#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bh3 s LYS 2 N 0.00 2.42 0.23 0.03 0.00 -1.26 -4.80 119.74 116.36 3bh3 s LYS 2 Ca 0.00 1.08 -0.12 0.00 0.00 0.00 0.00 55.97 56.93 3bh3 s LYS 2 Cb 0.00 -1.92 0.30 0.00 0.00 0.00 0.00 37.83 36.21 3bh3 s LYS 2 CO 0.00 -1.50 1.60 1.96 0.00 0.00 0.00 175.35 177.41 3bh3 h GLN 3 N -1.02 -0.00 0.00 1.78 4.20 -2.07 -0.80 115.11 117.20 3bh3 h GLN 3 Ca -0.44 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.21 3bh3 h GLN 3 Cb 1.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 3bh3 h GLN 3 CO 0.53 -0.00 -0.27 0.37 -0.67 0.00 0.00 178.83 178.79 3bh3 h GLN 4 N -0.00 0.00 -0.49 1.46 5.75 -2.00 -2.84 115.11 116.98 3bh3 h GLN 4 Ca 0.36 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.74 3bh3 h GLN 4 Cb 0.55 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 3bh3 h GLN 4 CO -0.77 0.27 -0.15 0.93 -2.65 0.00 0.00 178.83 176.46 3bh3 h GLU 5 N 0.00 0.97 -0.52 1.69 4.39 -1.65 -3.01 114.58 116.45 3bh3 h GLU 5 Ca -0.00 -0.39 0.09 0.00 0.34 0.00 0.00 59.36 59.40 3bh3 h GLU 5 Cb 1.08 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.61 3bh3 h GLU 5 CO 0.04 1.05 0.09 0.28 -1.16 0.00 0.00 179.01 179.31 3bh3 h VAL 6 N 0.82 0.69 0.00 3.13 2.07 -0.94 0.54 116.25 122.55 3bh3 h VAL 6 Ca 0.12 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3bh3 h VAL 6 Cb 0.72 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3bh3 h VAL 6 CO 0.05 0.04 0.00 -2.11 0.02 0.00 0.00 177.57 175.58 3bh3 n ARG 7 N -5.13 0.01 -0.07 1.57 1.85 -1.19 -1.23 116.66 112.47 3bh3 n ARG 7 Ca 0.06 0.05 -0.22 0.00 -1.00 0.00 0.00 57.85 56.75 3bh3 n ARG 7 Cb 0.26 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.05 3bh3 n ARG 7 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3bh3 n GLN 8 N -1.50 0.63 -0.00 2.89 3.00 -0.12 -4.42 117.38 117.86 3bh3 n GLN 8 Ca 0.06 0.47 -0.11 0.00 -0.01 0.00 0.00 57.00 57.41 3bh3 n GLN 8 Cb 0.30 -1.73 -0.06 0.00 0.00 0.00 0.00 30.24 28.75 3bh3 n GLN 8 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 3bh3 h ARG 9 N -0.67 0.11 -6.06 -1.09 2.43 -0.05 -3.46 114.38 105.58 3bh3 h ARG 9 Ca -0.38 -0.01 -0.71 0.00 -0.81 0.00 0.00 59.98 58.06 3bh3 h ARG 9 Cb 1.54 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.06 3bh3 h ARG 9 CO -0.13 0.15 1.17 0.00 -1.51 0.00 0.00 179.97 179.66 3bh3 n ALA 10 N -2.16 0.40 0.05 2.80 0.00 -0.36 -4.85 120.51 116.39 3bh3 n ALA 10 Ca -0.06 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3bh3 n ALA 10 Cb 0.07 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.18 3bh3 n ALA 10 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3bh3 n PHE 11 N 7.50 -0.44 -3.82 0.00 -0.00 -1.26 -5.01 117.46 114.43 3bh3 n PHE 11 Ca 0.36 0.08 -0.12 0.00 -0.00 0.00 0.00 57.45 57.77 3bh3 n PHE 11 Cb 0.15 0.14 -0.09 0.00 -0.00 0.00 0.00 39.48 39.69 3bh3 n PHE 11 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3bh3 s ALA 12 N -2.00 -0.50 0.39 3.13 0.00 -1.26 -5.12 121.76 116.41 3bh3 s ALA 12 Ca 0.00 -0.04 -0.23 0.00 0.00 0.00 0.00 51.96 51.69 3bh3 s ALA 12 Cb 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 23.12 23.19 3bh3 s ALA 12 CO 0.00 -0.29 0.95 -1.64 0.00 0.00 0.00 175.76 174.78 3bh3 s MET 13 N -1.85 4.36 0.31 0.00 -1.94 -1.26 -3.50 119.30 115.41 3bh3 s MET 13 Ca -0.10 1.22 -0.29 0.00 -1.71 0.00 0.00 55.69 54.80 3bh3 s MET 13 Cb -0.04 -2.43 -0.10 0.00 2.01 0.00 0.00 34.83 34.27 3bh3 s MET 13 CO 0.00 0.08 1.17 -1.25 -0.01 0.00 0.00 175.02 175.01 3bh3 s PRO 14 N -2.72 4.50 0.21 2.03 0.04 -1.26 -1.75 135.00 136.04 3bh3 s PRO 14 Ca 0.57 1.93 -0.06 0.00 0.04 0.00 0.00 61.00 63.48 3bh3 s PRO 14 Cb -0.13 -3.10 0.34 0.00 0.04 0.00 0.00 34.50 31.64 3bh3 s PRO 14 CO 0.18 0.04 1.15 -0.11 0.04 0.00 0.00 177.00 178.30 3bh3 n LEU 15 N 0.96 -0.27 -0.06 -3.56 7.94 -1.23 -1.46 117.00 119.32 3bh3 n LEU 15 Ca -0.00 1.27 0.13 0.00 -1.11 0.00 0.00 56.01 56.29 3bh3 n LEU 15 Cb 0.44 -0.38 0.37 0.00 0.53 0.00 0.00 43.42 44.38 3bh3 n LEU 15 CO 0.55 -1.22 0.62 0.35 -1.11 0.00 0.00 177.39 176.59 3bh3 n THR 16 N -5.20 0.00 -2.86 1.96 -2.24 -1.26 -4.44 114.28 100.24 3bh3 n THR 16 Ca 0.12 -0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.74 3bh3 n THR 16 Cb 0.37 0.12 0.02 0.00 -2.10 0.00 0.00 70.33 68.74 3bh3 n THR 16 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3bh3 n SER 17 N -1.27 -2.12 -4.73 3.42 2.88 -0.54 -5.15 113.62 106.11 3bh3 n SER 17 Ca 0.08 -3.17 -0.37 0.00 -1.33 0.00 0.00 58.87 54.08 3bh3 n SER 17 Cb 0.33 1.22 0.07 0.00 -0.75 0.00 0.00 64.21 65.08 3bh3 n SER 17 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3bh3 s PRO 18 N 0.21 2.63 0.51 -1.46 0.02 -0.88 -4.05 135.00 131.98 3bh3 s PRO 18 Ca 0.33 2.11 0.34 0.00 0.02 0.00 0.00 61.00 63.79 3bh3 s PRO 18 Cb 0.22 -1.91 1.68 0.00 0.02 0.00 0.00 34.50 34.51 3bh3 s PRO 18 CO -0.21 -1.55 2.03 0.00 -0.33 0.00 0.00 177.00 176.94 3bh3 h ALA 19 N 0.67 1.00 -1.99 -1.55 0.00 -1.59 -3.43 119.26 112.38 3bh3 h ALA 19 Ca -0.51 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 3bh3 h ALA 19 Cb 1.33 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.92 3bh3 h ALA 19 CO 0.54 0.00 0.17 -0.59 0.00 0.00 0.00 179.25 179.36 3bh3 s PHE 20 N -3.77 -0.72 0.65 0.00 -0.12 -1.26 -4.34 117.98 108.42 3bh3 s PHE 20 Ca -0.01 1.51 -0.07 0.00 -0.05 0.00 0.00 56.93 58.31 3bh3 s PHE 20 Cb 0.10 0.34 0.04 0.00 -0.63 0.00 0.00 43.02 42.87 3bh3 s PHE 20 CO 0.40 -0.49 0.97 -1.25 -0.05 0.00 0.00 175.22 174.80 3bh3 s PRO 21 N -0.42 2.55 0.87 1.99 0.04 -1.26 -4.81 135.00 133.96 3bh3 s PRO 21 Ca -0.05 -0.10 -0.12 0.00 0.04 0.00 0.00 61.00 60.76 3bh3 s PRO 21 Cb -0.02 -2.21 0.12 0.00 0.04 0.00 0.00 34.50 32.43 3bh3 s PRO 21 CO 0.05 -0.99 1.10 -1.25 0.04 0.00 0.00 177.00 175.95 3bh3 s PRO 22 N -5.14 1.44 0.00 0.56 0.04 -1.26 -5.04 135.00 125.61 3bh3 s PRO 22 Ca 0.57 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.27 3bh3 s PRO 22 Cb -0.11 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3bh3 s PRO 22 CO 0.45 -2.07 0.00 0.41 0.04 0.00 0.00 177.00 175.83 3bh3 n GLY 23 N -1.60 0.44 3.67 0.56 0.00 -1.26 -4.87 105.19 102.13 3bh3 n GLY 23 Ca 0.07 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 3bh3 n GLY 23 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3bh3 n PRO 24 N 0.00 1.61 -3.19 1.61 -0.02 -1.26 -5.12 135.00 128.63 3bh3 n PRO 24 Ca 0.00 0.58 -0.44 0.00 -2.02 0.00 0.00 63.50 61.62 3bh3 n PRO 24 Cb 0.00 -2.27 -0.06 0.00 -0.02 0.00 0.00 33.50 31.15 3bh3 n PRO 24 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3bh3 s TYR 25 N -1.27 3.08 -0.15 6.00 2.02 -1.26 -4.89 117.35 120.88 3bh3 s TYR 25 Ca 0.64 -0.69 -0.03 0.00 -0.37 0.00 0.00 57.07 56.63 3bh3 s TYR 25 Cb -0.50 -3.57 -0.02 0.00 -0.40 0.00 0.00 41.96 37.47 3bh3 s TYR 25 CO 0.55 -1.04 -0.07 0.50 -1.57 0.00 0.00 175.55 173.93 3bh3 s ARG 26 N 2.46 3.58 -0.16 -0.62 6.06 -1.26 -1.39 118.95 127.62 3bh3 s ARG 26 Ca 0.12 -0.57 0.00 0.00 -2.50 0.00 0.00 55.73 52.79 3bh3 s ARG 26 Cb -0.21 -2.83 0.00 0.00 0.06 0.00 0.00 34.95 31.97 3bh3 s ARG 26 CO 0.10 0.23 -0.16 -0.06 -2.50 0.00 0.00 175.30 172.90 3bh3 s PHE 27 N 0.38 2.77 -0.14 5.12 0.08 0.15 -2.20 117.98 124.14 3bh3 s PHE 27 Ca -0.06 -1.16 -0.01 0.00 0.12 0.00 0.00 56.93 55.83 3bh3 s PHE 27 Cb -0.15 -1.89 -0.01 0.00 -0.57 0.00 0.00 43.02 40.39 3bh3 s PHE 27 CO 0.04 -0.54 -0.12 0.08 -0.10 0.00 0.00 175.22 174.58 3bh3 s VAL 28 N 0.92 3.10 -1.30 -0.44 1.01 -0.81 -0.21 120.40 122.67 3bh3 s VAL 28 Ca -0.04 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 3bh3 s VAL 28 Cb -0.15 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 33.92 3bh3 s VAL 28 CO -0.02 0.51 0.87 0.59 0.00 0.00 0.00 175.10 177.05 3bh3 n ASN 29 N 3.70 -5.87 -4.65 3.32 3.02 -0.46 -4.10 115.26 110.21 3bh3 n ASN 29 Ca -0.18 -0.40 -0.42 0.00 -0.03 0.00 0.00 54.58 53.55 3bh3 n ASN 29 Cb 0.52 -4.56 -0.03 0.00 -0.61 0.00 0.00 39.78 35.10 3bh3 n ASN 29 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3bh3 s ARG 30 N -5.95 4.02 -0.20 3.52 3.52 0.31 -4.51 118.95 119.66 3bh3 s ARG 30 Ca 0.43 2.51 -0.03 0.00 -0.13 0.00 0.00 55.73 58.51 3bh3 s ARG 30 Cb -0.19 -4.17 -0.01 0.00 -1.56 0.00 0.00 34.95 29.02 3bh3 s ARG 30 CO 0.53 -1.08 -0.08 -2.00 -0.81 0.00 0.00 175.30 171.86 3bh3 s GLU 31 N 4.65 3.35 -0.06 5.12 2.12 -0.53 -0.83 118.70 132.52 3bh3 s GLU 31 Ca 0.89 -0.65 -0.01 0.00 0.36 0.00 0.00 54.97 55.55 3bh3 s GLU 31 Cb -0.41 -2.89 -0.03 0.00 0.26 0.00 0.00 34.13 31.06 3bh3 s GLU 31 CO 0.40 -0.11 0.01 0.71 -0.54 0.00 0.00 175.26 175.73 3bh3 s TYR 32 N 1.22 3.16 -0.16 5.30 1.51 0.44 -0.74 117.35 128.08 3bh3 s TYR 32 Ca 0.02 0.17 0.01 0.00 -1.01 0.00 0.00 57.07 56.26 3bh3 s TYR 32 Cb -0.14 -1.75 0.02 0.00 -0.11 0.00 0.00 41.96 39.97 3bh3 s TYR 32 CO -0.03 0.48 -0.18 1.41 -1.11 0.00 0.00 175.55 176.13 3bh3 s MET 33 N -1.14 2.70 -0.13 -0.62 1.75 0.04 -1.87 119.30 120.02 3bh3 s MET 33 Ca 0.16 -0.72 0.02 0.00 -1.25 0.00 0.00 55.69 53.90 3bh3 s MET 33 Cb -0.11 -2.37 0.02 0.00 2.84 0.00 0.00 34.83 35.21 3bh3 s MET 33 CO 0.05 -0.21 -0.17 0.42 -0.65 0.00 0.00 175.02 174.46 3bh3 s ILE 34 N 1.34 1.74 -0.22 10.11 1.01 0.36 -0.98 121.20 134.55 3bh3 s ILE 34 Ca 0.04 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 59.87 3bh3 s ILE 34 Cb -0.13 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 3bh3 s ILE 34 CO -0.11 0.49 0.02 -0.63 0.00 0.00 0.00 174.94 174.70 3bh3 s ILE 35 N 1.07 3.96 -0.24 2.92 -1.09 0.18 -1.31 121.20 126.69 3bh3 s ILE 35 Ca -0.03 -0.30 -0.12 0.00 -2.23 0.00 0.00 60.65 57.97 3bh3 s ILE 35 Cb -0.14 -2.82 -0.05 0.00 -1.58 0.00 0.00 42.46 37.87 3bh3 s ILE 35 CO -0.05 0.39 0.22 -0.89 -1.23 0.00 0.00 174.94 173.38 3bh3 s THR 36 N 1.34 5.32 0.03 2.92 2.01 0.04 -0.61 115.64 126.68 3bh3 s THR 36 Ca 0.04 0.29 0.05 0.00 0.31 0.00 0.00 61.69 62.38 3bh3 s THR 36 Cb -0.15 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 3bh3 s THR 36 CO 0.01 0.31 -0.14 -0.72 -0.69 0.00 0.00 174.62 173.39 3bh3 s TYR 37 N 1.24 1.21 0.19 4.92 -0.85 0.52 0.40 117.35 124.99 3bh3 s TYR 37 Ca 0.10 -0.32 -0.30 0.00 -0.52 0.00 0.00 57.07 56.03 3bh3 s TYR 37 Cb -0.14 -0.73 -0.08 0.00 0.38 0.00 0.00 41.96 41.39 3bh3 s TYR 37 CO 0.06 0.02 1.06 0.50 -1.52 0.00 0.00 175.55 175.67 3bh3 s ARG 38 N -0.94 4.65 0.35 -3.49 3.52 -0.34 0.23 118.95 122.93 3bh3 s ARG 38 Ca 0.02 1.66 0.03 0.00 -0.13 0.00 0.00 55.73 57.32 3bh3 s ARG 38 Cb -0.07 -3.28 -0.01 0.00 -1.56 0.00 0.00 34.95 30.03 3bh3 s ARG 38 CO 0.01 0.18 0.12 -2.37 -0.81 0.00 0.00 175.30 172.43 3bh3 n THR 39 N 2.12 0.00 -2.22 4.11 5.66 0.40 -1.85 114.28 122.51 3bh3 n THR 39 Ca 0.01 -2.03 -0.42 0.00 -3.05 0.00 0.00 64.05 58.56 3bh3 n THR 39 Cb 0.46 0.73 -0.03 0.00 -1.55 0.00 0.00 70.33 69.95 3bh3 n THR 39 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3bh3 s ASP 40 N -3.14 6.83 0.46 1.09 -1.08 -1.26 -4.82 116.67 114.74 3bh3 s ASP 40 Ca 0.18 2.05 0.11 0.00 -0.52 0.00 0.00 52.55 54.37 3bh3 s ASP 40 Cb 0.01 -2.55 1.04 0.00 -1.46 0.00 0.00 42.92 39.95 3bh3 s ASP 40 CO 0.12 -0.77 2.09 -0.65 0.52 0.00 0.00 175.17 176.48 3bh3 h PRO 41 N 8.28 0.32 0.00 4.34 0.11 -2.00 -1.98 132.00 141.07 3bh3 h PRO 41 Ca -0.36 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.68 3bh3 h PRO 41 Cb 1.16 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3bh3 h PRO 41 CO 0.93 0.21 -0.25 0.00 -0.21 0.00 0.00 178.00 178.68 3bh3 h ALA 42 N 1.84 1.33 0.02 -0.75 0.00 -2.00 -1.90 119.26 117.80 3bh3 h ALA 42 Ca 0.10 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 3bh3 h ALA 42 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3bh3 h ALA 42 CO -0.02 0.31 -0.92 0.00 0.00 0.00 0.00 179.25 178.62 3bh3 h ALA 43 N 1.75 0.48 -0.04 0.00 0.00 -1.70 -2.23 119.26 117.52 3bh3 h ALA 43 Ca -0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 54.91 54.12 3bh3 h ALA 43 Cb 0.53 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3bh3 h ALA 43 CO 0.03 0.98 -0.04 0.82 0.00 0.00 0.00 179.25 181.05 3bh3 h ILE 44 N 0.07 1.38 -0.65 0.00 2.04 -1.33 -3.28 117.51 115.74 3bh3 h ILE 44 Ca -0.04 -1.20 0.02 0.00 1.00 0.00 0.00 64.86 64.64 3bh3 h ILE 44 Cb 1.58 2.11 -0.03 0.00 -0.74 0.00 0.00 36.82 39.73 3bh3 h ILE 44 CO 0.14 0.32 0.43 -0.33 0.00 0.00 0.00 178.15 178.71 3bh3 h GLU 45 N -0.37 0.81 -0.37 2.37 5.08 -1.38 -0.92 114.58 119.80 3bh3 h GLU 45 Ca 0.01 -0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.42 3bh3 h GLU 45 Cb 0.54 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3bh3 h GLU 45 CO 0.01 0.54 0.27 0.00 -1.00 0.00 0.00 179.01 178.83 3bh3 h ALA 46 N 1.61 2.33 0.00 3.43 0.00 -1.46 -3.09 119.26 122.07 3bh3 h ALA 46 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3bh3 h ALA 46 Cb -0.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3bh3 h ALA 46 CO -0.06 -0.46 -0.97 1.33 0.00 0.00 0.00 179.25 179.09 3bh3 n VAL 47 N -4.38 0.00 -2.73 0.00 0.24 -0.44 -4.97 118.33 106.04 3bh3 n VAL 47 Ca 0.06 -0.23 -0.43 0.00 -2.04 0.00 0.00 64.34 61.70 3bh3 n VAL 47 Cb 0.46 0.73 -0.03 0.00 -1.47 0.00 0.00 33.84 33.52 3bh3 n VAL 47 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3bh3 s LEU 48 N -3.08 4.02 -0.19 1.34 2.96 -0.66 -5.01 118.68 118.07 3bh3 s LEU 48 Ca 0.02 1.04 -0.25 0.00 -0.22 0.00 0.00 54.13 54.72 3bh3 s LEU 48 Cb 0.10 -3.42 -0.01 0.00 0.50 0.00 0.00 46.19 43.36 3bh3 s LEU 48 CO 0.55 -0.75 0.81 -2.16 -1.32 0.00 0.00 176.35 173.49 3bh3 s PRO 49 N 3.34 4.26 0.58 0.98 0.04 -1.26 -4.96 135.00 137.98 3bh3 s PRO 49 Ca 0.41 0.97 -0.20 0.00 0.04 0.00 0.00 61.00 62.23 3bh3 s PRO 49 Cb -0.13 -3.59 -0.04 0.00 0.04 0.00 0.00 34.50 30.78 3bh3 s PRO 49 CO 0.12 -0.37 1.25 -1.21 0.04 0.00 0.00 177.00 176.83 3bh3 s GLU 50 N 2.29 3.02 0.00 4.56 2.02 -1.26 -1.49 118.70 127.83 3bh3 s GLU 50 Ca 0.37 1.95 0.15 0.00 0.02 0.00 0.00 54.97 57.46 3bh3 s GLU 50 Cb -0.16 -2.03 0.91 0.00 0.10 0.00 0.00 34.13 32.95 3bh3 s GLU 50 CO 0.11 -1.20 1.57 -0.35 0.02 0.00 0.00 175.26 175.40 3bh3 n PRO 51 N -1.41 0.97 -1.94 0.39 -0.04 -1.26 -5.10 135.00 126.61 3bh3 n PRO 51 Ca 0.13 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.19 3bh3 n PRO 51 Cb 0.48 -1.25 0.01 0.00 -0.04 0.00 0.00 33.50 32.70 3bh3 n PRO 51 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3bh3 s LEU 52 N -1.49 4.13 -0.01 1.53 1.02 -0.56 -4.68 118.68 118.62 3bh3 s LEU 52 Ca 0.23 2.75 0.04 0.00 0.02 0.00 0.00 54.13 57.17 3bh3 s LEU 52 Cb 0.11 -3.97 -0.01 0.00 0.02 0.00 0.00 46.19 42.34 3bh3 s LEU 52 CO 0.18 -1.05 -0.14 -1.10 0.02 0.00 0.00 176.35 174.26 3bh3 s GLN 53 N -2.41 1.18 0.34 1.70 -1.52 -0.30 -4.72 119.66 113.93 3bh3 s GLN 53 Ca 0.60 -0.51 -0.27 0.00 -1.95 0.00 0.00 55.36 53.23 3bh3 s GLN 53 Cb -0.40 -1.14 -0.09 0.00 -0.22 0.00 0.00 33.01 31.16 3bh3 s GLN 53 CO 0.51 0.30 1.11 1.41 -0.25 0.00 0.00 175.29 178.37 3bh3 s MET 54 N -0.32 4.36 0.00 2.91 -2.45 -1.26 -0.64 119.30 121.90 3bh3 s MET 54 Ca 0.05 1.75 0.00 0.00 -1.25 0.00 0.00 55.69 56.24 3bh3 s MET 54 Cb -0.06 -2.89 0.00 0.00 1.25 0.00 0.00 34.83 33.14 3bh3 s MET 54 CO -0.00 -0.03 0.00 0.00 1.05 0.00 0.00 175.02 176.04 3bh3 n ALA 55 N 0.57 0.00 -1.75 4.11 0.00 -1.24 -4.73 120.51 117.47 3bh3 n ALA 55 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 3bh3 n ALA 55 Cb 0.46 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.95 3bh3 n ALA 55 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3bh3 s GLU 56 N 3.96 3.14 -1.22 0.00 8.01 -1.26 -4.89 118.70 126.44 3bh3 s GLU 56 Ca 0.00 2.05 -0.08 0.00 0.01 0.00 0.00 54.97 56.96 3bh3 s GLU 56 Cb 0.00 -2.17 -0.08 0.00 -4.31 0.00 0.00 34.13 27.57 3bh3 s GLU 56 CO 0.00 -1.13 2.60 -0.35 0.01 0.00 0.00 175.26 176.39 3bh3 n PRO 57 N -1.15 2.88 -4.40 0.39 -0.04 -1.26 -4.76 135.00 126.65 3bh3 n PRO 57 Ca 0.11 -1.79 -0.23 0.00 -0.04 0.00 0.00 63.50 61.55 3bh3 n PRO 57 Cb 0.47 -2.59 -0.11 0.00 -0.04 0.00 0.00 33.50 31.23 3bh3 n PRO 57 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3bh3 s VAL 58 N 2.66 2.14 -0.04 0.52 -7.23 -1.26 -0.45 120.40 116.74 3bh3 s VAL 58 Ca 0.56 -2.18 0.05 0.00 -1.81 0.00 0.00 61.98 58.60 3bh3 s VAL 58 Cb 0.15 -2.10 -0.01 0.00 0.56 0.00 0.00 36.38 34.98 3bh3 s VAL 58 CO -0.04 -0.37 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.48 3bh3 s VAL 59 N -2.36 1.61 -0.53 1.32 1.01 0.14 -4.37 120.40 117.21 3bh3 s VAL 59 Ca 0.23 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 3bh3 s VAL 59 Cb -0.05 -1.36 0.11 0.00 0.00 0.00 0.00 36.38 35.08 3bh3 s VAL 59 CO 0.10 0.46 0.53 -0.13 0.00 0.00 0.00 175.10 176.06 3bh3 s ARG 60 N -0.16 3.01 -0.26 2.72 0.52 0.68 -0.35 118.95 125.12 3bh3 s ARG 60 Ca -0.00 -1.48 -0.18 0.00 -0.52 0.00 0.00 55.73 53.55 3bh3 s ARG 60 Cb -0.11 -4.24 -0.03 0.00 0.52 0.00 0.00 34.95 31.09 3bh3 s ARG 60 CO 0.02 -1.31 0.53 -0.47 0.02 0.00 0.00 175.30 174.09 3bh3 s TYR 61 N 1.94 3.28 -0.07 -0.53 6.14 0.22 -1.35 117.35 126.98 3bh3 s TYR 61 Ca 0.06 0.67 -0.01 0.00 0.64 0.00 0.00 57.07 58.42 3bh3 s TYR 61 Cb -0.27 -2.73 -0.03 0.00 0.42 0.00 0.00 41.96 39.35 3bh3 s TYR 61 CO 0.05 -0.27 0.01 -1.21 0.64 0.00 0.00 175.55 174.77 3bh3 s GLU 62 N 2.28 2.97 -0.13 4.97 2.02 0.19 -0.65 118.70 130.35 3bh3 s GLU 62 Ca 0.22 -0.43 0.01 0.00 0.02 0.00 0.00 54.97 54.79 3bh3 s GLU 62 Cb -0.16 -2.79 0.02 0.00 0.10 0.00 0.00 34.13 31.30 3bh3 s GLU 62 CO 0.09 0.69 -0.16 -0.06 0.02 0.00 0.00 175.26 175.85 3bh3 s PHE 63 N -0.93 2.12 -0.08 1.61 0.08 -0.15 -1.21 117.98 119.42 3bh3 s PHE 63 Ca 0.15 -1.08 0.01 0.00 0.12 0.00 0.00 56.93 56.13 3bh3 s PHE 63 Cb -0.11 -1.53 0.02 0.00 -0.57 0.00 0.00 43.02 40.82 3bh3 s PHE 63 CO 0.04 -0.56 -0.10 0.42 -0.10 0.00 0.00 175.22 174.91 3bh3 s ILE 64 N 1.14 1.07 -0.09 0.64 1.01 0.32 -0.78 121.20 124.50 3bh3 s ILE 64 Ca -0.03 -0.40 -0.17 0.00 0.00 0.00 0.00 60.65 60.05 3bh3 s ILE 64 Cb -0.14 -1.01 -0.05 0.00 0.01 0.00 0.00 42.46 41.27 3bh3 s ILE 64 CO -0.05 0.35 0.44 -0.13 0.00 0.00 0.00 174.94 175.55 3bh3 s ARG 65 N 0.99 4.24 -0.55 2.79 0.52 0.08 -0.52 118.95 126.49 3bh3 s ARG 65 Ca -0.09 0.40 0.06 0.00 -0.52 0.00 0.00 55.73 55.59 3bh3 s ARG 65 Cb -0.15 -3.38 0.23 0.00 0.52 0.00 0.00 34.95 32.17 3bh3 s ARG 65 CO -0.00 0.29 0.61 -1.33 0.02 0.00 0.00 175.30 174.89 3bh3 n MET 66 N 3.21 1.66 0.16 3.54 2.81 0.20 -1.45 117.12 127.25 3bh3 n MET 66 Ca -0.09 -4.06 0.12 0.00 -1.81 0.00 0.00 57.70 51.87 3bh3 n MET 66 Cb 0.52 -1.88 0.58 0.00 -0.71 0.00 0.00 33.22 31.73 3bh3 n MET 66 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3bh3 h PRO 67 N 4.40 0.00 -1.95 0.03 0.13 -1.79 -2.15 132.00 130.67 3bh3 h PRO 67 Ca 0.16 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 65.00 3bh3 h PRO 67 Cb 0.76 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.58 3bh3 h PRO 67 CO 0.66 0.00 -0.61 0.34 -0.23 0.00 0.00 178.00 178.16 3bh3 s ASP 68 N -4.31 1.12 -0.14 1.44 -1.08 -1.25 -4.23 116.67 108.21 3bh3 s ASP 68 Ca 0.01 -0.76 -0.04 0.00 -0.52 0.00 0.00 52.55 51.25 3bh3 s ASP 68 Cb 0.08 0.74 0.05 0.00 -1.46 0.00 0.00 42.92 42.33 3bh3 s ASP 68 CO 0.33 -0.36 0.07 -0.44 0.52 0.00 0.00 175.17 175.29 3bh3 s SER 69 N 2.28 2.16 0.16 -0.34 0.01 -0.66 -1.92 113.70 115.39 3bh3 s SER 69 Ca 0.11 -0.48 -0.34 0.00 1.31 0.00 0.00 55.95 56.55 3bh3 s SER 69 Cb -0.13 -0.31 -0.14 0.00 0.21 0.00 0.00 66.02 65.65 3bh3 s SER 69 CO -0.27 -0.31 1.56 0.35 0.41 0.00 0.00 173.24 174.98 3bh3 n THR 70 N 5.23 0.01 0.00 1.44 -2.24 -0.93 -0.87 114.28 116.92 3bh3 n THR 70 Ca -0.07 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3bh3 n THR 70 Cb 0.49 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.23 3bh3 n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bh3 n GLY 71 N 3.34 2.84 0.19 3.38 0.00 -1.26 -4.61 105.19 109.07 3bh3 n GLY 71 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 3bh3 n GLY 71 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3bh3 n PHE 72 N -1.04 0.00 0.00 1.61 3.72 -0.89 -4.56 117.46 116.29 3bh3 n PHE 72 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3bh3 n PHE 72 Cb 0.00 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 37.91 3bh3 n PHE 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bh3 n GLY 73 N 2.48 0.26 3.07 1.37 0.00 -0.05 -4.69 105.19 107.63 3bh3 n GLY 73 Ca -0.31 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 3bh3 n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bh3 s ASP 74 N -4.00 2.89 0.32 1.61 -1.08 -1.26 -1.65 116.67 113.50 3bh3 s ASP 74 Ca 0.00 -0.56 -0.19 0.00 -0.52 0.00 0.00 52.55 51.28 3bh3 s ASP 74 Cb 0.00 -1.32 0.04 0.00 -1.46 0.00 0.00 42.92 40.18 3bh3 s ASP 74 CO 0.00 -0.03 0.77 -0.72 0.52 0.00 0.00 175.17 175.72 3bh3 s TYR 75 N 1.37 -0.04 0.21 -5.34 -0.85 -0.81 -4.96 117.35 106.93 3bh3 s TYR 75 Ca 0.04 -0.51 0.04 0.00 -0.52 0.00 0.00 57.07 56.12 3bh3 s TYR 75 Cb -0.13 0.77 -0.05 0.00 0.38 0.00 0.00 41.96 42.93 3bh3 s TYR 75 CO -0.11 -1.36 -0.04 -1.12 -1.52 0.00 0.00 175.55 171.39 3bh3 s SER 76 N -3.01 1.93 -0.02 -0.18 0.01 -1.26 0.61 113.70 111.78 3bh3 s SER 76 Ca 0.13 -1.15 -0.14 0.00 1.31 0.00 0.00 55.95 56.10 3bh3 s SER 76 Cb -0.05 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.18 3bh3 s SER 76 CO 0.09 -0.43 0.30 -0.70 0.41 0.00 0.00 173.24 172.91 3bh3 s GLU 77 N -3.81 0.64 0.04 12.44 2.12 0.32 -3.18 118.70 127.27 3bh3 s GLU 77 Ca 0.25 -0.17 0.02 0.00 0.36 0.00 0.00 54.97 55.43 3bh3 s GLU 77 Cb 0.04 0.28 -0.02 0.00 0.26 0.00 0.00 34.13 34.69 3bh3 s GLU 77 CO 0.07 -0.17 -0.07 0.45 -0.54 0.00 0.00 175.26 174.99 3bh3 s SER 78 N -1.24 0.81 0.08 -1.70 0.15 -0.19 -0.53 113.70 111.09 3bh3 s SER 78 Ca -0.13 -0.58 -0.27 0.00 0.70 0.00 0.00 55.95 55.67 3bh3 s SER 78 Cb -0.05 0.05 0.08 0.00 -1.71 0.00 0.00 66.02 64.39 3bh3 s SER 78 CO 0.04 -0.23 1.02 -0.83 1.20 0.00 0.00 173.24 174.44 3bh3 s GLY 79 N -1.67 -0.31 -0.14 9.45 0.00 -0.35 -0.48 107.32 113.83 3bh3 s GLY 79 Ca -0.09 0.43 0.02 0.00 0.00 0.00 0.00 44.72 45.08 3bh3 s GLY 79 CO -0.00 0.10 -0.19 1.62 0.00 0.00 0.00 173.10 174.62 3bh3 s GLN 80 N -3.05 2.76 -0.03 2.90 0.74 0.04 -0.64 119.66 122.38 3bh3 s GLN 80 Ca 0.11 -0.75 0.04 0.00 0.05 0.00 0.00 55.36 54.80 3bh3 s GLN 80 Cb -0.00 -2.30 -0.00 0.00 1.10 0.00 0.00 33.01 31.81 3bh3 s GLN 80 CO -0.01 -0.08 -0.13 0.08 -0.55 0.00 0.00 175.29 174.60 3bh3 s VAL 81 N 0.99 1.13 0.01 1.34 1.01 -0.45 -1.19 120.40 123.24 3bh3 s VAL 81 Ca -0.04 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.47 3bh3 s VAL 81 Cb -0.15 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 3bh3 s VAL 81 CO -0.04 0.33 -0.25 0.27 0.00 0.00 0.00 175.10 175.41 3bh3 s ILE 82 N 0.07 2.22 0.57 2.22 -4.36 0.05 -0.23 121.20 121.74 3bh3 s ILE 82 Ca -0.03 -1.23 -0.18 0.00 -0.26 0.00 0.00 60.65 58.96 3bh3 s ILE 82 Cb -0.10 -1.84 -0.05 0.00 1.25 0.00 0.00 42.46 41.73 3bh3 s ILE 82 CO 0.01 0.46 1.10 -2.16 0.24 0.00 0.00 174.94 174.58 3bh3 s PRO 83 N -0.99 3.30 0.08 0.37 0.04 -1.26 -0.16 135.00 136.38 3bh3 s PRO 83 Ca 0.11 1.44 -0.26 0.00 0.04 0.00 0.00 61.00 62.34 3bh3 s PRO 83 Cb -0.10 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.49 3bh3 s PRO 83 CO 0.01 -0.86 0.62 0.54 0.04 0.00 0.00 177.00 177.35 3bh3 s VAL 84 N -2.06 0.00 0.01 -0.36 0.11 0.16 -3.62 120.40 114.64 3bh3 s VAL 84 Ca 0.69 -0.02 0.07 0.00 -2.93 0.00 0.00 61.98 59.79 3bh3 s VAL 84 Cb -0.20 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.62 3bh3 s VAL 84 CO 0.31 -0.01 -0.22 0.42 -3.33 0.00 0.00 175.10 172.27 3bh3 s THR 85 N -2.84 2.48 -0.13 5.04 -4.23 0.18 0.17 115.64 116.32 3bh3 s THR 85 Ca -0.03 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 3bh3 s THR 85 Cb -0.01 -1.97 0.02 0.00 1.34 0.00 0.00 72.50 71.89 3bh3 s THR 85 CO -0.05 0.46 -0.12 0.12 -0.54 0.00 0.00 174.62 174.49 3bh3 s PHE 86 N -0.78 1.87 -1.39 3.99 2.19 0.14 -1.15 117.98 122.85 3bh3 s PHE 86 Ca 0.12 -0.99 -0.09 0.00 0.33 0.00 0.00 56.93 56.29 3bh3 s PHE 86 Cb -0.10 -1.43 0.02 0.00 -1.31 0.00 0.00 43.02 40.20 3bh3 s PHE 86 CO 0.02 -0.58 1.13 0.54 1.83 0.00 0.00 175.22 178.16 3bh3 n ARG 87 N 4.75 -7.53 0.00 10.12 1.74 -1.26 -2.16 116.66 122.31 3bh3 n ARG 87 Ca -0.16 0.80 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 3bh3 n ARG 87 Cb 0.50 -5.83 0.00 0.00 -1.02 0.00 0.00 32.46 26.11 3bh3 n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3bh3 n GLY 88 N -1.95 2.47 3.72 -0.13 0.00 -1.26 -5.00 105.19 103.04 3bh3 n GLY 88 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3bh3 n GLY 88 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bh3 s GLU 89 N 0.00 4.35 -0.09 1.61 2.12 -0.92 -4.93 118.70 120.83 3bh3 s GLU 89 Ca 0.00 2.05 -0.30 0.00 0.36 0.00 0.00 54.97 57.08 3bh3 s GLU 89 Cb 0.00 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.13 3bh3 s GLU 89 CO 0.00 -0.37 1.14 0.50 -0.54 0.00 0.00 175.26 175.99 3bh3 s ARG 90 N 0.72 4.35 0.00 4.30 3.52 -1.26 -0.68 118.95 129.90 3bh3 s ARG 90 Ca 0.62 1.57 0.00 0.00 -0.13 0.00 0.00 55.73 57.78 3bh3 s ARG 90 Cb -0.36 -3.58 0.00 0.00 -1.56 0.00 0.00 34.95 29.45 3bh3 s ARG 90 CO 0.33 -0.45 0.00 0.41 -0.81 0.00 0.00 175.30 174.78 3bh3 n GLY 91 N 3.31 4.63 3.46 8.12 0.00 0.13 -4.31 105.19 120.53 3bh3 n GLY 91 Ca 0.11 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 3bh3 n GLY 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bh3 s SER 92 N 1.38 3.60 -0.10 1.61 1.04 -0.94 -0.66 113.70 119.61 3bh3 s SER 92 Ca 0.00 -0.91 0.02 0.00 0.48 0.00 0.00 55.95 55.54 3bh3 s SER 92 Cb 0.00 -0.33 0.01 0.00 0.10 0.00 0.00 66.02 65.80 3bh3 s SER 92 CO 0.00 0.08 -0.17 -0.47 0.98 0.00 0.00 173.24 173.66 3bh3 s TYR 93 N -2.06 2.05 -0.41 5.02 5.04 0.78 -0.41 117.35 127.35 3bh3 s TYR 93 Ca 0.25 -0.92 -0.25 0.00 -2.44 0.00 0.00 57.07 53.72 3bh3 s TYR 93 Cb -0.07 -1.45 0.02 0.00 0.35 0.00 0.00 41.96 40.81 3bh3 s TYR 93 CO 0.13 -0.44 0.87 0.99 -1.34 0.00 0.00 175.55 175.75 3bh3 s THR 94 N 0.80 4.59 0.02 4.34 2.01 -1.15 -0.77 115.64 125.48 3bh3 s THR 94 Ca -0.10 0.85 -0.18 0.00 0.31 0.00 0.00 61.69 62.56 3bh3 s THR 94 Cb -0.16 -4.34 -0.25 0.00 0.01 0.00 0.00 72.50 67.76 3bh3 s THR 94 CO 0.01 -0.65 1.10 0.25 -0.69 0.00 0.00 174.62 174.64 3bh3 h LEU 95 N 10.18 0.66 -7.09 4.42 6.46 -1.53 -3.45 115.31 124.97 3bh3 h LEU 95 Ca -0.24 -0.78 -0.06 0.00 -0.12 0.00 0.00 57.88 56.68 3bh3 h LEU 95 Cb 1.08 -0.20 -0.22 0.00 -0.73 0.00 0.00 40.66 40.59 3bh3 h LEU 95 CO 0.98 1.36 0.01 0.00 -0.62 0.00 0.00 178.44 180.17 3bh3 s ALA 96 N -3.12 -1.57 -0.02 1.25 0.00 -1.18 -4.87 121.76 112.24 3bh3 s ALA 96 Ca -0.12 1.85 -0.09 0.00 0.00 0.00 0.00 51.96 53.60 3bh3 s ALA 96 Cb 0.04 -1.08 0.01 0.00 0.00 0.00 0.00 23.12 22.10 3bh3 s ALA 96 CO 0.86 -0.31 0.19 -1.64 0.00 0.00 0.00 175.76 174.87 3bh3 s MET 97 N 0.55 0.46 -0.03 0.00 -1.94 -1.14 -0.78 119.30 116.42 3bh3 s MET 97 Ca -0.02 -0.18 -0.00 0.00 -1.71 0.00 0.00 55.69 53.79 3bh3 s MET 97 Cb -0.05 0.20 0.03 0.00 2.01 0.00 0.00 34.83 37.02 3bh3 s MET 97 CO -0.02 -0.11 0.03 -0.06 -0.01 0.00 0.00 175.02 174.85 3bh3 s PHE 98 N -0.98 0.10 0.12 -0.03 0.08 0.37 -1.29 117.98 116.34 3bh3 s PHE 98 Ca -0.11 0.12 0.06 0.00 0.12 0.00 0.00 56.93 57.12 3bh3 s PHE 98 Cb -0.06 -0.32 -0.04 0.00 -0.57 0.00 0.00 43.02 42.04 3bh3 s PHE 98 CO 0.02 -0.12 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.37 3bh3 s LEU 99 N 1.25 2.38 -0.37 -0.37 1.02 -0.68 -1.02 118.68 120.89 3bh3 s LEU 99 Ca -0.07 -0.78 0.06 0.00 0.02 0.00 0.00 54.13 53.36 3bh3 s LEU 99 Cb -0.13 -0.57 0.56 0.00 0.02 0.00 0.00 46.19 46.06 3bh3 s LEU 99 CO -0.03 -0.12 1.65 -0.90 0.02 0.00 0.00 176.35 176.97 3bh3 n ASP 100 N 0.64 3.38 -3.67 2.29 3.85 -1.19 -1.73 116.55 120.12 3bh3 n ASP 100 Ca -0.16 -3.74 -0.08 0.00 -0.71 0.00 0.00 54.79 50.10 3bh3 n ASP 100 Cb 0.56 -0.72 -0.09 0.00 -1.35 0.00 0.00 41.12 39.53 3bh3 n ASP 100 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3bh3 s ASP 101 N -2.14 -0.73 -0.09 -1.12 2.15 -1.26 -4.92 116.67 108.56 3bh3 s ASP 101 Ca 0.51 1.21 -0.24 0.00 0.43 0.00 0.00 52.55 54.46 3bh3 s ASP 101 Cb 0.44 1.12 -0.20 0.00 -0.30 0.00 0.00 42.92 43.98 3bh3 s ASP 101 CO 0.03 -0.22 0.82 -0.61 -0.17 0.00 0.00 175.17 175.02 3bh3 h GLN 102 N 7.12 -0.05 -0.76 4.34 5.75 -1.93 -3.15 115.11 126.42 3bh3 h GLN 102 Ca -0.32 0.00 0.18 0.00 -0.15 0.00 0.00 58.65 58.36 3bh3 h GLN 102 Cb 1.20 0.01 -0.13 0.00 1.07 0.00 0.00 27.48 29.63 3bh3 h GLN 102 CO 0.22 0.61 0.04 -1.35 -2.65 0.00 0.00 178.83 175.69 3bh3 h PRO 103 N -0.87 0.12 0.00 -2.39 0.11 -1.88 0.31 132.00 127.41 3bh3 h PRO 103 Ca -0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3bh3 h PRO 103 Cb 0.68 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.77 3bh3 h PRO 103 CO 0.01 0.08 0.00 -1.00 -0.21 0.00 0.00 178.00 176.88 3bh3 h PRO 104 N 0.12 0.00 0.05 1.05 0.13 -1.84 0.77 132.00 132.28 3bh3 h PRO 104 Ca 0.42 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.55 3bh3 h PRO 104 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3bh3 h PRO 104 CO -0.65 0.00 -0.02 1.25 -0.23 0.00 0.00 178.00 178.34 3bh3 h LEU 105 N 0.00 -0.05 -0.23 1.56 6.46 -0.44 0.09 115.31 122.69 3bh3 h LEU 105 Ca 0.00 -0.56 0.04 0.00 -0.12 0.00 0.00 57.88 57.24 3bh3 h LEU 105 Cb 0.55 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.45 3bh3 h LEU 105 CO 0.00 0.67 -0.03 0.00 -0.62 0.00 0.00 178.44 178.47 3bh3 h ALA 106 N -0.28 0.18 -0.51 1.25 0.00 -0.96 -2.25 119.26 116.69 3bh3 h ALA 106 Ca -0.01 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3bh3 h ALA 106 Cb 0.61 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3bh3 h ALA 106 CO 0.01 -0.45 0.21 0.78 0.00 0.00 0.00 179.25 179.80 3bh3 h GLY 107 N 0.04 0.82 0.69 0.00 0.00 -0.92 0.99 103.07 104.68 3bh3 h GLY 107 Ca 0.11 -0.44 0.03 0.00 0.00 0.00 0.00 47.33 47.03 3bh3 h GLY 107 CO -0.21 0.42 0.00 -1.33 0.00 0.00 0.00 176.54 175.42 3bh3 h GLY 108 N 0.68 0.20 0.72 4.60 0.00 -0.91 -1.54 103.07 106.82 3bh3 h GLY 108 Ca 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 3bh3 h GLY 108 CO -0.01 -0.04 -0.07 3.21 0.00 0.00 0.00 176.54 179.62 3bh3 h ARG 109 N 0.07 -0.20 0.00 4.80 3.08 -1.12 0.16 114.38 121.16 3bh3 h ARG 109 Ca 0.10 0.01 -0.15 0.00 0.07 0.00 0.00 59.98 60.01 3bh3 h ARG 109 Cb 0.12 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3bh3 h ARG 109 CO -0.16 0.09 -0.70 0.93 -1.07 0.00 0.00 179.97 179.06 3bh3 h GLU 110 N -0.49 0.00 0.00 0.04 5.08 -0.81 -2.63 114.58 115.77 3bh3 h GLU 110 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3bh3 h GLU 110 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3bh3 h GLU 110 CO 0.03 0.70 -0.22 -0.11 -1.00 0.00 0.00 179.01 178.42 3bh3 n LEU 111 N -3.58 0.52 0.08 1.33 7.94 -0.58 -4.67 117.00 118.04 3bh3 n LEU 111 Ca -0.00 0.20 -0.12 0.00 -1.11 0.00 0.00 56.01 54.98 3bh3 n LEU 111 Cb 0.72 -0.58 -0.06 0.00 0.53 0.00 0.00 43.42 44.03 3bh3 n LEU 111 CO 0.43 -0.46 0.15 -0.50 -1.11 0.00 0.00 177.39 175.90 3bh3 h TRP 112 N -0.27 0.42 -0.49 1.96 6.55 -1.65 -3.48 115.95 118.98 3bh3 h TRP 112 Ca 0.00 -0.25 0.00 0.00 0.95 0.00 0.00 58.89 59.59 3bh3 h TRP 112 Cb 0.22 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 28.48 3bh3 h TRP 112 CO -0.09 1.10 0.00 0.41 -1.05 0.00 0.00 178.44 178.81 3bh3 n GLY 113 N 1.08 0.93 3.77 1.49 0.00 -0.13 -4.64 105.19 107.68 3bh3 n GLY 113 Ca -0.05 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 3bh3 n GLY 113 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bh3 s PHE 114 N -2.49 3.10 -1.48 1.61 0.08 -0.19 -4.21 117.98 114.40 3bh3 s PHE 114 Ca 0.00 1.47 -0.09 0.00 0.12 0.00 0.00 56.93 58.42 3bh3 s PHE 114 Cb 0.00 -3.60 0.02 0.00 -0.57 0.00 0.00 43.02 38.87 3bh3 s PHE 114 CO 0.00 -1.65 2.55 -0.35 -0.10 0.00 0.00 175.22 175.66 3bh3 n PRO 115 N 0.71 3.77 -3.47 0.24 -0.04 -1.26 -3.90 135.00 131.05 3bh3 n PRO 115 Ca 0.01 -2.76 -0.38 0.00 -0.04 0.00 0.00 63.50 60.33 3bh3 n PRO 115 Cb 0.43 -2.86 -0.06 0.00 -0.04 0.00 0.00 33.50 30.96 3bh3 n PRO 115 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3bh3 s LYS 116 N 1.28 4.09 0.18 0.54 1.02 -1.26 -2.89 119.74 122.69 3bh3 s LYS 116 Ca 0.58 0.34 0.03 0.00 0.02 0.00 0.00 55.97 56.94 3bh3 s LYS 116 Cb 0.16 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 34.11 3bh3 s LYS 116 CO -0.07 0.46 -0.04 0.15 -0.92 0.00 0.00 175.35 174.92 3bh3 s LYS 117 N -0.29 1.15 0.45 1.68 1.02 -0.41 -4.98 119.74 118.35 3bh3 s LYS 117 Ca 0.22 -1.54 -0.21 0.00 0.02 0.00 0.00 55.97 54.47 3bh3 s LYS 117 Cb -0.15 -0.51 -0.09 0.00 -0.52 0.00 0.00 37.83 36.55 3bh3 s LYS 117 CO 0.10 -0.03 1.01 0.00 -0.92 0.00 0.00 175.35 175.51 3bh3 s ALA 118 N -3.45 2.96 0.03 5.17 0.00 -1.26 -1.68 121.76 123.53 3bh3 s ALA 118 Ca 0.22 0.55 -0.21 0.00 0.00 0.00 0.00 51.96 52.51 3bh3 s ALA 118 Cb 0.05 -3.22 0.07 0.00 0.00 0.00 0.00 23.12 20.02 3bh3 s ALA 118 CO 0.04 -0.14 0.96 0.41 0.00 0.00 0.00 175.76 177.03 3bh3 n GLY 119 N -0.30 0.43 2.86 0.00 0.00 -0.71 -4.70 105.19 102.78 3bh3 n GLY 119 Ca 0.08 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 3bh3 n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bh3 s LYS 120 N -2.02 1.76 0.26 1.61 -0.14 0.33 -3.62 119.74 117.91 3bh3 s LYS 120 Ca 0.22 -2.45 -0.26 0.00 -1.36 0.00 0.00 55.97 52.12 3bh3 s LYS 120 Cb -0.01 -2.98 -0.09 0.00 -1.68 0.00 0.00 37.83 33.06 3bh3 s LYS 120 CO 0.01 -1.14 0.87 -1.25 -0.76 0.00 0.00 175.35 173.09 3bh3 s PRO 121 N -0.13 4.59 0.01 -1.68 0.05 -1.26 -1.57 135.00 135.01 3bh3 s PRO 121 Ca 0.18 1.26 0.01 0.00 0.05 0.00 0.00 61.00 62.49 3bh3 s PRO 121 Cb -0.24 -3.01 -0.01 0.00 0.05 0.00 0.00 34.50 31.28 3bh3 s PRO 121 CO -0.01 0.41 -0.04 1.03 0.05 0.00 0.00 177.00 178.45 3bh3 s ARG 122 N -1.66 0.30 -0.13 4.56 0.52 -0.33 -4.77 118.95 117.44 3bh3 s ARG 122 Ca 0.44 -0.35 -0.03 0.00 -0.52 0.00 0.00 55.73 55.27 3bh3 s ARG 122 Cb -0.21 -0.15 0.05 0.00 0.52 0.00 0.00 34.95 35.16 3bh3 s ARG 122 CO 0.26 0.03 0.05 -1.17 0.02 0.00 0.00 175.30 174.49 3bh3 s LEU 123 N -0.70 0.58 -0.02 2.53 2.96 -1.26 -0.79 118.68 121.98 3bh3 s LEU 123 Ca -0.05 -0.43 -0.13 0.00 -0.22 0.00 0.00 54.13 53.30 3bh3 s LEU 123 Cb -0.05 -0.36 0.02 0.00 0.50 0.00 0.00 46.19 46.30 3bh3 s LEU 123 CO -0.00 -0.29 0.28 -1.83 -1.32 0.00 0.00 176.35 173.20 3bh3 s GLU 124 N 2.03 0.62 -0.12 1.98 -1.05 -0.65 -4.98 118.70 116.53 3bh3 s GLU 124 Ca 0.02 -0.18 -0.25 0.00 -0.15 0.00 0.00 54.97 54.41 3bh3 s GLU 124 Cb -0.15 0.27 -0.02 0.00 -0.44 0.00 0.00 34.13 33.79 3bh3 s GLU 124 CO -0.07 -0.16 0.78 0.08 0.95 0.00 0.00 175.26 176.84 3bh3 s VAL 125 N -1.24 4.95 -0.47 1.83 1.01 -1.26 -0.80 120.40 124.42 3bh3 s VAL 125 Ca -0.13 1.56 0.01 0.00 0.00 0.00 0.00 61.98 63.42 3bh3 s VAL 125 Cb -0.05 -4.10 0.12 0.00 0.00 0.00 0.00 36.38 32.35 3bh3 s VAL 125 CO 0.04 0.12 0.23 -1.00 0.00 0.00 0.00 175.10 174.49 3bh3 s HIS 126 N 1.56 3.48 0.00 5.22 3.76 0.69 -4.97 115.29 125.02 3bh3 s HIS 126 Ca 0.38 -2.88 0.00 0.00 -0.15 0.00 0.00 55.06 52.42 3bh3 s HIS 126 Cb -0.17 -3.02 0.00 0.00 1.11 0.00 0.00 32.58 30.50 3bh3 s HIS 126 CO 0.15 -0.87 0.00 1.04 -0.85 0.00 0.00 174.74 174.22 3bh3 n GLN 127 N 3.81 0.00 0.00 1.40 3.00 -1.26 -1.80 117.38 122.53 3bh3 n GLN 127 Ca 0.04 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.14 3bh3 n GLN 127 Cb 0.38 0.00 0.02 0.00 0.00 0.00 0.00 30.24 30.64 3bh3 n GLN 127 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 3bh3 n ASP 128 N 7.14 1.63 -4.28 1.08 5.75 -1.26 -4.97 116.55 121.65 3bh3 n ASP 128 Ca 0.00 -1.29 -0.32 0.00 -0.01 0.00 0.00 54.79 53.17 3bh3 n ASP 128 Cb 0.00 0.55 -0.16 0.00 -1.03 0.00 0.00 41.12 40.48 3bh3 n ASP 128 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3bh3 s THR 129 N -2.62 2.22 -0.34 2.12 2.01 -0.74 -3.37 115.64 114.91 3bh3 s THR 129 Ca 0.16 -0.99 -0.28 0.00 0.31 0.00 0.00 61.69 60.89 3bh3 s THR 129 Cb 0.18 -1.83 0.02 0.00 0.01 0.00 0.00 72.50 70.87 3bh3 s THR 129 CO 0.64 0.56 1.05 -0.22 -0.69 0.00 0.00 174.62 175.96 3bh3 s LEU 130 N 0.01 3.92 -0.22 4.42 2.96 -0.39 -0.22 118.68 129.16 3bh3 s LEU 130 Ca -0.08 0.91 -0.03 0.00 -0.22 0.00 0.00 54.13 54.71 3bh3 s LEU 130 Cb -0.15 -3.48 0.00 0.00 0.50 0.00 0.00 46.19 43.06 3bh3 s LEU 130 CO 0.05 -0.90 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.42 3bh3 s VAL 131 N 3.68 3.08 -0.14 1.68 1.01 0.02 -1.18 120.40 128.54 3bh3 s VAL 131 Ca 0.44 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 3bh3 s VAL 131 Cb -0.12 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3bh3 s VAL 131 CO 0.17 0.40 0.09 -0.83 0.00 0.00 0.00 175.10 174.93 3bh3 s GLY 132 N 1.42 2.00 0.04 4.51 0.00 0.04 -1.64 107.32 113.69 3bh3 s GLY 132 Ca 0.05 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 44.07 3bh3 s GLY 132 CO -0.05 -0.22 -0.07 -1.35 0.00 0.00 0.00 173.10 171.41 3bh3 s SER 133 N -0.39 0.80 -0.11 1.64 1.04 0.03 -0.28 113.70 116.43 3bh3 s SER 133 Ca 0.10 -0.50 -0.00 0.00 0.48 0.00 0.00 55.95 56.03 3bh3 s SER 133 Cb -0.12 0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.05 3bh3 s SER 133 CO 0.02 -0.18 -0.07 -0.22 0.98 0.00 0.00 173.24 173.77 3bh3 s LEU 134 N -1.41 1.18 -0.09 2.42 2.96 0.14 -1.19 118.68 122.69 3bh3 s LEU 134 Ca -0.09 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 3bh3 s LEU 134 Cb -0.09 -0.81 -0.03 0.00 0.50 0.00 0.00 46.19 45.76 3bh3 s LEU 134 CO 0.00 -0.11 -0.04 -1.81 -1.32 0.00 0.00 176.35 173.07 3bh3 s ASP 135 N 1.64 4.84 -0.28 3.68 -0.00 -0.61 -0.79 116.67 125.15 3bh3 s ASP 135 Ca 0.03 0.01 0.03 0.00 -0.00 0.00 0.00 52.55 52.63 3bh3 s ASP 135 Cb -0.13 -1.35 0.07 0.00 -0.00 0.00 0.00 42.92 41.51 3bh3 s ASP 135 CO -0.07 0.34 -0.06 0.12 -0.00 0.00 0.00 175.17 175.50 3bh3 s PHE 136 N -0.65 3.38 0.00 4.23 2.19 0.72 -0.51 117.98 127.33 3bh3 s PHE 136 Ca 0.10 -2.50 0.00 0.00 0.33 0.00 0.00 56.93 54.86 3bh3 s PHE 136 Cb -0.12 -2.20 0.00 0.00 -1.31 0.00 0.00 43.02 39.39 3bh3 s PHE 136 CO 0.02 -0.90 0.00 0.41 1.83 0.00 0.00 175.22 176.58 3bh3 n GLY 137 N 4.39 2.96 0.15 13.12 0.00 -1.26 -2.15 105.19 122.40 3bh3 n GLY 137 Ca -0.09 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3bh3 n GLY 137 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3bh3 n PRO 138 N 14.00 0.99 -4.47 1.61 -0.04 -1.26 -4.82 135.00 141.01 3bh3 n PRO 138 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 3bh3 n PRO 138 Cb 0.00 -1.15 -0.16 0.00 -0.04 0.00 0.00 33.50 32.15 3bh3 n PRO 138 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3bh3 s VAL 139 N -1.69 2.26 -0.09 0.52 1.01 -0.92 -5.09 120.40 116.41 3bh3 s VAL 139 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 3bh3 s VAL 139 Cb 0.00 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3bh3 s VAL 139 CO 0.00 0.53 1.37 -0.60 0.00 0.00 0.00 175.10 176.40 3bh3 s ARG 140 N 0.96 4.25 -0.03 2.72 6.06 -1.26 -0.20 118.95 131.45 3bh3 s ARG 140 Ca -0.03 1.84 0.12 0.00 -2.50 0.00 0.00 55.73 55.15 3bh3 s ARG 140 Cb -0.15 -3.74 -0.18 0.00 0.06 0.00 0.00 34.95 30.95 3bh3 s ARG 140 CO -0.04 -0.67 0.22 0.44 -2.50 0.00 0.00 175.30 172.75 3bh3 n ILE 141 N 5.13 0.12 -3.74 4.11 -5.35 0.03 -4.58 119.36 115.08 3bh3 n ILE 141 Ca 0.14 -0.30 -0.12 0.00 -0.27 0.00 0.00 62.75 62.20 3bh3 n ILE 141 Cb 0.44 0.08 -0.12 0.00 -1.74 0.00 0.00 39.64 38.30 3bh3 n ILE 141 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bh3 s ALA 142 N -2.73 -0.67 -0.14 -1.28 0.00 -1.05 -1.13 121.76 114.76 3bh3 s ALA 142 Ca -0.04 1.02 -0.01 0.00 0.00 0.00 0.00 51.96 52.92 3bh3 s ALA 142 Cb 0.07 -0.63 0.04 0.00 0.00 0.00 0.00 23.12 22.60 3bh3 s ALA 142 CO 0.49 -0.19 -0.03 0.99 0.00 0.00 0.00 175.76 177.02 3bh3 s THR 143 N 0.96 0.81 0.11 0.00 2.01 -0.42 0.27 115.64 119.38 3bh3 s THR 143 Ca -0.07 -0.36 0.10 0.00 0.31 0.00 0.00 61.69 61.67 3bh3 s THR 143 Cb -0.08 -1.01 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 3bh3 s THR 143 CO -0.07 0.15 -0.24 -0.83 -0.69 0.00 0.00 174.62 172.95 3bh3 s GLY 144 N 1.77 1.59 0.04 4.40 0.00 0.61 -1.01 107.32 114.73 3bh3 s GLY 144 Ca 0.02 -1.40 0.02 0.00 0.00 0.00 0.00 44.72 43.36 3bh3 s GLY 144 CO -0.07 -1.36 -0.07 -0.51 0.00 0.00 0.00 173.10 171.09 3bh3 s THR 145 N -1.05 0.43 0.02 0.90 -4.23 -0.58 -0.78 115.64 110.34 3bh3 s THR 145 Ca 0.15 -1.06 -0.01 0.00 -1.18 0.00 0.00 61.69 59.59 3bh3 s THR 145 Cb -0.10 -0.54 -0.02 0.00 1.34 0.00 0.00 72.50 73.18 3bh3 s THR 145 CO 0.07 -0.42 -0.01 -0.04 -0.54 0.00 0.00 174.62 173.67 3bh3 s MET 146 N -1.60 0.33 1.11 3.99 -1.94 -0.33 -1.16 119.30 119.71 3bh3 s MET 146 Ca -0.11 -0.59 -0.13 0.00 -1.71 0.00 0.00 55.69 53.15 3bh3 s MET 146 Cb -0.10 0.12 0.23 0.00 2.01 0.00 0.00 34.83 37.09 3bh3 s MET 146 CO -0.00 -0.06 0.86 0.41 -0.01 0.00 0.00 175.02 176.22 3bh3 n GLY 147 N 1.58 -1.79 3.40 -0.03 0.00 -0.63 -1.26 105.19 106.47 3bh3 n GLY 147 Ca -0.24 -1.02 -0.44 0.00 0.00 0.00 0.00 46.02 44.32 3bh3 n GLY 147 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3bh3 s TYR 148 N -2.42 3.14 -1.42 1.61 5.04 -1.22 -4.55 117.35 117.53 3bh3 s TYR 148 Ca 0.66 -0.82 -0.02 0.00 -2.44 0.00 0.00 57.07 54.45 3bh3 s TYR 148 Cb -0.23 -3.47 0.02 0.00 0.35 0.00 0.00 41.96 38.63 3bh3 s TYR 148 CO 0.64 -0.97 0.51 1.63 -1.34 0.00 0.00 175.55 176.02 3bh3 n LYS 149 N 5.71 -3.59 -0.04 4.97 5.02 -1.26 -4.89 118.16 124.07 3bh3 n LYS 149 Ca -0.10 0.44 -0.09 0.00 -2.02 0.00 0.00 58.31 56.54 3bh3 n LYS 149 Cb 0.44 -4.70 -0.02 0.00 -0.02 0.00 0.00 35.03 30.72 3bh3 n LYS 149 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3bh3 h TYR 150 N -1.82 0.01 -3.34 2.13 0.99 -1.76 -3.44 116.97 109.73 3bh3 h TYR 150 Ca -0.62 0.01 -0.21 0.00 2.00 0.00 0.00 58.73 59.91 3bh3 h TYR 150 Cb 1.37 0.03 -0.28 0.00 1.00 0.00 0.00 36.73 38.84 3bh3 h TYR 150 CO 0.50 -0.02 -0.57 -1.83 -0.00 0.00 0.00 178.16 176.25 3bh3 s GLU 151 N -6.19 0.14 0.39 4.88 -1.05 -0.80 -5.00 118.70 111.07 3bh3 s GLU 151 Ca -0.13 0.27 -0.26 0.00 -0.15 0.00 0.00 54.97 54.69 3bh3 s GLU 151 Cb 0.10 -0.02 -0.11 0.00 -0.44 0.00 0.00 34.13 33.66 3bh3 s GLU 151 CO 0.69 -0.07 1.26 0.00 0.95 0.00 0.00 175.26 178.08 3bh3 n ALA 152 N 3.46 1.20 -2.68 -0.84 0.00 -1.26 -0.45 120.51 119.94 3bh3 n ALA 152 Ca -0.18 0.30 -0.32 0.00 0.00 0.00 0.00 53.44 53.24 3bh3 n ALA 152 Cb 0.56 -2.25 -0.09 0.00 0.00 0.00 0.00 19.45 17.68 3bh3 n ALA 152 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3bh3 s LEU 153 N -1.35 3.48 -0.35 0.00 2.96 0.08 -4.75 118.68 118.75 3bh3 s LEU 153 Ca 0.59 -0.08 -0.28 0.00 -0.22 0.00 0.00 54.13 54.14 3bh3 s LEU 153 Cb -0.53 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 3bh3 s LEU 153 CO 0.59 0.24 2.04 -0.62 -1.32 0.00 0.00 176.35 177.28 3bh3 s ASP 154 N -1.86 5.44 0.25 3.68 2.15 -1.26 -4.76 116.67 120.31 3bh3 s ASP 154 Ca 0.22 1.34 -0.02 0.00 0.43 0.00 0.00 52.55 54.52 3bh3 s ASP 154 Cb -0.12 -2.52 0.30 0.00 -0.30 0.00 0.00 42.92 40.29 3bh3 s ASP 154 CO 0.13 -2.06 1.70 0.03 -0.17 0.00 0.00 175.17 174.80 3bh3 h ARG 155 N 14.93 0.71 -0.51 4.34 3.08 -1.95 -2.41 114.38 132.57 3bh3 h ARG 155 Ca -0.34 -0.24 -0.08 0.00 0.07 0.00 0.00 59.98 59.39 3bh3 h ARG 155 Cb 1.21 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 3bh3 h ARG 155 CO 1.05 0.82 -0.01 0.77 -1.07 0.00 0.00 179.97 181.53 3bh3 h SER 156 N 0.64 0.83 0.02 7.04 0.02 -1.99 0.24 113.55 120.35 3bh3 h SER 156 Ca 0.11 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3bh3 h SER 156 Cb 0.61 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3bh3 h SER 156 CO 0.04 0.90 -0.01 0.00 -1.14 0.00 0.00 176.83 176.62 3bh3 h ALA 157 N 1.19 -0.03 -0.23 3.77 0.00 -1.95 -3.19 119.26 118.82 3bh3 h ALA 157 Ca 0.15 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3bh3 h ALA 157 Cb 0.49 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3bh3 h ALA 157 CO 0.02 -0.37 -0.26 1.25 0.00 0.00 0.00 179.25 179.89 3bh3 h LEU 158 N -0.31 -0.90 -1.14 0.00 5.85 -0.92 -1.71 115.31 116.18 3bh3 h LEU 158 Ca -0.00 0.12 0.24 0.00 0.84 0.00 0.00 57.88 59.07 3bh3 h LEU 158 Cb 0.30 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 3bh3 h LEU 158 CO 0.00 -0.18 1.05 -0.07 -0.34 0.00 0.00 178.44 178.91 3bh3 h LEU 159 N -0.16 0.00 0.02 2.25 3.38 -1.06 0.24 115.31 119.97 3bh3 h LEU 159 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3bh3 h LEU 159 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3bh3 h LEU 159 CO -0.30 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.22 3bh3 h ALA 160 N 0.67 -0.02 -0.06 1.53 0.00 -1.29 -3.16 119.26 116.92 3bh3 h ALA 160 Ca 0.39 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3bh3 h ALA 160 Cb 2.48 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 20.28 3bh3 h ALA 160 CO -0.00 -0.11 0.10 0.66 0.00 0.00 0.00 179.25 179.90 3bh3 h SER 161 N -0.83 0.00 0.27 0.00 4.64 -0.38 0.14 113.55 117.39 3bh3 h SER 161 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bh3 h SER 161 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3bh3 h SER 161 CO 0.00 0.00 -0.07 0.18 -0.87 0.00 0.00 176.83 176.07 3bh3 n LEU 162 N -3.50 0.49 -0.01 5.97 4.77 -0.92 -3.65 117.00 120.15 3bh3 n LEU 162 Ca -0.01 -0.04 0.05 0.00 -0.03 0.00 0.00 56.01 55.98 3bh3 n LEU 162 Cb 0.19 -0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 41.04 3bh3 n LEU 162 CO 0.24 0.09 -0.70 0.00 -1.33 0.00 0.00 177.39 175.69 3bh3 n ALA 163 N -0.84 2.40 -1.47 -1.18 0.00 0.44 -4.34 120.51 115.53 3bh3 n ALA 163 Ca 0.17 -0.40 -0.38 0.00 0.00 0.00 0.00 53.44 52.82 3bh3 n ALA 163 Cb 0.26 -0.41 0.03 0.00 0.00 0.00 0.00 19.45 19.33 3bh3 n ALA 163 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3bh3 n GLU 164 N -2.05 0.52 -2.47 0.00 1.02 -1.00 -4.94 120.64 111.74 3bh3 n GLU 164 Ca -0.05 0.20 -0.37 0.00 -0.02 0.00 0.00 57.16 56.93 3bh3 n GLU 164 Cb 0.43 -1.68 -0.03 0.00 -0.02 0.00 0.00 31.44 30.14 3bh3 n GLU 164 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3bh3 s PRO 165 N -2.03 4.05 -0.17 3.49 0.04 -1.26 -4.79 135.00 134.34 3bh3 s PRO 165 Ca 0.68 1.58 -0.03 0.00 0.04 0.00 0.00 61.00 63.27 3bh3 s PRO 165 Cb -0.46 -2.50 -0.02 0.00 0.04 0.00 0.00 34.50 31.56 3bh3 s PRO 165 CO 0.55 -0.26 -0.05 -0.80 0.04 0.00 0.00 177.00 176.48 3bh3 s ASN 166 N -1.51 4.54 -0.05 6.66 0.01 -0.79 -2.23 114.94 121.58 3bh3 s ASN 166 Ca 0.59 -0.23 0.00 0.00 -0.71 0.00 0.00 52.86 52.52 3bh3 s ASN 166 Cb -0.24 -1.74 -0.03 0.00 0.41 0.00 0.00 41.25 39.65 3bh3 s ASN 166 CO 0.29 0.12 -0.02 -0.36 -1.51 0.00 0.00 177.10 175.63 3bh3 s PHE 167 N 0.63 3.06 0.01 2.20 0.08 0.45 -0.97 117.98 123.44 3bh3 s PHE 167 Ca -0.03 0.10 0.03 0.00 0.12 0.00 0.00 56.93 57.14 3bh3 s PHE 167 Cb -0.15 -1.72 -0.01 0.00 -0.57 0.00 0.00 43.02 40.58 3bh3 s PHE 167 CO 0.02 0.43 -0.08 -0.51 -0.10 0.00 0.00 175.22 174.98 3bh3 s LEU 168 N -1.15 2.09 -0.71 -0.37 1.43 -0.29 -2.95 118.68 116.73 3bh3 s LEU 168 Ca 0.16 -0.27 -0.17 0.00 -1.03 0.00 0.00 54.13 52.82 3bh3 s LEU 168 Cb -0.11 -0.37 0.15 0.00 0.03 0.00 0.00 46.19 45.89 3bh3 s LEU 168 CO 0.05 0.02 0.76 -0.22 0.23 0.00 0.00 176.35 177.19 3bh3 s LEU 169 N -0.62 5.91 -0.15 1.79 2.96 -1.26 -0.45 118.68 126.85 3bh3 s LEU 169 Ca -0.00 -1.99 -0.29 0.00 -0.22 0.00 0.00 54.13 51.63 3bh3 s LEU 169 Cb -0.05 -2.27 -0.02 0.00 0.50 0.00 0.00 46.19 44.34 3bh3 s LEU 169 CO 0.00 -0.89 1.38 -0.75 -1.32 0.00 0.00 176.35 174.77 3bh3 s LYS 170 N 1.71 4.17 -0.06 1.98 2.20 0.06 -4.91 119.74 124.88 3bh3 s LYS 170 Ca 0.15 1.75 0.02 0.00 -0.36 0.00 0.00 55.97 57.54 3bh3 s LYS 170 Cb -0.18 -3.84 0.01 0.00 -1.51 0.00 0.00 37.83 32.31 3bh3 s LYS 170 CO -0.02 -0.81 -0.12 0.42 -0.36 0.00 0.00 175.35 174.47 3bh3 s ILE 171 N 3.80 1.12 -0.05 5.43 1.01 -1.26 -0.39 121.20 130.85 3bh3 s ILE 171 Ca 0.60 -0.48 -0.00 0.00 0.00 0.00 0.00 60.65 60.77 3bh3 s ILE 171 Cb -0.24 -1.02 0.03 0.00 0.01 0.00 0.00 42.46 41.23 3bh3 s ILE 171 CO 0.20 0.35 -0.02 -0.63 0.00 0.00 0.00 174.94 174.84 3bh3 s ILE 172 N 0.61 0.40 0.56 2.92 -1.09 0.02 -4.95 121.20 119.67 3bh3 s ILE 172 Ca -0.13 0.03 -0.19 0.00 -2.23 0.00 0.00 60.65 58.12 3bh3 s ILE 172 Cb -0.15 -0.50 -0.05 0.00 -1.58 0.00 0.00 42.46 40.18 3bh3 s ILE 172 CO 0.03 0.23 1.13 -2.16 -1.23 0.00 0.00 174.94 172.95 3bh3 s PRO 173 N 1.43 3.26 0.74 2.79 0.04 -1.26 -0.43 135.00 141.57 3bh3 s PRO 173 Ca -0.03 1.60 -0.12 0.00 0.04 0.00 0.00 61.00 62.49 3bh3 s PRO 173 Cb -0.13 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.45 3bh3 s PRO 173 CO -0.03 -0.92 1.10 -1.58 0.04 0.00 0.00 177.00 175.62 3bh3 s HIS 174 N -1.82 3.15 0.61 0.56 2.46 0.82 -4.55 115.29 116.51 3bh3 s HIS 174 Ca 0.72 1.05 0.29 0.00 0.47 0.00 0.00 55.06 57.59 3bh3 s HIS 174 Cb -0.24 -3.13 1.55 0.00 -0.13 0.00 0.00 32.58 30.64 3bh3 s HIS 174 CO 0.29 -1.41 1.94 -0.39 -2.47 0.00 0.00 174.74 172.71 3bh3 h VAL 175 N -0.82 0.30 -0.06 0.89 -1.51 -1.97 -0.38 116.25 112.70 3bh3 h VAL 175 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 3bh3 h VAL 175 Cb 1.26 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 3bh3 h VAL 175 CO 0.63 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.07 3bh3 n ASP 176 N -3.53 2.15 0.00 4.19 5.75 -1.26 -4.95 116.55 118.90 3bh3 n ASP 176 Ca 0.04 -1.72 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 3bh3 n ASP 176 Cb 0.53 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 3bh3 n ASP 176 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3bh3 n GLY 177 N 1.25 3.05 3.78 6.12 0.00 -0.15 -5.06 105.19 114.17 3bh3 n GLY 177 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3bh3 n GLY 177 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bh3 s SER 178 N -1.15 5.51 -0.04 1.61 1.04 -1.26 -4.67 113.70 114.73 3bh3 s SER 178 Ca 0.00 1.98 -0.30 0.00 0.48 0.00 0.00 55.95 58.11 3bh3 s SER 178 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 3bh3 s SER 178 CO 0.00 -1.35 1.36 -2.16 0.98 0.00 0.00 173.24 172.06 3bh3 s PRO 179 N -3.87 4.28 -0.06 4.02 0.04 -1.26 -0.13 135.00 138.02 3bh3 s PRO 179 Ca 0.67 1.87 0.01 0.00 0.04 0.00 0.00 61.00 63.59 3bh3 s PRO 179 Cb -0.20 -3.64 -0.25 0.00 0.04 0.00 0.00 34.50 30.46 3bh3 s PRO 179 CO 0.36 -0.59 0.58 -0.09 0.04 0.00 0.00 177.00 177.30 3bh3 h ARG 180 N 7.95 0.16 -5.01 4.56 9.65 -0.99 -3.44 114.38 127.26 3bh3 h ARG 180 Ca -0.35 -0.28 -0.56 0.00 -1.10 0.00 0.00 59.98 57.69 3bh3 h ARG 180 Cb 1.16 0.10 -0.32 0.00 -1.39 0.00 0.00 29.97 29.52 3bh3 h ARG 180 CO 0.91 0.93 -0.83 0.42 2.80 0.00 0.00 179.97 184.20 3bh3 s ILE 181 N -2.59 1.39 -0.32 1.20 1.01 -0.55 -4.95 121.20 116.39 3bh3 s ILE 181 Ca -0.13 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 59.90 3bh3 s ILE 181 Cb 0.07 -1.22 0.17 0.00 0.01 0.00 0.00 42.46 41.49 3bh3 s ILE 181 CO 0.81 0.41 0.49 0.00 0.00 0.00 0.00 174.94 176.65 3bh3 s GLU 183 N 2.42 0.66 -0.04 0.00 -1.05 0.47 -1.40 118.70 119.76 3bh3 s GLU 183 Ca 0.11 0.24 -0.30 0.00 -0.15 0.00 0.00 54.97 54.87 3bh3 s GLU 183 Cb -0.11 0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 33.85 3bh3 s GLU 183 CO -0.23 -0.15 1.22 -0.51 0.95 0.00 0.00 175.26 176.55 3bh3 s LEU 184 N -0.60 4.29 -0.08 1.83 1.43 0.10 -0.76 118.68 124.88 3bh3 s LEU 184 Ca -0.07 1.86 0.01 0.00 -1.03 0.00 0.00 54.13 54.89 3bh3 s LEU 184 Cb -0.03 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.60 3bh3 s LEU 184 CO 0.03 -0.60 -0.08 -0.69 0.23 0.00 0.00 176.35 175.25 3bh3 s VAL 185 N 2.19 3.55 -0.15 -1.59 1.01 0.40 -0.77 120.40 125.04 3bh3 s VAL 185 Ca 0.57 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 3bh3 s VAL 185 Cb -0.26 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 3bh3 s VAL 185 CO 0.23 0.58 -0.05 -0.60 0.00 0.00 0.00 175.10 175.25 3bh3 s ARG 186 N -0.51 3.61 0.05 2.72 3.52 0.67 -1.14 118.95 127.88 3bh3 s ARG 186 Ca 0.07 -0.54 -0.01 0.00 -0.13 0.00 0.00 55.73 55.13 3bh3 s ARG 186 Cb -0.12 -2.87 -0.04 0.00 -1.56 0.00 0.00 34.95 30.36 3bh3 s ARG 186 CO 0.02 0.26 -0.03 1.52 -0.81 0.00 0.00 175.30 176.25 3bh3 s TYR 187 N 0.31 0.53 0.07 5.12 1.13 -0.15 0.02 117.35 124.39 3bh3 s TYR 187 Ca -0.04 -0.97 0.07 0.00 -1.41 0.00 0.00 57.07 54.72 3bh3 s TYR 187 Cb -0.14 -0.38 -0.03 0.00 -1.10 0.00 0.00 41.96 40.31 3bh3 s TYR 187 CO 0.03 -0.32 -0.18 -1.01 -2.51 0.00 0.00 175.55 171.55 3bh3 s HIS 188 N -3.50 1.59 -0.24 -3.49 3.76 -1.26 -1.88 115.29 110.26 3bh3 s HIS 188 Ca 0.04 -0.41 -0.16 0.00 -0.15 0.00 0.00 55.06 54.38 3bh3 s HIS 188 Cb 0.05 -0.90 -0.03 0.00 1.11 0.00 0.00 32.58 32.80 3bh3 s HIS 188 CO -0.08 0.12 0.42 0.95 -0.85 0.00 0.00 174.74 175.31 3bh3 s THR 189 N -1.06 5.15 0.51 1.30 -4.23 -1.26 -1.48 115.64 114.58 3bh3 s THR 189 Ca 0.04 0.71 0.01 0.00 -1.18 0.00 0.00 61.69 61.27 3bh3 s THR 189 Cb -0.09 -3.75 -0.00 0.00 1.34 0.00 0.00 72.50 69.99 3bh3 s THR 189 CO 0.03 0.17 0.02 0.42 -0.54 0.00 0.00 174.62 174.72 3bh3 s THR 190 N 1.89 0.94 -1.16 3.99 -4.23 0.46 -4.70 115.64 112.83 3bh3 s THR 190 Ca 0.18 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.39 3bh3 s THR 190 Cb -0.15 -2.06 0.04 0.00 1.34 0.00 0.00 72.50 71.66 3bh3 s THR 190 CO 0.09 0.00 0.69 -0.67 -0.54 0.00 0.00 174.62 174.19 3bh3 n ASP 191 N -1.34 -4.35 -4.69 3.99 2.03 -1.26 -0.16 116.55 110.77 3bh3 n ASP 191 Ca -0.19 -1.24 -0.39 0.00 0.52 0.00 0.00 54.79 53.49 3bh3 n ASP 191 Cb 0.67 -1.84 -0.06 0.00 -0.72 0.00 0.00 41.12 39.17 3bh3 n ASP 191 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3bh3 s VAL 192 N -3.46 5.08 -0.28 5.18 1.01 -1.26 -4.13 120.40 122.55 3bh3 s VAL 192 Ca 0.44 1.16 0.03 0.00 0.00 0.00 0.00 61.98 63.60 3bh3 s VAL 192 Cb -0.23 -3.92 0.07 0.00 0.00 0.00 0.00 36.38 32.30 3bh3 s VAL 192 CO 0.95 0.21 -0.05 0.00 0.00 0.00 0.00 175.10 176.21 3bh3 s ALA 193 N 1.25 2.54 -0.04 5.51 0.00 -0.71 -4.99 121.76 125.32 3bh3 s ALA 193 Ca 0.29 -1.91 -0.30 0.00 0.00 0.00 0.00 51.96 50.05 3bh3 s ALA 193 Cb -0.16 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.24 3bh3 s ALA 193 CO 0.12 -1.34 1.47 0.42 0.00 0.00 0.00 175.76 176.43 3bh3 s ILE 194 N 1.10 3.71 -0.12 0.00 -1.09 -1.26 -1.69 121.20 121.85 3bh3 s ILE 194 Ca -0.03 1.01 0.18 0.00 -2.23 0.00 0.00 60.65 59.58 3bh3 s ILE 194 Cb -0.19 -3.65 -0.19 0.00 -1.58 0.00 0.00 42.46 36.84 3bh3 s ILE 194 CO -0.07 -0.04 0.60 0.29 -1.23 0.00 0.00 174.94 174.49 3bh3 n LYS 195 N 6.09 0.64 -3.63 2.79 5.02 -0.05 -4.99 118.16 124.02 3bh3 n LYS 195 Ca 0.15 0.11 -0.03 0.00 -2.02 0.00 0.00 58.31 56.51 3bh3 n LYS 195 Cb 0.43 -1.70 -0.04 0.00 -0.02 0.00 0.00 35.03 33.70 3bh3 n LYS 195 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3bh3 s GLY 196 N -4.91 0.01 -0.07 0.72 0.00 -1.20 -4.98 107.32 96.89 3bh3 s GLY 196 Ca -0.05 2.62 -0.07 0.00 0.00 0.00 0.00 44.72 47.22 3bh3 s GLY 196 CO 0.83 1.04 0.20 0.00 0.00 0.00 0.00 173.10 175.17 3bh3 s ALA 197 N -1.16 -0.49 0.03 3.20 0.00 -1.26 -1.69 121.76 120.38 3bh3 s ALA 197 Ca 0.08 0.56 -0.10 0.00 0.00 0.00 0.00 51.96 52.50 3bh3 s ALA 197 Cb -0.01 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.79 3bh3 s ALA 197 CO -0.06 -0.09 0.21 -1.58 0.00 0.00 0.00 175.76 174.23 3bh3 s TRP 198 N 0.11 0.02 0.34 0.00 0.51 0.21 -0.74 118.94 119.39 3bh3 s TRP 198 Ca -0.00 -0.20 0.06 0.00 -2.12 0.00 0.00 56.10 53.84 3bh3 s TRP 198 Cb -0.01 -0.01 -0.07 0.00 -0.81 0.00 0.00 33.47 32.57 3bh3 s TRP 198 CO 0.00 -0.42 -0.01 -1.54 -0.51 0.00 0.00 176.95 174.47 3bh3 s SER 199 N -1.97 3.16 -0.14 2.95 1.04 0.40 -1.38 113.70 117.76 3bh3 s SER 199 Ca -0.06 -1.30 -0.34 0.00 0.48 0.00 0.00 55.95 54.73 3bh3 s SER 199 Cb -0.02 -0.25 0.14 0.00 0.10 0.00 0.00 66.02 66.00 3bh3 s SER 199 CO -0.03 -0.43 1.37 0.00 0.98 0.00 0.00 173.24 175.14 3bh3 s ALA 200 N -2.93 -2.33 0.59 5.32 0.00 -1.24 -1.90 121.76 119.26 3bh3 s ALA 200 Ca 0.34 1.22 -0.20 0.00 0.00 0.00 0.00 51.96 53.32 3bh3 s ALA 200 Cb 0.07 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 3bh3 s ALA 200 CO 0.16 -0.88 1.30 -2.14 0.00 0.00 0.00 175.76 174.19 3bh3 s PRO 201 N -2.15 2.89 0.17 0.00 0.02 -1.26 -4.04 135.00 130.63 3bh3 s PRO 201 Ca 0.13 2.07 0.02 0.00 0.02 0.00 0.00 61.00 63.24 3bh3 s PRO 201 Cb 0.04 -2.03 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 3bh3 s PRO 201 CO -0.05 -1.33 0.00 0.20 -0.33 0.00 0.00 177.00 175.49 3bh3 s GLY 202 N -1.27 1.21 0.05 0.52 0.00 -1.26 -1.60 107.32 104.98 3bh3 s GLY 202 Ca 0.77 -1.59 -0.08 0.00 0.00 0.00 0.00 44.72 43.82 3bh3 s GLY 202 CO 0.41 -1.53 0.16 -1.35 0.00 0.00 0.00 173.10 170.80 3bh3 s SER 203 N -3.17 0.10 -0.11 1.64 1.04 -0.31 -4.97 113.70 107.92 3bh3 s SER 203 Ca 0.24 -0.49 -0.05 0.00 0.48 0.00 0.00 55.95 56.13 3bh3 s SER 203 Cb 0.06 0.28 0.05 0.00 0.10 0.00 0.00 66.02 66.51 3bh3 s SER 203 CO 0.04 -0.59 0.25 -0.22 0.98 0.00 0.00 173.24 173.70 3bh3 s LEU 204 N -2.30 0.29 -0.05 2.42 2.96 -1.26 -1.53 118.68 119.21 3bh3 s LEU 204 Ca -0.02 0.55 0.05 0.00 -0.22 0.00 0.00 54.13 54.48 3bh3 s LEU 204 Cb 0.01 0.75 -0.00 0.00 0.50 0.00 0.00 46.19 47.44 3bh3 s LEU 204 CO -0.06 -0.18 -0.19 -0.70 -1.32 0.00 0.00 176.35 173.90 3bh3 s GLU 205 N 1.44 2.10 0.04 1.98 2.12 -0.18 -5.00 118.70 121.19 3bh3 s GLU 205 Ca -0.08 -0.69 0.08 0.00 0.36 0.00 0.00 54.97 54.64 3bh3 s GLU 205 Cb -0.11 -1.77 -0.03 0.00 0.26 0.00 0.00 34.13 32.49 3bh3 s GLU 205 CO -0.09 0.25 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.16 3bh3 s LEU 206 N 0.07 2.43 0.07 2.70 1.43 -1.26 -1.29 118.68 122.82 3bh3 s LEU 206 Ca -0.06 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 52.63 3bh3 s LEU 206 Cb -0.13 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 3bh3 s LEU 206 CO 0.03 0.26 -0.18 -1.00 0.23 0.00 0.00 176.35 175.70 3bh3 s HIS 207 N -0.86 1.58 0.76 0.29 3.76 -0.28 -4.95 115.29 115.59 3bh3 s HIS 207 Ca 0.13 -0.40 -0.12 0.00 -0.15 0.00 0.00 55.06 54.52 3bh3 s HIS 207 Cb -0.10 -0.90 0.05 0.00 1.11 0.00 0.00 32.58 32.74 3bh3 s HIS 207 CO 0.04 0.11 1.12 -1.25 -0.85 0.00 0.00 174.74 173.91 3bh3 s PRO 208 N -1.50 2.17 -0.28 8.40 0.04 -1.26 -4.49 135.00 138.08 3bh3 s PRO 208 Ca 0.04 1.38 -0.17 0.00 0.04 0.00 0.00 61.00 62.29 3bh3 s PRO 208 Cb -0.09 -1.87 0.09 0.00 0.04 0.00 0.00 34.50 32.66 3bh3 s PRO 208 CO 0.03 -1.74 0.74 -1.58 0.04 0.00 0.00 177.00 174.49 3bh3 s HIS 209 N -2.58 -0.97 0.40 0.56 2.46 -1.26 -4.94 115.29 108.97 3bh3 s HIS 209 Ca 0.65 1.97 0.14 0.00 0.47 0.00 0.00 55.06 58.29 3bh3 s HIS 209 Cb -0.21 0.57 0.99 0.00 -0.13 0.00 0.00 32.58 33.80 3bh3 s HIS 209 CO 0.51 -0.48 1.90 0.00 -2.47 0.00 0.00 174.74 174.20 3bh3 h ALA 210 N 6.68 2.04 -0.01 1.58 0.00 -2.01 -2.80 119.26 124.74 3bh3 h ALA 210 Ca -0.30 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3bh3 h ALA 210 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3bh3 h ALA 210 CO 0.16 -0.27 -0.26 1.28 0.00 0.00 0.00 179.25 180.16 3bh3 n LEU 211 N -4.51 0.99 -3.28 0.00 4.32 -1.26 -4.68 117.00 108.59 3bh3 n LEU 211 Ca 0.16 -0.70 -0.25 0.00 -0.02 0.00 0.00 56.01 55.20 3bh3 n LEU 211 Cb 0.53 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.25 3bh3 n LEU 211 CO 0.31 0.21 -0.26 0.00 -1.22 0.00 0.00 177.39 176.43 3bh3 n ALA 212 N -0.50 2.70 -1.29 -1.18 0.00 -1.07 -5.05 120.51 114.13 3bh3 n ALA 212 Ca 0.03 -3.48 -0.24 0.00 0.00 0.00 0.00 53.44 49.76 3bh3 n ALA 212 Cb 0.19 -0.81 -0.10 0.00 0.00 0.00 0.00 19.45 18.73 3bh3 n ALA 212 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3bh3 n PRO 213 N 1.72 2.70 0.21 0.00 -0.04 -1.17 -4.06 135.00 134.37 3bh3 n PRO 213 Ca 0.24 -1.83 0.05 0.00 -0.04 0.00 0.00 63.50 61.92 3bh3 n PRO 213 Cb 0.50 -2.25 0.47 0.00 -0.04 0.00 0.00 33.50 32.18 3bh3 n PRO 213 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3bh3 h VAL 214 N 2.25 1.13 0.00 0.52 -1.51 -1.87 -2.76 116.25 114.01 3bh3 h VAL 214 Ca 0.43 -0.84 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 3bh3 h VAL 214 Cb 0.96 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 3bh3 h VAL 214 CO 0.82 0.24 0.00 0.00 -1.23 0.00 0.00 177.57 177.39 3bh3 n ALA 215 N -2.47 1.69 0.29 5.19 0.00 -1.26 -2.24 120.51 121.70 3bh3 n ALA 215 Ca -0.02 -0.04 0.17 0.00 0.00 0.00 0.00 53.44 53.55 3bh3 n ALA 215 Cb 0.30 -1.26 0.81 0.00 0.00 0.00 0.00 19.45 19.31 3bh3 n ALA 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bh3 h ALA 216 N 2.50 1.06 -2.79 0.00 0.00 -1.87 -3.28 119.26 114.89 3bh3 h ALA 216 Ca 0.00 -0.04 -0.77 0.00 0.00 0.00 0.00 54.91 54.10 3bh3 h ALA 216 Cb 0.27 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 17.78 3bh3 h ALA 216 CO 0.00 0.06 -0.02 -0.51 0.00 0.00 0.00 179.25 178.78 3bh3 s LEU 217 N -6.47 6.45 0.45 0.00 1.02 -0.95 -4.89 118.68 114.30 3bh3 s LEU 217 Ca -0.01 -2.60 -0.22 0.00 0.02 0.00 0.00 54.13 51.32 3bh3 s LEU 217 Cb 0.11 -2.15 -0.08 0.00 0.02 0.00 0.00 46.19 44.08 3bh3 s LEU 217 CO 0.53 -0.58 1.06 -2.16 0.02 0.00 0.00 176.35 175.22 3bh3 s PRO 218 N 0.32 3.90 -0.87 1.29 0.04 -1.24 -4.94 135.00 133.50 3bh3 s PRO 218 Ca 0.16 1.48 -0.24 0.00 0.04 0.00 0.00 61.00 62.43 3bh3 s PRO 218 Cb -0.14 -2.29 0.05 0.00 0.04 0.00 0.00 34.50 32.16 3bh3 s PRO 218 CO -0.07 -0.36 1.31 0.08 0.04 0.00 0.00 177.00 178.00 3bh3 s VAL 219 N -1.80 3.95 -0.11 -0.36 1.01 -1.26 -4.38 120.40 117.45 3bh3 s VAL 219 Ca 0.64 -0.34 -0.26 0.00 0.00 0.00 0.00 61.98 62.02 3bh3 s VAL 219 Cb -0.20 -4.95 -0.27 0.00 0.00 0.00 0.00 36.38 30.96 3bh3 s VAL 219 CO 0.25 -1.83 0.77 -0.07 0.00 0.00 0.00 175.10 174.23 3bh3 h LEU 220 N 12.54 0.17 -7.19 3.92 3.38 -1.73 -3.47 115.31 122.94 3bh3 h LEU 220 Ca -0.04 -0.95 -0.10 0.00 0.09 0.00 0.00 57.88 56.88 3bh3 h LEU 220 Cb 1.03 -0.06 -0.26 0.00 0.09 0.00 0.00 40.66 41.46 3bh3 h LEU 220 CO 1.32 1.18 -0.29 -0.70 0.09 0.00 0.00 178.44 180.04 3bh3 s GLU 221 N -2.31 0.40 0.07 1.13 2.12 -1.20 -5.02 118.70 113.89 3bh3 s GLU 221 Ca -0.18 0.87 -0.31 0.00 0.36 0.00 0.00 54.97 55.72 3bh3 s GLU 221 Cb -0.01 0.06 -0.06 0.00 0.26 0.00 0.00 34.13 34.38 3bh3 s GLU 221 CO 0.73 -0.18 1.19 0.08 -0.54 0.00 0.00 175.26 176.55 3bh3 s VAL 222 N 1.66 4.03 -0.22 3.70 1.01 -1.26 -1.20 120.40 128.12 3bh3 s VAL 222 Ca -0.08 1.47 0.04 0.00 0.00 0.00 0.00 61.98 63.41 3bh3 s VAL 222 Cb -0.09 -3.94 -0.16 0.00 0.00 0.00 0.00 36.38 32.19 3bh3 s VAL 222 CO -0.13 0.12 -0.16 0.18 0.00 0.00 0.00 175.10 175.11 3bh3 n LEU 223 N 3.83 2.49 -3.52 3.92 4.77 0.16 -4.93 117.00 123.72 3bh3 n LEU 223 Ca 0.08 -0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 55.87 3bh3 n LEU 223 Cb 0.46 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 3bh3 n LEU 223 CO 0.55 0.81 0.54 -0.94 -1.33 0.00 0.00 177.39 177.03 3bh3 s SER 224 N -6.04 -0.43 0.01 -1.43 1.04 -1.08 -5.00 113.70 100.78 3bh3 s SER 224 Ca -0.27 -0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.10 3bh3 s SER 224 Cb 0.07 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.70 3bh3 s SER 224 CO 0.56 -0.87 -0.11 0.00 0.98 0.00 0.00 173.24 173.79 3bh3 s ALA 225 N -3.49 0.95 0.01 5.32 0.00 -1.26 -0.78 121.76 122.51 3bh3 s ALA 225 Ca 0.04 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.40 3bh3 s ALA 225 Cb -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 3bh3 s ALA 225 CO -0.08 0.20 -0.04 1.03 0.00 0.00 0.00 175.76 176.86 3bh3 s ARG 226 N -0.68 0.34 -0.05 0.00 0.52 -0.43 -3.72 118.95 114.93 3bh3 s ARG 226 Ca 0.02 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 54.89 3bh3 s ARG 226 Cb -0.06 -0.21 0.02 0.00 0.52 0.00 0.00 34.95 35.22 3bh3 s ARG 226 CO 0.00 0.05 -0.07 -1.58 0.02 0.00 0.00 175.30 173.72 3bh3 s HIS 227 N -0.62 0.98 0.04 -0.53 5.65 -0.48 -0.49 115.29 119.84 3bh3 s HIS 227 Ca -0.04 -0.30 -0.23 0.00 0.25 0.00 0.00 55.06 54.74 3bh3 s HIS 227 Cb -0.05 -0.78 0.05 0.00 -1.18 0.00 0.00 32.58 30.63 3bh3 s HIS 227 CO -0.00 -0.20 0.53 -0.59 -0.65 0.00 0.00 174.74 173.83 3bh3 s PHE 228 N 0.71 -0.43 -0.02 3.88 -0.71 -0.78 -0.62 117.98 120.00 3bh3 s PHE 228 Ca -0.11 0.50 0.07 0.00 -1.04 0.00 0.00 56.93 56.35 3bh3 s PHE 228 Cb -0.14 0.34 -0.02 0.00 -1.21 0.00 0.00 43.02 42.00 3bh3 s PHE 228 CO 0.01 -0.64 -0.23 0.08 -1.34 0.00 0.00 175.22 173.10 3bh3 s VAL 229 N -2.38 1.85 0.21 -2.49 1.01 -0.68 -0.42 120.40 117.50 3bh3 s VAL 229 Ca -0.06 -1.00 -0.20 0.00 0.00 0.00 0.00 61.98 60.72 3bh3 s VAL 229 Cb -0.01 -1.53 0.04 0.00 0.00 0.00 0.00 36.38 34.88 3bh3 s VAL 229 CO -0.01 0.52 0.61 0.00 0.00 0.00 0.00 175.10 176.22 3bh3 s ASP 231 N -2.85 5.12 0.22 0.00 1.11 -0.68 -0.53 116.67 119.05 3bh3 s ASP 231 Ca 0.07 -0.00 -0.23 0.00 0.18 0.00 0.00 52.55 52.57 3bh3 s ASP 231 Cb -0.03 -1.34 0.04 0.00 1.07 0.00 0.00 42.92 42.67 3bh3 s ASP 231 CO -0.03 0.28 0.77 -1.48 1.18 0.00 0.00 175.17 175.90 3bh3 s LEU 232 N -1.52 -0.29 -0.12 1.23 -0.00 0.70 -1.74 118.68 116.94 3bh3 s LEU 232 Ca 0.19 -0.44 0.02 0.00 -0.00 0.00 0.00 54.13 53.89 3bh3 s LEU 232 Cb -0.11 2.53 -0.01 0.00 -0.00 0.00 0.00 46.19 48.59 3bh3 s LEU 232 CO 0.10 -1.15 -0.17 -0.89 -0.00 0.00 0.00 176.35 174.24 3bh3 s THR 233 N -3.69 2.66 -0.57 5.48 2.01 0.78 0.33 115.64 122.64 3bh3 s THR 233 Ca 0.10 -0.80 -0.22 0.00 0.31 0.00 0.00 61.69 61.07 3bh3 s THR 233 Cb -0.04 -2.08 0.06 0.00 0.01 0.00 0.00 72.50 70.44 3bh3 s THR 233 CO 0.02 0.54 0.86 -0.22 -0.69 0.00 0.00 174.62 175.13 3bh3 s LEU 234 N 0.34 4.46 0.50 4.42 0.20 -0.48 -0.40 118.68 127.71 3bh3 s LEU 234 Ca -0.14 -0.72 -0.20 0.00 0.69 0.00 0.00 54.13 53.76 3bh3 s LEU 234 Cb -0.17 -2.60 -0.08 0.00 -0.43 0.00 0.00 46.19 42.92 3bh3 s LEU 234 CO 0.07 -1.20 1.07 -1.81 -0.29 0.00 0.00 176.35 174.20 3bh3 s ASP 235 N 3.07 6.13 0.45 3.68 -0.00 -0.55 -4.25 116.67 125.20 3bh3 s ASP 235 Ca 0.23 2.03 -0.24 0.00 -0.00 0.00 0.00 52.55 54.57 3bh3 s ASP 235 Cb -0.16 -2.57 -0.09 0.00 -0.00 0.00 0.00 42.92 40.10 3bh3 s ASP 235 CO 0.14 -0.93 1.21 0.18 -0.00 0.00 0.00 175.17 175.77 3bh3 n LEU 236 N -1.05 3.92 -4.95 1.23 4.77 -1.26 -4.43 117.00 115.23 3bh3 n LEU 236 Ca 0.10 1.06 -0.27 0.00 -0.03 0.00 0.00 56.01 56.87 3bh3 n LEU 236 Cb 0.52 -1.47 0.13 0.00 -2.33 0.00 0.00 43.42 40.26 3bh3 n LEU 236 CO 0.41 -0.88 0.71 -0.83 -1.33 0.00 0.00 177.39 175.47 3bh3 s GLY 237 N -0.67 1.74 0.07 -0.72 0.00 -1.26 -4.70 107.32 101.79 3bh3 s GLY 237 Ca 0.64 -1.27 0.06 0.00 0.00 0.00 0.00 44.72 44.15 3bh3 s GLY 237 CO 0.56 -0.66 -0.16 -0.51 0.00 0.00 0.00 173.10 172.33 3bh3 s THR 238 N -3.50 1.30 -0.10 0.90 -4.23 0.10 -4.93 115.64 105.19 3bh3 s THR 238 Ca 0.68 -1.33 -0.30 0.00 -1.18 0.00 0.00 61.69 59.57 3bh3 s THR 238 Cb -0.06 -1.21 -0.02 0.00 1.34 0.00 0.00 72.50 72.54 3bh3 s THR 238 CO 0.48 -0.13 1.13 -0.69 -0.54 0.00 0.00 174.62 174.88 3bh3 s VAL 239 N -1.16 4.46 -0.52 2.29 1.01 -1.26 -0.23 120.40 124.98 3bh3 s VAL 239 Ca 0.01 1.76 0.07 0.00 0.00 0.00 0.00 61.98 63.83 3bh3 s VAL 239 Cb -0.10 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 3bh3 s VAL 239 CO 0.03 -0.03 0.43 1.33 0.00 0.00 0.00 175.10 176.85 3bh3 n VAL 240 N 4.75 0.00 -3.41 2.92 0.24 0.05 -4.93 118.33 117.95 3bh3 n VAL 240 Ca 0.11 -0.39 0.02 0.00 -2.04 0.00 0.00 64.34 62.03 3bh3 n VAL 240 Cb 0.47 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.86 3bh3 n VAL 240 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3bh3 s PHE 241 N -1.34 -1.04 -0.35 6.34 5.36 -1.15 -4.99 117.98 120.81 3bh3 s PHE 241 Ca 0.05 1.57 -0.09 0.00 -0.96 0.00 0.00 56.93 57.49 3bh3 s PHE 241 Cb 0.06 0.54 0.02 0.00 -0.34 0.00 0.00 43.02 43.29 3bh3 s PHE 241 CO 0.22 -0.53 0.16 0.34 -1.46 0.00 0.00 175.22 173.95 3bh3 s ASP 242 N 2.73 5.55 0.44 6.13 -1.08 -1.26 0.01 116.67 129.19 3bh3 s ASP 242 Ca 0.01 -0.89 0.31 0.00 -0.52 0.00 0.00 52.55 51.45 3bh3 s ASP 242 Cb -0.10 -1.97 1.47 0.00 -1.46 0.00 0.00 42.92 40.86 3bh3 s ASP 242 CO -0.18 -0.31 1.92 1.88 0.52 0.00 0.00 175.17 179.00 3bh3 h TYR 243 N 8.36 0.00 -0.03 -5.34 0.05 -1.62 -3.49 116.97 114.89 3bh3 h TYR 243 Ca -0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.51 3bh3 h TYR 243 Cb 1.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.85 3bh3 h TYR 243 CO 0.59 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 178.98