#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bb4 s TRP 8 N 0.00 2.82 0.15 -1.84 -0.00 -1.25 -4.89 118.94 113.93 3bb4 s TRP 8 Ca 0.00 -1.00 -0.12 0.00 -0.00 0.00 0.00 56.10 54.98 3bb4 s TRP 8 Cb 0.00 -4.42 0.00 0.00 -0.00 0.00 0.00 33.47 29.05 3bb4 s TRP 8 CO 0.00 -1.68 1.56 0.28 -0.00 0.00 0.00 176.95 177.11 3bb4 h VAL 9 N 6.14 1.27 -0.74 5.86 2.07 -1.95 -3.08 116.25 125.81 3bb4 h VAL 9 Ca 0.06 -1.25 0.14 0.00 0.82 0.00 0.00 66.70 66.47 3bb4 h VAL 9 Cb 1.03 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 3bb4 h VAL 9 CO 1.22 0.43 0.50 1.23 0.02 0.00 0.00 177.57 180.97 3bb4 h GLY 10 N 0.76 0.70 2.00 2.17 0.00 -1.79 -1.66 103.07 105.25 3bb4 h GLY 10 Ca 0.12 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 3bb4 h GLY 10 CO 0.05 0.07 -0.01 -2.75 0.00 0.00 0.00 176.54 173.90 3bb4 h PHE 11 N 0.42 0.00 0.00 5.60 3.57 -1.72 -2.39 116.94 122.42 3bb4 h PHE 11 Ca 0.36 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.82 3bb4 h PHE 11 Cb 0.82 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 3bb4 h PHE 11 CO -0.00 0.01 -0.20 1.96 -2.23 0.00 0.00 178.31 177.85 3bb4 h GLN 12 N 0.00 0.00 -0.02 1.11 4.20 -1.44 -3.08 115.11 115.88 3bb4 h GLN 12 Ca -0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 3bb4 h GLN 12 Cb 0.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3bb4 h GLN 12 CO 0.00 0.18 -0.69 1.96 -0.67 0.00 0.00 178.83 179.61 3bb4 h GLN 13 N 0.00 0.11 -6.89 1.46 1.08 -1.46 -3.47 115.11 105.94 3bb4 h GLN 13 Ca -0.00 -0.09 -0.55 0.00 -1.45 0.00 0.00 58.65 56.56 3bb4 h GLN 13 Cb 1.14 0.02 0.11 0.00 -0.05 0.00 0.00 27.48 28.70 3bb4 h GLN 13 CO 0.02 0.76 0.71 1.19 -0.95 0.00 0.00 178.83 180.56 3bb4 n PHE 14 N -3.76 2.81 -0.97 2.96 3.72 -1.17 -4.89 117.46 116.16 3bb4 n PHE 14 Ca -0.02 0.47 -0.38 0.00 -0.05 0.00 0.00 57.45 57.47 3bb4 n PHE 14 Cb 0.68 -2.50 -0.05 0.00 -0.94 0.00 0.00 39.48 36.66 3bb4 n PHE 14 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3bb4 n PRO 15 N 0.44 0.00 -0.20 -1.08 -0.02 -1.26 -4.68 135.00 128.20 3bb4 n PRO 15 Ca 0.02 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.55 3bb4 n PRO 15 Cb 0.38 -0.95 0.10 0.00 -0.02 0.00 0.00 33.50 33.01 3bb4 n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bb4 n ALA 16 N 1.14 0.17 0.17 3.55 0.00 -1.26 -0.66 120.51 123.62 3bb4 n ALA 16 Ca 0.13 0.62 0.03 0.00 0.00 0.00 0.00 53.44 54.23 3bb4 n ALA 16 Cb 0.04 -0.39 0.30 0.00 0.00 0.00 0.00 19.45 19.41 3bb4 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bb4 h ALA 17 N 1.13 1.06 0.11 0.00 0.00 -1.88 -1.71 119.26 117.97 3bb4 h ALA 17 Ca 0.28 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3bb4 h ALA 17 Cb 0.47 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3bb4 h ALA 17 CO -0.57 0.55 -0.05 1.15 0.00 0.00 0.00 179.25 180.33 3bb4 h THR 18 N 0.00 1.08 -0.57 0.00 2.02 -1.22 -2.91 112.91 111.32 3bb4 h THR 18 Ca -0.00 -1.20 0.11 0.00 0.77 0.00 0.00 66.41 66.09 3bb4 h THR 18 Cb 0.90 1.79 -0.11 0.00 -1.74 0.00 0.00 68.15 68.99 3bb4 h THR 18 CO 0.06 0.27 -0.15 1.56 0.37 0.00 0.00 175.52 177.63 3bb4 h GLN 19 N -0.75 -0.01 -0.21 6.66 4.20 -1.40 0.14 115.11 123.73 3bb4 h GLN 19 Ca -0.01 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.74 3bb4 h GLN 19 Cb 0.55 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.29 3bb4 h GLN 19 CO 0.02 -0.00 -0.08 1.49 -0.67 0.00 0.00 178.83 179.59 3bb4 h GLU 20 N -0.01 -0.05 -0.09 1.46 4.81 -1.40 -1.41 114.58 117.90 3bb4 h GLU 20 Ca 0.27 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 3bb4 h GLU 20 Cb 0.42 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 3bb4 h GLU 20 CO -0.59 -0.03 0.02 0.87 -0.73 0.00 0.00 179.01 178.56 3bb4 h LYS 21 N -0.05 0.14 -0.39 1.92 6.56 -1.20 -1.83 116.57 121.72 3bb4 h LYS 21 Ca 0.11 -0.03 0.08 0.00 -1.06 0.00 0.00 60.65 59.74 3bb4 h LYS 21 Cb 0.21 -0.02 -0.07 0.00 -0.57 0.00 0.00 32.23 31.78 3bb4 h LYS 21 CO -0.24 0.32 -0.07 -0.07 -2.06 0.00 0.00 179.45 177.33 3bb4 h LEU 22 N -0.06 -0.31 -0.40 2.94 3.38 -0.69 0.33 115.31 120.49 3bb4 h LEU 22 Ca 0.03 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.19 3bb4 h LEU 22 Cb 0.24 0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 3bb4 h LEU 22 CO 0.00 -0.11 -0.07 0.40 0.09 0.00 0.00 178.44 178.76 3bb4 h ILE 23 N 0.03 0.63 -0.71 1.22 2.04 -1.17 0.07 117.51 119.62 3bb4 h ILE 23 Ca 0.19 -0.01 0.13 0.00 1.00 0.00 0.00 64.86 66.17 3bb4 h ILE 23 Cb 0.28 0.59 -0.09 0.00 -0.74 0.00 0.00 36.82 36.86 3bb4 h ILE 23 CO -0.38 0.01 0.25 -0.08 0.00 0.00 0.00 178.15 177.95 3bb4 h GLU 24 N 0.03 0.39 -0.08 2.37 4.22 -0.90 -1.90 114.58 118.71 3bb4 h GLU 24 Ca 0.20 -0.02 -0.12 0.00 0.08 0.00 0.00 59.36 59.49 3bb4 h GLU 24 Cb 0.29 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.46 3bb4 h GLU 24 CO -0.39 0.26 -0.43 0.74 -2.18 0.00 0.00 179.01 177.01 3bb4 h PHE 25 N 0.40 0.59 -0.79 0.92 0.04 0.47 -2.74 116.94 115.82 3bb4 h PHE 25 Ca 0.39 -0.26 -0.01 0.00 2.80 0.00 0.00 57.97 60.89 3bb4 h PHE 25 Cb 0.58 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.60 3bb4 h PHE 25 CO -0.19 1.03 0.47 0.74 -0.60 0.00 0.00 178.31 179.76 3bb4 h PHE 26 N -0.02 1.04 -0.31 -0.55 0.04 -1.11 -2.64 116.94 113.40 3bb4 h PHE 26 Ca -0.03 -0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.80 3bb4 h PHE 26 Cb 1.08 -0.34 -0.08 0.00 2.20 0.00 0.00 35.95 38.81 3bb4 h PHE 26 CO 0.12 0.70 -0.34 0.78 -0.60 0.00 0.00 178.31 178.97 3bb4 h GLY 27 N 1.11 -0.37 0.69 -1.45 0.00 -1.30 -0.35 103.07 101.40 3bb4 h GLY 27 Ca 0.28 0.43 0.13 0.00 0.00 0.00 0.00 47.33 48.17 3bb4 h GLY 27 CO -0.05 -0.21 0.53 1.70 0.00 0.00 0.00 176.54 178.51 3bb4 h LYS 28 N -0.32 0.61 0.36 4.80 3.64 -1.16 -2.22 116.57 122.29 3bb4 h LYS 28 Ca 0.14 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3bb4 h LYS 28 Cb 0.55 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3bb4 h LYS 28 CO -0.48 0.41 -0.17 -0.07 -2.27 0.00 0.00 179.45 176.86 3bb4 h LEU 29 N 0.63 -0.41 -0.93 5.20 3.38 -1.31 -3.30 115.31 118.57 3bb4 h LEU 29 Ca 0.39 -0.14 0.25 0.00 0.09 0.00 0.00 57.88 58.48 3bb4 h LEU 29 Cb 0.65 0.11 -0.14 0.00 0.09 0.00 0.00 40.66 41.37 3bb4 h LEU 29 CO -0.16 -0.06 0.41 0.11 0.09 0.00 0.00 178.44 178.84 3bb4 h LYS 30 N -0.80 0.33 0.00 1.13 1.57 -0.67 0.29 116.57 118.42 3bb4 h LYS 30 Ca -0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3bb4 h LYS 30 Cb 0.52 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3bb4 h LYS 30 CO 0.08 0.22 0.00 1.96 -0.57 0.00 0.00 179.45 181.14 3bb4 h GLN 31 N 0.34 0.00 -0.32 3.15 7.50 -1.49 -1.87 115.11 122.43 3bb4 h GLN 31 Ca 0.61 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.76 3bb4 h GLN 31 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.78 3bb4 h GLN 31 CO -0.58 0.00 0.00 1.63 -1.50 0.00 0.00 178.83 178.38 3bb4 n LYS 32 N -2.80 2.24 -0.70 1.46 4.76 1.00 -4.94 118.16 119.18 3bb4 n LYS 32 Ca -0.01 -1.87 0.00 0.00 -2.87 0.00 0.00 58.31 53.56 3bb4 n LYS 32 Cb 0.12 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 3bb4 n LYS 32 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3bb4 n ASP 33 N 1.09 0.00 -4.66 4.39 5.75 -0.70 -5.04 116.55 117.37 3bb4 n ASP 33 Ca 0.18 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.54 3bb4 n ASP 33 Cb 0.51 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.57 3bb4 n ASP 33 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3bb4 s MET 34 N -0.15 4.22 0.00 0.11 -1.94 -1.17 -4.86 119.30 115.51 3bb4 s MET 34 Ca 0.00 1.95 0.00 0.00 -1.71 0.00 0.00 55.69 55.93 3bb4 s MET 34 Cb 0.00 -3.83 0.00 0.00 2.01 0.00 0.00 34.83 33.01 3bb4 s MET 34 CO 0.00 -0.75 0.68 0.09 -0.01 0.00 0.00 175.02 175.04 3bb4 n ASN 35 N 6.63 1.24 -3.67 3.03 4.13 -1.26 -2.64 115.26 122.71 3bb4 n ASN 35 Ca 0.15 -1.46 -0.10 0.00 1.68 0.00 0.00 54.58 54.85 3bb4 n ASN 35 Cb 0.44 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.63 3bb4 n ASN 35 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3bb4 s SER 36 N -0.46 -0.17 -0.10 6.41 1.04 -1.26 -1.31 113.70 117.85 3bb4 s SER 36 Ca 0.00 -0.37 -0.19 0.00 0.48 0.00 0.00 55.95 55.87 3bb4 s SER 36 Cb 0.00 0.45 0.04 0.00 0.10 0.00 0.00 66.02 66.61 3bb4 s SER 36 CO 0.00 -0.83 0.46 0.00 0.98 0.00 0.00 173.24 173.85 3bb4 s MET 37 N -3.80 0.68 -0.24 4.02 0.23 -0.54 -4.92 119.30 114.73 3bb4 s MET 37 Ca 0.03 0.31 -0.03 0.00 -1.03 0.00 0.00 55.69 54.97 3bb4 s MET 37 Cb 0.02 0.32 0.01 0.00 -1.53 0.00 0.00 34.83 33.65 3bb4 s MET 37 CO -0.12 -0.15 -0.04 0.99 -2.03 0.00 0.00 175.02 173.67 3bb4 s THR 38 N -0.53 3.20 -0.31 3.16 2.01 -1.26 -1.30 115.64 120.62 3bb4 s THR 38 Ca -0.06 -0.74 -0.12 0.00 0.31 0.00 0.00 61.69 61.07 3bb4 s THR 38 Cb -0.03 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 3bb4 s THR 38 CO 0.04 0.29 0.21 -0.69 -0.69 0.00 0.00 174.62 173.78 3bb4 s VAL 39 N 1.41 5.23 0.16 3.82 1.01 -0.71 -0.52 120.40 130.81 3bb4 s VAL 39 Ca 0.03 -0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 3bb4 s VAL 39 Cb -0.15 -3.58 -0.07 0.00 0.00 0.00 0.00 36.38 32.57 3bb4 s VAL 39 CO -0.03 0.13 0.63 -0.22 0.00 0.00 0.00 175.10 175.61 3bb4 s LEU 40 N 1.73 4.41 -0.21 3.92 2.96 0.23 -1.02 118.68 130.70 3bb4 s LEU 40 Ca 0.06 1.29 0.01 0.00 -0.22 0.00 0.00 54.13 55.27 3bb4 s LEU 40 Cb -0.17 -3.29 0.03 0.00 0.50 0.00 0.00 46.19 43.27 3bb4 s LEU 40 CO 0.10 0.13 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.41 3bb4 s VAL 41 N -1.37 2.21 0.10 1.68 1.01 -0.88 -0.48 120.40 122.66 3bb4 s VAL 41 Ca 0.37 -1.11 0.08 0.00 0.00 0.00 0.00 61.98 61.32 3bb4 s VAL 41 Cb -0.17 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3bb4 s VAL 41 CO 0.20 0.36 -0.20 -0.76 0.00 0.00 0.00 175.10 174.70 3bb4 s LEU 42 N 1.25 2.29 0.00 3.92 1.43 -0.72 -3.95 118.68 122.90 3bb4 s LEU 42 Ca 0.01 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 3bb4 s LEU 42 Cb -0.15 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.22 3bb4 s LEU 42 CO -0.10 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.14 3bb4 n GLY 43 N 1.14 0.44 3.68 -3.19 0.00 -1.26 -1.13 105.19 104.88 3bb4 n GLY 43 Ca -0.20 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 3bb4 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bb4 s LYS 44 N -2.00 1.19 0.22 1.61 1.02 -1.26 -2.23 119.74 118.29 3bb4 s LYS 44 Ca 0.00 1.59 -0.30 0.00 0.02 0.00 0.00 55.97 57.28 3bb4 s LYS 44 Cb 0.00 -1.74 -0.09 0.00 -0.52 0.00 0.00 37.83 35.47 3bb4 s LYS 44 CO 0.00 -2.51 1.37 0.20 -0.92 0.00 0.00 175.35 173.49 3bb4 s GLY 45 N -2.57 2.37 0.00 -3.33 0.00 -1.26 -3.70 107.32 98.83 3bb4 s GLY 45 Ca 0.68 1.21 0.00 0.00 0.00 0.00 0.00 44.72 46.61 3bb4 s GLY 45 CO 0.56 2.17 0.00 0.61 0.00 0.00 0.00 173.10 176.45 3bb4 n GLY 46 N 2.34 0.66 0.36 0.20 0.00 -1.26 -4.97 105.19 102.52 3bb4 n GLY 46 Ca 0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 3bb4 n GLY 46 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3bb4 n VAL 47 N -1.31 0.00 -0.78 1.61 0.24 -1.24 -4.91 118.33 111.93 3bb4 n VAL 47 Ca 0.00 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 3bb4 n VAL 47 Cb 0.00 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 3bb4 n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bb4 n GLY 48 N 1.24 1.10 0.25 7.63 0.00 -1.26 -4.46 105.19 109.69 3bb4 n GLY 48 Ca 0.16 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 3bb4 n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bb4 h LYS 49 N 0.00 -0.54 -0.40 1.61 1.57 -1.91 -1.79 116.57 115.11 3bb4 h LYS 49 Ca 0.00 0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 3bb4 h LYS 49 Cb 0.33 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3bb4 h LYS 49 CO 0.00 -0.31 0.04 0.77 -0.57 0.00 0.00 179.45 179.38 3bb4 h SER 50 N -0.66 0.58 0.11 0.86 0.02 -1.93 -2.58 113.55 109.95 3bb4 h SER 50 Ca -0.06 -0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 60.67 3bb4 h SER 50 Cb 0.48 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3bb4 h SER 50 CO 0.09 0.62 -0.39 0.28 -1.14 0.00 0.00 176.83 176.29 3bb4 h SER 51 N 0.60 0.40 -0.53 3.07 0.02 -1.85 -1.77 113.55 113.47 3bb4 h SER 51 Ca 0.13 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 3bb4 h SER 51 Cb 0.32 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 3bb4 h SER 51 CO 0.01 0.76 0.19 0.74 -1.14 0.00 0.00 176.83 177.38 3bb4 h THR 52 N 0.32 1.23 -0.27 -2.27 2.02 -1.02 -2.11 112.91 110.80 3bb4 h THR 52 Ca 0.03 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 3bb4 h THR 52 Cb 0.83 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 3bb4 h THR 52 CO 0.07 0.28 0.13 0.58 0.37 0.00 0.00 175.52 176.94 3bb4 h VAL 53 N 0.73 1.15 -0.73 3.16 2.07 -1.36 -0.38 116.25 120.88 3bb4 h VAL 53 Ca 0.17 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.30 3bb4 h VAL 53 Cb 0.24 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 3bb4 h VAL 53 CO -0.01 0.15 0.48 0.78 0.02 0.00 0.00 177.57 179.00 3bb4 h ASN 54 N 0.30 0.77 -0.14 0.57 2.35 -1.35 0.70 115.58 118.79 3bb4 h ASN 54 Ca 0.09 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 3bb4 h ASN 54 Cb 0.12 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 3bb4 h ASN 54 CO -0.01 0.53 -0.03 0.28 -1.65 0.00 0.00 177.43 176.55 3bb4 h SER 55 N 0.90 0.27 -0.12 5.81 0.02 -1.09 -1.15 113.55 118.19 3bb4 h SER 55 Ca 0.29 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 3bb4 h SER 55 Cb 0.05 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 3bb4 h SER 55 CO -0.08 0.56 0.03 -0.07 -1.14 0.00 0.00 176.83 176.13 3bb4 h LEU 56 N -0.03 0.17 -1.40 5.07 3.38 -0.91 -2.98 115.31 118.61 3bb4 h LEU 56 Ca 0.04 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3bb4 h LEU 56 Cb 0.44 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3bb4 h LEU 56 CO 0.01 0.34 0.00 0.40 0.09 0.00 0.00 178.44 179.29 3bb4 h ILE 57 N -0.01 0.00 0.00 1.22 1.08 -0.87 -3.47 117.51 115.47 3bb4 h ILE 57 Ca 0.04 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 3bb4 h ILE 57 Cb 0.24 1.49 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 3bb4 h ILE 57 CO -0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 3bb4 n GLY 58 N 0.05 0.64 3.25 5.37 0.00 -0.47 -4.15 105.19 109.88 3bb4 n GLY 58 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3bb4 n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bb4 s GLU 59 N -0.03 1.02 -1.31 1.61 2.02 -0.98 -4.50 118.70 116.54 3bb4 s GLU 59 Ca 0.00 -1.23 -0.18 0.00 0.02 0.00 0.00 54.97 53.58 3bb4 s GLU 59 Cb 0.00 0.32 0.07 0.00 0.10 0.00 0.00 34.13 34.63 3bb4 s GLU 59 CO 0.00 -0.34 1.76 1.04 0.02 0.00 0.00 175.26 177.74 3bb4 n GLN 60 N -0.14 3.19 -0.09 1.61 1.13 -1.26 -4.47 117.38 117.35 3bb4 n GLN 60 Ca -0.08 -3.26 -0.18 0.00 -1.94 0.00 0.00 57.00 51.54 3bb4 n GLN 60 Cb 0.63 -3.48 -0.13 0.00 0.11 0.00 0.00 30.24 27.37 3bb4 n GLN 60 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 3bb4 n VAL 61 N 6.29 1.56 -3.80 5.09 0.24 -1.26 -5.00 118.33 121.45 3bb4 n VAL 61 Ca 0.49 -0.62 -0.22 0.00 -2.04 0.00 0.00 64.34 61.95 3bb4 n VAL 61 Cb 0.46 -1.41 -0.04 0.00 -1.47 0.00 0.00 33.84 31.37 3bb4 n VAL 61 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3bb4 s VAL 62 N -2.53 3.03 0.24 3.34 1.01 -1.26 -5.09 120.40 119.14 3bb4 s VAL 62 Ca -0.29 -1.44 -0.27 0.00 0.00 0.00 0.00 61.98 59.97 3bb4 s VAL 62 Cb 0.08 -3.07 -0.09 0.00 0.00 0.00 0.00 36.38 33.31 3bb4 s VAL 62 CO 0.67 -0.10 0.89 -0.60 0.00 0.00 0.00 175.10 175.95 3bb4 s ARG 63 N -4.01 4.68 -0.15 2.72 3.52 -1.26 -4.96 118.95 119.49 3bb4 s ARG 63 Ca 0.43 1.32 0.02 0.00 -0.13 0.00 0.00 55.73 57.37 3bb4 s ARG 63 Cb -0.04 -3.12 0.01 0.00 -1.56 0.00 0.00 34.95 30.25 3bb4 s ARG 63 CO 0.26 0.46 -0.20 0.08 -0.81 0.00 0.00 175.30 175.09 3bb4 s VAL 64 N -1.31 1.94 -0.24 7.11 1.01 -1.26 -4.77 120.40 122.89 3bb4 s VAL 64 Ca 0.42 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 3bb4 s VAL 64 Cb -0.23 -1.74 0.07 0.00 0.00 0.00 0.00 36.38 34.48 3bb4 s VAL 64 CO 0.28 0.52 0.60 -0.55 0.00 0.00 0.00 175.10 175.95 3bb4 s SER 65 N 1.04 -0.74 0.43 3.32 0.15 -1.26 -5.07 113.70 111.56 3bb4 s SER 65 Ca -0.02 1.27 0.29 0.00 0.70 0.00 0.00 55.95 58.19 3bb4 s SER 65 Cb -0.14 1.19 1.42 0.00 -1.71 0.00 0.00 66.02 66.78 3bb4 s SER 65 CO -0.06 -0.22 1.61 -0.65 1.20 0.00 0.00 173.24 175.13 3bb4 h PRO 66 N 6.43 0.07 0.00 5.44 0.11 -2.01 -3.47 132.00 138.58 3bb4 h PRO 66 Ca -0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3bb4 h PRO 66 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3bb4 h PRO 66 CO 0.18 0.05 0.00 1.19 -0.21 0.00 0.00 178.00 179.21 3bb4 n PHE 67 N -4.75 0.00 -0.83 0.65 3.01 -1.26 -4.95 117.46 109.33 3bb4 n PHE 67 Ca 0.38 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.84 3bb4 n PHE 67 Cb 1.43 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.88 3bb4 n PHE 67 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3bb4 n LEU 72 N -1.29 0.00 -3.64 4.37 4.77 -1.26 -5.06 117.00 114.89 3bb4 n LEU 72 Ca 0.00 0.56 -0.16 0.00 -0.03 0.00 0.00 56.01 56.38 3bb4 n LEU 72 Cb 0.00 -0.83 -0.07 0.00 -2.33 0.00 0.00 43.42 40.18 3bb4 n LEU 72 CO 0.00 -0.09 0.23 0.00 -1.33 0.00 0.00 177.39 176.20 3bb4 s ARG 73 N -0.38 0.85 0.60 3.23 1.04 -1.26 -4.92 118.95 118.11 3bb4 s ARG 73 Ca 0.00 0.06 -0.20 0.00 -1.04 0.00 0.00 55.73 54.56 3bb4 s ARG 73 Cb 0.00 0.39 -0.03 0.00 -2.04 0.00 0.00 34.95 33.27 3bb4 s ARG 73 CO 0.00 -0.25 1.29 -0.35 -0.04 0.00 0.00 175.30 175.95 3bb4 n PRO 74 N 1.17 1.36 -4.37 3.89 -0.04 -1.26 -4.75 135.00 130.99 3bb4 n PRO 74 Ca -0.20 0.51 -0.20 0.00 -0.04 0.00 0.00 63.50 63.57 3bb4 n PRO 74 Cb 0.56 -2.51 -0.13 0.00 -0.04 0.00 0.00 33.50 31.38 3bb4 n PRO 74 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3bb4 s VAL 75 N -1.35 1.11 0.10 0.52 1.01 -0.68 -5.01 120.40 116.10 3bb4 s VAL 75 Ca 0.77 -0.98 0.10 0.00 0.00 0.00 0.00 61.98 61.88 3bb4 s VAL 75 Cb -0.40 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3bb4 s VAL 75 CO 0.45 0.03 -0.27 -0.32 0.00 0.00 0.00 175.10 174.99 3bb4 s MET 76 N -1.09 1.54 -0.26 2.72 1.75 -1.26 -1.57 119.30 121.13 3bb4 s MET 76 Ca 0.02 -1.26 -0.02 0.00 -1.25 0.00 0.00 55.69 53.18 3bb4 s MET 76 Cb -0.08 -1.92 0.08 0.00 2.84 0.00 0.00 34.83 35.76 3bb4 s MET 76 CO 0.01 0.47 0.07 0.08 -0.65 0.00 0.00 175.02 175.01 3bb4 s VAL 77 N -0.97 0.58 -0.17 10.11 1.01 -0.63 -4.97 120.40 125.36 3bb4 s VAL 77 Ca 0.13 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 3bb4 s VAL 77 Cb -0.10 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 3bb4 s VAL 77 CO 0.05 -0.48 0.05 -0.44 0.00 0.00 0.00 175.10 174.27 3bb4 s SER 78 N 1.79 5.56 0.04 3.32 0.01 -1.26 -1.90 113.70 121.26 3bb4 s SER 78 Ca 0.05 0.08 0.04 0.00 1.31 0.00 0.00 55.95 57.43 3bb4 s SER 78 Cb -0.17 -1.93 -0.02 0.00 0.21 0.00 0.00 66.02 64.11 3bb4 s SER 78 CO -0.20 0.19 -0.11 -0.13 0.41 0.00 0.00 173.24 173.40 3bb4 s ARG 79 N 0.24 0.76 0.03 12.44 1.81 -0.58 -5.00 118.95 128.66 3bb4 s ARG 79 Ca 0.03 -0.70 0.08 0.00 -1.72 0.00 0.00 55.73 53.42 3bb4 s ARG 79 Cb -0.12 -0.71 -0.02 0.00 -0.45 0.00 0.00 34.95 33.64 3bb4 s ARG 79 CO 0.01 0.17 -0.22 0.99 -0.68 0.00 0.00 175.30 175.56 3bb4 s THR 80 N -0.91 1.79 -0.30 0.02 2.01 -1.26 -1.37 115.64 115.62 3bb4 s THR 80 Ca -0.01 -1.19 -0.03 0.00 0.31 0.00 0.00 61.69 60.76 3bb4 s THR 80 Cb -0.08 -1.53 0.18 0.00 0.01 0.00 0.00 72.50 71.08 3bb4 s THR 80 CO 0.01 0.29 0.63 -0.32 -0.69 0.00 0.00 174.62 174.55 3bb4 s MET 81 N -1.07 0.55 -0.97 4.92 0.00 0.10 -3.95 119.30 118.89 3bb4 s MET 81 Ca 0.09 1.06 -0.04 0.00 0.00 0.00 0.00 55.69 56.79 3bb4 s MET 81 Cb -0.09 0.60 0.00 0.00 0.00 0.00 0.00 34.83 35.35 3bb4 s MET 81 CO 0.01 -0.52 0.84 0.41 0.00 0.00 0.00 175.02 175.76 3bb4 n GLY 82 N 5.43 -0.16 2.22 2.11 0.00 -1.26 -2.84 105.19 110.69 3bb4 n GLY 82 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3bb4 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bb4 n GLY 83 N -1.44 0.75 3.34 -0.02 0.00 -1.26 -5.02 105.19 101.53 3bb4 n GLY 83 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 3bb4 n GLY 83 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bb4 s PHE 84 N -2.87 2.41 -0.22 1.61 2.19 -1.13 -4.79 117.98 115.17 3bb4 s PHE 84 Ca 0.00 -0.40 0.02 0.00 0.33 0.00 0.00 56.93 56.88 3bb4 s PHE 84 Cb 0.00 -1.53 0.04 0.00 -1.31 0.00 0.00 43.02 40.22 3bb4 s PHE 84 CO 0.00 -0.01 -0.14 0.99 1.83 0.00 0.00 175.22 177.89 3bb4 s THR 85 N -0.60 2.08 -0.27 0.12 2.01 -0.42 0.01 115.64 118.58 3bb4 s THR 85 Ca 0.09 -1.32 -0.17 0.00 0.31 0.00 0.00 61.69 60.61 3bb4 s THR 85 Cb -0.10 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.30 3bb4 s THR 85 CO -0.00 0.20 0.45 -0.51 -0.69 0.00 0.00 174.62 174.07 3bb4 s ILE 86 N 1.20 5.12 -0.15 1.82 2.07 -0.47 -1.47 121.20 129.32 3bb4 s ILE 86 Ca -0.03 0.73 -0.01 0.00 -1.41 0.00 0.00 60.65 59.94 3bb4 s ILE 86 Cb -0.17 -3.77 -0.01 0.00 0.13 0.00 0.00 42.46 38.64 3bb4 s ILE 86 CO -0.08 0.11 -0.12 0.20 -1.91 0.00 0.00 174.94 173.14 3bb4 s ASN 87 N 1.59 4.01 -0.09 4.50 -0.87 -0.42 -1.53 114.94 122.13 3bb4 s ASN 87 Ca 0.18 -0.35 0.03 0.00 -1.57 0.00 0.00 52.86 51.15 3bb4 s ASN 87 Cb -0.16 -1.62 0.01 0.00 -0.02 0.00 0.00 41.25 39.46 3bb4 s ASN 87 CO 0.10 0.13 -0.18 -0.63 -2.57 0.00 0.00 177.10 173.94 3bb4 s ILE 88 N 0.58 1.63 -0.42 0.60 1.01 -0.80 -1.74 121.20 122.07 3bb4 s ILE 88 Ca -0.07 -0.75 -0.11 0.00 0.00 0.00 0.00 60.65 59.71 3bb4 s ILE 88 Cb -0.15 -1.45 0.06 0.00 0.01 0.00 0.00 42.46 40.93 3bb4 s ILE 88 CO 0.03 0.46 0.27 -0.63 0.00 0.00 0.00 174.94 175.08 3bb4 s ILE 89 N 0.65 4.60 0.49 2.92 1.01 -0.18 -1.60 121.20 129.08 3bb4 s ILE 89 Ca -0.13 -1.13 -0.21 0.00 0.00 0.00 0.00 60.65 59.17 3bb4 s ILE 89 Cb -0.16 -3.71 -0.07 0.00 0.01 0.00 0.00 42.46 38.52 3bb4 s ILE 89 CO 0.04 -0.43 1.10 -0.62 0.00 0.00 0.00 174.94 175.03 3bb4 s ASP 90 N 2.03 6.14 0.14 3.58 -1.08 -0.61 -2.08 116.67 124.80 3bb4 s ASP 90 Ca 0.03 2.12 0.06 0.00 -0.52 0.00 0.00 52.55 54.23 3bb4 s ASP 90 Cb -0.22 -2.58 -0.04 0.00 -1.46 0.00 0.00 42.92 38.62 3bb4 s ASP 90 CO 0.05 -0.92 -0.13 0.42 0.52 0.00 0.00 175.17 175.11 3bb4 s THR 91 N -1.76 1.31 0.51 1.71 -4.23 -1.25 -1.68 115.64 110.24 3bb4 s THR 91 Ca 0.67 -1.86 -0.21 0.00 -1.18 0.00 0.00 61.69 59.12 3bb4 s THR 91 Cb -0.23 -1.66 -0.06 0.00 1.34 0.00 0.00 72.50 71.89 3bb4 s THR 91 CO 0.27 -0.53 1.14 -2.16 -0.54 0.00 0.00 174.62 172.80 3bb4 s PRO 92 N -3.06 3.52 0.83 3.99 0.04 -1.26 -4.94 135.00 134.12 3bb4 s PRO 92 Ca 0.12 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 62.71 3bb4 s PRO 92 Cb -0.02 -2.17 0.05 0.00 0.04 0.00 0.00 34.50 32.39 3bb4 s PRO 92 CO 0.03 -0.73 0.84 0.41 0.04 0.00 0.00 177.00 177.59 3bb4 n GLY 93 N 0.28 -0.88 1.65 0.56 0.00 -1.26 -4.87 105.19 100.66 3bb4 n GLY 93 Ca 0.10 -0.54 0.09 0.00 0.00 0.00 0.00 46.02 45.68 3bb4 n GLY 93 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bb4 n LEU 94 N -2.13 4.90 -3.98 0.99 4.77 -0.95 -4.78 117.00 115.82 3bb4 n LEU 94 Ca 0.11 -2.47 -0.24 0.00 -0.03 0.00 0.00 56.01 53.38 3bb4 n LEU 94 Cb 0.51 -0.60 -0.17 0.00 -2.33 0.00 0.00 43.42 40.84 3bb4 n LEU 94 CO 0.49 0.81 -0.45 -0.69 -1.33 0.00 0.00 177.39 176.22 3bb4 s VAL 95 N -1.91 0.99 -0.76 4.08 1.01 -1.26 -0.83 120.40 121.72 3bb4 s VAL 95 Ca 0.52 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.15 3bb4 s VAL 95 Cb 0.34 -0.94 0.18 0.00 0.00 0.00 0.00 36.38 35.96 3bb4 s VAL 95 CO 0.25 0.33 0.58 -0.70 0.00 0.00 0.00 175.10 175.56 3bb4 s GLU 96 N 0.89 2.73 0.56 2.72 2.56 -0.04 -4.70 118.70 123.42 3bb4 s GLU 96 Ca -0.11 -3.25 -0.21 0.00 0.00 0.00 0.00 54.97 51.40 3bb4 s GLU 96 Cb -0.15 -3.62 -0.04 0.00 2.00 0.00 0.00 34.13 32.31 3bb4 s GLU 96 CO 0.01 -1.26 1.29 0.00 -0.56 0.00 0.00 175.26 174.74 3bb4 s ALA 97 N -1.30 2.71 -0.35 6.30 0.00 -1.26 -3.26 121.76 124.60 3bb4 s ALA 97 Ca 0.25 1.20 0.07 0.00 0.00 0.00 0.00 51.96 53.47 3bb4 s ALA 97 Cb -0.07 -3.52 0.57 0.00 0.00 0.00 0.00 23.12 20.10 3bb4 s ALA 97 CO -0.14 -1.27 1.64 0.41 0.00 0.00 0.00 175.76 176.40 3bb4 n GLY 98 N 0.67 4.76 3.37 0.00 0.00 -1.26 -5.10 105.19 107.63 3bb4 n GLY 98 Ca 0.11 -1.18 -0.19 0.00 0.00 0.00 0.00 46.02 44.77 3bb4 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bb4 s TYR 99 N -3.27 1.72 0.15 1.61 1.51 -1.20 -4.84 117.35 113.03 3bb4 s TYR 99 Ca 0.49 -0.86 -0.31 0.00 -1.01 0.00 0.00 57.07 55.38 3bb4 s TYR 99 Cb 0.44 -1.01 -0.10 0.00 -0.11 0.00 0.00 41.96 41.17 3bb4 s TYR 99 CO 0.04 0.06 1.69 0.08 -1.11 0.00 0.00 175.55 176.31 3bb4 s VAL 100 N -3.29 2.48 -1.01 0.71 1.01 -1.26 -0.86 120.40 118.17 3bb4 s VAL 100 Ca 0.30 0.22 -0.21 0.00 0.00 0.00 0.00 61.98 62.29 3bb4 s VAL 100 Cb 0.05 -3.14 0.08 0.00 0.00 0.00 0.00 36.38 33.37 3bb4 s VAL 100 CO 0.10 0.01 1.37 0.21 0.00 0.00 0.00 175.10 176.80 3bb4 s ASN 101 N 1.72 6.57 0.57 3.32 2.47 -0.01 -4.69 114.94 124.88 3bb4 s ASN 101 Ca 0.75 -1.71 0.38 0.00 0.42 0.00 0.00 52.86 52.69 3bb4 s ASN 101 Cb -0.46 -2.52 1.89 0.00 -1.45 0.00 0.00 41.25 38.72 3bb4 s ASN 101 CO 0.33 -1.34 2.14 0.45 -3.72 0.00 0.00 177.10 174.96 3bb4 h HIS 102 N 9.34 0.00 0.21 0.43 3.86 -1.92 -2.44 115.15 124.63 3bb4 h HIS 102 Ca 0.20 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 3bb4 h HIS 102 Cb 1.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.48 3bb4 h HIS 102 CO 1.25 0.00 -0.10 1.96 0.86 0.00 0.00 177.93 181.90 3bb4 h GLN 103 N 0.00 -0.27 -0.99 2.45 4.20 -1.98 -2.97 115.11 115.55 3bb4 h GLN 103 Ca 0.00 0.02 0.17 0.00 0.06 0.00 0.00 58.65 58.90 3bb4 h GLN 103 Cb 0.18 0.06 -0.09 0.00 0.30 0.00 0.00 27.48 27.93 3bb4 h GLN 103 CO 0.00 0.08 0.62 0.00 -0.67 0.00 0.00 178.83 178.86 3bb4 h ALA 104 N -0.55 1.69 0.00 3.87 0.00 -1.83 0.12 119.26 122.56 3bb4 h ALA 104 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3bb4 h ALA 104 Cb 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3bb4 h ALA 104 CO 0.05 -0.01 0.00 -0.11 0.00 0.00 0.00 179.25 179.18 3bb4 n LEU 105 N -4.69 0.00 0.00 0.00 7.94 -0.94 -1.28 117.00 118.04 3bb4 n LEU 105 Ca 0.21 0.47 0.00 0.00 -1.11 0.00 0.00 56.01 55.59 3bb4 n LEU 105 Cb 0.52 -0.47 0.00 0.00 0.53 0.00 0.00 43.42 43.99 3bb4 n LEU 105 CO 0.24 -0.15 -0.09 -1.84 -1.11 0.00 0.00 177.39 174.45 3bb4 n GLU 106 N -1.47 5.15 -0.22 1.96 0.28 -0.41 -3.67 120.64 122.26 3bb4 n GLU 106 Ca 0.05 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 57.04 3bb4 n GLU 106 Cb 0.23 -0.54 0.10 0.00 1.43 0.00 0.00 31.44 32.65 3bb4 n GLU 106 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 3bb4 h LEU 107 N 0.00 0.45 0.49 -1.84 5.85 -0.80 -1.11 115.31 118.35 3bb4 h LEU 107 Ca 0.00 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3bb4 h LEU 107 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3bb4 h LEU 107 CO 0.00 0.29 -0.23 0.40 -0.34 0.00 0.00 178.44 178.55 3bb4 h ILE 108 N 0.59 0.52 -0.93 4.05 2.04 -1.34 -2.27 117.51 120.17 3bb4 h ILE 108 Ca 0.30 -0.06 0.14 0.00 1.00 0.00 0.00 64.86 66.23 3bb4 h ILE 108 Cb 0.24 0.55 -0.09 0.00 -0.74 0.00 0.00 36.82 36.78 3bb4 h ILE 108 CO -0.21 0.01 0.54 0.50 0.00 0.00 0.00 178.15 178.99 3bb4 h LYS 109 N -0.69 0.77 -0.37 2.37 3.64 -1.63 -1.98 116.57 118.68 3bb4 h LYS 109 Ca -0.07 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.34 3bb4 h LYS 109 Cb 0.52 -0.17 -0.09 0.00 -0.41 0.00 0.00 32.23 32.08 3bb4 h LYS 109 CO 0.11 0.51 -0.29 0.78 -2.27 0.00 0.00 179.45 178.29 3bb4 h GLY 110 N 0.79 -0.17 2.00 5.01 0.00 -0.88 -1.07 103.07 108.75 3bb4 h GLY 110 Ca 0.49 0.37 0.00 0.00 0.00 0.00 0.00 47.33 48.19 3bb4 h GLY 110 CO -0.32 -0.21 0.00 -2.75 0.00 0.00 0.00 176.54 173.26 3bb4 h PHE 111 N -0.23 0.00 0.00 5.60 3.57 -0.80 -3.15 116.94 121.93 3bb4 h PHE 111 Ca 0.17 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3bb4 h PHE 111 Cb 0.51 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.25 3bb4 h PHE 111 CO -0.50 0.00 -1.55 1.28 -2.23 0.00 0.00 178.31 175.32 3bb4 n LEU 112 N -2.37 0.26 -4.63 0.59 4.77 -0.50 -4.86 117.00 110.25 3bb4 n LEU 112 Ca -0.00 -0.15 -0.48 0.00 -0.03 0.00 0.00 56.01 55.35 3bb4 n LEU 112 Cb 0.11 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 3bb4 n LEU 112 CO 0.15 0.06 0.99 0.55 -1.33 0.00 0.00 177.39 177.81 3bb4 n VAL 113 N -1.93 0.35 -0.49 4.08 3.14 -0.61 -0.91 118.33 121.96 3bb4 n VAL 113 Ca -0.01 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 3bb4 n VAL 113 Cb 0.42 -1.20 0.00 0.00 -1.06 0.00 0.00 33.84 32.00 3bb4 n VAL 113 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3bb4 n ASN 114 N 2.65 0.00 -4.91 6.55 3.02 -1.01 -5.02 115.26 116.54 3bb4 n ASN 114 Ca 0.16 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.43 3bb4 n ASN 114 Cb 0.26 -0.17 -0.02 0.00 -0.61 0.00 0.00 39.78 39.23 3bb4 n ASN 114 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3bb4 s ARG 115 N -0.04 3.60 -0.23 3.52 0.52 -0.09 -5.03 118.95 121.20 3bb4 s ARG 115 Ca 0.00 -0.01 -0.06 0.00 -0.52 0.00 0.00 55.73 55.14 3bb4 s ARG 115 Cb 0.00 -2.60 -0.03 0.00 0.52 0.00 0.00 34.95 32.85 3bb4 s ARG 115 CO 0.00 0.13 0.04 0.99 0.02 0.00 0.00 175.30 176.47 3bb4 s THR 116 N -2.24 4.14 -0.29 0.02 2.01 -1.26 -4.35 115.64 113.67 3bb4 s THR 116 Ca 0.44 -0.24 -0.12 0.00 0.31 0.00 0.00 61.69 62.08 3bb4 s THR 116 Cb -0.10 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 3bb4 s THR 116 CO 0.33 0.38 0.25 -0.63 -0.69 0.00 0.00 174.62 174.27 3bb4 s ILE 117 N 1.32 5.27 -0.08 1.82 1.01 0.57 -4.49 121.20 126.61 3bb4 s ILE 117 Ca 0.05 0.23 -0.05 0.00 0.00 0.00 0.00 60.65 60.88 3bb4 s ILE 117 Cb -0.15 -3.60 -0.27 0.00 0.01 0.00 0.00 42.46 38.45 3bb4 s ILE 117 CO 0.02 0.19 0.53 0.44 0.00 0.00 0.00 174.94 176.12 3bb4 h ASP 118 N 8.34 0.42 -4.51 3.58 3.32 -1.11 -1.03 116.42 125.43 3bb4 h ASP 118 Ca -0.34 -0.80 -0.38 0.00 0.02 0.00 0.00 57.03 55.54 3bb4 h ASP 118 Cb 1.18 -0.14 -0.22 0.00 0.22 0.00 0.00 39.33 40.37 3bb4 h ASP 118 CO 0.59 1.70 -0.77 -0.69 -1.72 0.00 0.00 179.24 178.35 3bb4 s VAL 119 N -2.57 0.95 -0.15 -1.35 1.01 -1.06 -4.30 120.40 112.92 3bb4 s VAL 119 Ca -0.17 -1.17 0.01 0.00 0.00 0.00 0.00 61.98 60.65 3bb4 s VAL 119 Cb 0.06 -0.93 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 3bb4 s VAL 119 CO 0.81 -0.22 -0.17 -0.22 0.00 0.00 0.00 175.10 175.30 3bb4 s LEU 120 N -1.55 2.40 -0.50 3.92 2.96 -0.63 -0.60 118.68 124.67 3bb4 s LEU 120 Ca -0.03 -0.49 -0.18 0.00 -0.22 0.00 0.00 54.13 53.21 3bb4 s LEU 120 Cb -0.09 -1.53 0.07 0.00 0.50 0.00 0.00 46.19 45.13 3bb4 s LEU 120 CO 0.02 0.09 0.55 -0.76 -1.32 0.00 0.00 176.35 174.93 3bb4 s LEU 121 N 0.75 5.22 -0.51 -0.68 1.43 0.36 -1.24 118.68 124.02 3bb4 s LEU 121 Ca -0.07 -1.08 -0.27 0.00 -1.03 0.00 0.00 54.13 51.68 3bb4 s LEU 121 Cb -0.16 -2.35 0.03 0.00 0.03 0.00 0.00 46.19 43.75 3bb4 s LEU 121 CO 0.01 -0.82 1.06 -0.47 0.23 0.00 0.00 176.35 176.36 3bb4 s TYR 122 N 2.29 2.79 -0.21 0.29 5.04 -0.15 -1.76 117.35 125.64 3bb4 s TYR 122 Ca 0.11 0.42 -0.10 0.00 -2.44 0.00 0.00 57.07 55.06 3bb4 s TYR 122 Cb -0.21 -4.27 -0.05 0.00 0.35 0.00 0.00 41.96 37.78 3bb4 s TYR 122 CO 0.10 -1.32 0.13 0.08 -1.34 0.00 0.00 175.55 173.21 3bb4 s VAL 123 N 4.30 5.39 0.26 3.14 1.01 -0.28 -1.08 120.40 133.14 3bb4 s VAL 123 Ca 0.41 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.57 3bb4 s VAL 123 Cb -0.09 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 3bb4 s VAL 123 CO 0.27 0.42 0.25 -0.62 0.00 0.00 0.00 175.10 175.42 3bb4 s ASP 124 N 0.48 0.71 0.25 3.32 -1.08 -0.34 -4.21 116.67 115.79 3bb4 s ASP 124 Ca 0.08 -1.48 -0.16 0.00 -0.52 0.00 0.00 52.55 50.47 3bb4 s ASP 124 Cb -0.11 0.49 -0.08 0.00 -1.46 0.00 0.00 42.92 41.75 3bb4 s ASP 124 CO -0.01 -0.99 0.68 -0.13 0.52 0.00 0.00 175.17 175.23 3bb4 s ARG 125 N -3.78 4.06 0.08 4.34 0.52 -1.26 -1.08 118.95 121.83 3bb4 s ARG 125 Ca 0.37 0.66 -0.08 0.00 -0.52 0.00 0.00 55.73 56.16 3bb4 s ARG 125 Cb 0.04 -2.70 -0.26 0.00 0.52 0.00 0.00 34.95 32.55 3bb4 s ARG 125 CO 0.18 0.31 1.15 1.25 0.02 0.00 0.00 175.30 178.21 3bb4 h LEU 126 N 2.92 0.59 -3.59 2.53 5.85 -0.70 -3.40 115.31 119.50 3bb4 h LEU 126 Ca -0.48 -0.58 -0.18 0.00 0.84 0.00 0.00 57.88 57.48 3bb4 h LEU 126 Cb 1.18 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.96 3bb4 h LEU 126 CO 0.66 1.43 0.01 -0.90 -0.34 0.00 0.00 178.44 179.30 3bb4 n ASP 127 N -3.65 5.68 -4.10 1.25 5.75 -1.26 -4.82 116.55 115.40 3bb4 n ASP 127 Ca -0.10 -2.66 -0.22 0.00 -0.01 0.00 0.00 54.79 51.79 3bb4 n ASP 127 Cb 0.99 -1.22 -0.15 0.00 -1.03 0.00 0.00 41.12 39.71 3bb4 n ASP 127 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3bb4 s VAL 128 N -0.43 1.10 -2.28 2.12 1.01 -1.26 -5.06 120.40 115.60 3bb4 s VAL 128 Ca 0.34 -0.59 0.20 0.00 0.00 0.00 0.00 61.98 61.93 3bb4 s VAL 128 Cb 0.19 -0.92 0.43 0.00 0.00 0.00 0.00 36.38 36.09 3bb4 s VAL 128 CO -0.03 0.31 1.46 -1.22 0.00 0.00 0.00 175.10 175.63 3bb4 n TYR 129 N 2.77 0.36 -3.58 5.22 4.02 -1.26 -4.96 117.16 119.73 3bb4 n TYR 129 Ca -0.14 -0.18 -0.09 0.00 -0.01 0.00 0.00 57.90 57.48 3bb4 n TYR 129 Cb 0.55 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.82 3bb4 n TYR 129 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 3bb4 s ARG 130 N -1.64 0.52 0.11 -0.72 1.70 -1.26 -5.11 118.95 112.55 3bb4 s ARG 130 Ca 0.34 0.08 0.02 0.00 -0.47 0.00 0.00 55.73 55.69 3bb4 s ARG 130 Cb 0.19 0.24 -0.04 0.00 -0.57 0.00 0.00 34.95 34.77 3bb4 s ARG 130 CO 0.27 -0.17 0.21 0.14 -1.08 0.00 0.00 175.30 174.66 3bb4 s VAL 131 N -1.31 5.15 0.38 4.99 -7.23 -1.26 -5.13 120.40 115.99 3bb4 s VAL 131 Ca 0.01 -0.62 0.06 0.00 -1.81 0.00 0.00 61.98 59.62 3bb4 s VAL 131 Cb -0.01 -3.57 -0.02 0.00 0.56 0.00 0.00 36.38 33.34 3bb4 s VAL 131 CO -0.01 0.03 0.22 -0.90 -0.31 0.00 0.00 175.10 174.13 3bb4 n ASP 132 N -0.05 0.30 -0.07 4.85 5.68 -1.26 -5.05 116.55 120.95 3bb4 n ASP 132 Ca -0.07 -3.26 -0.00 0.00 -0.50 0.00 0.00 54.79 50.97 3bb4 n ASP 132 Cb 0.53 1.38 0.28 0.00 -1.14 0.00 0.00 41.12 42.17 3bb4 n ASP 132 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3bb4 h GLU 133 N 0.00 0.68 -0.64 0.11 4.57 -2.00 -2.78 114.58 114.52 3bb4 h GLU 133 Ca -0.29 -0.11 0.11 0.00 -1.18 0.00 0.00 59.36 57.89 3bb4 h GLU 133 Cb 1.25 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.68 3bb4 h GLU 133 CO 0.44 0.58 0.43 1.25 -1.18 0.00 0.00 179.01 180.53 3bb4 h LEU 134 N 0.67 0.38 -0.73 1.64 5.85 -1.97 0.03 115.31 121.18 3bb4 h LEU 134 Ca 0.16 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.76 3bb4 h LEU 134 Cb 0.18 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3bb4 h LEU 134 CO -0.01 0.23 -0.41 0.44 -0.34 0.00 0.00 178.44 178.35 3bb4 h ASP 135 N 0.42 0.52 -0.01 1.25 3.32 -1.90 -0.37 116.42 119.64 3bb4 h ASP 135 Ca 0.30 -0.23 -0.17 0.00 0.02 0.00 0.00 57.03 56.95 3bb4 h ASP 135 Cb 0.60 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.01 3bb4 h ASP 135 CO -0.09 0.87 -0.67 0.50 -1.72 0.00 0.00 179.24 178.14 3bb4 h LYS 136 N 0.41 0.48 -0.89 3.56 3.64 -1.39 -2.63 116.57 119.74 3bb4 h LYS 136 Ca 0.04 -0.49 0.15 0.00 -1.27 0.00 0.00 60.65 59.07 3bb4 h LYS 136 Cb 0.89 0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 32.75 3bb4 h LYS 136 CO 0.08 1.14 0.49 1.96 -2.27 0.00 0.00 179.45 180.84 3bb4 h GLN 137 N 0.01 0.67 -0.45 1.90 1.08 -0.95 -1.03 115.11 116.34 3bb4 h GLN 137 Ca -0.08 -0.04 -0.10 0.00 -1.45 0.00 0.00 58.65 56.98 3bb4 h GLN 137 Cb 1.36 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 3bb4 h GLN 137 CO 0.13 0.44 -0.13 0.28 -0.95 0.00 0.00 178.83 178.60 3bb4 h VAL 138 N 0.69 1.27 -0.05 -0.54 2.07 -1.04 -0.78 116.25 117.86 3bb4 h VAL 138 Ca 0.49 -1.25 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 3bb4 h VAL 138 Cb 0.68 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3bb4 h VAL 138 CO -0.36 0.43 -0.39 0.58 0.02 0.00 0.00 177.57 177.85 3bb4 h VAL 139 N 0.72 1.29 -0.22 2.57 2.07 -1.05 -2.02 116.25 119.61 3bb4 h VAL 139 Ca 0.11 -1.40 -0.20 0.00 0.82 0.00 0.00 66.70 66.03 3bb4 h VAL 139 Cb 0.68 1.69 0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3bb4 h VAL 139 CO 0.05 0.41 -0.63 0.40 0.02 0.00 0.00 177.57 177.81 3bb4 h ILE 140 N 0.09 1.28 -0.01 4.57 2.04 -1.16 -2.79 117.51 121.54 3bb4 h ILE 140 Ca 0.01 -1.83 -0.04 0.00 1.00 0.00 0.00 64.86 64.00 3bb4 h ILE 140 Cb 0.73 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 3bb4 h ILE 140 CO 0.05 0.59 -0.19 0.00 0.00 0.00 0.00 178.15 178.60 3bb4 h ALA 141 N 0.61 1.67 -0.02 1.87 0.00 -0.87 0.04 119.26 122.55 3bb4 h ALA 141 Ca -0.02 -0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.47 3bb4 h ALA 141 Cb 1.25 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.02 3bb4 h ALA 141 CO 0.14 0.25 -0.95 0.82 0.00 0.00 0.00 179.25 179.51 3bb4 h ILE 142 N 0.01 1.34 -0.16 0.00 2.04 -1.40 -2.75 117.51 116.59 3bb4 h ILE 142 Ca 0.00 -2.30 -0.04 0.00 1.00 0.00 0.00 64.86 63.53 3bb4 h ILE 142 Cb 0.35 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.76 3bb4 h ILE 142 CO 0.03 0.70 -0.04 0.74 0.00 0.00 0.00 178.15 179.58 3bb4 h THR 143 N 0.33 1.29 -0.53 -0.27 2.02 -1.23 -1.47 112.91 113.04 3bb4 h THR 143 Ca -0.09 -0.99 0.06 0.00 0.77 0.00 0.00 66.41 66.16 3bb4 h THR 143 Cb 1.59 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 69.58 3bb4 h THR 143 CO 0.18 0.29 0.35 1.56 0.37 0.00 0.00 175.52 178.27 3bb4 h GLN 144 N 0.01 0.45 0.00 6.66 4.20 -1.05 -1.24 115.11 124.14 3bb4 h GLN 144 Ca 0.04 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3bb4 h GLN 144 Cb 0.47 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 3bb4 h GLN 144 CO 0.02 0.30 -0.07 1.15 -0.67 0.00 0.00 178.83 179.55 3bb4 h THR 145 N 0.47 1.57 0.00 -0.54 2.02 -1.43 -3.42 112.91 111.58 3bb4 h THR 145 Ca 0.23 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 65.20 3bb4 h THR 145 Cb 0.31 3.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.72 3bb4 h THR 145 CO -0.06 0.53 -1.50 0.49 0.37 0.00 0.00 175.52 175.35 3bb4 n PHE 146 N -4.62 0.00 0.00 3.16 3.72 -0.56 -5.09 117.46 114.07 3bb4 n PHE 146 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3bb4 n PHE 146 Cb 0.45 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 3bb4 n PHE 146 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bb4 n GLY 147 N 1.49 2.03 0.33 1.37 0.00 -0.47 -4.68 105.19 105.26 3bb4 n GLY 147 Ca -0.01 -1.65 0.26 0.00 0.00 0.00 0.00 46.02 44.62 3bb4 n GLY 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3bb4 n LYS 148 N 1.92 -0.01 0.29 1.61 4.81 -1.26 -2.09 118.16 123.43 3bb4 n LYS 148 Ca 0.00 0.61 0.18 0.00 -0.87 0.00 0.00 58.31 58.23 3bb4 n LYS 148 Cb 0.00 -1.33 0.82 0.00 0.02 0.00 0.00 35.03 34.54 3bb4 n LYS 148 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3bb4 h GLU 149 N 0.00 0.00 0.00 1.64 3.07 -1.95 -3.05 114.58 114.29 3bb4 h GLU 149 Ca 0.49 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.31 3bb4 h GLU 149 Cb 1.84 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.74 3bb4 h GLU 149 CO -0.10 0.03 -0.20 0.97 -1.40 0.00 0.00 179.01 178.32 3bb4 h ILE 150 N 0.00 0.52 0.00 3.13 2.10 -1.70 -2.89 117.51 118.68 3bb4 h ILE 150 Ca -0.00 -1.00 0.00 0.00 1.08 0.00 0.00 64.86 64.94 3bb4 h ILE 150 Cb 0.37 1.69 0.00 0.00 -1.09 0.00 0.00 36.82 37.79 3bb4 h ILE 150 CO 0.00 0.19 -0.11 0.79 -1.08 0.00 0.00 178.15 177.95 3bb4 n TRP 151 N -3.41 0.76 1.71 2.19 7.02 -1.15 -1.96 117.44 122.60 3bb4 n TRP 151 Ca -0.00 0.22 0.15 0.00 -1.02 0.00 0.00 57.50 56.85 3bb4 n TRP 151 Cb 0.39 -0.84 0.83 0.00 -2.42 0.00 0.00 31.31 29.27 3bb4 n TRP 151 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3bb4 n LYS 153 N -1.03 0.82 -4.30 0.00 4.76 -0.83 -4.88 118.16 112.70 3bb4 n LYS 153 Ca 0.19 -1.73 -0.31 0.00 -2.87 0.00 0.00 58.31 53.59 3bb4 n LYS 153 Cb 0.19 -1.00 -0.09 0.00 -1.84 0.00 0.00 35.03 32.28 3bb4 n LYS 153 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3bb4 s THR 154 N -1.40 3.71 -0.03 -0.18 2.01 -1.15 -1.61 115.64 116.99 3bb4 s THR 154 Ca 0.15 -0.95 0.07 0.00 0.31 0.00 0.00 61.69 61.27 3bb4 s THR 154 Cb 0.13 -2.69 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 3bb4 s THR 154 CO 0.01 0.25 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.20 3bb4 s LEU 155 N -1.87 2.04 -0.39 4.42 1.43 -0.37 -4.31 118.68 119.63 3bb4 s LEU 155 Ca 0.21 -0.44 -0.21 0.00 -1.03 0.00 0.00 54.13 52.65 3bb4 s LEU 155 Cb -0.11 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 44.89 3bb4 s LEU 155 CO 0.12 0.27 0.68 -0.22 0.23 0.00 0.00 176.35 177.43 3bb4 s LEU 156 N -0.41 4.28 -0.24 1.79 2.96 -0.54 -0.98 118.68 125.55 3bb4 s LEU 156 Ca 0.05 0.05 -0.12 0.00 -0.22 0.00 0.00 54.13 53.88 3bb4 s LEU 156 Cb -0.10 -2.84 -0.05 0.00 0.50 0.00 0.00 46.19 43.70 3bb4 s LEU 156 CO 0.00 -0.70 0.23 -0.69 -1.32 0.00 0.00 176.35 173.87 3bb4 s VAL 157 N 2.88 5.30 -0.32 1.68 1.01 -0.24 -1.40 120.40 129.32 3bb4 s VAL 157 Ca 0.26 0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.53 3bb4 s VAL 157 Cb -0.14 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.71 3bb4 s VAL 157 CO 0.17 0.30 0.05 -0.76 0.00 0.00 0.00 175.10 174.86 3bb4 s LEU 158 N 1.26 4.06 0.73 3.92 1.43 -0.57 -1.20 118.68 128.30 3bb4 s LEU 158 Ca 0.11 -1.15 -0.08 0.00 -1.03 0.00 0.00 54.13 51.98 3bb4 s LEU 158 Cb -0.14 -1.80 0.07 0.00 0.03 0.00 0.00 46.19 44.35 3bb4 s LEU 158 CO 0.06 -0.28 1.05 0.42 0.23 0.00 0.00 176.35 177.83 3bb4 s THR 159 N 1.34 2.22 -1.23 5.49 -4.23 -0.24 -0.04 115.64 118.95 3bb4 s THR 159 Ca -0.03 -0.23 -0.00 0.00 -1.18 0.00 0.00 61.69 60.25 3bb4 s THR 159 Cb -0.19 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.66 3bb4 s THR 159 CO 0.01 0.00 0.04 1.41 -0.54 0.00 0.00 174.62 175.54 3bb4 n HIS 160 N -3.00 -0.75 0.31 3.99 8.25 -0.70 -0.01 115.22 123.30 3bb4 n HIS 160 Ca 0.08 0.03 0.19 0.00 -0.26 0.00 0.00 57.72 57.77 3bb4 n HIS 160 Cb 0.61 -3.11 1.02 0.00 1.12 0.00 0.00 29.99 29.62 3bb4 n HIS 160 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bb4 h ALA 161 N 0.69 1.29 -0.00 -1.41 0.00 -1.57 -2.24 119.26 116.03 3bb4 h ALA 161 Ca -0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3bb4 h ALA 161 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3bb4 h ALA 161 CO 0.41 -0.15 -0.03 0.94 0.00 0.00 0.00 179.25 180.42 3bb4 n GLN 162 N -3.23 0.37 -1.66 0.00 7.27 -1.26 -4.75 117.38 114.12 3bb4 n GLN 162 Ca -0.02 -0.03 -0.44 0.00 0.07 0.00 0.00 57.00 56.58 3bb4 n GLN 162 Cb 0.21 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 31.34 3bb4 n GLN 162 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3bb4 n PHE 163 N -1.29 1.94 -3.68 3.69 -0.00 -0.84 -5.00 117.46 112.28 3bb4 n PHE 163 Ca 0.13 0.56 -0.39 0.00 -0.00 0.00 0.00 57.45 57.75 3bb4 n PHE 163 Cb 0.27 -2.38 -0.11 0.00 -0.00 0.00 0.00 39.48 37.25 3bb4 n PHE 163 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3bb4 s SER 164 N -0.17 5.49 0.48 -2.13 0.15 -1.26 -4.98 113.70 111.28 3bb4 s SER 164 Ca 0.61 -1.27 -0.24 0.00 0.70 0.00 0.00 55.95 55.76 3bb4 s SER 164 Cb -0.64 -1.93 -0.07 0.00 -1.71 0.00 0.00 66.02 61.67 3bb4 s SER 164 CO 0.57 -0.41 1.35 -2.16 1.20 0.00 0.00 173.24 173.79 3bb4 s PRO 165 N 1.42 3.51 0.38 5.44 0.04 -1.26 -4.98 135.00 139.56 3bb4 s PRO 165 Ca 0.01 2.22 -0.20 0.00 0.04 0.00 0.00 61.00 63.06 3bb4 s PRO 165 Cb -0.21 -2.47 -0.10 0.00 0.04 0.00 0.00 34.50 31.76 3bb4 s PRO 165 CO 0.03 -0.89 0.90 -1.25 0.04 0.00 0.00 177.00 175.83 3bb4 s PRO 166 N -2.64 4.23 0.00 0.56 0.05 -1.26 -4.81 135.00 131.13 3bb4 s PRO 166 Ca 0.65 1.05 0.00 0.00 0.05 0.00 0.00 61.00 62.75 3bb4 s PRO 166 Cb -0.40 -2.35 0.00 0.00 0.05 0.00 0.00 34.50 31.81 3bb4 s PRO 166 CO 0.49 0.07 0.00 -0.25 0.05 0.00 0.00 177.00 177.36 3bb4 n ASP 167 N -0.36 0.00 -3.32 6.66 8.00 -1.26 -4.13 116.55 122.13 3bb4 n ASP 167 Ca 0.05 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.30 3bb4 n ASP 167 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.55 3bb4 n ASP 167 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3bb4 n GLU 168 N -0.82 0.71 -2.10 -1.24 0.28 -1.26 -5.14 120.64 111.07 3bb4 n GLU 168 Ca 0.00 -3.38 -0.35 0.00 -0.16 0.00 0.00 57.16 53.27 3bb4 n GLU 168 Cb 0.00 -1.52 0.02 0.00 1.43 0.00 0.00 31.44 31.37 3bb4 n GLU 168 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 3bb4 s LEU 169 N -0.84 3.66 0.62 -1.84 2.34 -1.26 -5.01 118.68 116.35 3bb4 s LEU 169 Ca 0.34 2.19 -0.06 0.00 0.06 0.00 0.00 54.13 56.66 3bb4 s LEU 169 Cb 0.11 -4.58 0.03 0.00 -0.56 0.00 0.00 46.19 41.19 3bb4 s LEU 169 CO -0.14 -1.39 0.92 -0.94 -1.06 0.00 0.00 176.35 173.74 3bb4 s SER 170 N -1.90 5.35 0.37 1.48 1.04 -1.26 -4.69 113.70 114.09 3bb4 s SER 170 Ca 0.73 0.59 0.08 0.00 0.48 0.00 0.00 55.95 57.83 3bb4 s SER 170 Cb -0.25 -1.48 0.81 0.00 0.10 0.00 0.00 66.02 65.20 3bb4 s SER 170 CO 0.31 -1.22 1.91 0.22 0.98 0.00 0.00 173.24 175.45 3bb4 h TYR 171 N -0.27 0.76 0.05 5.02 3.20 -1.94 -1.82 116.97 121.96 3bb4 h TYR 171 Ca -0.45 0.02 -0.28 0.00 3.14 0.00 0.00 58.73 61.16 3bb4 h TYR 171 Cb 1.28 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.27 3bb4 h TYR 171 CO 0.42 0.34 -1.49 1.49 -1.64 0.00 0.00 178.16 177.28 3bb4 h GLU 172 N 0.69 0.11 -0.33 1.82 4.57 -1.98 -1.17 114.58 118.30 3bb4 h GLU 172 Ca 0.38 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.36 3bb4 h GLU 172 Cb 0.53 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 3bb4 h GLU 172 CO -0.15 0.88 0.14 1.15 -1.18 0.00 0.00 179.01 179.85 3bb4 h THR 173 N 0.03 1.18 -0.25 0.32 2.02 -1.89 -2.58 112.91 111.73 3bb4 h THR 173 Ca -0.21 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.41 3bb4 h THR 173 Cb 1.96 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 69.28 3bb4 h THR 173 CO 0.12 0.19 0.04 0.15 0.37 0.00 0.00 175.52 176.39 3bb4 h PHE 174 N 0.38 0.44 0.00 3.16 3.04 -1.20 -1.82 116.94 120.93 3bb4 h PHE 174 Ca 0.11 -0.06 -0.11 0.00 3.98 0.00 0.00 57.97 61.89 3bb4 h PHE 174 Cb 0.17 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.54 3bb4 h PHE 174 CO -0.01 0.52 -0.58 0.66 -2.02 0.00 0.00 178.31 176.88 3bb4 h SER 175 N 0.22 0.00 0.38 0.41 4.64 -1.30 -0.11 113.55 117.78 3bb4 h SER 175 Ca 0.08 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.21 3bb4 h SER 175 Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 3bb4 h SER 175 CO 0.00 0.51 -0.79 0.77 -0.87 0.00 0.00 176.83 176.46 3bb4 h SER 176 N 0.00 0.40 0.03 4.97 4.64 -1.36 -2.60 113.55 119.62 3bb4 h SER 176 Ca -0.02 -0.28 -0.19 0.00 -0.47 0.00 0.00 61.79 60.83 3bb4 h SER 176 Cb 1.41 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3bb4 h SER 176 CO 0.06 1.04 -0.69 0.50 -0.87 0.00 0.00 176.83 176.88 3bb4 h LYS 177 N 0.21 0.60 -0.09 4.77 3.64 -1.09 -1.88 116.57 122.73 3bb4 h LYS 177 Ca -0.04 -0.45 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 3bb4 h LYS 177 Cb 1.38 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.28 3bb4 h LYS 177 CO 0.13 1.08 0.02 -0.09 -2.27 0.00 0.00 179.45 178.32 3bb4 h ARG 178 N 0.43 0.14 0.00 1.90 9.65 -1.07 -0.58 114.38 124.84 3bb4 h ARG 178 Ca -0.03 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.78 3bb4 h ARG 178 Cb 1.28 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.83 3bb4 h ARG 178 CO 0.13 0.31 -0.18 0.66 2.80 0.00 0.00 179.97 183.69 3bb4 h SER 179 N -0.06 0.00 -0.43 -3.80 4.64 -1.54 -2.07 113.55 110.29 3bb4 h SER 179 Ca 0.03 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.21 3bb4 h SER 179 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3bb4 h SER 179 CO -0.00 0.18 -0.27 -0.78 -0.87 0.00 0.00 176.83 175.10 3bb4 h ASP 180 N 0.00 0.97 -0.03 4.97 3.58 -1.15 -1.85 116.42 122.92 3bb4 h ASP 180 Ca -0.00 -0.42 -0.12 0.00 0.42 0.00 0.00 57.03 56.90 3bb4 h ASP 180 Cb 1.09 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.86 3bb4 h ASP 180 CO 0.02 1.19 -0.37 -0.33 -2.88 0.00 0.00 179.24 176.87 3bb4 h GLU 181 N 0.77 0.53 -0.05 0.28 5.08 -0.83 -2.02 114.58 118.34 3bb4 h GLU 181 Ca 0.09 -0.25 -0.13 0.00 -1.00 0.00 0.00 59.36 58.07 3bb4 h GLU 181 Cb 0.85 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.10 3bb4 h GLU 181 CO 0.07 0.82 -0.47 -0.07 -1.00 0.00 0.00 179.01 178.36 3bb4 h LEU 182 N 0.44 0.50 -1.34 1.33 3.38 -1.36 -2.19 115.31 116.07 3bb4 h LEU 182 Ca 0.05 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.32 3bb4 h LEU 182 Cb 0.84 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3bb4 h LEU 182 CO 0.07 1.12 0.43 -0.07 0.09 0.00 0.00 178.44 180.08 3bb4 h LEU 183 N -0.09 0.76 -1.10 1.67 3.38 -1.32 -0.56 115.31 118.04 3bb4 h LEU 183 Ca -0.05 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 3bb4 h LEU 183 Cb 1.15 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3bb4 h LEU 183 CO 0.10 0.56 -0.33 0.11 0.09 0.00 0.00 178.44 178.96 3bb4 h LYS 184 N 0.90 0.21 -0.23 1.13 1.57 -1.33 -1.45 116.57 117.36 3bb4 h LYS 184 Ca 0.24 -0.08 -0.15 0.00 -1.87 0.00 0.00 60.65 58.79 3bb4 h LYS 184 Cb -0.09 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3bb4 h LYS 184 CO -0.05 0.52 -0.45 1.15 -0.57 0.00 0.00 179.45 180.05 3bb4 h THR 185 N 0.18 1.31 -0.61 -0.16 2.02 -0.68 -2.10 112.91 112.87 3bb4 h THR 185 Ca 0.02 -1.66 0.04 0.00 0.77 0.00 0.00 66.41 65.58 3bb4 h THR 185 Cb 0.68 1.79 -0.05 0.00 -1.74 0.00 0.00 68.15 68.83 3bb4 h THR 185 CO 0.05 0.52 0.36 0.40 0.37 0.00 0.00 175.52 177.22 3bb4 h ILE 186 N 0.42 1.02 -0.55 3.11 2.04 -1.08 0.03 117.51 122.51 3bb4 h ILE 186 Ca 0.01 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 3bb4 h ILE 186 Cb 1.05 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3bb4 h ILE 186 CO 0.10 0.12 0.22 -0.09 0.00 0.00 0.00 178.15 178.50 3bb4 h ARG 187 N 0.68 0.82 0.02 2.37 1.12 -1.18 -2.95 114.38 115.27 3bb4 h ARG 187 Ca 0.26 -0.15 -0.14 0.00 -1.11 0.00 0.00 59.98 58.84 3bb4 h ARG 187 Cb 0.09 -0.13 0.01 0.00 -0.01 0.00 0.00 29.97 29.93 3bb4 h ARG 187 CO -0.14 0.71 -0.56 0.00 -3.11 0.00 0.00 179.97 176.88 3bb4 h ALA 188 N 1.07 0.03 0.00 2.80 0.00 -1.30 -3.11 119.26 118.75 3bb4 h ALA 188 Ca 0.18 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3bb4 h ALA 188 Cb 0.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3bb4 h ALA 188 CO -0.01 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.94 3bb4 n GLY 189 N 1.18 -0.76 0.58 0.00 0.00 -0.01 -3.40 105.19 102.78 3bb4 n GLY 189 Ca -0.11 -0.09 0.05 0.00 0.00 0.00 0.00 46.02 45.87 3bb4 n GLY 189 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3bb4 n SER 190 N -1.21 2.85 0.00 1.61 2.88 -1.12 -3.27 113.62 115.36 3bb4 n SER 190 Ca 0.10 -2.00 0.00 0.00 -1.33 0.00 0.00 58.87 55.63 3bb4 n SER 190 Cb 0.11 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 3bb4 n SER 190 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3bb4 n LYS 191 N 0.42 0.00 -2.57 -1.46 5.02 -1.22 -4.84 118.16 113.51 3bb4 n LYS 191 Ca 0.11 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.06 3bb4 n LYS 191 Cb 0.41 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.38 3bb4 n LYS 191 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3bb4 s MET 192 N 0.00 3.84 0.27 1.97 -1.94 -1.17 -5.04 119.30 117.23 3bb4 s MET 192 Ca 0.00 1.33 -0.17 0.00 -1.71 0.00 0.00 55.69 55.14 3bb4 s MET 192 Cb 0.00 -2.10 -0.09 0.00 2.01 0.00 0.00 34.83 34.65 3bb4 s MET 192 CO 0.00 -0.39 0.72 0.50 -0.01 0.00 0.00 175.02 175.84 3bb4 s ARG 193 N -3.24 4.11 0.32 2.03 6.06 -1.26 -4.86 118.95 122.12 3bb4 s ARG 193 Ca 0.67 0.75 0.07 0.00 -2.50 0.00 0.00 55.73 54.71 3bb4 s ARG 193 Cb -0.15 -2.65 0.91 0.00 0.06 0.00 0.00 34.95 33.11 3bb4 s ARG 193 CO 0.19 0.28 1.57 1.57 -2.50 0.00 0.00 175.30 176.41 3bb4 h LYS 194 N 2.82 0.01 -0.02 5.12 -0.00 -1.97 -1.72 116.57 120.80 3bb4 h LYS 194 Ca -0.48 -0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.18 3bb4 h LYS 194 Cb 1.18 -0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.40 3bb4 h LYS 194 CO 0.65 0.00 -0.08 0.37 -0.00 0.00 0.00 179.45 180.40 3bb4 h GLN 195 N 0.01 -0.08 0.00 0.07 -0.00 -2.02 -2.50 115.11 110.59 3bb4 h GLN 195 Ca 0.67 0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 59.30 3bb4 h GLN 195 Cb 1.49 0.02 -0.00 0.00 0.00 0.00 0.00 27.48 28.99 3bb4 h GLN 195 CO -0.89 -0.05 -0.07 0.93 0.00 0.00 0.00 178.83 178.74 3bb4 h GLU 196 N -0.08 0.00 0.07 1.69 5.08 -1.84 -3.18 114.58 116.32 3bb4 h GLU 196 Ca 0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3bb4 h GLU 196 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3bb4 h GLU 196 CO -0.07 0.07 -0.03 0.35 -1.00 0.00 0.00 179.01 178.33 3bb4 h PHE 197 N 0.00 -0.09 -0.61 4.33 3.57 -0.91 -1.66 116.94 121.58 3bb4 h PHE 197 Ca -0.00 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.53 3bb4 h PHE 197 Cb 0.18 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 3bb4 h PHE 197 CO 0.00 0.44 0.36 0.93 -2.23 0.00 0.00 178.31 177.81 3bb4 h GLU 198 N -0.69 0.67 0.00 1.11 3.07 -1.55 -2.11 114.58 115.08 3bb4 h GLU 198 Ca -0.01 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3bb4 h GLU 198 Cb 0.57 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3bb4 h GLU 198 CO 0.02 0.44 0.00 -0.25 -1.40 0.00 0.00 179.01 177.82 3bb4 n ASP 199 N -4.77 0.00 -0.06 1.42 8.00 -1.20 -0.85 116.55 119.09 3bb4 n ASP 199 Ca 0.06 0.25 0.12 0.00 0.71 0.00 0.00 54.79 55.93 3bb4 n ASP 199 Cb 0.11 -0.35 0.16 0.00 -0.02 0.00 0.00 41.12 41.02 3bb4 n ASP 199 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3bb4 n SER 200 N -1.35 0.77 0.00 -2.24 2.88 -0.63 -4.99 113.62 108.06 3bb4 n SER 200 Ca 0.04 -0.59 0.00 0.00 -1.33 0.00 0.00 58.87 57.00 3bb4 n SER 200 Cb 0.10 0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 3bb4 n SER 200 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3bb4 n ALA 201 N -1.31 0.00 -1.68 -1.46 0.00 -0.03 -4.78 120.51 111.25 3bb4 n ALA 201 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.08 3bb4 n ALA 201 Cb 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.76 3bb4 n ALA 201 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3bb4 s ILE 202 N 0.00 3.06 0.42 0.00 1.01 -1.26 -5.00 121.20 119.42 3bb4 s ILE 202 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 60.65 60.62 3bb4 s ILE 202 Cb 0.00 -3.05 -0.06 0.00 0.01 0.00 0.00 42.46 39.36 3bb4 s ILE 202 CO 0.00 -0.02 0.78 0.00 0.00 0.00 0.00 174.94 175.70 3bb4 s ALA 203 N 5.83 3.35 -0.24 9.38 0.00 -1.26 -4.86 121.76 133.95 3bb4 s ALA 203 Ca 0.92 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 52.60 3bb4 s ALA 203 Cb -0.38 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.04 3bb4 s ALA 203 CO 0.39 -0.07 -0.02 0.08 0.00 0.00 0.00 175.76 176.14 3bb4 s VAL 204 N -2.44 3.44 0.12 0.00 1.01 -1.26 -1.47 120.40 119.80 3bb4 s VAL 204 Ca 0.51 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.94 3bb4 s VAL 204 Cb -0.10 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3bb4 s VAL 204 CO 0.34 0.30 -0.07 0.68 0.00 0.00 0.00 175.10 176.35 3bb4 s VAL 205 N 1.46 3.48 -0.00 2.92 -7.23 -0.49 -5.00 120.40 115.53 3bb4 s VAL 205 Ca 0.04 -1.29 0.03 0.00 -1.81 0.00 0.00 61.98 58.95 3bb4 s VAL 205 Cb -0.15 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 3bb4 s VAL 205 CO -0.02 0.06 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.45 3bb4 s TYR 206 N -1.34 2.89 -0.05 2.82 2.02 -1.26 -1.52 117.35 120.92 3bb4 s TYR 206 Ca 0.23 -0.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.91 3bb4 s TYR 206 Cb -0.11 -1.61 0.02 0.00 -0.40 0.00 0.00 41.96 39.86 3bb4 s TYR 206 CO 0.15 0.37 -0.07 0.00 -1.57 0.00 0.00 175.55 174.43 3bb4 s ALA 207 N -0.98 0.82 -0.28 3.71 0.00 0.94 -4.88 121.76 121.09 3bb4 s ALA 207 Ca 0.17 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 51.99 3bb4 s ALA 207 Cb -0.11 -0.43 0.07 0.00 0.00 0.00 0.00 23.12 22.65 3bb4 s ALA 207 CO 0.07 0.04 -0.04 -2.00 0.00 0.00 0.00 175.76 173.84 3bb4 s GLU 208 N 0.74 1.79 0.00 0.00 2.56 -1.26 -1.73 118.70 120.80 3bb4 s GLU 208 Ca -0.11 -1.42 0.28 0.00 0.00 0.00 0.00 54.97 53.72 3bb4 s GLU 208 Cb -0.14 -2.88 1.15 0.00 2.00 0.00 0.00 34.13 34.27 3bb4 s GLU 208 CO 0.01 -0.71 1.80 0.09 -0.56 0.00 0.00 175.26 175.89 3bb4 n ASN 209 N 4.45 0.84 -4.77 -1.70 3.02 -1.26 -4.93 115.26 110.91 3bb4 n ASN 209 Ca -0.07 -0.97 -0.39 0.00 -0.03 0.00 0.00 54.58 53.12 3bb4 n ASN 209 Cb 0.42 0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.56 3bb4 n ASN 209 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3bb4 s SER 210 N -2.28 6.96 0.50 6.41 0.15 -1.26 -4.95 113.70 119.23 3bb4 s SER 210 Ca 0.33 2.29 0.25 0.00 0.70 0.00 0.00 55.95 59.51 3bb4 s SER 210 Cb 0.20 -2.62 1.35 0.00 -1.71 0.00 0.00 66.02 63.24 3bb4 s SER 210 CO 0.43 -0.36 2.04 1.23 1.20 0.00 0.00 173.24 177.78 3bb4 h GLY 211 N 3.27 0.00 0.35 9.45 0.00 -2.04 -2.94 103.07 111.16 3bb4 h GLY 211 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3bb4 h GLY 211 CO 0.65 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.73 3bb4 n ARG 212 N -3.73 0.35 -2.80 4.80 5.12 -1.26 -4.83 116.66 114.32 3bb4 n ARG 212 Ca -0.02 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.47 3bb4 n ARG 212 Cb 0.25 -1.18 -0.04 0.00 -1.16 0.00 0.00 32.46 30.34 3bb4 n ARG 212 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3bb4 n SER 214 N 7.38 0.09 -4.85 0.00 7.64 -1.26 -4.72 113.62 117.91 3bb4 n SER 214 Ca 0.05 0.11 -0.37 0.00 1.01 0.00 0.00 58.87 59.67 3bb4 n SER 214 Cb 0.48 -0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.55 3bb4 n SER 214 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3bb4 s LYS 215 N 0.23 3.81 0.94 1.43 1.02 -1.26 -1.33 119.74 124.58 3bb4 s LYS 215 Ca 0.09 0.28 -0.16 0.00 0.02 0.00 0.00 55.97 56.20 3bb4 s LYS 215 Cb -0.13 -3.16 0.22 0.00 -0.52 0.00 0.00 37.83 34.24 3bb4 s LYS 215 CO 0.07 0.67 1.13 0.27 -0.92 0.00 0.00 175.35 176.58 3bb4 n ASN 216 N 1.62 -0.51 -0.41 2.83 0.23 -0.24 -4.84 115.26 113.94 3bb4 n ASN 216 Ca -0.13 -1.33 0.01 0.00 -0.53 0.00 0.00 54.58 52.60 3bb4 n ASN 216 Cb 0.53 -0.91 0.05 0.00 -2.08 0.00 0.00 39.78 37.37 3bb4 n ASN 216 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3bb4 n ASP 217 N -4.03 1.03 -0.72 0.53 9.92 -1.26 -1.94 116.55 120.08 3bb4 n ASP 217 Ca 0.15 -2.06 0.07 0.00 -0.53 0.00 0.00 54.79 52.42 3bb4 n ASP 217 Cb 0.52 -0.26 0.20 0.00 -0.64 0.00 0.00 41.12 40.94 3bb4 n ASP 217 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3bb4 n LYS 218 N -0.08 2.82 -1.00 -1.24 5.02 -1.26 -5.02 118.16 117.41 3bb4 n LYS 218 Ca 0.04 -2.49 -0.00 0.00 -2.02 0.00 0.00 58.31 53.84 3bb4 n LYS 218 Cb 0.21 -1.58 -0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3bb4 n LYS 218 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3bb4 n ASP 219 N -0.20 -4.04 -4.76 4.39 2.03 -0.82 -4.60 116.55 108.56 3bb4 n ASP 219 Ca 0.17 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.09 3bb4 n ASP 219 Cb 0.68 -1.54 -0.06 0.00 -0.72 0.00 0.00 41.12 39.48 3bb4 n ASP 219 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3bb4 s GLU 220 N -0.70 4.26 -0.39 -0.67 2.02 -1.26 -4.78 118.70 117.19 3bb4 s GLU 220 Ca 0.00 0.55 -0.35 0.00 0.02 0.00 0.00 54.97 55.19 3bb4 s GLU 220 Cb 0.00 -3.36 -0.15 0.00 0.10 0.00 0.00 34.13 30.72 3bb4 s GLU 220 CO 0.00 0.33 1.50 1.63 0.02 0.00 0.00 175.26 178.74 3bb4 n LYS 221 N 3.00 0.00 -4.55 1.61 4.76 -1.26 -1.08 118.16 120.64 3bb4 n LYS 221 Ca -0.08 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.06 3bb4 n LYS 221 Cb 0.51 -1.16 -0.12 0.00 -1.84 0.00 0.00 35.03 32.42 3bb4 n LYS 221 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bb4 s ALA 222 N 3.77 2.58 0.80 7.82 0.00 -0.44 -1.61 121.76 134.68 3bb4 s ALA 222 Ca 0.89 -1.27 -0.12 0.00 0.00 0.00 0.00 51.96 51.46 3bb4 s ALA 222 Cb -1.16 -0.66 0.07 0.00 0.00 0.00 0.00 23.12 21.36 3bb4 s ALA 222 CO 0.56 0.57 1.12 -0.51 0.00 0.00 0.00 175.76 177.50 3bb4 s LEU 223 N -1.69 2.56 0.38 0.00 1.43 -0.27 -4.64 118.68 116.45 3bb4 s LEU 223 Ca 0.15 1.12 0.19 0.00 -1.03 0.00 0.00 54.13 54.57 3bb4 s LEU 223 Cb -0.10 -3.71 1.16 0.00 0.03 0.00 0.00 46.19 43.56 3bb4 s LEU 223 CO 0.07 -1.90 1.69 -0.65 0.23 0.00 0.00 176.35 175.79 3bb4 h PRO 224 N -1.04 0.30 0.00 1.29 0.11 -1.92 0.11 132.00 130.85 3bb4 h PRO 224 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3bb4 h PRO 224 Cb 1.28 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3bb4 h PRO 224 CO 0.62 0.20 0.00 0.27 -0.21 0.00 0.00 178.00 178.88 3bb4 n ASN 225 N -4.81 0.59 0.00 -2.05 6.94 -1.26 -4.90 115.26 109.76 3bb4 n ASN 225 Ca 0.31 0.60 0.00 0.00 -0.02 0.00 0.00 54.58 55.47 3bb4 n ASN 225 Cb 1.04 -0.74 0.00 0.00 -2.36 0.00 0.00 39.78 37.72 3bb4 n ASN 225 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3bb4 n GLY 226 N 0.58 1.94 3.79 4.83 0.00 0.39 -5.10 105.19 111.62 3bb4 n GLY 226 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3bb4 n GLY 226 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bb4 s GLU 227 N 0.00 4.47 -0.21 1.61 2.02 -1.26 -4.59 118.70 120.74 3bb4 s GLU 227 Ca 0.00 1.05 -0.28 0.00 0.02 0.00 0.00 54.97 55.76 3bb4 s GLU 227 Cb 0.00 -3.22 -0.05 0.00 0.10 0.00 0.00 34.13 30.97 3bb4 s GLU 227 CO 0.00 0.57 2.07 0.00 0.02 0.00 0.00 175.26 177.92 3bb4 s ALA 228 N -1.18 2.89 0.17 5.21 0.00 -1.26 -1.11 121.76 126.47 3bb4 s ALA 228 Ca 0.35 0.72 0.12 0.00 0.00 0.00 0.00 51.96 53.16 3bb4 s ALA 228 Cb -0.22 -4.02 0.29 0.00 0.00 0.00 0.00 23.12 19.17 3bb4 s ALA 228 CO 0.24 -2.57 1.55 0.11 0.00 0.00 0.00 175.76 175.10 3bb4 h TRP 229 N 13.86 0.00 -0.04 0.00 5.08 -1.64 -2.78 115.95 130.43 3bb4 h TRP 229 Ca -0.40 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.51 3bb4 h TRP 229 Cb 1.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 3bb4 h TRP 229 CO 0.94 0.62 -0.22 0.82 -1.28 0.00 0.00 178.44 179.32 3bb4 h ILE 230 N 0.00 1.47 -0.89 0.12 2.04 -1.90 -0.09 117.51 118.25 3bb4 h ILE 230 Ca -0.01 -1.71 0.18 0.00 1.00 0.00 0.00 64.86 64.32 3bb4 h ILE 230 Cb 1.22 2.47 -0.11 0.00 -0.74 0.00 0.00 36.82 39.66 3bb4 h ILE 230 CO 0.08 0.48 0.46 -0.65 0.00 0.00 0.00 178.15 178.52 3bb4 h PRO 231 N -0.35 0.56 -0.69 2.37 0.11 -1.90 -0.51 132.00 131.58 3bb4 h PRO 231 Ca -0.02 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.99 3bb4 h PRO 231 Cb 0.89 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.85 3bb4 h PRO 231 CO 0.05 0.37 0.15 -0.91 -0.21 0.00 0.00 178.00 177.45 3bb4 h ASN 232 N 0.58 1.06 -0.10 -2.05 4.21 -1.34 -0.20 115.58 117.73 3bb4 h ASN 232 Ca 0.52 -0.23 -0.02 0.00 1.21 0.00 0.00 56.30 57.78 3bb4 h ASN 232 Cb 0.84 -0.28 -0.00 0.00 -1.12 0.00 0.00 38.32 37.76 3bb4 h ASN 232 CO -0.42 1.03 0.00 0.25 -1.29 0.00 0.00 177.43 177.00 3bb4 h LEU 233 N 1.06 0.18 -1.00 1.61 5.85 -0.64 -1.78 115.31 120.58 3bb4 h LEU 233 Ca 0.22 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 3bb4 h LEU 233 Cb 0.39 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3bb4 h LEU 233 CO 0.01 0.44 0.37 0.58 -0.34 0.00 0.00 178.44 179.49 3bb4 h VAL 234 N -0.09 1.24 -0.91 1.05 2.07 -1.10 -0.97 116.25 117.54 3bb4 h VAL 234 Ca 0.03 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 3bb4 h VAL 234 Cb 0.34 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 3bb4 h VAL 234 CO 0.00 0.28 0.54 0.50 0.02 0.00 0.00 177.57 178.91 3bb4 h LYS 235 N 1.07 1.24 0.05 1.57 3.64 -0.95 -0.42 116.57 122.78 3bb4 h LYS 235 Ca 0.26 -0.12 -0.23 0.00 -1.27 0.00 0.00 60.65 59.29 3bb4 h LYS 235 Cb 0.10 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 3bb4 h LYS 235 CO -0.03 0.88 -1.08 0.00 -2.27 0.00 0.00 179.45 176.95 3bb4 h ALA 236 N 1.33 0.27 0.19 5.00 0.00 -1.02 -2.18 119.26 122.86 3bb4 h ALA 236 Ca 0.33 -0.88 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 3bb4 h ALA 236 Cb -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3bb4 h ALA 236 CO -0.06 1.12 -0.09 0.82 0.00 0.00 0.00 179.25 181.04 3bb4 h ILE 237 N 0.03 0.90 -1.01 0.00 2.04 -1.10 -2.15 117.51 116.23 3bb4 h ILE 237 Ca -0.06 -0.48 0.23 0.00 1.00 0.00 0.00 64.86 65.55 3bb4 h ILE 237 Cb 1.82 1.19 -0.12 0.00 -0.74 0.00 0.00 36.82 38.97 3bb4 h ILE 237 CO 0.16 0.11 0.60 0.74 0.00 0.00 0.00 178.15 179.76 3bb4 h THR 238 N -0.49 0.58 -0.30 -0.27 2.02 -1.11 0.13 112.91 113.46 3bb4 h THR 238 Ca -0.03 -0.21 -0.18 0.00 0.77 0.00 0.00 66.41 66.76 3bb4 h THR 238 Cb 0.38 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.69 3bb4 h THR 238 CO 0.04 0.11 -0.53 0.44 0.37 0.00 0.00 175.52 175.96 3bb4 h ASP 239 N 0.62 0.97 -0.06 4.18 5.19 -1.32 -2.47 116.42 123.53 3bb4 h ASP 239 Ca 0.63 -0.51 -0.19 0.00 -0.62 0.00 0.00 57.03 56.34 3bb4 h ASP 239 Cb 1.15 -0.28 0.01 0.00 0.18 0.00 0.00 39.33 40.40 3bb4 h ASP 239 CO -0.45 1.31 -0.71 0.58 -3.12 0.00 0.00 179.24 176.84 3bb4 h VAL 240 N 0.68 1.34 -0.87 -1.35 2.07 -0.95 -1.69 116.25 115.48 3bb4 h VAL 240 Ca 0.02 -2.02 0.25 0.00 0.82 0.00 0.00 66.70 65.78 3bb4 h VAL 240 Cb 1.13 2.29 -0.03 0.00 -1.52 0.00 0.00 31.29 33.16 3bb4 h VAL 240 CO 0.12 0.61 0.63 0.00 0.02 0.00 0.00 177.57 178.95 3bb4 h ALA 241 N 0.43 2.83 -0.02 1.67 0.00 -0.79 -2.55 119.26 120.83 3bb4 h ALA 241 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3bb4 h ALA 241 Cb 1.38 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3bb4 h ALA 241 CO 0.14 -1.08 -0.28 2.41 0.00 0.00 0.00 179.25 180.44 3bb4 n THR 242 N -4.27 0.00 1.16 0.00 -1.04 -0.93 -4.76 114.28 104.43 3bb4 n THR 242 Ca 0.18 -0.36 0.03 0.00 -2.04 0.00 0.00 64.05 61.86 3bb4 n THR 242 Cb 0.94 1.29 0.18 0.00 -1.82 0.00 0.00 70.33 70.92 3bb4 n THR 242 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3bb4 n ASN 243 N 0.30 0.00 0.00 8.00 6.94 -0.64 -4.82 115.26 125.04 3bb4 n ASN 243 Ca 0.09 -0.96 0.00 0.00 -0.02 0.00 0.00 54.58 53.69 3bb4 n ASN 243 Cb 0.44 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.86 3bb4 n ASN 243 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3bb4 n GLN 244 N -0.67 -0.11 -2.42 -3.83 6.02 -1.26 -4.96 117.38 110.15 3bb4 n GLN 244 Ca 0.05 0.03 -0.35 0.00 -0.01 0.00 0.00 57.00 56.72 3bb4 n GLN 244 Cb 0.02 -4.24 -0.02 0.00 1.02 0.00 0.00 30.24 27.02 3bb4 n GLN 244 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3bb4 s ARG 245 N -0.91 3.64 0.23 -1.09 1.81 -1.26 -5.03 118.95 116.34 3bb4 s ARG 245 Ca 0.00 1.48 -0.30 0.00 -1.72 0.00 0.00 55.73 55.19 3bb4 s ARG 245 Cb 0.00 -2.09 -0.09 0.00 -0.45 0.00 0.00 34.95 32.32 3bb4 s ARG 245 CO 0.00 -0.58 0.97 -1.59 -0.68 0.00 0.00 175.30 173.41 3bb4 s LYS 246 N -3.20 4.80 0.95 3.54 -2.85 -1.26 -5.02 119.74 116.71 3bb4 s LYS 246 Ca 0.69 1.53 -0.11 0.00 -1.00 0.00 0.00 55.97 57.08 3bb4 s LYS 246 Cb -0.20 -3.28 0.14 0.00 -2.06 0.00 0.00 37.83 32.43 3bb4 s LYS 246 CO 0.24 0.43 1.00 0.00 0.10 0.00 0.00 175.35 177.12 3bb4 n ALA 247 N 1.64 -1.32 -2.71 0.59 0.00 -1.26 -4.96 120.51 112.49 3bb4 n ALA 247 Ca -0.01 -0.63 -0.36 0.00 0.00 0.00 0.00 53.44 52.45 3bb4 n ALA 247 Cb 0.47 -2.11 -0.08 0.00 0.00 0.00 0.00 19.45 17.73 3bb4 n ALA 247 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3bb4 s ILE 248 N -2.58 5.39 0.00 0.00 -1.09 -0.39 -4.92 121.20 117.61 3bb4 s ILE 248 Ca 0.65 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 59.28 3bb4 s ILE 248 Cb -0.23 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.16 3bb4 s ILE 248 CO 0.60 0.41 0.00 1.57 -1.23 0.00 0.00 174.94 176.29 3bb4 n HIS 249 N 3.74 0.00 0.00 3.97 -0.00 -1.26 -0.32 115.22 121.35 3bb4 n HIS 249 Ca -0.15 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.03 3bb4 n HIS 249 Cb 0.52 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 3bb4 n HIS 249 CO 0.00 0.00 0.00 1.33 0.46 0.00 0.00 176.34 178.13