#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh2 n LYS 2 N 0.00 0.00 -3.75 3.17 5.02 -1.26 -5.14 118.16 116.20 2wh2 n LYS 2 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 2wh2 n LYS 2 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 2wh2 n LYS 2 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2wh2 s LYS 3 N 0.85 3.07 -0.03 1.97 2.20 -1.26 -5.13 119.74 121.40 2wh2 s LYS 3 Ca 0.00 -1.03 0.02 0.00 -0.36 0.00 0.00 55.97 54.60 2wh2 s LYS 3 Cb 0.00 -2.72 0.00 0.00 -1.51 0.00 0.00 37.83 33.61 2wh2 s LYS 3 CO 0.00 0.20 -0.09 0.54 -0.36 0.00 0.00 175.35 175.63 2wh2 s VAL 4 N -2.16 0.81 -0.38 4.02 0.11 -1.26 -5.02 120.40 116.53 2wh2 s VAL 4 Ca 0.40 -0.37 -0.01 0.00 -2.93 0.00 0.00 61.98 59.07 2wh2 s VAL 4 Cb -0.08 -0.73 0.24 0.00 -1.53 0.00 0.00 36.38 34.28 2wh2 s VAL 4 CO 0.29 0.26 1.09 0.55 -3.33 0.00 0.00 175.10 173.95 2wh2 n VAL 5 N 3.35 0.00 -3.17 2.04 3.14 -1.26 -4.98 118.33 117.45 2wh2 n VAL 5 Ca -0.19 -0.72 -0.15 0.00 -2.96 0.00 0.00 64.34 60.33 2wh2 n VAL 5 Cb 0.54 1.02 0.05 0.00 -1.06 0.00 0.00 33.84 34.39 2wh2 n VAL 5 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wh2 n ALA 6 N 1.97 -0.80 -1.56 1.55 0.00 -1.26 -3.88 120.51 116.52 2wh2 n ALA 6 Ca 0.07 0.25 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 2wh2 n ALA 6 Cb 0.66 -3.55 0.08 0.00 0.00 0.00 0.00 19.45 16.65 2wh2 n ALA 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2wh2 s VAL 7 N -3.20 3.30 -0.41 0.00 -7.23 -1.26 -3.39 120.40 108.22 2wh2 s VAL 7 Ca 0.35 0.42 0.07 0.00 -1.81 0.00 0.00 61.98 61.01 2wh2 s VAL 7 Cb -0.16 -3.17 0.17 0.00 0.56 0.00 0.00 36.38 33.79 2wh2 s VAL 7 CO 0.44 -0.55 0.56 0.68 -0.31 0.00 0.00 175.10 175.93 2wh2 s VAL 8 N -3.13 -0.80 0.80 1.32 -7.23 0.10 -4.93 120.40 106.54 2wh2 s VAL 8 Ca 0.60 -0.37 -0.11 0.00 -1.81 0.00 0.00 61.98 60.29 2wh2 s VAL 8 Cb -0.14 -0.20 0.07 0.00 0.56 0.00 0.00 36.38 36.67 2wh2 s VAL 8 CO 0.54 -0.18 1.09 -1.59 -0.31 0.00 0.00 175.10 174.65 2wh2 s LYS 9 N 1.65 2.02 0.00 4.82 -2.85 -1.26 -2.83 119.74 121.28 2wh2 s LYS 9 Ca 0.17 0.93 0.00 0.00 -1.00 0.00 0.00 55.97 56.07 2wh2 s LYS 9 Cb -0.07 -1.89 0.00 0.00 -2.06 0.00 0.00 37.83 33.81 2wh2 s LYS 9 CO -0.06 -1.74 0.00 1.47 0.10 0.00 0.00 175.35 175.12 2wh2 n LEU 10 N -3.56 0.00 -4.87 2.77 -0.00 -1.11 -4.88 117.00 105.35 2wh2 n LEU 10 Ca 0.08 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.75 2wh2 n LEU 10 Cb 0.54 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.91 2wh2 n LEU 10 CO 0.55 0.00 0.14 0.00 -0.00 0.00 0.00 177.39 178.08 2wh2 s GLN 11 N -1.83 3.80 0.03 1.47 -2.07 -1.26 -1.89 119.66 117.89 2wh2 s GLN 11 Ca 0.00 0.23 -0.01 0.00 -1.82 0.00 0.00 55.36 53.76 2wh2 s GLN 11 Cb 0.00 -2.88 -0.02 0.00 -1.09 0.00 0.00 33.01 29.02 2wh2 s GLN 11 CO 0.00 0.47 -0.00 -0.51 -1.32 0.00 0.00 175.29 173.93 2wh2 s LEU 12 N -2.24 2.18 0.00 2.60 1.43 -1.19 -4.94 118.68 116.51 2wh2 s LEU 12 Ca 0.39 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2wh2 s LEU 12 Cb -0.13 0.22 0.00 0.00 0.03 0.00 0.00 46.19 46.30 2wh2 s LEU 12 CO 0.20 -0.38 0.00 -0.81 0.23 0.00 0.00 176.35 175.59 2wh2 n PRO 13 N 1.26 3.16 0.00 1.29 -0.04 -1.26 0.18 135.00 139.59 2wh2 n PRO 13 Ca -0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 2wh2 n PRO 13 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 2wh2 n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wh2 n ALA 14 N -3.00 0.00 0.19 0.55 0.00 -1.12 -4.44 120.51 112.69 2wh2 n ALA 14 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2wh2 n ALA 14 Cb 0.00 0.00 0.38 0.00 0.00 0.00 0.00 19.45 19.83 2wh2 n ALA 14 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2wh2 h GLY 15 N 0.00 0.00 -5.57 0.00 0.00 -1.88 -3.43 103.07 92.19 2wh2 h GLY 15 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 2wh2 h GLY 15 CO 0.00 0.00 1.11 1.17 0.00 0.00 0.00 176.54 178.82 2wh2 n LYS 16 N -3.88 2.36 0.00 4.80 4.81 -1.26 -4.86 118.16 120.13 2wh2 n LYS 16 Ca -0.01 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 2wh2 n LYS 16 Cb 0.43 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.75 2wh2 n LYS 16 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wh2 n ALA 17 N 6.55 0.00 0.00 3.14 0.00 -1.26 -4.37 120.51 124.57 2wh2 n ALA 17 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2wh2 n ALA 17 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2wh2 n ALA 17 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2wh2 n THR 18 N -0.02 0.00 -1.66 0.00 5.66 -1.26 -4.90 114.28 112.09 2wh2 n THR 18 Ca 0.00 0.00 -0.52 0.00 -3.05 0.00 0.00 64.05 60.48 2wh2 n THR 18 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 2wh2 n THR 18 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2wh2 n PRO 19 N 0.00 1.50 -0.34 1.09 -0.04 -1.26 -4.06 135.00 131.89 2wh2 n PRO 19 Ca 0.00 0.54 0.21 0.00 -0.04 0.00 0.00 63.50 64.21 2wh2 n PRO 19 Cb 0.00 -2.26 0.43 0.00 -0.04 0.00 0.00 33.50 31.63 2wh2 n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wh2 h ALA 20 N 6.47 1.86 -0.06 0.55 0.00 -1.94 -2.70 119.26 123.44 2wh2 h ALA 20 Ca -0.47 0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.62 2wh2 h ALA 20 Cb 1.31 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 2wh2 h ALA 20 CO 0.89 -0.43 -0.31 -1.35 0.00 0.00 0.00 179.25 178.05 2wh2 h PRO 21 N 0.44 -0.33 0.26 0.00 0.11 -1.98 -3.26 132.00 127.23 2wh2 h PRO 21 Ca 0.69 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.81 2wh2 h PRO 21 Cb 1.45 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.64 2wh2 h PRO 21 CO -0.55 -0.22 -0.12 -1.35 -0.21 0.00 0.00 178.00 175.55 2wh2 h PRO 22 N -0.34 -0.33 0.00 1.05 0.11 -1.86 -3.46 132.00 127.16 2wh2 h PRO 22 Ca 0.02 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2wh2 h PRO 22 Cb 0.39 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.58 2wh2 h PRO 22 CO -0.24 -0.22 0.00 1.33 -0.21 0.00 0.00 178.00 178.66 2wh2 n VAL 23 N -3.11 0.00 0.00 3.15 0.24 -1.06 -4.66 118.33 112.89 2wh2 n VAL 23 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 2wh2 n VAL 23 Cb 0.14 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 2wh2 n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wh2 n GLY 24 N 4.26 2.10 0.32 7.63 0.00 -1.23 0.92 105.19 119.20 2wh2 n GLY 24 Ca 0.00 0.43 0.16 0.00 0.00 0.00 0.00 46.02 46.61 2wh2 n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wh2 h PRO 25 N 0.00 0.00 -0.98 1.61 0.11 -1.91 -2.43 132.00 128.40 2wh2 h PRO 25 Ca 0.00 0.00 0.28 0.00 0.11 0.00 0.00 66.00 66.39 2wh2 h PRO 25 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 2wh2 h PRO 25 CO 0.00 0.00 0.94 0.00 -0.21 0.00 0.00 178.00 178.73 2wh2 h ALA 26 N 1.46 2.84 0.00 -0.75 0.00 0.30 -2.43 119.26 120.68 2wh2 h ALA 26 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2wh2 h ALA 26 Cb 0.53 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2wh2 h ALA 26 CO 0.00 -1.45 0.00 1.47 0.00 0.00 0.00 179.25 179.27 2wh2 n LEU 27 N -3.63 0.00 0.24 0.00 -0.00 -0.96 -4.80 117.00 107.85 2wh2 n LEU 27 Ca 0.21 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.36 2wh2 n LEU 27 Cb 1.26 0.00 0.47 0.00 -0.00 0.00 0.00 43.42 45.15 2wh2 n LEU 27 CO 0.30 0.00 0.88 1.23 -0.00 0.00 0.00 177.39 179.80 2wh2 h GLY 28 N 0.00 0.00 1.29 1.47 0.00 -1.16 -3.04 103.07 101.63 2wh2 h GLY 28 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 2wh2 h GLY 28 CO 0.00 0.00 -0.58 1.46 0.00 0.00 0.00 176.54 177.42 2wh2 h GLN 29 N 0.00 0.74 -1.23 4.80 1.08 -1.71 -2.64 115.11 116.15 2wh2 h GLN 29 Ca -0.00 -0.49 -0.15 0.00 -1.45 0.00 0.00 58.65 56.56 2wh2 h GLN 29 Cb 0.73 0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 28.15 2wh2 h GLN 29 CO 0.01 1.11 0.19 0.72 -0.95 0.00 0.00 178.83 179.91 2wh2 n HIS 30 N -3.97 0.80 -2.81 2.96 8.25 -1.15 -4.90 115.22 114.40 2wh2 n HIS 30 Ca -0.04 -1.06 -0.03 0.00 -0.26 0.00 0.00 57.72 56.33 2wh2 n HIS 30 Cb 0.64 -0.53 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 2wh2 n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wh2 n GLY 31 N 0.33 -3.11 2.97 -1.41 0.00 -0.99 -4.90 105.19 98.08 2wh2 n GLY 31 Ca 0.16 0.96 -0.06 0.00 0.00 0.00 0.00 46.02 47.08 2wh2 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh2 n ALA 32 N 1.82 -1.61 -2.80 4.61 0.00 -1.24 -4.23 120.51 117.06 2wh2 n ALA 32 Ca -0.21 -0.94 -0.37 0.00 0.00 0.00 0.00 53.44 51.92 2wh2 n ALA 32 Cb 0.37 0.69 -0.11 0.00 0.00 0.00 0.00 19.45 20.39 2wh2 n ALA 32 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2wh2 s ASN 33 N -2.71 5.65 0.00 0.00 0.01 -1.26 -4.76 114.94 111.87 2wh2 s ASN 33 Ca 0.14 -0.05 0.28 0.00 -0.71 0.00 0.00 52.86 52.52 2wh2 s ASN 33 Cb -0.03 -2.02 1.02 0.00 0.41 0.00 0.00 41.25 40.62 2wh2 s ASN 33 CO 0.08 0.00 1.77 -0.38 -1.51 0.00 0.00 177.10 177.06 2wh2 n ILE 34 N 4.68 0.00 -0.02 0.60 2.08 -1.26 -3.50 119.36 121.93 2wh2 n ILE 34 Ca -0.15 -0.00 -0.00 0.00 0.56 0.00 0.00 62.75 63.15 2wh2 n ILE 34 Cb 0.52 -0.25 -0.00 0.00 -0.75 0.00 0.00 39.64 39.16 2wh2 n ILE 34 CO 0.00 0.00 0.00 -0.03 0.56 0.00 0.00 176.55 177.08 2wh2 h MET 35 N 0.02 0.00 0.00 0.38 1.85 -1.99 -1.52 114.93 113.67 2wh2 h MET 35 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 2wh2 h MET 35 Cb 0.49 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.52 2wh2 h MET 35 CO 0.00 0.00 0.00 -1.91 -0.40 0.00 0.00 176.91 174.60 2wh2 n GLU 36 N -3.20 0.11 0.00 0.39 2.13 -1.25 -2.52 120.64 116.29 2wh2 n GLU 36 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 2wh2 n GLU 36 Cb 0.02 -1.05 0.00 0.00 0.27 0.00 0.00 31.44 30.68 2wh2 n GLU 36 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2wh2 n PHE 37 N -0.55 0.00 -0.25 4.31 7.35 -1.23 -4.28 117.46 122.81 2wh2 n PHE 37 Ca 0.00 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.81 2wh2 n PHE 37 Cb 0.00 0.00 0.39 0.00 0.35 0.00 0.00 39.48 40.22 2wh2 n PHE 37 CO 0.00 0.00 0.00 -0.24 -0.76 0.00 0.00 176.76 175.76 2wh2 h VAL 38 N 0.00 0.84 0.01 -2.13 3.04 -0.97 0.74 116.25 117.78 2wh2 h VAL 38 Ca 0.00 -0.23 -0.41 0.00 -1.01 0.00 0.00 66.70 65.05 2wh2 h VAL 38 Cb 0.49 0.12 -0.06 0.00 -2.01 0.00 0.00 31.29 29.83 2wh2 h VAL 38 CO 0.00 0.12 -2.36 0.29 -1.01 0.00 0.00 177.57 174.61 2wh2 n LYS 39 N -4.54 0.61 0.02 4.17 5.02 -1.23 -3.65 118.16 118.56 2wh2 n LYS 39 Ca 0.16 0.27 0.22 0.00 -2.02 0.00 0.00 58.31 56.94 2wh2 n LYS 39 Cb 0.46 -1.54 0.69 0.00 -0.02 0.00 0.00 35.03 34.62 2wh2 n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wh2 h ALA 40 N -0.60 2.30 0.00 7.82 0.00 -1.72 0.23 119.26 127.29 2wh2 h ALA 40 Ca -0.62 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 2wh2 h ALA 40 Cb 1.69 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2wh2 h ALA 40 CO -0.28 -0.88 -0.00 0.35 0.00 0.00 0.00 179.25 178.44 2wh2 h PHE 41 N 0.00 -0.00 0.00 0.00 3.57 -1.02 -3.28 116.94 116.21 2wh2 h PHE 41 Ca 0.26 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2wh2 h PHE 41 Cb 1.45 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.19 2wh2 h PHE 41 CO 0.00 0.64 0.00 0.09 -2.23 0.00 0.00 178.31 176.81 2wh2 n ASN 42 N -4.68 0.93 -0.01 0.41 3.02 0.73 -1.26 115.26 114.40 2wh2 n ASN 42 Ca -0.07 -1.02 0.09 0.00 -0.03 0.00 0.00 54.58 53.55 2wh2 n ASN 42 Cb 0.31 -0.26 -0.14 0.00 -0.61 0.00 0.00 39.78 39.09 2wh2 n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wh2 n ALA 43 N 0.45 2.87 0.00 5.41 0.00 -0.75 -4.13 120.51 124.36 2wh2 n ALA 43 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2wh2 n ALA 43 Cb 0.18 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.01 2wh2 n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh2 n ALA 44 N -2.04 1.92 0.12 0.00 0.00 -0.39 -4.47 120.51 115.66 2wh2 n ALA 44 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.20 2wh2 n ALA 44 Cb 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.75 2wh2 n ALA 44 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2wh2 h THR 45 N 0.00 1.35 0.00 0.00 2.02 -1.69 -2.69 112.91 111.90 2wh2 h THR 45 Ca 0.00 -2.76 -0.05 0.00 0.77 0.00 0.00 66.41 64.36 2wh2 h THR 45 Cb 0.00 2.93 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 2wh2 h THR 45 CO 0.00 0.82 -0.25 0.00 0.37 0.00 0.00 175.52 176.46 2wh2 h ALA 46 N 0.33 1.04 0.01 6.16 0.00 -1.75 -2.36 119.26 122.70 2wh2 h ALA 46 Ca -0.20 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 2wh2 h ALA 46 Cb 2.05 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.79 2wh2 h ALA 46 CO 0.24 0.31 -0.20 -0.97 0.00 0.00 0.00 179.25 178.64 2wh2 h ASN 47 N 0.00 0.04 0.07 0.00 -1.24 -1.77 -3.40 115.58 109.28 2wh2 h ASN 47 Ca -0.00 -0.94 -0.15 0.00 0.71 0.00 0.00 56.30 55.91 2wh2 h ASN 47 Cb 0.75 -0.01 0.02 0.00 0.73 0.00 0.00 38.32 39.80 2wh2 h ASN 47 CO 0.03 1.08 -0.65 0.00 -1.29 0.00 0.00 177.43 176.61 2wh2 h MET 48 N -0.95 0.31 0.00 6.67 -0.00 -1.55 -3.50 114.93 115.90 2wh2 h MET 48 Ca -0.05 -0.43 0.00 0.00 -0.00 0.00 0.00 59.70 59.22 2wh2 h MET 48 Cb 1.08 0.15 0.00 0.00 -0.00 0.00 0.00 31.60 32.83 2wh2 h MET 48 CO -0.01 1.16 0.00 0.41 -0.00 0.00 0.00 176.91 178.46 2wh2 n GLY 49 N 1.41 0.59 2.66 -3.00 0.00 -0.89 -5.07 105.19 100.90 2wh2 n GLY 49 Ca -0.12 0.39 -0.04 0.00 0.00 0.00 0.00 46.02 46.25 2wh2 n GLY 49 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wh2 n ASP 50 N 0.00 -1.20 0.00 1.61 5.68 -1.26 -4.30 116.55 117.08 2wh2 n ASP 50 Ca 0.00 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.52 2wh2 n ASP 50 Cb 0.00 1.07 0.00 0.00 -1.14 0.00 0.00 41.12 41.05 2wh2 n ASP 50 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wh2 n ALA 51 N -0.15 0.00 -3.33 2.12 0.00 -1.26 -4.38 120.51 113.51 2wh2 n ALA 51 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.14 2wh2 n ALA 51 Cb 0.69 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.08 2wh2 n ALA 51 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2wh2 s ILE 52 N 1.30 -0.56 -0.43 0.00 1.10 -1.26 -2.81 121.20 118.53 2wh2 s ILE 52 Ca 0.00 -0.45 -0.17 0.00 -0.51 0.00 0.00 60.65 59.52 2wh2 s ILE 52 Cb 0.00 -0.88 0.03 0.00 0.15 0.00 0.00 42.46 41.76 2wh2 s ILE 52 CO 0.00 -0.36 0.45 0.68 -2.11 0.00 0.00 174.94 173.60 2wh2 s VAL 53 N 2.26 5.08 -0.56 4.00 -7.23 0.13 -3.71 120.40 120.37 2wh2 s VAL 53 Ca 0.11 -0.44 -0.26 0.00 -1.81 0.00 0.00 61.98 59.59 2wh2 s VAL 53 Cb -0.13 -4.07 -0.05 0.00 0.56 0.00 0.00 36.38 32.69 2wh2 s VAL 53 CO -0.24 -0.48 2.17 -2.16 -0.31 0.00 0.00 175.10 174.08 2wh2 s PRO 54 N 2.14 2.31 -0.34 4.82 0.04 -1.26 -3.16 135.00 139.55 2wh2 s PRO 54 Ca 0.12 1.01 -0.06 0.00 0.04 0.00 0.00 61.00 62.11 2wh2 s PRO 54 Cb -0.18 -4.52 0.04 0.00 0.04 0.00 0.00 34.50 29.88 2wh2 s PRO 54 CO 0.13 -3.10 0.10 0.54 0.04 0.00 0.00 177.00 174.72 2wh2 s VAL 55 N 10.96 3.74 -0.27 -0.36 0.11 -0.79 -2.45 120.40 131.34 2wh2 s VAL 55 Ca 0.84 -1.16 -0.16 0.00 -2.93 0.00 0.00 61.98 58.57 2wh2 s VAL 55 Cb -0.15 -3.13 -0.03 0.00 -1.53 0.00 0.00 36.38 31.54 2wh2 s VAL 55 CO 0.23 -0.19 0.43 -1.83 -3.33 0.00 0.00 175.10 170.41 2wh2 s GLU 56 N 1.39 4.03 -0.17 1.54 -1.05 -0.97 -2.77 118.70 120.70 2wh2 s GLU 56 Ca -0.02 0.15 -0.06 0.00 -0.15 0.00 0.00 54.97 54.89 2wh2 s GLU 56 Cb -0.20 -3.66 -0.04 0.00 -0.44 0.00 0.00 34.13 29.80 2wh2 s GLU 56 CO 0.02 -0.32 0.05 0.42 0.95 0.00 0.00 175.26 176.39 2wh2 s ILE 57 N 2.17 4.66 0.35 1.83 1.09 -1.13 -2.41 121.20 127.77 2wh2 s ILE 57 Ca 0.17 -0.08 0.02 0.00 -1.10 0.00 0.00 60.65 59.66 2wh2 s ILE 57 Cb -0.16 -3.08 -0.02 0.00 -1.06 0.00 0.00 42.46 38.14 2wh2 s ILE 57 CO 0.10 0.49 0.53 -0.89 -0.10 0.00 0.00 174.94 175.07 2wh2 s THR 58 N 0.16 4.73 0.04 2.92 2.01 -1.26 0.01 115.64 124.26 2wh2 s THR 58 Ca 0.04 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.42 2wh2 s THR 58 Cb -0.12 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 2wh2 s THR 58 CO 0.01 -0.41 -0.07 -0.63 -0.69 0.00 0.00 174.62 172.83 2wh2 s ILE 59 N -2.30 0.46 0.40 1.82 1.01 -1.22 -3.29 121.20 118.09 2wh2 s ILE 59 Ca 0.42 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 60.09 2wh2 s ILE 59 Cb -0.10 -0.53 -0.01 0.00 0.01 0.00 0.00 42.46 41.83 2wh2 s ILE 59 CO 0.35 -0.38 0.13 -1.22 0.00 0.00 0.00 174.94 173.82 2wh2 n TYR 60 N 1.56 0.21 0.06 3.97 4.01 -1.23 -4.51 117.16 121.23 2wh2 n TYR 60 Ca -0.23 -2.54 0.01 0.00 -0.16 0.00 0.00 57.90 54.98 2wh2 n TYR 60 Cb 0.55 -0.03 0.32 0.00 -0.31 0.00 0.00 39.34 39.87 2wh2 n TYR 60 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wh2 h ALA 61 N 1.63 1.38 0.00 -0.72 0.00 -1.95 -2.76 119.26 116.85 2wh2 h ALA 61 Ca -0.32 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2wh2 h ALA 61 Cb 1.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2wh2 h ALA 61 CO 0.50 0.42 0.00 -0.25 0.00 0.00 0.00 179.25 179.93 2wh2 n ASP 62 N -4.24 3.41 -2.58 0.00 8.00 -1.26 -4.71 116.55 115.17 2wh2 n ASP 62 Ca 0.00 -1.91 -0.05 0.00 0.71 0.00 0.00 54.79 53.53 2wh2 n ASP 62 Cb 0.29 -0.66 -0.01 0.00 -0.02 0.00 0.00 41.12 40.72 2wh2 n ASP 62 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2wh2 n ARG 63 N 1.01 -2.51 -1.65 -1.24 -4.01 -1.04 -4.85 116.66 102.36 2wh2 n ARG 63 Ca 0.00 0.02 -0.21 0.00 -1.04 0.00 0.00 57.85 56.62 2wh2 n ARG 63 Cb 0.42 -4.09 0.14 0.00 -3.04 0.00 0.00 32.46 25.90 2wh2 n ARG 63 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2wh2 n SER 64 N -1.46 0.36 -3.65 2.89 2.88 -1.25 -4.30 113.62 109.08 2wh2 n SER 64 Ca 0.02 -1.52 0.01 0.00 -1.33 0.00 0.00 58.87 56.05 2wh2 n SER 64 Cb 0.44 -0.70 -0.00 0.00 -0.75 0.00 0.00 64.21 63.20 2wh2 n SER 64 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2wh2 s PHE 65 N -2.98 -0.03 -0.41 0.66 -0.12 -1.25 -3.47 117.98 110.37 2wh2 s PHE 65 Ca 0.56 -0.10 0.08 0.00 -0.05 0.00 0.00 56.93 57.42 2wh2 s PHE 65 Cb -0.02 0.56 0.25 0.00 -0.63 0.00 0.00 43.02 43.19 2wh2 s PHE 65 CO 0.39 -0.35 0.59 -2.37 -0.05 0.00 0.00 175.22 173.43 2wh2 n THR 66 N -0.56 -0.56 -1.84 -4.49 5.66 -1.21 -4.91 114.28 106.38 2wh2 n THR 66 Ca -0.06 -3.56 -0.23 0.00 -3.05 0.00 0.00 64.05 57.15 2wh2 n THR 66 Cb 0.62 -1.28 -0.05 0.00 -1.55 0.00 0.00 70.33 68.07 2wh2 n THR 66 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2wh2 s PHE 67 N -0.86 1.50 -0.13 1.09 -0.71 -1.26 -4.08 117.98 113.53 2wh2 s PHE 67 Ca 0.34 1.21 -0.28 0.00 -1.04 0.00 0.00 56.93 57.17 2wh2 s PHE 67 Cb 0.19 -3.79 -0.01 0.00 -1.21 0.00 0.00 43.02 38.19 2wh2 s PHE 67 CO -0.13 -1.78 0.94 0.08 -1.34 0.00 0.00 175.22 172.99 2wh2 s VAL 68 N 11.90 4.82 0.10 -2.49 1.01 -1.01 -4.90 120.40 129.82 2wh2 s VAL 68 Ca 0.80 1.89 -0.06 0.00 0.00 0.00 0.00 61.98 64.61 2wh2 s VAL 68 Cb -0.10 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 2wh2 s VAL 68 CO 0.06 0.01 0.36 -0.89 0.00 0.00 0.00 175.10 174.64 2wh2 s THR 69 N 2.06 5.18 0.30 3.92 2.01 -1.26 -2.30 115.64 125.55 2wh2 s THR 69 Ca 0.44 0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.65 2wh2 s THR 69 Cb -0.18 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 2wh2 s THR 69 CO 0.16 0.16 0.21 0.29 -0.69 0.00 0.00 174.62 174.74 2wh2 n LYS 70 N 0.48 0.42 -2.51 4.92 5.02 -1.03 -5.00 118.16 120.46 2wh2 n LYS 70 Ca -0.05 -2.84 -0.38 0.00 -2.02 0.00 0.00 58.31 53.02 2wh2 n LYS 70 Cb 0.52 2.10 -0.04 0.00 -0.02 0.00 0.00 35.03 37.59 2wh2 n LYS 70 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wh2 s THR 71 N -3.06 3.61 0.51 -0.18 -4.23 -1.26 -4.02 115.64 107.01 2wh2 s THR 71 Ca 0.29 1.36 -0.21 0.00 -1.18 0.00 0.00 61.69 61.95 2wh2 s THR 71 Cb 0.01 -3.77 -0.08 0.00 1.34 0.00 0.00 72.50 70.01 2wh2 s THR 71 CO 0.21 0.13 0.91 -0.81 -0.54 0.00 0.00 174.62 174.51 2wh2 n PRO 72 N 0.35 1.04 -1.51 3.99 -0.04 -1.24 -4.47 135.00 133.12 2wh2 n PRO 72 Ca 0.03 0.39 -0.53 0.00 -0.04 0.00 0.00 63.50 63.35 2wh2 n PRO 72 Cb 0.48 -2.02 -0.05 0.00 -0.04 0.00 0.00 33.50 31.86 2wh2 n PRO 72 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2wh2 n PRO 73 N -0.29 0.43 0.00 0.54 -0.02 -1.26 -4.70 135.00 129.70 2wh2 n PRO 73 Ca 0.11 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2wh2 n PRO 73 Cb 0.43 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2wh2 n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wh2 n ALA 74 N 1.22 0.83 0.69 3.55 0.00 -1.26 0.25 120.51 125.79 2wh2 n ALA 74 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.75 2wh2 n ALA 74 Cb 0.18 -0.75 0.33 0.00 0.00 0.00 0.00 19.45 19.20 2wh2 n ALA 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wh2 n SER 75 N -1.27 0.64 -0.09 0.00 2.88 -1.26 -3.45 113.62 111.08 2wh2 n SER 75 Ca 0.00 0.32 -0.15 0.00 -1.33 0.00 0.00 58.87 57.71 2wh2 n SER 75 Cb 0.10 -0.30 -0.08 0.00 -0.75 0.00 0.00 64.21 63.18 2wh2 n SER 75 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2wh2 h TYR 76 N 0.00 0.00 -0.42 0.66 3.20 -0.51 -3.22 116.97 116.68 2wh2 h TYR 76 Ca 0.00 0.00 0.12 0.00 3.14 0.00 0.00 58.73 61.99 2wh2 h TYR 76 Cb 0.69 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 2wh2 h TYR 76 CO 0.00 0.90 0.33 -0.07 -1.64 0.00 0.00 178.16 177.68 2wh2 h LEU 77 N -1.00 0.00 0.03 2.82 3.38 -1.72 0.51 115.31 119.33 2wh2 h LEU 77 Ca -0.20 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.54 2wh2 h LEU 77 Cb 0.97 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2wh2 h LEU 77 CO -0.12 0.00 -1.11 -0.29 0.09 0.00 0.00 178.44 177.01 2wh2 h ILE 78 N 0.00 1.61 0.00 1.22 2.10 -1.72 -3.20 117.51 117.52 2wh2 h ILE 78 Ca 0.20 -3.29 0.00 0.00 1.08 0.00 0.00 64.86 62.85 2wh2 h ILE 78 Cb 0.86 2.84 0.00 0.00 -1.09 0.00 0.00 36.82 39.43 2wh2 h ILE 78 CO -0.00 0.93 0.00 0.54 -1.08 0.00 0.00 178.15 178.54 2wh2 n ARG 79 N -3.37 0.00 0.04 2.19 1.74 0.16 -3.26 116.66 114.16 2wh2 n ARG 79 Ca -0.03 0.13 0.20 0.00 -0.77 0.00 0.00 57.85 57.38 2wh2 n ARG 79 Cb 0.97 -1.00 0.53 0.00 -1.02 0.00 0.00 32.46 31.94 2wh2 n ARG 79 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 2wh2 h LYS 80 N 0.00 0.00 0.00 5.56 2.10 -1.73 0.63 116.57 123.13 2wh2 h LYS 80 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2wh2 h LYS 80 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2wh2 h LYS 80 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.45 2wh2 n ALA 81 N -2.12 1.17 -0.81 0.07 0.00 -1.20 -2.32 120.51 115.31 2wh2 n ALA 81 Ca 0.11 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2wh2 n ALA 81 Cb 0.99 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2wh2 n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh2 n ALA 82 N -1.77 0.62 -2.28 0.00 0.00 0.21 -4.89 120.51 112.40 2wh2 n ALA 82 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 53.44 53.20 2wh2 n ALA 82 Cb 0.07 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.55 2wh2 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh2 n GLY 83 N -0.02 -0.27 3.00 0.00 0.00 -0.71 -4.77 105.19 102.42 2wh2 n GLY 83 Ca 0.00 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 2wh2 n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wh2 s LEU 84 N -3.72 1.53 0.00 0.99 1.43 -1.22 -4.99 118.68 112.71 2wh2 s LEU 84 Ca 0.14 -0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2wh2 s LEU 84 Cb -0.02 -0.96 -0.00 0.00 0.03 0.00 0.00 46.19 45.24 2wh2 s LEU 84 CO 0.34 -0.03 0.81 -0.33 0.23 0.00 0.00 176.35 177.37 2wh2 h GLU 85 N 7.62 -0.01 0.00 1.70 5.08 -1.97 -3.40 114.58 123.59 2wh2 h GLU 85 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2wh2 h GLU 85 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2wh2 h GLU 85 CO 0.47 -0.01 0.00 1.63 -1.00 0.00 0.00 179.01 180.10 2wh2 n LYS 86 N -2.03 1.68 0.00 2.33 4.76 -1.26 -5.06 118.16 118.58 2wh2 n LYS 86 Ca -0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wh2 n LYS 86 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2wh2 n LYS 86 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wh2 n GLY 87 N 5.00 0.66 0.00 0.72 0.00 -1.26 -5.04 105.19 105.28 2wh2 n GLY 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wh2 n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh2 n ALA 88 N -1.03 0.00 -0.34 4.61 0.00 -1.25 -4.75 120.51 117.75 2wh2 n ALA 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wh2 n ALA 88 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wh2 n ALA 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wh2 n HIS 89 N 0.00 0.00 -3.54 0.00 8.25 -1.26 -4.53 115.22 114.14 2wh2 n HIS 89 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 2wh2 n HIS 89 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 2wh2 n HIS 89 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2wh2 s LYS 90 N 0.00 2.67 0.00 -0.41 -2.85 -1.26 -5.06 119.74 112.83 2wh2 s LYS 90 Ca 0.00 -1.97 0.00 0.00 -1.00 0.00 0.00 55.97 53.00 2wh2 s LYS 90 Cb 0.00 -3.98 0.00 0.00 -2.06 0.00 0.00 37.83 31.79 2wh2 s LYS 90 CO 0.00 -1.21 0.00 -2.30 0.10 0.00 0.00 175.35 171.94 2wh2 n PRO 91 N 4.58 1.44 -0.46 1.78 -0.02 -1.26 -4.28 135.00 136.79 2wh2 n PRO 91 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2wh2 n PRO 91 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.89 2wh2 n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wh2 n GLY 92 N 2.45 0.30 0.00 -1.23 0.00 -1.26 -4.37 105.19 101.08 2wh2 n GLY 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wh2 n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wh2 n ARG 93 N -2.00 0.00 -3.57 1.61 0.00 -1.26 -5.08 116.66 106.36 2wh2 n ARG 93 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 2wh2 n ARG 93 Cb 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 32.46 32.18 2wh2 n ARG 93 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2wh2 s GLU 94 N -1.00 3.04 -1.17 -0.14 2.12 -1.26 -5.02 118.70 115.28 2wh2 s GLU 94 Ca 0.00 -0.94 -0.10 0.00 0.36 0.00 0.00 54.97 54.29 2wh2 s GLU 94 Cb 0.00 -3.77 0.23 0.00 0.26 0.00 0.00 34.13 30.86 2wh2 s GLU 94 CO 0.00 -0.62 1.40 1.63 -0.54 0.00 0.00 175.26 177.12 2wh2 n LYS 95 N 5.05 3.67 -0.32 4.30 4.01 -1.26 -4.49 118.16 129.12 2wh2 n LYS 95 Ca -0.12 -4.15 0.17 0.00 -0.51 0.00 0.00 58.31 53.70 2wh2 n LYS 95 Cb 0.47 -2.75 0.32 0.00 -0.51 0.00 0.00 35.03 32.56 2wh2 n LYS 95 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2wh2 n VAL 96 N 3.14 -0.39 -4.15 -0.18 0.31 -0.87 -4.60 118.33 111.59 2wh2 n VAL 96 Ca 0.31 2.03 -0.14 0.00 -0.01 0.00 0.00 64.34 66.53 2wh2 n VAL 96 Cb 0.39 -3.02 -0.07 0.00 -0.91 0.00 0.00 33.84 30.22 2wh2 n VAL 96 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2wh2 s GLY 97 N -4.32 1.44 0.12 2.92 0.00 -1.26 -5.10 107.32 101.12 2wh2 s GLY 97 Ca -0.11 -1.56 -0.04 0.00 0.00 0.00 0.00 44.72 43.00 2wh2 s GLY 97 CO 0.73 -1.15 0.13 1.09 0.00 0.00 0.00 173.10 173.90 2wh2 s ARG 98 N -3.70 0.93 0.10 2.90 1.70 -1.26 -3.42 118.95 116.20 2wh2 s ARG 98 Ca 0.34 -1.26 0.04 0.00 -0.47 0.00 0.00 55.73 54.38 2wh2 s ARG 98 Cb 0.03 0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 34.66 2wh2 s ARG 98 CO 0.17 -0.28 -0.11 0.42 -1.08 0.00 0.00 175.30 174.41 2wh2 s ILE 99 N -3.98 1.02 0.24 4.99 -1.09 -0.85 -4.64 121.20 116.89 2wh2 s ILE 99 Ca 0.16 -1.67 -0.00 0.00 -2.23 0.00 0.00 60.65 56.91 2wh2 s ILE 99 Cb 0.06 -1.41 -0.04 0.00 -1.58 0.00 0.00 42.46 39.49 2wh2 s ILE 99 CO -0.03 -0.54 0.43 0.42 -1.23 0.00 0.00 174.94 173.99 2wh2 s THR 100 N -2.43 5.18 0.43 2.92 -4.23 -1.26 0.28 115.64 116.53 2wh2 s THR 100 Ca 0.07 -0.40 0.16 0.00 -1.18 0.00 0.00 61.69 60.33 2wh2 s THR 100 Cb -0.03 -3.77 0.16 0.00 1.34 0.00 0.00 72.50 70.20 2wh2 s THR 100 CO 0.01 -0.27 1.42 -0.50 -0.54 0.00 0.00 174.62 174.74 2wh2 h TRP 101 N 1.69 0.00 0.00 3.99 4.06 -1.73 -0.52 115.95 123.44 2wh2 h TRP 101 Ca -0.49 0.00 -0.42 0.00 2.06 0.00 0.00 58.89 60.04 2wh2 h TRP 101 Cb 1.20 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.30 2wh2 h TRP 101 CO 0.54 0.00 -2.34 -0.85 -3.56 0.00 0.00 178.44 172.23 2wh2 n GLU 102 N -2.44 0.59 -0.15 0.49 0.28 -1.26 -3.66 120.64 114.50 2wh2 n GLU 102 Ca -0.01 0.30 0.26 0.00 -0.16 0.00 0.00 57.16 57.55 2wh2 n GLU 102 Cb 0.53 -1.54 0.69 0.00 1.43 0.00 0.00 31.44 32.55 2wh2 n GLU 102 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 2wh2 h GLN 103 N -0.89 0.04 -0.07 3.44 4.20 -1.52 0.63 115.11 120.94 2wh2 h GLN 103 Ca -0.64 -0.00 -0.20 0.00 0.06 0.00 0.00 58.65 57.87 2wh2 h GLN 103 Cb 1.60 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 29.39 2wh2 h GLN 103 CO -0.36 0.03 -0.75 -0.24 -0.67 0.00 0.00 178.83 176.84 2wh2 h VAL 104 N 0.04 1.32 -0.92 -0.54 3.04 -1.46 -3.19 116.25 114.55 2wh2 h VAL 104 Ca 0.39 -2.03 -0.01 0.00 -1.01 0.00 0.00 66.70 64.05 2wh2 h VAL 104 Cb 1.50 2.25 -0.04 0.00 -2.01 0.00 0.00 31.29 32.99 2wh2 h VAL 104 CO -0.02 0.62 0.54 0.25 -1.01 0.00 0.00 177.57 177.95 2wh2 h LEU 105 N 0.29 1.11 0.08 3.16 6.46 0.06 -1.59 115.31 124.88 2wh2 h LEU 105 Ca -0.07 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.62 2wh2 h LEU 105 Cb 1.41 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 41.03 2wh2 h LEU 105 CO 0.15 0.86 -0.27 -0.33 -0.62 0.00 0.00 178.44 178.24 2wh2 h GLU 106 N 1.27 -0.38 -0.76 1.25 5.08 -0.84 -1.89 114.58 118.30 2wh2 h GLU 106 Ca 0.33 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.89 2wh2 h GLU 106 Cb -0.03 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.18 2wh2 h GLU 106 CO -0.06 -0.25 0.13 0.82 -1.00 0.00 0.00 179.01 178.65 2wh2 h ILE 107 N -0.39 0.42 -1.01 3.13 2.04 -1.51 0.28 117.51 120.46 2wh2 h ILE 107 Ca -0.01 -0.07 0.28 0.00 1.00 0.00 0.00 64.86 66.06 2wh2 h ILE 107 Cb 0.39 0.20 -0.13 0.00 -0.74 0.00 0.00 36.82 36.54 2wh2 h ILE 107 CO -0.13 0.04 0.60 0.00 0.00 0.00 0.00 178.15 178.65 2wh2 h ALA 108 N 1.67 1.90 -0.46 1.87 0.00 -0.53 0.83 119.26 124.55 2wh2 h ALA 108 Ca 0.44 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.41 2wh2 h ALA 108 Cb 0.78 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2wh2 h ALA 108 CO -0.59 -0.42 -0.05 0.87 0.00 0.00 0.00 179.25 179.06 2wh2 h LYS 109 N 0.47 0.80 0.00 0.00 1.57 0.19 -0.35 116.57 119.24 2wh2 h LYS 109 Ca 0.68 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 59.19 2wh2 h LYS 109 Cb 1.43 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.65 2wh2 h LYS 109 CO -0.51 0.84 -0.15 0.37 -0.57 0.00 0.00 179.45 179.43 2wh2 h GLN 110 N 0.73 0.00 -0.01 3.15 4.15 0.87 -3.24 115.11 120.77 2wh2 h GLN 110 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.55 2wh2 h GLN 110 Cb 0.52 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.21 2wh2 h GLN 110 CO 0.03 0.15 -0.05 1.63 -1.93 0.00 0.00 178.83 178.67 2wh2 n LYS 111 N -3.30 0.82 0.29 1.69 5.02 -0.63 -4.64 118.16 117.41 2wh2 n LYS 111 Ca 0.00 -0.70 0.20 0.00 -2.02 0.00 0.00 58.31 55.80 2wh2 n LYS 111 Cb 0.40 -1.05 1.04 0.00 -0.02 0.00 0.00 35.03 35.40 2wh2 n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wh2 h MET 112 N 0.95 0.00 -0.00 1.97 -0.00 -1.09 -0.69 114.93 116.07 2wh2 h MET 112 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2wh2 h MET 112 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.82 2wh2 h MET 112 CO 0.00 0.00 -0.07 -0.35 -0.00 0.00 0.00 176.91 176.49 2wh2 n PRO 113 N -2.90 0.20 -0.12 -0.10 -0.04 -1.26 -3.80 135.00 126.98 2wh2 n PRO 113 Ca -0.02 -0.03 -0.15 0.00 -0.04 0.00 0.00 63.50 63.25 2wh2 n PRO 113 Cb 0.09 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.92 2wh2 n PRO 113 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wh2 n ASP 114 N -1.37 1.35 0.00 3.54 8.00 -0.29 -4.96 116.55 122.81 2wh2 n ASP 114 Ca 0.10 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2wh2 n ASP 114 Cb 0.31 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 2wh2 n ASP 114 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wh2 n LEU 115 N -3.10 0.00 -1.34 0.64 4.77 -1.06 -5.02 117.00 111.89 2wh2 n LEU 115 Ca -0.42 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.56 2wh2 n LEU 115 Cb 1.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 2wh2 n LEU 115 CO 0.31 0.00 0.21 -3.20 -1.33 0.00 0.00 177.39 173.38 2wh2 n ASN 116 N 0.00 -0.01 -3.36 -1.43 2.85 -1.26 -5.09 115.26 106.96 2wh2 n ASN 116 Ca 0.00 -0.84 -0.15 0.00 -0.11 0.00 0.00 54.58 53.48 2wh2 n ASN 116 Cb 0.00 0.01 -0.08 0.00 1.24 0.00 0.00 39.78 40.95 2wh2 n ASN 116 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2wh2 s THR 117 N 0.00 -0.41 0.18 -0.44 -4.23 -1.26 -5.04 115.64 104.44 2wh2 s THR 117 Ca 0.00 -0.75 -0.21 0.00 -1.18 0.00 0.00 61.69 59.55 2wh2 s THR 117 Cb 0.00 -0.75 0.11 0.00 1.34 0.00 0.00 72.50 73.20 2wh2 s THR 117 CO -0.00 -0.50 1.59 0.71 -0.54 0.00 0.00 174.62 175.88 2wh2 h THR 118 N 5.46 0.17 -1.71 3.99 1.35 -1.99 -3.41 112.91 116.77 2wh2 h THR 118 Ca -0.01 0.00 -0.63 0.00 -0.55 0.00 0.00 66.41 65.22 2wh2 h THR 118 Cb 1.07 0.17 0.14 0.00 -1.73 0.00 0.00 68.15 67.81 2wh2 h THR 118 CO 0.23 0.00 -0.70 0.47 -0.25 0.00 0.00 175.52 175.28 2wh2 n ASP 119 N -5.43 -1.93 -0.22 5.36 8.00 -1.26 -4.89 116.55 116.18 2wh2 n ASP 119 Ca 0.04 0.91 0.12 0.00 0.71 0.00 0.00 54.79 56.57 2wh2 n ASP 119 Cb 0.35 -0.96 0.20 0.00 -0.02 0.00 0.00 41.12 40.69 2wh2 n ASP 119 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2wh2 n LEU 120 N 1.98 1.13 -0.03 0.64 0.00 -1.26 -3.11 117.00 116.35 2wh2 n LEU 120 Ca 0.13 -0.35 -0.21 0.00 0.00 0.00 0.00 56.01 55.58 2wh2 n LEU 120 Cb 0.36 -0.11 -0.13 0.00 0.00 0.00 0.00 43.42 43.54 2wh2 n LEU 120 CO 0.55 0.23 -0.92 -0.62 0.00 0.00 0.00 177.39 176.63 2wh2 n GLU 121 N -0.80 0.72 0.08 1.96 4.71 -1.26 -2.86 120.64 123.19 2wh2 n GLU 121 Ca 0.09 0.26 -0.12 0.00 -0.01 0.00 0.00 57.16 57.38 2wh2 n GLU 121 Cb 0.37 -1.67 -0.05 0.00 -1.01 0.00 0.00 31.44 29.08 2wh2 n GLU 121 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2wh2 h ALA 122 N 0.00 -0.20 0.20 0.62 0.00 -1.92 -1.62 119.26 116.34 2wh2 h ALA 122 Ca -0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2wh2 h ALA 122 Cb 1.96 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.97 2wh2 h ALA 122 CO 0.02 -0.65 -0.10 0.00 0.00 0.00 0.00 179.25 178.53 2wh2 h ALA 123 N 0.65 -0.27 -0.96 0.00 0.00 -1.71 -2.65 119.26 114.32 2wh2 h ALA 123 Ca 0.03 -0.10 0.25 0.00 0.00 0.00 0.00 54.91 55.09 2wh2 h ALA 123 Cb 0.29 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 2wh2 h ALA 123 CO -0.10 -0.60 0.66 0.00 0.00 0.00 0.00 179.25 179.22 2wh2 h ALA 124 N 0.41 2.58 0.94 0.00 0.00 -1.40 -2.05 119.26 119.74 2wh2 h ALA 124 Ca -0.03 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2wh2 h ALA 124 Cb 0.29 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.12 2wh2 h ALA 124 CO 0.05 -0.88 -0.45 0.00 0.00 0.00 0.00 179.25 177.96 2wh2 h ARG 125 N 0.19 -1.22 -0.20 0.00 3.08 -0.92 0.67 114.38 115.98 2wh2 h ARG 125 Ca 0.49 0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.62 2wh2 h ARG 125 Cb 1.58 0.28 0.00 0.00 0.08 0.00 0.00 29.97 31.91 2wh2 h ARG 125 CO -0.11 -0.81 0.00 0.00 -1.07 0.00 0.00 179.97 177.98 2wh2 n MET 126 N -5.62 0.24 0.00 0.04 0.00 -0.77 -0.89 117.12 110.12 2wh2 n MET 126 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.54 2wh2 n MET 126 Cb 0.50 -1.10 0.00 0.00 0.00 0.00 0.00 33.22 32.62 2wh2 n MET 126 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 2wh2 n ILE 127 N 0.26 0.00 0.24 3.17 2.08 -0.86 -4.28 119.36 119.97 2wh2 n ILE 127 Ca 0.00 0.00 0.16 0.00 0.56 0.00 0.00 62.75 63.47 2wh2 n ILE 127 Cb 0.05 -1.23 0.85 0.00 -0.75 0.00 0.00 39.64 38.56 2wh2 n ILE 127 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wh2 h ALA 128 N 0.00 1.72 0.10 -1.39 0.00 0.11 0.54 119.26 120.33 2wh2 h ALA 128 Ca 0.00 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 2wh2 h ALA 128 Cb 0.94 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2wh2 h ALA 128 CO 0.00 -0.18 -1.16 0.78 0.00 0.00 0.00 179.25 178.69 2wh2 h GLY 129 N 0.00 0.32 1.85 0.00 0.00 -1.53 -3.01 103.07 100.69 2wh2 h GLY 129 Ca 0.05 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.63 2wh2 h GLY 129 CO -0.00 0.66 0.04 1.44 0.00 0.00 0.00 176.54 178.68 2wh2 n SER 130 N -3.57 0.09 -0.03 0.19 7.64 0.19 -0.92 113.62 117.20 2wh2 n SER 130 Ca -0.08 0.51 -0.09 0.00 1.01 0.00 0.00 58.87 60.22 2wh2 n SER 130 Cb 0.98 -0.52 -0.08 0.00 -1.01 0.00 0.00 64.21 63.58 2wh2 n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wh2 h ALA 131 N 1.85 -0.06 0.00 -0.43 0.00 -1.36 -2.96 119.26 116.30 2wh2 h ALA 131 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2wh2 h ALA 131 Cb 0.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2wh2 h ALA 131 CO 0.00 -0.09 0.00 0.54 0.00 0.00 0.00 179.25 179.70 2wh2 n ARG 132 N -4.75 0.02 0.00 0.00 5.12 -0.09 0.13 116.66 117.09 2wh2 n ARG 132 Ca -0.07 0.25 0.12 0.00 -1.93 0.00 0.00 57.85 56.23 2wh2 n ARG 132 Cb 0.29 -1.50 0.27 0.00 -1.16 0.00 0.00 32.46 30.35 2wh2 n ARG 132 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2wh2 n SER 133 N -1.26 0.58 -0.52 0.55 7.64 -0.92 -4.09 113.62 115.59 2wh2 n SER 133 Ca 0.01 -0.35 -0.00 0.00 1.01 0.00 0.00 58.87 59.54 2wh2 n SER 133 Cb 0.01 0.24 -0.00 0.00 -1.01 0.00 0.00 64.21 63.44 2wh2 n SER 133 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 2wh2 n MET 134 N -1.38 0.00 -2.97 1.43 0.00 0.12 -4.92 117.12 109.41 2wh2 n MET 134 Ca 0.06 -0.31 -0.09 0.00 0.00 0.00 0.00 57.70 57.37 2wh2 n MET 134 Cb 0.34 -0.12 0.04 0.00 0.00 0.00 0.00 33.22 33.48 2wh2 n MET 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wh2 n GLY 135 N 0.01 -0.96 2.52 3.17 0.00 -0.11 -3.92 105.19 105.89 2wh2 n GLY 135 Ca -0.01 0.45 -0.21 0.00 0.00 0.00 0.00 46.02 46.25 2wh2 n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh2 s VAL 136 N -3.23 -0.06 0.55 1.61 0.11 -1.08 -2.05 120.40 116.25 2wh2 s VAL 136 Ca 0.28 -2.05 -0.18 0.00 -2.93 0.00 0.00 61.98 57.09 2wh2 s VAL 136 Cb -0.04 -0.89 -0.09 0.00 -1.53 0.00 0.00 36.38 33.83 2wh2 s VAL 136 CO 0.64 -0.87 0.50 -1.84 -3.33 0.00 0.00 175.10 170.20 2wh2 n GLU 137 N 3.05 0.50 -3.44 1.54 0.28 -1.22 -4.55 120.64 116.80 2wh2 n GLU 137 Ca 0.25 0.19 -0.37 0.00 -0.16 0.00 0.00 57.16 57.06 2wh2 n GLU 137 Cb 0.49 -1.66 -0.06 0.00 1.43 0.00 0.00 31.44 31.64 2wh2 n GLU 137 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2wh2 s VAL 138 N -1.72 5.18 -0.47 3.84 -7.23 -1.26 -2.00 120.40 116.75 2wh2 s VAL 138 Ca 0.68 0.80 -0.27 0.00 -1.81 0.00 0.00 61.98 61.37 2wh2 s VAL 138 Cb -0.46 -3.73 0.03 0.00 0.56 0.00 0.00 36.38 32.78 2wh2 s VAL 138 CO 0.55 0.42 1.03 -0.69 -0.31 0.00 0.00 175.10 176.10 2wh2 s VAL 139 N 0.07 4.34 -3.00 1.32 1.01 0.80 -4.89 120.40 120.04 2wh2 s VAL 139 Ca 0.23 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.17 2wh2 s VAL 139 Cb -0.15 -4.52 0.00 0.00 0.00 0.00 0.00 36.38 31.71 2wh2 s VAL 139 CO 0.09 -0.93 0.00 0.61 0.00 0.00 0.00 175.10 174.87 2wh2 n GLY 140 N 4.90 -1.57 0.00 4.51 0.00 -1.26 -1.84 105.19 109.93 2wh2 n GLY 140 Ca 0.09 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2wh2 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32