#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bb6 s GLN 3 N 0.00 1.23 -0.23 3.23 -0.21 -1.26 -4.49 119.66 117.93 3bb6 s GLN 3 Ca 0.00 -0.90 -0.11 0.00 0.02 0.00 0.00 55.36 54.36 3bb6 s GLN 3 Cb 0.00 -1.33 -0.05 0.00 1.00 0.00 0.00 33.01 32.63 3bb6 s GLN 3 CO 0.00 0.33 0.19 0.42 -2.12 0.00 0.00 175.29 174.11 3bb6 s ILE 4 N -0.84 5.34 0.48 1.08 1.01 -1.26 -5.05 121.20 121.95 3bb6 s ILE 4 Ca 0.06 0.25 -0.21 0.00 0.00 0.00 0.00 60.65 60.74 3bb6 s ILE 4 Cb -0.09 -3.53 -0.10 0.00 0.01 0.00 0.00 42.46 38.75 3bb6 s ILE 4 CO 0.02 0.34 0.70 -2.65 0.00 0.00 0.00 174.94 173.34 3bb6 n PRO 5 N 4.26 0.78 0.10 2.79 -0.02 -1.26 -4.88 135.00 136.77 3bb6 n PRO 5 Ca -0.14 0.29 0.16 0.00 -2.02 0.00 0.00 63.50 61.78 3bb6 n PRO 5 Cb 0.52 -1.75 0.68 0.00 -0.02 0.00 0.00 33.50 32.93 3bb6 n PRO 5 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3bb6 h GLN 6 N 0.81 0.00 -0.00 -0.52 4.20 -2.04 -2.38 115.11 115.17 3bb6 h GLN 6 Ca -0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.28 3bb6 h GLN 6 Cb 1.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.16 3bb6 h GLN 6 CO 0.52 0.00 -0.14 0.27 -0.67 0.00 0.00 178.83 178.81 3bb6 n ASN 7 N -4.40 0.29 -4.73 1.46 6.94 -1.26 -4.93 115.26 108.63 3bb6 n ASN 7 Ca 0.05 -0.16 -0.34 0.00 -0.02 0.00 0.00 54.58 54.11 3bb6 n ASN 7 Cb 0.42 -0.16 0.08 0.00 -2.36 0.00 0.00 39.78 37.76 3bb6 n ASN 7 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 3bb6 s TYR 8 N -2.73 2.19 -0.10 -2.53 1.51 -0.90 -4.61 117.35 110.17 3bb6 s TYR 8 Ca 0.21 1.60 -0.02 0.00 -1.01 0.00 0.00 57.07 57.85 3bb6 s TYR 8 Cb 0.19 -3.37 -0.03 0.00 -0.11 0.00 0.00 41.96 38.64 3bb6 s TYR 8 CO 0.53 -2.36 -0.02 0.42 -1.11 0.00 0.00 175.55 173.01 3bb6 s ILE 9 N -2.13 4.09 -0.24 2.71 -1.09 -0.15 -4.86 121.20 119.53 3bb6 s ILE 9 Ca 0.72 -0.32 -0.29 0.00 -2.23 0.00 0.00 60.65 58.53 3bb6 s ILE 9 Cb -0.26 -2.73 0.00 0.00 -1.58 0.00 0.00 42.46 37.89 3bb6 s ILE 9 CO 0.45 0.57 1.14 -2.28 -1.23 0.00 0.00 174.94 173.59 3bb6 s HIS 10 N -0.51 3.09 -0.17 3.97 5.65 -1.26 -1.07 115.29 124.99 3bb6 s HIS 10 Ca 0.08 1.22 0.05 0.00 0.25 0.00 0.00 55.06 56.66 3bb6 s HIS 10 Cb -0.12 -3.50 -0.14 0.00 -1.18 0.00 0.00 32.58 27.65 3bb6 s HIS 10 CO 0.02 -1.01 -0.10 0.25 -0.65 0.00 0.00 174.74 173.25 3bb6 n THR 11 N 5.55 1.05 -3.71 0.89 -2.24 -0.68 -4.99 114.28 110.15 3bb6 n THR 11 Ca 0.13 -0.47 -0.14 0.00 -2.27 0.00 0.00 64.05 61.30 3bb6 n THR 11 Cb 0.46 -1.00 -0.08 0.00 -2.10 0.00 0.00 70.33 67.62 3bb6 n THR 11 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3bb6 s ARG 12 N -2.37 0.79 -0.04 -0.78 3.52 -1.23 -5.03 118.95 113.81 3bb6 s ARG 12 Ca -0.20 -0.21 0.01 0.00 -0.13 0.00 0.00 55.73 55.20 3bb6 s ARG 12 Cb 0.06 0.36 0.02 0.00 -1.56 0.00 0.00 34.95 33.82 3bb6 s ARG 12 CO 0.48 -0.24 -0.05 0.45 -0.81 0.00 0.00 175.30 175.13 3bb6 s SER 13 N -1.56 0.99 0.46 -2.12 0.15 -1.26 -1.07 113.70 109.29 3bb6 s SER 13 Ca -0.10 -0.14 -0.04 0.00 0.70 0.00 0.00 55.95 56.37 3bb6 s SER 13 Cb -0.03 -0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 63.78 3bb6 s SER 13 CO 0.03 -0.05 0.75 0.42 1.20 0.00 0.00 173.24 175.59 3bb6 s THR 14 N 0.89 4.90 0.98 6.45 -4.23 0.06 -5.00 115.64 119.68 3bb6 s THR 14 Ca -0.12 0.07 -0.15 0.00 -1.18 0.00 0.00 61.69 60.31 3bb6 s THR 14 Cb -0.14 -3.85 0.19 0.00 1.34 0.00 0.00 72.50 70.03 3bb6 s THR 14 CO 0.00 -0.79 1.24 -2.16 -0.54 0.00 0.00 174.62 172.38 3bb6 s PRO 15 N -4.68 0.56 0.22 3.99 0.04 -1.26 -4.29 135.00 129.58 3bb6 s PRO 15 Ca 0.46 -0.18 -0.30 0.00 0.04 0.00 0.00 61.00 61.02 3bb6 s PRO 15 Cb -0.10 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 3bb6 s PRO 15 CO 0.43 -2.50 1.37 -0.06 0.04 0.00 0.00 177.00 176.28 3bb6 s PHE 16 N -3.60 3.16 0.11 0.56 0.08 -1.26 -4.57 117.98 112.46 3bb6 s PHE 16 Ca 0.70 1.13 0.05 0.00 0.12 0.00 0.00 56.93 58.93 3bb6 s PHE 16 Cb -0.07 -3.70 -0.04 0.00 -0.57 0.00 0.00 43.02 38.64 3bb6 s PHE 16 CO 0.53 -2.23 -0.12 -1.58 -0.10 0.00 0.00 175.22 171.72 3bb6 s TRP 17 N 0.08 1.26 0.40 0.36 0.51 0.15 -4.94 118.94 116.77 3bb6 s TRP 17 Ca 0.58 -0.60 0.05 0.00 -2.12 0.00 0.00 56.10 54.00 3bb6 s TRP 17 Cb -0.39 -0.67 -0.02 0.00 -0.81 0.00 0.00 33.47 31.59 3bb6 s TRP 17 CO 0.40 0.09 0.17 0.27 -0.51 0.00 0.00 176.95 177.37 3bb6 n ASN 18 N 0.50 0.89 -0.31 2.95 0.23 -1.26 -1.27 115.26 116.99 3bb6 n ASN 18 Ca -0.15 -3.20 0.31 0.00 -0.53 0.00 0.00 54.58 51.00 3bb6 n ASN 18 Cb 0.57 1.16 0.67 0.00 -2.08 0.00 0.00 39.78 40.11 3bb6 n ASN 18 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3bb6 h LYS 19 N 0.00 0.12 0.13 -3.83 1.57 -1.83 -2.32 116.57 110.42 3bb6 h LYS 19 Ca -0.31 -0.01 -0.35 0.00 -1.87 0.00 0.00 60.65 58.11 3bb6 h LYS 19 Cb 1.23 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 3bb6 h LYS 19 CO 0.48 0.08 -1.87 1.96 -0.57 0.00 0.00 179.45 179.53 3bb6 h GLN 20 N 0.12 0.28 0.00 3.15 4.20 -1.96 -3.40 115.11 117.51 3bb6 h GLN 20 Ca 0.57 -0.48 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3bb6 h GLN 20 Cb 2.00 0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.96 3bb6 h GLN 20 CO -0.11 1.18 -0.61 1.79 -0.67 0.00 0.00 178.83 180.42 3bb6 h THR 21 N 0.08 0.00 -4.01 -0.54 1.35 -1.88 -3.47 112.91 104.44 3bb6 h THR 21 Ca -0.38 -0.75 -0.45 0.00 -0.55 0.00 0.00 66.41 64.29 3bb6 h THR 21 Cb 2.05 1.40 -0.02 0.00 -1.73 0.00 0.00 68.15 69.85 3bb6 h THR 21 CO 0.12 0.00 0.35 0.00 -0.25 0.00 0.00 175.52 175.74 3bb6 s ALA 22 N -3.24 3.07 0.03 6.62 0.00 -0.90 -4.86 121.76 122.48 3bb6 s ALA 22 Ca 0.04 0.46 -0.35 0.00 0.00 0.00 0.00 51.96 52.11 3bb6 s ALA 22 Cb 0.11 -3.17 -0.14 0.00 0.00 0.00 0.00 23.12 19.92 3bb6 s ALA 22 CO 0.73 0.10 1.67 -2.30 0.00 0.00 0.00 175.76 175.95 3bb6 n PRO 23 N -0.33 1.94 -0.29 0.00 -0.02 -1.26 -4.85 135.00 130.18 3bb6 n PRO 23 Ca 0.06 0.71 0.12 0.00 -2.02 0.00 0.00 63.50 62.37 3bb6 n PRO 23 Cb 0.53 -2.48 0.28 0.00 -0.02 0.00 0.00 33.50 31.81 3bb6 n PRO 23 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bb6 h ALA 24 N 6.99 1.25 0.00 3.55 0.00 -1.92 -1.26 119.26 127.86 3bb6 h ALA 24 Ca -0.47 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3bb6 h ALA 24 Cb 1.28 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3bb6 h ALA 24 CO 0.90 -0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.10 3bb6 n GLY 25 N -1.38 -0.64 0.22 0.00 0.00 -1.26 -2.47 105.19 99.66 3bb6 n GLY 25 Ca 0.21 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.30 3bb6 n GLY 25 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3bb6 h ILE 26 N 0.00 0.42 -0.01 -0.61 2.10 -1.59 -2.78 117.51 115.05 3bb6 h ILE 26 Ca 0.00 -1.16 0.00 0.00 1.08 0.00 0.00 64.86 64.78 3bb6 h ILE 26 Cb 0.10 1.85 0.00 0.00 -1.09 0.00 0.00 36.82 37.68 3bb6 h ILE 26 CO 0.00 0.19 -0.09 0.49 -1.08 0.00 0.00 178.15 177.66 3bb6 n PHE 27 N -3.27 0.00 -4.17 2.19 3.72 -1.03 -2.86 117.46 112.04 3bb6 n PHE 27 Ca 0.01 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.14 3bb6 n PHE 27 Cb 0.47 -0.07 -0.07 0.00 -0.94 0.00 0.00 39.48 38.86 3bb6 n PHE 27 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3bb6 s GLU 28 N -2.24 2.50 0.05 -1.08 0.41 -1.05 -4.67 118.70 112.63 3bb6 s GLU 28 Ca 0.33 -1.01 -0.33 0.00 -0.41 0.00 0.00 54.97 53.54 3bb6 s GLU 28 Cb 0.20 -2.44 -0.12 0.00 -1.78 0.00 0.00 34.13 29.99 3bb6 s GLU 28 CO 0.42 0.48 1.76 0.54 -0.49 0.00 0.00 175.26 177.96 3bb6 n ARG 29 N -0.00 2.29 -3.95 1.61 1.74 -1.26 -4.59 116.66 112.50 3bb6 n ARG 29 Ca -0.10 0.83 -0.10 0.00 -0.77 0.00 0.00 57.85 57.71 3bb6 n ARG 29 Cb 0.54 -2.66 -0.02 0.00 -1.02 0.00 0.00 32.46 29.30 3bb6 n ARG 29 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 3bb6 s HIS 30 N 2.61 0.42 -0.13 -1.55 -3.43 0.48 -4.92 115.29 108.77 3bb6 s HIS 30 Ca 0.85 -0.85 0.02 0.00 -0.80 0.00 0.00 55.06 54.28 3bb6 s HIS 30 Cb -0.64 0.37 0.00 0.00 -1.43 0.00 0.00 32.58 30.87 3bb6 s HIS 30 CO 0.44 -1.23 -0.20 -1.17 -2.00 0.00 0.00 174.74 170.57 3bb6 s LEU 31 N -3.08 2.26 0.15 5.38 2.96 -1.26 -1.68 118.68 123.40 3bb6 s LEU 31 Ca 0.21 -0.53 -0.33 0.00 -0.22 0.00 0.00 54.13 53.26 3bb6 s LEU 31 Cb -0.03 -1.48 -0.13 0.00 0.50 0.00 0.00 46.19 45.05 3bb6 s LEU 31 CO 0.13 0.11 1.66 0.47 -1.32 0.00 0.00 176.35 177.40 3bb6 n ASP 32 N 3.85 3.40 -4.58 3.68 9.92 -1.26 -4.83 116.55 126.72 3bb6 n ASP 32 Ca -0.19 1.06 -0.46 0.00 -0.53 0.00 0.00 54.79 54.67 3bb6 n ASP 32 Cb 0.52 -1.46 -0.04 0.00 -0.64 0.00 0.00 41.12 39.49 3bb6 n ASP 32 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3bb6 n LYS 33 N 3.98 1.87 -0.47 -1.24 5.02 -1.26 -1.05 118.16 125.01 3bb6 n LYS 33 Ca 0.17 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 3bb6 n LYS 33 Cb 0.31 -2.88 0.00 0.00 -0.02 0.00 0.00 35.03 32.43 3bb6 n LYS 33 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bb6 n GLY 34 N 5.55 0.74 3.70 0.72 0.00 -1.26 -5.03 105.19 109.60 3bb6 n GLY 34 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 3bb6 n GLY 34 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3bb6 n THR 35 N -2.00 1.97 -3.65 2.61 5.66 -0.22 -4.99 114.28 113.67 3bb6 n THR 35 Ca 0.00 -0.49 -0.03 0.00 -3.05 0.00 0.00 64.05 60.47 3bb6 n THR 35 Cb 0.00 -1.60 -0.01 0.00 -1.55 0.00 0.00 70.33 67.17 3bb6 n THR 35 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3bb6 s ARG 36 N -1.86 0.79 0.17 1.09 1.70 -1.26 -4.66 118.95 114.92 3bb6 s ARG 36 Ca 0.55 -0.40 -0.33 0.00 -0.47 0.00 0.00 55.73 55.08 3bb6 s ARG 36 Cb -0.56 0.29 -0.14 0.00 -0.57 0.00 0.00 34.95 33.97 3bb6 s ARG 36 CO 0.62 -0.36 1.54 -0.35 -1.08 0.00 0.00 175.30 175.68 3bb6 n PRO 37 N -0.38 2.11 0.00 3.89 -0.04 -1.26 -1.94 135.00 137.37 3bb6 n PRO 37 Ca -0.06 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 3bb6 n PRO 37 Cb 0.61 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 3bb6 n PRO 37 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bb6 n GLY 38 N 3.17 0.81 2.93 0.55 0.00 -1.26 -4.96 105.19 106.42 3bb6 n GLY 38 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3bb6 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bb6 s VAL 39 N -2.00 1.69 -0.19 1.61 1.01 -0.82 -0.96 120.40 120.74 3bb6 s VAL 39 Ca 0.00 -1.67 -0.02 0.00 0.00 0.00 0.00 61.98 60.28 3bb6 s VAL 39 Cb 0.00 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 3bb6 s VAL 39 CO 0.00 -0.39 -0.08 -0.31 0.00 0.00 0.00 175.10 174.32 3bb6 s TYR 40 N 1.25 2.91 0.07 5.22 2.02 0.04 -4.48 117.35 124.39 3bb6 s TYR 40 Ca 0.03 -0.87 -0.10 0.00 -0.37 0.00 0.00 57.07 55.75 3bb6 s TYR 40 Cb -0.19 -2.01 -0.06 0.00 -0.40 0.00 0.00 41.96 39.31 3bb6 s TYR 40 CO -0.11 -0.45 0.40 -1.25 -1.57 0.00 0.00 175.55 172.58 3bb6 s PRO 41 N 1.09 3.77 -0.15 -1.71 0.04 -1.26 -1.13 135.00 135.65 3bb6 s PRO 41 Ca 0.01 0.19 0.01 0.00 0.04 0.00 0.00 61.00 61.25 3bb6 s PRO 41 Cb -0.15 -3.01 0.02 0.00 0.04 0.00 0.00 34.50 31.40 3bb6 s PRO 41 CO -0.01 0.57 -0.16 0.50 0.04 0.00 0.00 177.00 177.93 3bb6 s ARG 42 N -1.85 2.47 -0.24 4.56 3.52 0.18 -1.96 118.95 125.62 3bb6 s ARG 42 Ca 0.32 -0.63 -0.06 0.00 -0.13 0.00 0.00 55.73 55.23 3bb6 s ARG 42 Cb -0.14 -2.19 -0.02 0.00 -1.56 0.00 0.00 34.95 31.04 3bb6 s ARG 42 CO 0.18 -0.19 0.03 -1.17 -0.81 0.00 0.00 175.30 173.34 3bb6 s LEU 43 N 1.32 3.26 -0.12 -0.88 0.20 -0.13 -1.03 118.68 121.31 3bb6 s LEU 43 Ca 0.02 -0.30 -0.00 0.00 0.69 0.00 0.00 54.13 54.54 3bb6 s LEU 43 Cb -0.13 -1.85 -0.02 0.00 -0.43 0.00 0.00 46.19 43.75 3bb6 s LEU 43 CO -0.09 -0.04 -0.10 -0.44 -0.29 0.00 0.00 176.35 175.39 3bb6 s SER 44 N 1.56 4.28 0.56 3.68 0.01 -1.06 -1.62 113.70 121.11 3bb6 s SER 44 Ca 0.06 -0.22 0.06 0.00 1.31 0.00 0.00 55.95 57.16 3bb6 s SER 44 Cb -0.15 -1.48 0.06 0.00 0.21 0.00 0.00 66.02 64.65 3bb6 s SER 44 CO 0.01 0.22 0.51 0.68 0.41 0.00 0.00 173.24 175.07 3bb6 s VAL 45 N 0.05 1.68 0.41 3.43 -7.23 -0.99 -2.42 120.40 115.32 3bb6 s VAL 45 Ca -0.03 -1.38 -0.25 0.00 -1.81 0.00 0.00 61.98 58.51 3bb6 s VAL 45 Cb -0.14 -2.06 -0.10 0.00 0.56 0.00 0.00 36.38 34.63 3bb6 s VAL 45 CO 0.04 0.00 1.18 1.57 -0.31 0.00 0.00 175.10 177.58 3bb6 n HIS 47 N -1.91 1.80 -1.81 2.82 -0.00 -1.11 -1.82 115.22 113.19 3bb6 n HIS 47 Ca 0.02 0.54 0.00 0.00 -0.00 0.00 0.00 57.72 58.28 3bb6 n HIS 47 Cb 0.64 -2.33 0.00 0.00 -0.00 0.00 0.00 29.99 28.30 3bb6 n HIS 47 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3bb6 n GLY 48 N 0.95 0.34 3.57 1.57 0.00 -1.26 -1.67 105.19 108.69 3bb6 n GLY 48 Ca 0.07 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 3bb6 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bb6 s ALA 49 N -2.00 -1.87 -0.04 4.61 0.00 -1.26 -2.24 121.76 118.96 3bb6 s ALA 49 Ca 0.00 1.58 0.05 0.00 0.00 0.00 0.00 51.96 53.58 3bb6 s ALA 49 Cb 0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 3bb6 s ALA 49 CO 0.00 -0.32 -0.18 0.08 0.00 0.00 0.00 175.76 175.33 3bb6 s VAL 50 N -0.81 1.51 -0.15 0.00 1.01 0.51 -4.38 120.40 118.10 3bb6 s VAL 50 Ca -0.04 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 3bb6 s VAL 50 Cb -0.01 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 3bb6 s VAL 50 CO 0.03 0.43 -0.01 -0.75 0.00 0.00 0.00 175.10 174.81 3bb6 s LYS 51 N -0.07 3.61 -0.12 2.72 2.20 0.45 -0.15 119.74 128.39 3bb6 s LYS 51 Ca -0.02 -0.46 -0.02 0.00 -0.36 0.00 0.00 55.97 55.11 3bb6 s LYS 51 Cb -0.11 -2.95 -0.03 0.00 -1.51 0.00 0.00 37.83 33.23 3bb6 s LYS 51 CO 0.02 0.34 -0.05 -0.47 -0.36 0.00 0.00 175.35 174.83 3bb6 s TYR 52 N 0.13 3.00 -0.13 4.03 6.14 0.95 -0.53 117.35 130.92 3bb6 s TYR 52 Ca 0.01 -0.17 0.01 0.00 0.64 0.00 0.00 57.07 57.55 3bb6 s TYR 52 Cb -0.13 -1.85 0.02 0.00 0.42 0.00 0.00 41.96 40.41 3bb6 s TYR 52 CO 0.02 0.12 -0.14 -0.51 0.64 0.00 0.00 175.55 175.69 3bb6 s LEU 53 N -0.14 1.63 -0.03 6.97 1.43 -0.82 -0.90 118.68 126.82 3bb6 s LEU 53 Ca 0.02 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 3bb6 s LEU 53 Cb -0.13 -1.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 3bb6 s LEU 53 CO 0.03 -0.05 -0.01 -0.83 0.23 0.00 0.00 176.35 175.72 3bb6 s GLY 54 N 1.40 1.85 0.07 -3.19 0.00 0.81 -2.45 107.32 105.81 3bb6 s GLY 54 Ca 0.02 -0.91 0.10 0.00 0.00 0.00 0.00 44.72 43.93 3bb6 s GLY 54 CO -0.08 -0.74 -0.26 -0.19 0.00 0.00 0.00 173.10 171.82 3bb6 s TYR 55 N -1.01 2.28 0.40 1.90 1.51 0.12 -0.55 117.35 121.99 3bb6 s TYR 55 Ca 0.17 -0.40 0.10 0.00 -1.01 0.00 0.00 57.07 55.93 3bb6 s TYR 55 Cb -0.11 -1.32 0.90 0.00 -0.11 0.00 0.00 41.96 41.31 3bb6 s TYR 55 CO 0.07 0.19 1.95 0.00 -1.11 0.00 0.00 175.55 176.65 3bb6 h ALA 56 N 4.50 1.89 -2.99 3.71 0.00 -1.86 -3.35 119.26 121.16 3bb6 h ALA 56 Ca -0.48 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 3bb6 h ALA 56 Cb 1.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3bb6 h ALA 56 CO 0.42 -0.03 0.20 0.16 0.00 0.00 0.00 179.25 179.99 3bb6 s ASP 57 N -6.13 0.09 0.43 0.00 1.47 -1.26 -4.90 116.67 106.37 3bb6 s ASP 57 Ca -0.09 -1.13 0.15 0.00 1.18 0.00 0.00 52.55 52.67 3bb6 s ASP 57 Cb 0.20 0.81 1.04 0.00 -0.34 0.00 0.00 42.92 44.63 3bb6 s ASP 57 CO 0.76 -1.59 1.95 -0.08 0.68 0.00 0.00 175.17 176.90 3bb6 h GLU 58 N 2.02 0.40 -0.29 2.11 4.81 -1.95 -3.05 114.58 118.62 3bb6 h GLU 58 Ca -0.30 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3bb6 h GLU 58 Cb 1.25 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3bb6 h GLU 58 CO 0.38 0.26 0.00 0.72 -0.73 0.00 0.00 179.01 179.64 3bb6 n HIS 59 N -4.47 0.43 -1.68 0.92 8.25 -1.26 -5.02 115.22 112.38 3bb6 n HIS 59 Ca 0.12 -0.53 -0.43 0.00 -0.26 0.00 0.00 57.72 56.62 3bb6 n HIS 59 Cb 0.45 -0.05 -0.01 0.00 1.12 0.00 0.00 29.99 31.50 3bb6 n HIS 59 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3bb6 n SER 60 N 0.28 2.54 0.08 0.41 7.64 -1.16 -4.90 113.62 118.51 3bb6 n SER 60 Ca 0.11 1.19 -0.09 0.00 1.01 0.00 0.00 58.87 61.09 3bb6 n SER 60 Cb 0.44 -1.46 0.01 0.00 -1.01 0.00 0.00 64.21 62.19 3bb6 n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bb6 h ALA 61 N 2.42 0.56 -3.08 -0.43 0.00 -1.95 -3.46 119.26 113.32 3bb6 h ALA 61 Ca -0.45 -0.69 -0.40 0.00 0.00 0.00 0.00 54.91 53.36 3bb6 h ALA 61 Cb 1.29 -0.07 -0.19 0.00 0.00 0.00 0.00 17.79 18.82 3bb6 h ALA 61 CO 0.62 0.87 -0.76 -1.21 0.00 0.00 0.00 179.25 178.77 3bb6 s GLU 62 N -3.31 0.92 0.54 0.00 0.41 -1.26 -5.14 118.70 110.85 3bb6 s GLU 62 Ca -0.03 -1.12 -0.16 0.00 -0.41 0.00 0.00 54.97 53.24 3bb6 s GLU 62 Cb 0.10 -0.83 -0.07 0.00 -1.78 0.00 0.00 34.13 31.56 3bb6 s GLU 62 CO 0.83 0.16 1.01 -1.25 -0.49 0.00 0.00 175.26 175.52 3bb6 s PRO 63 N -2.33 3.75 -0.02 0.39 0.04 -1.26 -4.68 135.00 130.88 3bb6 s PRO 63 Ca 0.04 1.05 0.10 0.00 0.04 0.00 0.00 61.00 62.23 3bb6 s PRO 63 Cb -0.07 -2.10 0.28 0.00 0.04 0.00 0.00 34.50 32.65 3bb6 s PRO 63 CO 0.02 -0.44 1.23 -0.40 0.04 0.00 0.00 177.00 177.45 3bb6 n ASP 64 N -1.69 2.86 -3.66 6.66 5.75 0.28 -4.94 116.55 121.82 3bb6 n ASP 64 Ca 0.07 -2.15 -0.08 0.00 -0.01 0.00 0.00 54.79 52.63 3bb6 n ASP 64 Cb 0.54 -0.23 -0.09 0.00 -1.03 0.00 0.00 41.12 40.30 3bb6 n ASP 64 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 3bb6 s GLN 65 N -1.26 0.36 -0.11 0.11 0.74 -1.07 -4.98 119.66 113.45 3bb6 s GLN 65 Ca 0.22 1.08 0.02 0.00 0.05 0.00 0.00 55.36 56.73 3bb6 s GLN 65 Cb 0.13 0.39 0.01 0.00 1.10 0.00 0.00 33.01 34.64 3bb6 s GLN 65 CO 0.12 -0.24 -0.16 0.08 -0.55 0.00 0.00 175.29 174.54 3bb6 s VAL 66 N 2.61 1.57 -0.08 1.34 1.01 -1.26 -0.14 120.40 125.45 3bb6 s VAL 66 Ca -0.03 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 3bb6 s VAL 66 Cb -0.12 -1.42 0.03 0.00 0.00 0.00 0.00 36.38 34.86 3bb6 s VAL 66 CO -0.14 0.45 -0.02 -0.63 0.00 0.00 0.00 175.10 174.77 3bb6 s ILE 67 N 0.93 0.55 -0.33 2.22 1.01 -0.08 -5.00 121.20 120.50 3bb6 s ILE 67 Ca -0.07 0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.47 3bb6 s ILE 67 Cb -0.15 -0.67 -0.00 0.00 0.01 0.00 0.00 42.46 41.65 3bb6 s ILE 67 CO -0.01 0.29 0.19 -0.22 0.00 0.00 0.00 174.94 175.19 3bb6 s LEU 68 N 1.86 4.37 -0.28 2.97 2.96 -1.26 -0.04 118.68 129.26 3bb6 s LEU 68 Ca 0.04 -0.58 -0.10 0.00 -0.22 0.00 0.00 54.13 53.27 3bb6 s LEU 68 Cb -0.12 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 3bb6 s LEU 68 CO -0.06 -0.25 0.16 -0.63 -1.32 0.00 0.00 176.35 174.25 3bb6 s ILE 69 N 1.64 4.98 0.41 6.68 1.01 0.79 -4.98 121.20 131.73 3bb6 s ILE 69 Ca 0.05 0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.79 3bb6 s ILE 69 Cb -0.18 -3.38 0.01 0.00 0.01 0.00 0.00 42.46 38.92 3bb6 s ILE 69 CO 0.08 0.25 0.54 -1.61 0.00 0.00 0.00 174.94 174.20 3bb6 s GLU 70 N 1.71 2.83 0.21 2.79 2.02 -1.26 -0.36 118.70 126.64 3bb6 s GLU 70 Ca 0.07 -1.24 -0.32 0.00 0.02 0.00 0.00 54.97 53.49 3bb6 s GLU 70 Cb -0.16 -2.73 -0.13 0.00 0.10 0.00 0.00 34.13 31.21 3bb6 s GLU 70 CO 0.09 -0.23 1.50 0.00 0.02 0.00 0.00 175.26 176.64 3bb6 n ALA 71 N -1.80 1.41 -0.14 5.21 0.00 -0.95 -0.96 120.51 123.27 3bb6 n ALA 71 Ca 0.07 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3bb6 n ALA 71 Cb 0.59 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3bb6 n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bb6 n GLY 72 N 2.68 0.86 3.68 0.00 0.00 -0.75 -5.02 105.19 106.64 3bb6 n GLY 72 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 3bb6 n GLY 72 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bb6 s GLN 73 N -0.66 2.17 0.11 1.61 -0.21 -0.14 -5.02 119.66 117.51 3bb6 s GLN 73 Ca 0.00 -1.74 -0.07 0.00 0.02 0.00 0.00 55.36 53.56 3bb6 s GLN 73 Cb 0.00 -1.98 -0.01 0.00 1.00 0.00 0.00 33.01 32.02 3bb6 s GLN 73 CO 0.00 0.07 0.19 -0.59 -2.12 0.00 0.00 175.29 172.83 3bb6 s PHE 74 N -2.52 0.31 -0.05 0.91 -0.12 -1.26 -2.34 117.98 112.90 3bb6 s PHE 74 Ca 0.37 -0.73 -0.09 0.00 -0.05 0.00 0.00 56.93 56.44 3bb6 s PHE 74 Cb 0.01 -0.12 0.02 0.00 -0.63 0.00 0.00 43.02 42.29 3bb6 s PHE 74 CO 0.21 -0.58 0.21 0.00 -0.05 0.00 0.00 175.22 175.01 3bb6 s ALA 75 N -3.91 -0.53 -0.21 1.99 0.00 -0.64 -4.97 121.76 113.49 3bb6 s ALA 75 Ca 0.10 0.40 -0.09 0.00 0.00 0.00 0.00 51.96 52.37 3bb6 s ALA 75 Cb 0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 3bb6 s ALA 75 CO -0.07 -0.15 0.11 0.08 0.00 0.00 0.00 175.76 175.73 3bb6 s VAL 76 N -0.44 5.16 0.06 0.00 1.01 -1.26 -0.96 120.40 123.97 3bb6 s VAL 76 Ca -0.05 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 61.97 3bb6 s VAL 76 Cb -0.04 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 3bb6 s VAL 76 CO 0.01 0.42 0.32 -0.36 0.00 0.00 0.00 175.10 175.49 3bb6 s PHE 77 N 0.59 3.55 0.28 5.22 0.08 -0.83 -4.43 117.98 122.44 3bb6 s PHE 77 Ca 0.06 0.59 -0.29 0.00 0.12 0.00 0.00 56.93 57.41 3bb6 s PHE 77 Cb -0.12 -2.01 -0.10 0.00 -0.57 0.00 0.00 43.02 40.22 3bb6 s PHE 77 CO 0.01 0.55 1.28 -1.25 -0.10 0.00 0.00 175.22 175.71 3bb6 s PRO 78 N -2.04 4.41 0.66 0.24 0.04 -1.26 -4.24 135.00 132.80 3bb6 s PRO 78 Ca 0.32 2.11 -0.12 0.00 0.04 0.00 0.00 61.00 63.35 3bb6 s PRO 78 Cb -0.13 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 3bb6 s PRO 78 CO 0.19 -0.15 1.05 -1.25 0.04 0.00 0.00 177.00 176.89 3bb6 s PRO 79 N -1.21 3.13 -1.41 0.56 0.04 -1.26 -3.98 135.00 130.87 3bb6 s PRO 79 Ca 0.51 0.98 -0.09 0.00 0.04 0.00 0.00 61.00 62.44 3bb6 s PRO 79 Cb -0.38 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.17 3bb6 s PRO 79 CO 0.46 -0.95 1.10 0.39 0.04 0.00 0.00 177.00 178.05 3bb6 n GLU 80 N -2.80 -7.30 -4.36 4.56 1.02 -1.26 -4.93 120.64 105.57 3bb6 n GLU 80 Ca 0.08 0.80 -0.20 0.00 -0.02 0.00 0.00 57.16 57.81 3bb6 n GLU 80 Cb 0.53 -5.81 -0.16 0.00 -0.02 0.00 0.00 31.44 25.99 3bb6 n GLU 80 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3bb6 s LYS 81 N -6.31 0.98 0.28 3.49 2.20 -1.26 -5.09 119.74 114.03 3bb6 s LYS 81 Ca 0.57 -0.28 -0.29 0.00 -0.36 0.00 0.00 55.97 55.61 3bb6 s LYS 81 Cb -0.26 -0.91 -0.10 0.00 -1.51 0.00 0.00 37.83 35.06 3bb6 s LYS 81 CO 0.71 0.08 1.27 -1.58 -0.36 0.00 0.00 175.35 175.46 3bb6 s TRP 82 N 0.32 3.23 0.04 4.03 0.52 -1.26 -4.66 118.94 121.16 3bb6 s TRP 82 Ca -0.05 1.41 -0.06 0.00 0.02 0.00 0.00 56.10 57.42 3bb6 s TRP 82 Cb -0.10 -3.57 0.02 0.00 -1.15 0.00 0.00 33.47 28.67 3bb6 s TRP 82 CO 0.01 -1.60 0.28 -2.39 0.02 0.00 0.00 176.95 173.27 3bb6 n HIS 83 N 1.47 -0.69 -3.55 -1.98 1.44 -0.67 -0.71 115.22 110.53 3bb6 n HIS 83 Ca 0.02 -0.31 -0.07 0.00 -2.01 0.00 0.00 57.72 55.34 3bb6 n HIS 83 Cb 0.43 0.15 -0.03 0.00 0.12 0.00 0.00 29.99 30.66 3bb6 n HIS 83 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3bb6 s ASN 84 N -1.66 -0.27 0.36 4.39 2.20 -1.03 -0.39 114.94 118.55 3bb6 s ASN 84 Ca 0.06 0.07 0.08 0.00 -0.94 0.00 0.00 52.86 52.14 3bb6 s ASN 84 Cb -0.01 0.27 -0.05 0.00 -2.00 0.00 0.00 41.25 39.46 3bb6 s ASN 84 CO 0.01 -0.42 0.08 0.27 -2.94 0.00 0.00 177.10 174.10 3bb6 s ILE 85 N -2.45 2.59 -0.09 0.54 -4.36 -1.13 -1.94 121.20 114.36 3bb6 s ILE 85 Ca 0.05 -1.85 -0.04 0.00 -0.26 0.00 0.00 60.65 58.55 3bb6 s ILE 85 Cb -0.01 -2.89 0.04 0.00 1.25 0.00 0.00 42.46 40.85 3bb6 s ILE 85 CO -0.06 -0.14 0.19 -0.70 0.24 0.00 0.00 174.94 174.48 3bb6 s GLU 86 N -3.79 0.14 0.00 0.37 2.12 0.31 -4.39 118.70 113.45 3bb6 s GLU 86 Ca 0.37 0.47 0.00 0.00 0.36 0.00 0.00 54.97 56.17 3bb6 s GLU 86 Cb 0.01 -0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.24 3bb6 s GLU 86 CO 0.21 -0.18 0.00 0.00 -0.54 0.00 0.00 175.26 174.74 3bb6 n ALA 87 N 4.38 0.00 -0.68 6.30 0.00 -1.26 -0.41 120.51 128.83 3bb6 n ALA 87 Ca -0.23 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 52.94 3bb6 n ALA 87 Cb 0.52 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.99 3bb6 n ALA 87 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3bb6 n THR 89 N -0.89 0.00 0.06 0.00 -2.24 -1.26 -4.97 114.28 104.99 3bb6 n THR 89 Ca 0.00 -0.03 -0.11 0.00 -2.27 0.00 0.00 64.05 61.65 3bb6 n THR 89 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3bb6 n THR 89 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3bb6 h ASP 90 N -0.68 0.44 -0.18 3.42 3.32 -2.00 -3.10 116.42 117.63 3bb6 h ASP 90 Ca -0.27 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.46 3bb6 h ASP 90 Cb 0.95 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.37 3bb6 h ASP 90 CO 0.14 1.09 0.00 -0.90 -1.72 0.00 0.00 179.24 177.85 3bb6 n ASP 91 N -3.77 1.30 -4.74 6.45 5.68 -1.26 -4.65 116.55 115.57 3bb6 n ASP 91 Ca -0.05 -1.79 -0.42 0.00 -0.50 0.00 0.00 54.79 52.04 3bb6 n ASP 91 Cb 0.77 -0.12 -0.02 0.00 -1.14 0.00 0.00 41.12 40.60 3bb6 n ASP 91 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3bb6 s THR 92 N -1.76 2.63 -0.06 2.12 2.01 -1.18 -4.69 115.64 114.71 3bb6 s THR 92 Ca 0.25 0.50 -0.06 0.00 0.31 0.00 0.00 61.69 62.70 3bb6 s THR 92 Cb 0.13 -3.32 0.02 0.00 0.01 0.00 0.00 72.50 69.34 3bb6 s THR 92 CO 0.19 0.07 0.17 -0.72 -0.69 0.00 0.00 174.62 173.64 3bb6 s TYR 93 N 0.30 -0.17 0.30 4.92 1.13 -0.67 -4.31 117.35 118.86 3bb6 s TYR 93 Ca 0.62 0.41 0.01 0.00 -1.41 0.00 0.00 57.07 56.70 3bb6 s TYR 93 Cb -0.43 0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.47 3bb6 s TYR 93 CO 0.40 -0.11 0.33 -0.59 -2.51 0.00 0.00 175.55 173.07 3bb6 s PHE 94 N -0.04 1.29 0.14 -3.49 -0.71 -0.39 -2.76 117.98 112.02 3bb6 s PHE 94 Ca -0.01 -1.41 -0.10 0.00 -1.04 0.00 0.00 56.93 54.37 3bb6 s PHE 94 Cb -0.02 -0.40 -0.00 0.00 -1.21 0.00 0.00 43.02 41.39 3bb6 s PHE 94 CO 0.00 -0.92 0.27 0.54 -1.34 0.00 0.00 175.22 173.78 3bb6 s ASN 95 N -3.25 0.03 -0.05 1.98 4.22 -1.02 0.32 114.94 117.17 3bb6 s ASN 95 Ca 0.36 -0.75 0.03 0.00 -2.14 0.00 0.00 52.86 50.36 3bb6 s ASN 95 Cb 0.02 0.41 0.00 0.00 1.28 0.00 0.00 41.25 42.97 3bb6 s ASN 95 CO 0.20 -0.85 -0.16 -0.63 -2.04 0.00 0.00 177.10 173.63 3bb6 s ILE 96 N -3.92 1.34 -0.06 0.54 1.01 -1.26 -2.57 121.20 116.29 3bb6 s ILE 96 Ca 0.12 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.15 3bb6 s ILE 96 Cb 0.03 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 3bb6 s ILE 96 CO -0.04 0.39 -0.12 -1.81 0.00 0.00 0.00 174.94 173.36 3bb6 s ASP 97 N 0.27 4.23 -0.05 3.58 1.01 -0.19 -0.76 116.67 124.75 3bb6 s ASP 97 Ca -0.08 -0.14 0.03 0.00 0.71 0.00 0.00 52.55 53.07 3bb6 s ASP 97 Cb -0.13 -0.97 -0.03 0.00 1.01 0.00 0.00 42.92 42.81 3bb6 s ASP 97 CO 0.03 0.35 -0.14 -0.36 0.21 0.00 0.00 175.17 175.26 3bb6 s PHE 98 N -0.74 2.71 0.02 4.23 0.40 -0.23 0.47 117.98 124.82 3bb6 s PHE 98 Ca 0.11 -0.18 0.04 0.00 -0.60 0.00 0.00 56.93 56.31 3bb6 s PHE 98 Cb -0.11 -1.64 -0.02 0.00 0.51 0.00 0.00 43.02 41.77 3bb6 s PHE 98 CO 0.01 0.17 -0.14 -0.06 0.70 0.00 0.00 175.22 175.90 3bb6 s PHE 99 N -0.68 1.21 0.02 0.36 0.40 -0.28 -1.68 117.98 117.32 3bb6 s PHE 99 Ca 0.10 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.15 3bb6 s PHE 99 Cb -0.11 -0.74 -0.02 0.00 0.51 0.00 0.00 43.02 42.66 3bb6 s PHE 99 CO 0.01 0.01 -0.04 0.14 0.70 0.00 0.00 175.22 176.04 3bb6 s VAL 100 N -0.60 0.19 0.54 -0.44 -7.23 -0.23 -0.78 120.40 111.85 3bb6 s VAL 100 Ca 0.03 -0.90 -0.22 0.00 -1.81 0.00 0.00 61.98 59.09 3bb6 s VAL 100 Cb -0.07 -0.32 -0.05 0.00 0.56 0.00 0.00 36.38 36.51 3bb6 s VAL 100 CO 0.00 -0.45 1.34 0.00 -0.31 0.00 0.00 175.10 175.68 3bb6 s ALA 101 N -1.37 2.84 0.21 1.32 0.00 -0.13 -0.98 121.76 123.65 3bb6 s ALA 101 Ca -0.14 1.29 -0.09 0.00 0.00 0.00 0.00 51.96 53.03 3bb6 s ALA 101 Cb -0.10 -3.55 0.15 0.00 0.00 0.00 0.00 23.12 19.63 3bb6 s ALA 101 CO -0.01 -1.29 1.80 -1.35 0.00 0.00 0.00 175.76 174.90 3bb6 h PRO 102 N 1.53 1.12 0.00 0.00 0.11 -1.93 -2.17 132.00 130.67 3bb6 h PRO 102 Ca -0.51 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 65.43 3bb6 h PRO 102 Cb 1.29 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3bb6 h PRO 102 CO 0.58 0.88 -0.03 0.93 -0.21 0.00 0.00 178.00 180.14 3bb6 h GLU 103 N 1.10 0.00 0.00 1.05 3.07 -1.98 -2.20 114.58 115.62 3bb6 h GLU 103 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 3bb6 h GLU 103 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 3bb6 h GLU 103 CO -0.03 0.03 -1.45 1.33 -1.40 0.00 0.00 179.01 177.49 3bb6 n VAL 104 N -3.47 0.00 1.26 3.13 0.24 -1.03 -2.93 118.33 115.53 3bb6 n VAL 104 Ca -0.02 -0.23 0.01 0.00 -2.04 0.00 0.00 64.34 62.06 3bb6 n VAL 104 Cb 0.13 0.55 0.05 0.00 -1.47 0.00 0.00 33.84 33.10 3bb6 n VAL 104 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3bb6 n LEU 105 N -1.84 1.04 -3.30 1.34 7.94 -0.83 -5.02 117.00 116.33 3bb6 n LEU 105 Ca 0.00 -0.52 0.03 0.00 -1.11 0.00 0.00 56.01 54.41 3bb6 n LEU 105 Cb 0.44 -0.27 -0.03 0.00 0.53 0.00 0.00 43.42 44.08 3bb6 n LEU 105 CO 0.44 0.21 0.59 -1.83 -1.11 0.00 0.00 177.39 175.69 3bb6 s GLU 107 N -1.59 0.27 0.87 1.96 -1.05 -1.15 -5.10 118.70 112.91 3bb6 s GLU 107 Ca 0.07 0.60 -0.12 0.00 -0.15 0.00 0.00 54.97 55.37 3bb6 s GLU 107 Cb 0.04 0.35 0.11 0.00 -0.44 0.00 0.00 34.13 34.20 3bb6 s GLU 107 CO 0.04 -0.16 1.12 0.20 0.95 0.00 0.00 175.26 177.40 3bb6 s GLY 108 N 2.60 1.59 0.00 -3.83 0.00 -1.26 -5.18 107.32 101.24 3bb6 s GLY 108 Ca -0.00 -0.40 0.13 0.00 0.00 0.00 0.00 44.72 44.44 3bb6 s GLY 108 CO -0.16 0.11 1.19 0.00 0.00 0.00 0.00 173.10 174.24