.00 0.00 0.00 0.00 179.25 178.52 2wh4 h ALA 123 N 0.49 -0.21 -0.97 0.00 0.00 -1.72 -2.70 119.26 114.16 2wh4 h ALA 123 Ca 0.01 -0.08 0.25 0.00 0.00 0.00 0.00 54.91 55.09 2wh4 h ALA 123 Cb 0.34 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 2wh4 h ALA 123 CO -0.07 -0.57 0.66 0.00 0.00 0.00 0.00 179.25 179.27 2wh4 h ALA 124 N 0.54 2.47 0.98 0.00 0.00 -1.40 -2.17 119.26 119.68 2wh4 h ALA 124 Ca -0.02 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2wh4 h ALA 124 Cb 0.23 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2wh4 h ALA 124 CO 0.03 -0.79 -0.47 0.00 0.00 0.00 0.00 179.25 178.02 2wh4 h ARG 125 N 0.26 -1.26 -0.18 0.00 3.08 -0.96 0.11 114.38 115.42 2wh4 h ARG 125 Ca 0.51 0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.64 2wh4 h ARG 125 Cb 1.52 0.29 0.00 0.00 0.08 0.00 0.00 29.97 31.86 2wh4 h ARG 125 CO -0.15 -0.84 0.00 0.00 -1.07 0.00 0.00 179.97 177.91 2wh4 n MET 126 N -5.64 0.23 0.00 0.04 0.00 -0.82 -0.82 117.12 110.10 2wh4 n MET 126 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.54 2wh4 n MET 126 Cb 0.52 -1.09 0.00 0.00 0.00 0.00 0.00 33.22 32.65 2wh4 n MET 126 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 2wh4 n ILE 127 N 0.22 0.00 0.23 3.17 2.08 -0.84 -4.27 119.36 119.94 2wh4 n ILE 127 Ca 0.00 0.00 0.17 0.00 0.56 0.00 0.00 62.75 63.48 2wh4 n ILE 127 Cb 0.05 -1.29 0.85 0.00 -0.75 0.00 0.00 39.64 38.49 2wh4 n ILE 127 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wh4 h ALA 128 N 0.00 1.75 0.10 -1.39 0.00 0.12 0.57 119.26 120.41 2wh4 h ALA 128 Ca 0.00 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 2wh4 h ALA 128 Cb 0.94 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2wh4 h ALA 128 CO 0.00 -0.22 -1.18 0.78 0.00 0.00 0.00 179.25 178.62 2wh4 h GLY 129 N 0.00 0.33 1.83 0.00 0.00 -1.53 -3.02 103.07 100.68 2wh4 h GLY 129 Ca 0.07 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.62 2wh4 h GLY 129 CO -0.00 0.68 0.04 1.44 0.00 0.00 0.00 176.54 178.70 2wh4 n SER 130 N -3.57 0.01 -0.04 0.19 7.64 0.20 -0.79 113.62 117.25 2wh4 n SER 130 Ca -0.08 0.46 -0.10 0.00 1.01 0.00 0.00 58.87 60.17 2wh4 n SER 130 Cb 0.99 -0.46 -0.08 0.00 -1.01 0.00 0.00 64.21 63.64 2wh4 n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wh4 h ALA 131 N 1.83 -0.04 0.00 -0.43 0.00 -1.37 -3.00 119.26 116.26 2wh4 h ALA 131 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2wh4 h ALA 131 Cb 0.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2wh4 h ALA 131 CO 0.00 -0.06 0.00 0.54 0.00 0.00 0.00 179.25 179.73 2wh4 n ARG 132 N -4.72 0.03 0.00 0.00 5.12 0.03 -0.06 116.66 117.05 2wh4 n ARG 132 Ca -0.07 0.24 0.12 0.00 -1.93 0.00 0.00 57.85 56.21 2wh4 n ARG 132 Cb 0.30 -1.50 0.27 0.00 -1.16 0.00 0.00 32.46 30.37 2wh4 n ARG 132 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2wh4 n SER 133 N -1.25 0.62 -0.49 0.55 7.64 -0.91 -4.09 113.62 115.68 2wh4 n SER 133 Ca 0.01 -0.40 0.00 0.00 1.01 0.00 0.00 58.87 59.49 2wh4 n SER 133 Cb 0.01 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 2wh4 n SER 133 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 2wh4 n MET 134 N -1.33 0.00 -2.93 1.43 0.00 0.91 -4.92 117.12 110.28 2wh4 n MET 134 Ca 0.07 -0.26 -0.09 0.00 0.00 0.00 0.00 57.70 57.42 2wh4 n MET 134 Cb 0.34 -0.13 0.04 0.00 0.00 0.00 0.00 33.22 33.47 2wh4 n MET 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wh4 n GLY 135 N 0.00 -0.91 2.51 3.17 0.00 -0.15 -3.90 105.19 105.91 2wh4 n GLY 135 Ca 0.00 0.43 -0.21 0.00 0.00 0.00 0.00 46.02 46.24 2wh4 n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh4 s VAL 136 N -3.24 -0.05 0.55 1.61 0.11 -1.07 -1.99 120.40 116.33 2wh4 s VAL 136 Ca 0.28 -2.08 -0.18 0.00 -2.93 0.00 0.00 61.98 57.07 2wh4 s VAL 136 Cb -0.04 -0.90 -0.09 0.00 -1.53 0.00 0.00 36.38 33.82 2wh4 s VAL 136 CO 0.63 -0.88 0.50 -1.84 -3.33 0.00 0.00 175.10 170.18 2wh4 n GLU 137 N 3.04 0.50 -3.44 1.54 0.28 -1.22 -4.55 120.64 116.79 2wh4 n GLU 137 Ca 0.25 0.20 -0.37 0.00 -0.16 0.00 0.00 57.16 57.07 2wh4 n GLU 137 Cb 0.49 -1.66 -0.06 0.00 1.43 0.00 0.00 31.44 31.64 2wh4 n GLU 137 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2wh4 s VAL 138 N -1.71 5.18 -0.47 3.84 -7.23 -1.26 -2.06 120.40 116.69 2wh4 s VAL 138 Ca 0.68 0.80 -0.27 0.00 -1.81 0.00 0.00 61.98 61.38 2wh4 s VAL 138 Cb -0.46 -3.73 0.03 0.00 0.56 0.00 0.00 36.38 32.78 2wh4 s VAL 138 CO 0.55 0.42 1.02 -0.69 -0.31 0.00 0.00 175.10 176.09 2wh4 s VAL 139 N 0.07 4.35 -2.96 1.32 1.01 0.76 -4.89 120.40 120.05 2wh4 s VAL 139 Ca 0.23 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.17 2wh4 s VAL 139 Cb -0.15 -4.51 0.00 0.00 0.00 0.00 0.00 36.38 31.72 2wh4 s VAL 139 CO 0.09 -0.92 0.00 0.61 0.00 0.00 0.00 175.10 174.89 2wh4 n GLY 140 N 4.89 -1.56 0.00 4.51 0.00 -1.26 -1.85 105.19 109.92 2wh4 n GLY 140 Ca 0.09 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2wh4 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32