#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bsq s ILE 17 N 0.00 4.28 -0.79 1.39 -1.09 0.25 -4.12 121.20 121.13 3bsq s ILE 17 Ca 0.00 -0.21 -0.04 0.00 -2.23 0.00 0.00 60.65 58.17 3bsq s ILE 17 Cb 0.00 -2.93 0.00 0.00 -1.58 0.00 0.00 42.46 37.96 3bsq s ILE 17 CO 0.00 0.44 0.54 -0.67 -1.23 0.00 0.00 174.94 174.02 3bsq n ASP 18 N 3.89 -4.31 -0.39 3.58 4.64 -1.26 -2.62 116.55 120.09 3bsq n ASP 18 Ca -0.17 -0.25 0.00 0.00 -1.38 0.00 0.00 54.79 53.00 3bsq n ASP 18 Cb 0.52 -3.00 0.00 0.00 -1.04 0.00 0.00 41.12 37.60 3bsq n ASP 18 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3bsq n GLY 19 N -1.28 5.43 3.08 0.27 0.00 -1.26 -4.86 105.19 106.57 3bsq n GLY 19 Ca -0.02 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 43.84 3bsq n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bsq s ALA 20 N -2.00 -0.13 -0.26 4.61 0.00 0.20 -4.89 121.76 119.30 3bsq s ALA 20 Ca 0.00 -0.39 -0.31 0.00 0.00 0.00 0.00 51.96 51.27 3bsq s ALA 20 Cb 0.00 0.16 -0.08 0.00 0.00 0.00 0.00 23.12 23.21 3bsq s ALA 20 CO 0.00 -0.23 2.19 -0.35 0.00 0.00 0.00 175.76 177.37 3bsq n PRO 21 N 1.27 1.66 -1.59 0.00 -0.04 -1.26 -0.82 135.00 134.22 3bsq n PRO 21 Ca -0.22 0.47 -0.48 0.00 -0.04 0.00 0.00 63.50 63.23 3bsq n PRO 21 Cb 0.56 -2.93 -0.04 0.00 -0.04 0.00 0.00 33.50 31.06 3bsq n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bsq s ALA 23 N -0.31 3.84 -0.04 0.00 0.00 -1.26 -4.86 121.76 119.12 3bsq s ALA 23 Ca 0.70 1.46 -0.21 0.00 0.00 0.00 0.00 51.96 53.91 3bsq s ALA 23 Cb -0.81 -3.68 -0.10 0.00 0.00 0.00 0.00 23.12 18.53 3bsq s ALA 23 CO 0.53 -0.92 0.59 0.54 0.00 0.00 0.00 175.76 176.50 3bsq n ARG 24 N 4.33 0.00 -1.66 0.00 5.12 -1.26 -1.86 116.66 121.34 3bsq n ARG 24 Ca 0.15 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.93 3bsq n ARG 24 Cb 0.37 -0.76 -0.05 0.00 -1.16 0.00 0.00 32.46 30.86 3bsq n ARG 24 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3bsq n GLY 25 N 0.96 0.93 0.50 -0.13 0.00 -1.26 -4.80 105.19 101.39 3bsq n GLY 25 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 3bsq n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bsq n SER 26 N -0.93 1.64 -2.73 1.61 3.41 -0.78 -4.41 113.62 111.43 3bsq n SER 26 Ca -0.15 -1.43 -0.19 0.00 -0.26 0.00 0.00 58.87 56.84 3bsq n SER 26 Cb 0.51 0.06 -0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3bsq n SER 26 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3bsq n HIS 27 N 0.14 2.17 0.93 7.33 8.25 -1.26 -4.92 115.22 127.86 3bsq n HIS 27 Ca 0.16 -3.25 0.10 0.00 -0.26 0.00 0.00 57.72 54.46 3bsq n HIS 27 Cb 0.40 -0.31 0.49 0.00 1.12 0.00 0.00 29.99 31.69 3bsq n HIS 27 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3bsq n PRO 28 N -0.17 0.29 0.01 -0.41 -0.04 -1.26 -1.30 135.00 132.12 3bsq n PRO 28 Ca 0.25 0.10 0.11 0.00 -0.04 0.00 0.00 63.50 63.92 3bsq n PRO 28 Cb 0.68 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.68 3bsq n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3bsq n TRP 29 N -1.27 0.11 -2.48 0.54 2.14 -1.25 -1.41 117.44 113.82 3bsq n TRP 29 Ca 0.09 0.03 -0.41 0.00 2.07 0.00 0.00 57.50 59.28 3bsq n TRP 29 Cb 0.15 -0.27 -0.04 0.00 -0.81 0.00 0.00 31.31 30.35 3bsq n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3bsq s GLN 30 N -3.09 4.53 0.34 -2.67 2.00 -0.42 -0.77 119.66 119.58 3bsq s GLN 30 Ca 0.07 1.73 0.04 0.00 -2.00 0.00 0.00 55.36 55.20 3bsq s GLN 30 Cb 0.16 -3.31 -0.07 0.00 0.80 0.00 0.00 33.01 30.60 3bsq s GLN 30 CO 0.79 -0.05 0.05 0.14 -0.50 0.00 0.00 175.29 175.72 3bsq s VAL 31 N 0.25 1.32 -0.01 1.34 -7.23 -0.66 -4.78 120.40 110.63 3bsq s VAL 31 Ca 0.53 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.76 3bsq s VAL 31 Cb -0.29 -2.82 -0.02 0.00 0.56 0.00 0.00 36.38 33.81 3bsq s VAL 31 CO 0.33 0.00 -0.20 0.00 -0.31 0.00 0.00 175.10 174.92 3bsq s ALA 32 N -3.19 1.63 -0.28 1.32 0.00 0.25 -2.52 121.76 118.98 3bsq s ALA 32 Ca 0.36 -0.84 -0.09 0.00 0.00 0.00 0.00 51.96 51.39 3bsq s ALA 32 Cb 0.09 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 3bsq s ALA 32 CO 0.16 0.40 0.12 -0.51 0.00 0.00 0.00 175.76 175.92 3bsq s LEU 33 N -0.46 3.76 0.11 0.00 1.43 0.70 -0.05 118.68 124.18 3bsq s LEU 33 Ca 0.08 -0.30 0.06 0.00 -1.03 0.00 0.00 54.13 52.93 3bsq s LEU 33 Cb -0.08 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 3bsq s LEU 33 CO -0.01 -0.10 -0.02 -0.76 0.23 0.00 0.00 176.35 175.69 3bsq s LEU 34 N 1.63 3.33 -0.02 1.79 1.43 0.47 -0.96 118.68 126.35 3bsq s LEU 34 Ca 0.06 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 3bsq s LEU 34 Cb -0.16 -2.06 -0.00 0.00 0.03 0.00 0.00 46.19 44.00 3bsq s LEU 34 CO 0.06 0.16 -0.11 -0.55 0.23 0.00 0.00 176.35 176.14 3bsq s SER 35 N -2.41 1.38 1.92 2.29 0.15 -0.51 -1.60 113.70 114.92 3bsq s SER 35 Ca 0.25 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.68 3bsq s SER 35 Cb -0.11 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 3bsq s SER 35 CO 0.17 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.32 3bsq n GLY 36 N 3.17 3.89 0.71 9.45 0.00 -1.26 -0.40 105.19 120.75 3bsq n GLY 36 Ca -0.17 0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.02 3bsq n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bsq n ASN 37 N 9.33 0.90 -4.78 1.61 5.03 -1.26 -5.00 115.26 121.10 3bsq n ASN 37 Ca 0.00 -2.42 -0.39 0.00 0.87 0.00 0.00 54.58 52.64 3bsq n ASN 37 Cb 0.00 -0.31 -0.06 0.00 -1.02 0.00 0.00 39.78 38.39 3bsq n ASN 37 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 3bsq s GLN 38 N -0.90 4.42 0.19 3.52 2.00 0.46 -5.04 119.66 124.30 3bsq s GLN 38 Ca 0.20 0.96 -0.32 0.00 -2.00 0.00 0.00 55.36 54.20 3bsq s GLN 38 Cb 0.20 -3.29 -0.12 0.00 0.80 0.00 0.00 33.01 30.60 3bsq s GLN 38 CO -0.05 0.50 1.70 -0.11 -0.50 0.00 0.00 175.29 176.82 3bsq n LEU 39 N 2.06 3.76 -0.04 3.68 7.94 -1.26 -1.42 117.00 131.72 3bsq n LEU 39 Ca -0.06 1.06 -0.07 0.00 -1.11 0.00 0.00 56.01 55.83 3bsq n LEU 39 Cb 0.50 -1.53 -0.03 0.00 0.53 0.00 0.00 43.42 42.89 3bsq n LEU 39 CO 0.45 0.06 -0.74 1.57 -1.11 0.00 0.00 177.39 177.61 3bsq n HIS 40 N 3.99 0.00 -3.78 1.96 -0.00 -0.13 -4.86 115.22 112.39 3bsq n HIS 40 Ca 0.17 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.79 3bsq n HIS 40 Cb 0.33 -0.26 -0.05 0.00 -0.00 0.00 0.00 29.99 30.01 3bsq n HIS 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3bsq n GLY 42 N -0.28 1.44 3.91 0.00 0.00 0.32 -0.21 105.19 110.37 3bsq n GLY 42 Ca -0.11 -2.15 0.04 0.00 0.00 0.00 0.00 46.02 43.81 3bsq n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bsq s GLY 43 N -4.74 -0.28 -0.00 -0.02 0.00 -1.05 -4.10 107.32 97.13 3bsq s GLY 43 Ca 0.61 0.35 0.03 0.00 0.00 0.00 0.00 44.72 45.72 3bsq s GLY 43 CO 0.40 5.11 -0.11 -1.34 0.00 0.00 0.00 173.10 177.16 3bsq s VAL 44 N -2.02 0.87 -0.43 1.40 -7.23 0.30 -1.65 120.40 111.66 3bsq s VAL 44 Ca 0.28 -0.53 -0.26 0.00 -1.81 0.00 0.00 61.98 59.66 3bsq s VAL 44 Cb 0.02 -0.74 0.02 0.00 0.56 0.00 0.00 36.38 36.24 3bsq s VAL 44 CO -0.04 0.21 0.96 -0.22 -0.31 0.00 0.00 175.10 175.69 3bsq s LEU 45 N -0.37 3.95 0.00 1.32 2.96 0.05 -4.19 118.68 122.40 3bsq s LEU 45 Ca 0.04 0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 54.21 3bsq s LEU 45 Cb -0.05 -3.27 -0.30 0.00 0.50 0.00 0.00 46.19 43.07 3bsq s LEU 45 CO -0.00 -1.01 0.87 -0.37 -1.32 0.00 0.00 176.35 174.52 3bsq h VAL 46 N 6.00 1.16 -2.71 1.68 -1.51 -1.33 -1.16 116.25 118.38 3bsq h VAL 46 Ca -0.24 -2.74 -0.02 0.00 -1.23 0.00 0.00 66.70 62.48 3bsq h VAL 46 Cb 1.07 2.84 0.01 0.00 -2.13 0.00 0.00 31.29 33.08 3bsq h VAL 46 CO 1.02 0.84 0.21 -0.46 -1.23 0.00 0.00 177.57 177.95 3bsq n ASN 47 N -3.55 -1.68 -0.00 4.19 6.94 -1.20 -4.40 115.26 115.55 3bsq n ASN 47 Ca -0.18 -2.15 0.23 0.00 -0.02 0.00 0.00 54.58 52.46 3bsq n ASN 47 Cb 1.06 2.79 0.65 0.00 -2.36 0.00 0.00 39.78 41.93 3bsq n ASN 47 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 3bsq h GLU 48 N 0.00 0.00 -0.01 -3.83 3.07 -1.94 -1.71 114.58 110.16 3bsq h GLU 48 Ca -0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 3bsq h GLU 48 Cb 0.91 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 3bsq h GLU 48 CO 0.31 0.00 -0.18 0.54 -1.40 0.00 0.00 179.01 178.28 3bsq n ARG 49 N -3.54 1.63 -3.88 2.33 5.12 -1.26 -1.88 116.66 115.19 3bsq n ARG 49 Ca 0.12 -0.82 -0.11 0.00 -1.93 0.00 0.00 57.85 55.11 3bsq n ARG 49 Cb 0.91 -1.17 -0.12 0.00 -1.16 0.00 0.00 32.46 30.92 3bsq n ARG 49 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3bsq s TRP 50 N -1.40 0.02 0.04 -1.55 0.52 -0.64 -0.79 118.94 115.14 3bsq s TRP 50 Ca 0.11 -0.02 -0.00 0.00 0.02 0.00 0.00 56.10 56.20 3bsq s TRP 50 Cb 0.10 -0.04 -0.03 0.00 -1.15 0.00 0.00 33.47 32.35 3bsq s TRP 50 CO 0.26 -0.15 -0.03 0.08 0.02 0.00 0.00 176.95 177.13 3bsq s VAL 51 N -0.69 0.23 -0.08 4.03 1.01 -0.77 -0.84 120.40 123.29 3bsq s VAL 51 Ca -0.08 -1.50 -0.04 0.00 0.00 0.00 0.00 61.98 60.37 3bsq s VAL 51 Cb -0.05 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.26 3bsq s VAL 51 CO 0.00 -0.81 0.07 0.18 0.00 0.00 0.00 175.10 174.55 3bsq n LEU 52 N 0.64 -3.62 0.00 3.92 7.99 -0.60 0.52 117.00 125.85 3bsq n LEU 52 Ca -0.17 0.77 0.00 0.00 -0.01 0.00 0.00 56.01 56.59 3bsq n LEU 52 Cb 0.59 -1.83 0.00 0.00 -0.11 0.00 0.00 43.42 42.07 3bsq n LEU 52 CO 0.25 -1.39 0.00 0.35 -1.51 0.00 0.00 177.39 175.09 3bsq n THR 53 N 0.54 0.00 -2.83 -5.08 -2.24 -1.24 0.11 114.28 103.54 3bsq n THR 53 Ca -0.12 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.33 3bsq n THR 53 Cb 0.19 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.35 3bsq n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bsq s ALA 54 N -0.27 3.06 0.22 6.98 0.00 -1.26 -0.64 121.76 129.86 3bsq s ALA 54 Ca 0.00 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.34 3bsq s ALA 54 Cb 0.00 -3.14 0.22 0.00 0.00 0.00 0.00 23.12 20.19 3bsq s ALA 54 CO 0.00 0.14 1.59 0.00 0.00 0.00 0.00 175.76 177.49 3bsq h ALA 55 N 1.98 0.86 0.00 0.00 0.00 -1.71 -2.50 119.26 117.89 3bsq h ALA 55 Ca -0.49 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 53.99 3bsq h ALA 55 Cb 1.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3bsq h ALA 55 CO 0.61 0.64 0.00 -2.39 0.00 0.00 0.00 179.25 178.11 3bsq n HIS 56 N -4.03 0.00 1.91 0.00 1.44 -1.26 -1.14 115.22 112.14 3bsq n HIS 56 Ca -0.02 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.73 3bsq n HIS 56 Cb 0.51 -0.41 0.24 0.00 0.12 0.00 0.00 29.99 30.45 3bsq n HIS 56 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3bsq n LYS 58 N -0.63 1.78 -3.61 0.00 3.00 -0.29 -4.98 118.16 113.42 3bsq n LYS 58 Ca 0.06 0.63 -0.10 0.00 -0.00 0.00 0.00 58.31 58.89 3bsq n LYS 58 Cb 0.03 -2.16 -0.03 0.00 0.00 0.00 0.00 35.03 32.87 3bsq n LYS 58 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 3bsq s MET 59 N -1.85 1.38 0.26 1.64 -1.94 -1.26 -5.05 119.30 112.49 3bsq s MET 59 Ca 0.58 -0.70 0.12 0.00 -1.71 0.00 0.00 55.69 53.98 3bsq s MET 59 Cb -0.59 0.56 0.29 0.00 2.01 0.00 0.00 34.83 37.10 3bsq s MET 59 CO 0.60 -0.60 1.56 -2.95 -0.01 0.00 0.00 175.02 173.62 3bsq h ASN 60 N 2.09 0.00 0.00 3.03 -0.00 -1.94 -3.47 115.58 115.29 3bsq h ASN 60 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.00 3bsq h ASN 60 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.60 3bsq h ASN 60 CO 0.36 0.63 0.00 -1.84 -0.00 0.00 0.00 177.43 176.58 3bsq n GLU 61 N -3.61 -2.17 0.00 4.14 0.28 -1.26 -4.67 120.64 113.36 3bsq n GLU 61 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3bsq n GLU 61 Cb 0.67 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.54 3bsq n GLU 61 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3bsq n TYR 62 N 0.18 0.00 -3.98 -1.84 0.53 -1.26 -4.96 117.16 105.83 3bsq n TYR 62 Ca 0.00 0.00 -0.35 0.00 -1.02 0.00 0.00 57.90 56.53 3bsq n TYR 62 Cb 0.00 0.00 -0.14 0.00 -1.03 0.00 0.00 39.34 38.17 3bsq n TYR 62 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 3bsq s THR 63 N 0.00 3.39 -0.24 -0.72 2.01 -0.63 -1.89 115.64 117.57 3bsq s THR 63 Ca 0.00 -0.49 -0.12 0.00 0.31 0.00 0.00 61.69 61.39 3bsq s THR 63 Cb 0.00 -2.53 -0.05 0.00 0.01 0.00 0.00 72.50 69.93 3bsq s THR 63 CO 0.00 0.43 0.22 -0.69 -0.69 0.00 0.00 174.62 173.89 3bsq s VAL 64 N 1.36 5.32 -0.15 3.82 1.01 0.17 -0.40 120.40 131.53 3bsq s VAL 64 Ca 0.04 0.29 -0.06 0.00 0.00 0.00 0.00 61.98 62.26 3bsq s VAL 64 Cb -0.14 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3bsq s VAL 64 CO -0.02 0.31 0.06 -2.28 0.00 0.00 0.00 175.10 173.16 3bsq s HIS 65 N 1.23 3.28 -0.24 5.22 5.65 0.93 -0.68 115.29 130.68 3bsq s HIS 65 Ca 0.10 0.17 -0.29 0.00 0.25 0.00 0.00 55.06 55.29 3bsq s HIS 65 Cb -0.14 -1.98 0.16 0.00 -1.18 0.00 0.00 32.58 29.44 3bsq s HIS 65 CO 0.06 0.33 1.21 -0.48 -0.65 0.00 0.00 174.74 175.21 3bsq s LEU 66 N -0.18 -0.19 -0.12 8.88 0.05 -1.04 -0.58 118.68 125.50 3bsq s LEU 66 Ca 0.07 0.24 -0.04 0.00 0.05 0.00 0.00 54.13 54.45 3bsq s LEU 66 Cb -0.12 1.43 0.06 0.00 -2.05 0.00 0.00 46.19 45.51 3bsq s LEU 66 CO 0.01 -0.15 0.24 -0.83 -0.55 0.00 0.00 176.35 175.07 3bsq s GLY 67 N -0.85 -0.08 0.00 -3.48 0.00 -1.24 0.49 107.32 102.17 3bsq s GLY 67 Ca 0.04 0.86 0.00 0.00 0.00 0.00 0.00 44.72 45.62 3bsq s GLY 67 CO -0.05 1.81 0.00 -1.26 0.00 0.00 0.00 173.10 173.60 3bsq n SER 68 N 5.20 0.00 0.00 1.64 2.88 -1.26 -4.72 113.62 117.36 3bsq n SER 68 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 3bsq n SER 68 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 3bsq n SER 68 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3bsq n ASP 69 N 0.00 0.00 -4.35 -3.46 10.43 -1.26 -4.79 116.55 113.12 3bsq n ASP 69 Ca 0.00 0.00 -0.33 0.00 2.57 0.00 0.00 54.79 57.03 3bsq n ASP 69 Cb 0.00 0.00 -0.15 0.00 1.84 0.00 0.00 41.12 42.81 3bsq n ASP 69 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3bsq s THR 70 N 0.00 2.83 -0.49 -3.53 2.01 -1.26 0.98 115.64 116.18 3bsq s THR 70 Ca 0.00 -0.75 -0.20 0.00 0.31 0.00 0.00 61.69 61.04 3bsq s THR 70 Cb 0.00 -2.15 0.05 0.00 0.01 0.00 0.00 72.50 70.40 3bsq s THR 70 CO 0.00 0.54 0.68 -0.76 -0.69 0.00 0.00 174.62 174.40 3bsq s LEU 71 N 0.16 4.68 -0.30 4.42 1.43 -0.40 -3.53 118.68 125.15 3bsq s LEU 71 Ca -0.09 -0.65 -0.14 0.00 -1.03 0.00 0.00 54.13 52.22 3bsq s LEU 71 Cb -0.15 -2.59 0.17 0.00 0.03 0.00 0.00 46.19 43.65 3bsq s LEU 71 CO 0.05 -0.92 1.00 -0.83 0.23 0.00 0.00 176.35 175.88 3bsq s GLY 72 N 2.52 -0.24 -0.01 -3.19 0.00 -1.26 -4.81 107.32 100.33 3bsq s GLY 72 Ca 0.20 2.96 -0.19 0.00 0.00 0.00 0.00 44.72 47.69 3bsq s GLY 72 CO 0.15 3.37 0.54 0.51 0.00 0.00 0.00 173.10 177.67 3bsq s ASP 73 N 2.55 6.92 0.08 1.64 1.47 -1.23 -4.84 116.67 123.26 3bsq s ASP 73 Ca -0.01 1.10 -0.03 0.00 1.18 0.00 0.00 52.55 54.79 3bsq s ASP 73 Cb -0.07 -2.33 0.13 0.00 -0.34 0.00 0.00 42.92 40.30 3bsq s ASP 73 CO -0.16 0.15 0.45 0.54 0.68 0.00 0.00 175.17 176.83 3bsq n ARG 74 N 2.54 -0.03 -4.89 2.11 3.00 -1.26 -3.11 116.66 115.02 3bsq n ARG 74 Ca -0.09 0.45 -0.33 0.00 -0.01 0.00 0.00 57.85 57.88 3bsq n ARG 74 Cb 0.51 -0.68 -0.14 0.00 0.00 0.00 0.00 32.46 32.15 3bsq n ARG 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3bsq s ARG 75 N -5.36 2.97 0.00 5.56 3.52 -1.26 -4.92 118.95 119.46 3bsq s ARG 75 Ca -0.04 -0.72 0.00 0.00 -0.13 0.00 0.00 55.73 54.84 3bsq s ARG 75 Cb 0.08 -2.48 0.00 0.00 -1.56 0.00 0.00 34.95 30.99 3bsq s ARG 75 CO 0.22 0.38 0.00 0.00 -0.81 0.00 0.00 175.30 175.09 3bsq n ALA 76 N 3.02 0.00 -2.58 6.12 0.00 -1.18 -4.89 120.51 121.00 3bsq n ALA 76 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.93 3bsq n ALA 76 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.86 3bsq n ALA 76 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3bsq s GLN 77 N 3.79 2.67 -0.03 0.00 -0.21 1.82 -3.60 119.66 124.11 3bsq s GLN 77 Ca 0.00 -0.60 -0.08 0.00 0.02 0.00 0.00 55.36 54.70 3bsq s GLN 77 Cb 0.00 -2.55 -0.05 0.00 1.00 0.00 0.00 33.01 31.42 3bsq s GLN 77 CO 0.00 0.65 0.25 1.03 -2.12 0.00 0.00 175.29 175.09 3bsq s ARG 78 N -0.95 3.58 -0.03 2.91 3.00 -1.26 -2.51 118.95 123.69 3bsq s ARG 78 Ca 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 55.73 55.81 3bsq s ARG 78 Cb -0.11 -3.13 0.02 0.00 0.00 0.00 0.00 34.95 31.73 3bsq s ARG 78 CO 0.03 0.69 0.06 0.42 0.00 0.00 0.00 175.30 176.50 3bsq s ILE 79 N -1.20 -0.02 0.34 1.52 1.01 0.14 -4.96 121.20 118.02 3bsq s ILE 79 Ca 0.24 0.09 -0.16 0.00 0.00 0.00 0.00 60.65 60.81 3bsq s ILE 79 Cb -0.13 -0.11 -0.09 0.00 0.01 0.00 0.00 42.46 42.13 3bsq s ILE 79 CO 0.13 0.04 0.78 -0.75 0.00 0.00 0.00 174.94 175.13 3bsq s LYS 80 N 0.50 4.06 0.00 2.79 2.20 -1.26 0.45 119.74 128.48 3bsq s LYS 80 Ca -0.04 0.76 0.00 0.00 -0.36 0.00 0.00 55.97 56.33 3bsq s LYS 80 Cb -0.06 -2.41 0.00 0.00 -1.51 0.00 0.00 37.83 33.86 3bsq s LYS 80 CO -0.02 0.13 0.00 0.00 -0.36 0.00 0.00 175.35 175.11 3bsq n ALA 81 N -0.36 0.86 0.00 3.13 0.00 -0.79 -1.21 120.51 122.14 3bsq n ALA 81 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3bsq n ALA 81 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3bsq n ALA 81 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3bsq n SER 82 N -2.21 0.00 -4.34 0.00 7.64 -1.26 -3.83 113.62 109.62 3bsq n SER 82 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 3bsq n SER 82 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 3bsq n SER 82 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3bsq s LYS 83 N 0.00 2.63 -0.13 1.43 2.47 -1.26 -4.78 119.74 120.10 3bsq s LYS 83 Ca 0.00 -0.82 -0.26 0.00 -1.56 0.00 0.00 55.97 53.32 3bsq s LYS 83 Cb 0.00 -2.27 0.06 0.00 -1.46 0.00 0.00 37.83 34.16 3bsq s LYS 83 CO 0.00 0.43 0.64 -1.54 0.16 0.00 0.00 175.35 175.04 3bsq s SER 84 N -0.26 -0.63 -0.15 1.43 1.04 -1.26 -1.59 113.70 112.28 3bsq s SER 84 Ca 0.00 0.92 -0.01 0.00 0.48 0.00 0.00 55.95 57.34 3bsq s SER 84 Cb -0.13 0.86 0.04 0.00 0.10 0.00 0.00 66.02 66.89 3bsq s SER 84 CO 0.03 -0.44 -0.04 -0.36 0.98 0.00 0.00 173.24 173.41 3bsq s PHE 85 N -0.56 1.51 0.09 5.02 0.08 0.61 -4.99 117.98 119.75 3bsq s PHE 85 Ca -0.07 -0.92 -0.19 0.00 0.12 0.00 0.00 56.93 55.87 3bsq s PHE 85 Cb -0.02 -1.23 -0.07 0.00 -0.57 0.00 0.00 43.02 41.13 3bsq s PHE 85 CO 0.06 -0.57 0.59 0.50 -0.10 0.00 0.00 175.22 175.70 3bsq s ARG 86 N 1.70 4.22 0.10 0.44 3.52 -1.26 -0.96 118.95 126.70 3bsq s ARG 86 Ca 0.02 0.76 -0.33 0.00 -0.13 0.00 0.00 55.73 56.05 3bsq s ARG 86 Cb -0.15 -3.20 -0.12 0.00 -1.56 0.00 0.00 34.95 29.92 3bsq s ARG 86 CO -0.08 0.61 1.77 1.58 -0.81 0.00 0.00 175.30 178.37 3bsq n HIS 87 N 1.59 2.47 -0.14 5.12 -0.00 -0.91 -4.83 115.22 118.53 3bsq n HIS 87 Ca -0.09 0.01 0.28 0.00 -0.00 0.00 0.00 57.72 57.92 3bsq n HIS 87 Cb 0.51 -2.66 0.64 0.00 -0.00 0.00 0.00 29.99 28.48 3bsq n HIS 87 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3bsq h PRO 88 N 7.83 0.00 -0.69 1.57 0.11 -1.92 -0.35 132.00 138.55 3bsq h PRO 88 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3bsq h PRO 88 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3bsq h PRO 88 CO 0.93 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.13 3bsq n GLY 89 N -1.65 2.63 3.74 -0.55 0.00 -1.26 -4.98 105.19 103.12 3bsq n GLY 89 Ca 0.19 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 3bsq n GLY 89 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3bsq s TYR 90 N -1.32 3.32 0.00 1.61 5.04 -0.14 -4.54 117.35 121.32 3bsq s TYR 90 Ca 0.49 1.35 0.00 0.00 -2.44 0.00 0.00 57.07 56.47 3bsq s TYR 90 Cb 0.28 -3.52 0.00 0.00 0.35 0.00 0.00 41.96 39.06 3bsq s TYR 90 CO 0.29 -1.53 0.00 0.45 -1.34 0.00 0.00 175.55 173.42 3bsq n SER 91 N 2.29 0.00 0.00 4.32 2.88 -1.15 -4.99 113.62 116.97 3bsq n SER 91 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 3bsq n SER 91 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 3bsq n SER 91 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3bsq n THR 92 N 0.00 0.00 0.09 2.46 -1.04 -1.26 -4.94 114.28 109.58 3bsq n THR 92 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 3bsq n THR 92 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 3bsq n THR 92 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 3bsq h GLN 93 N 0.00 -0.22 -7.34 -2.82 1.08 -2.01 -3.43 115.11 100.38 3bsq h GLN 93 Ca 0.00 0.02 -0.47 0.00 -1.45 0.00 0.00 58.65 56.75 3bsq h GLN 93 Cb 0.00 0.05 0.08 0.00 -0.05 0.00 0.00 27.48 27.56 3bsq h GLN 93 CO 0.00 -0.15 0.27 0.95 -0.95 0.00 0.00 178.83 178.95 3bsq s THR 94 N -2.89 2.68 -0.53 -0.54 -4.23 -1.26 -5.00 115.64 103.86 3bsq s THR 94 Ca -0.03 -0.07 0.02 0.00 -1.18 0.00 0.00 61.69 60.43 3bsq s THR 94 Cb 0.00 -3.16 0.43 0.00 1.34 0.00 0.00 72.50 71.11 3bsq s THR 94 CO 0.10 -0.18 1.58 1.41 -0.54 0.00 0.00 174.62 176.99 3bsq n HIS 95 N -2.93 3.07 -2.04 3.99 8.25 -1.26 -4.20 115.22 120.09 3bsq n HIS 95 Ca 0.07 -2.66 -0.41 0.00 -0.26 0.00 0.00 57.72 54.47 3bsq n HIS 95 Cb 0.59 -0.78 -0.02 0.00 1.12 0.00 0.00 29.99 30.91 3bsq n HIS 95 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3bsq s VAL 96 N -4.93 2.56 -1.36 1.59 1.01 -1.26 -3.28 120.40 114.72 3bsq s VAL 96 Ca 0.55 0.56 -0.00 0.00 0.00 0.00 0.00 61.98 63.08 3bsq s VAL 96 Cb 0.44 -3.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.47 3bsq s VAL 96 CO -0.10 0.13 0.52 0.59 0.00 0.00 0.00 175.10 176.25 3bsq n ASN 97 N 0.73 -0.70 -4.37 3.32 3.02 -1.26 -2.94 115.26 113.05 3bsq n ASN 97 Ca 0.00 -0.94 -0.43 0.00 -0.03 0.00 0.00 54.58 53.18 3bsq n ASN 97 Cb 0.41 -3.43 0.00 0.00 -0.61 0.00 0.00 39.78 36.15 3bsq n ASN 97 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3bsq n ASP 98 N -3.01 5.03 -3.73 6.41 2.03 -1.21 -4.15 116.55 117.93 3bsq n ASP 98 Ca -0.30 -2.97 -0.13 0.00 0.52 0.00 0.00 54.79 51.91 3bsq n ASP 98 Cb 0.68 -1.62 -0.07 0.00 -0.72 0.00 0.00 41.12 39.39 3bsq n ASP 98 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 3bsq s LEU 99 N 2.18 0.70 -0.04 -2.67 2.34 -1.26 -3.79 118.68 116.15 3bsq s LEU 99 Ca 0.46 -0.02 -0.13 0.00 0.06 0.00 0.00 54.13 54.50 3bsq s LEU 99 Cb 0.02 1.46 0.02 0.00 -0.56 0.00 0.00 46.19 47.13 3bsq s LEU 99 CO 0.02 -0.57 0.30 -0.32 -1.06 0.00 0.00 176.35 174.72 3bsq s MET 100 N -2.07 0.58 -0.05 1.48 -2.45 0.19 -2.14 119.30 114.85 3bsq s MET 100 Ca -0.08 -0.05 -0.00 0.00 -1.25 0.00 0.00 55.69 54.31 3bsq s MET 100 Cb -0.02 0.26 -0.03 0.00 1.25 0.00 0.00 34.83 36.29 3bsq s MET 100 CO -0.00 -0.14 0.00 -0.51 1.05 0.00 0.00 175.02 175.42 3bsq s LEU 101 N -0.96 3.56 -0.20 4.11 1.43 -0.14 -1.56 118.68 124.93 3bsq s LEU 101 Ca -0.10 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 3bsq s LEU 101 Cb -0.05 -1.92 0.04 0.00 0.03 0.00 0.00 46.19 44.30 3bsq s LEU 101 CO 0.03 0.33 -0.10 -0.69 0.23 0.00 0.00 176.35 176.16 3bsq s VAL 102 N -0.98 1.64 -0.16 -1.59 1.01 2.01 -0.28 120.40 122.06 3bsq s VAL 102 Ca 0.16 -1.04 -0.27 0.00 0.00 0.00 0.00 61.98 60.84 3bsq s VAL 102 Cb -0.11 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 3bsq s VAL 102 CO 0.06 0.15 0.91 -0.75 0.00 0.00 0.00 175.10 175.46 3bsq s LYS 103 N 1.39 4.33 0.22 2.72 2.20 -0.62 -1.84 119.74 128.14 3bsq s LYS 103 Ca -0.02 1.17 -0.28 0.00 -0.36 0.00 0.00 55.97 56.48 3bsq s LYS 103 Cb -0.16 -3.57 -0.09 0.00 -1.51 0.00 0.00 37.83 32.50 3bsq s LYS 103 CO -0.08 -0.36 0.88 -0.51 -0.36 0.00 0.00 175.35 174.92 3bsq s LEU 104 N 2.22 4.60 0.08 5.43 1.43 0.03 -4.13 118.68 128.34 3bsq s LEU 104 Ca 0.42 1.82 -0.24 0.00 -1.03 0.00 0.00 54.13 55.10 3bsq s LEU 104 Cb -0.17 -3.53 -0.16 0.00 0.03 0.00 0.00 46.19 42.36 3bsq s LEU 104 CO 0.13 0.16 1.67 0.78 0.23 0.00 0.00 176.35 179.32 3bsq h ASN 105 N 4.12 -0.09 -2.03 2.29 2.35 -1.26 -3.44 115.58 117.52 3bsq h ASN 105 Ca -0.46 -0.05 -0.57 0.00 -0.55 0.00 0.00 56.30 54.68 3bsq h ASN 105 Cb 1.20 0.02 -0.10 0.00 0.05 0.00 0.00 38.32 39.50 3bsq h ASN 105 CO 0.67 -0.01 -0.61 -0.94 -1.65 0.00 0.00 177.43 174.88 3bsq s SER 106 N -5.15 4.41 0.70 5.81 1.04 -1.26 -5.10 113.70 114.14 3bsq s SER 106 Ca -0.14 -0.81 -0.15 0.00 0.48 0.00 0.00 55.95 55.34 3bsq s SER 106 Cb 0.05 -0.68 0.02 0.00 0.10 0.00 0.00 66.02 65.51 3bsq s SER 106 CO 0.65 -0.15 1.14 -1.10 0.98 0.00 0.00 173.24 174.76 3bsq s GLN 107 N -3.72 2.48 -0.10 4.02 -0.21 -1.26 -4.89 119.66 115.98 3bsq s GLN 107 Ca 0.34 1.51 -0.15 0.00 0.02 0.00 0.00 55.36 57.08 3bsq s GLN 107 Cb -0.03 -1.90 -0.05 0.00 1.00 0.00 0.00 33.01 32.03 3bsq s GLN 107 CO 0.20 -1.52 0.36 0.00 -2.12 0.00 0.00 175.29 172.21 3bsq s ALA 108 N -2.26 3.62 -0.38 6.09 0.00 -0.79 -5.03 121.76 123.01 3bsq s ALA 108 Ca 0.69 -0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.03 3bsq s ALA 108 Cb -0.23 -2.42 -0.00 0.00 0.00 0.00 0.00 23.12 20.47 3bsq s ALA 108 CO 0.44 0.23 1.60 1.03 0.00 0.00 0.00 175.76 179.06 3bsq s ARG 109 N -0.08 3.44 0.38 0.00 1.81 -1.26 -4.82 118.95 118.42 3bsq s ARG 109 Ca 0.21 1.14 -0.27 0.00 -1.72 0.00 0.00 55.73 55.09 3bsq s ARG 109 Cb -0.15 -4.11 -0.09 0.00 -0.45 0.00 0.00 34.95 30.15 3bsq s ARG 109 CO 0.08 -1.73 1.25 -0.51 -0.68 0.00 0.00 175.30 173.71 3bsq s LEU 110 N 6.17 4.28 0.00 2.53 1.43 -1.26 -4.76 118.68 127.06 3bsq s LEU 110 Ca 0.70 2.54 0.00 0.00 -1.03 0.00 0.00 54.13 56.34 3bsq s LEU 110 Cb -0.18 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 42.18 3bsq s LEU 110 CO 0.33 -0.68 0.00 -1.54 0.23 0.00 0.00 176.35 174.69 3bsq n SER 111 N 0.32 0.00 0.04 2.29 3.41 -0.30 -4.91 113.62 114.48 3bsq n SER 111 Ca 0.03 -0.37 0.13 0.00 -0.26 0.00 0.00 58.87 58.40 3bsq n SER 111 Cb 0.44 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 64.89 3bsq n SER 111 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3bsq n SER 112 N -0.64 0.31 -0.11 4.04 3.41 -1.26 -2.86 113.62 116.51 3bsq n SER 112 Ca 0.00 0.54 0.07 0.00 -0.26 0.00 0.00 58.87 59.22 3bsq n SER 112 Cb 0.00 -0.62 -0.06 0.00 -0.26 0.00 0.00 64.21 63.27 3bsq n SER 112 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3bsq n MET 113 N -1.80 1.84 -3.90 4.33 2.81 -1.26 -4.92 117.12 114.23 3bsq n MET 113 Ca 0.06 -0.24 -0.24 0.00 -1.81 0.00 0.00 57.70 55.47 3bsq n MET 113 Cb 0.33 -1.24 -0.17 0.00 -0.71 0.00 0.00 33.22 31.43 3bsq n MET 113 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3bsq s VAL 114 N -2.29 0.61 0.08 2.03 1.01 -1.14 -4.53 120.40 116.17 3bsq s VAL 114 Ca 0.08 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 3bsq s VAL 114 Cb 0.12 -0.70 -0.00 0.00 0.00 0.00 0.00 36.38 35.80 3bsq s VAL 114 CO 0.57 0.29 0.18 -0.54 0.00 0.00 0.00 175.10 175.59 3bsq s LYS 115 N 1.69 0.82 0.37 2.72 1.02 -0.50 -1.15 119.74 124.70 3bsq s LYS 115 Ca 0.02 -0.94 -0.26 0.00 0.02 0.00 0.00 55.97 54.81 3bsq s LYS 115 Cb -0.13 0.33 -0.09 0.00 -0.52 0.00 0.00 37.83 37.42 3bsq s LYS 115 CO -0.05 -0.25 1.15 0.15 -0.92 0.00 0.00 175.35 175.42 3bsq s LYS 116 N -3.73 4.21 0.58 1.68 1.02 -1.26 -3.78 119.74 118.45 3bsq s LYS 116 Ca 0.04 1.81 -0.16 0.00 0.02 0.00 0.00 55.97 57.68 3bsq s LYS 116 Cb 0.04 -2.78 -0.04 0.00 -0.52 0.00 0.00 37.83 34.53 3bsq s LYS 116 CO -0.10 -0.18 1.05 0.14 -0.92 0.00 0.00 175.35 175.34 3bsq s VAL 117 N -1.38 3.91 -0.39 3.17 -7.23 -0.44 -4.87 120.40 113.17 3bsq s VAL 117 Ca 0.54 0.92 -0.20 0.00 -1.81 0.00 0.00 61.98 61.43 3bsq s VAL 117 Cb -0.30 -3.43 0.01 0.00 0.56 0.00 0.00 36.38 33.21 3bsq s VAL 117 CO 0.38 -0.52 0.64 -0.60 -0.31 0.00 0.00 175.10 174.69 3bsq s ARG 118 N -4.03 3.54 0.48 4.82 3.52 -1.26 -4.91 118.95 121.11 3bsq s ARG 118 Ca 0.63 -0.11 -0.21 0.00 -0.13 0.00 0.00 55.73 55.92 3bsq s ARG 118 Cb -0.15 -3.86 -0.08 0.00 -1.56 0.00 0.00 34.95 29.30 3bsq s ARG 118 CO 0.35 -0.83 1.05 -0.51 -0.81 0.00 0.00 175.30 174.55 3bsq s LEU 119 N 2.75 3.87 0.49 -0.88 1.43 -1.26 -1.54 118.68 123.54 3bsq s LEU 119 Ca 0.24 1.98 -0.17 0.00 -1.03 0.00 0.00 54.13 55.15 3bsq s LEU 119 Cb -0.14 -4.52 -0.08 0.00 0.03 0.00 0.00 46.19 41.48 3bsq s LEU 119 CO 0.16 -0.81 0.96 -2.16 0.23 0.00 0.00 176.35 174.73 3bsq s PRO 120 N -3.15 3.98 -0.18 1.29 0.04 -1.26 -4.78 135.00 130.94 3bsq s PRO 120 Ca 0.67 0.94 0.14 0.00 0.04 0.00 0.00 61.00 62.79 3bsq s PRO 120 Cb -0.18 -2.16 -0.21 0.00 0.04 0.00 0.00 34.50 31.99 3bsq s PRO 120 CO 0.22 -0.21 0.04 0.43 0.04 0.00 0.00 177.00 177.51 3bsq n SER 121 N -1.41 0.85 -4.26 6.66 7.64 -1.26 -4.91 113.62 116.94 3bsq n SER 121 Ca 0.06 -0.01 -0.27 0.00 1.01 0.00 0.00 58.87 59.66 3bsq n SER 121 Cb 0.54 0.82 -0.15 0.00 -1.01 0.00 0.00 64.21 64.41 3bsq n SER 121 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3bsq s ARG 122 N -2.42 1.56 -0.57 1.43 6.06 -1.26 -5.10 118.95 118.65 3bsq s ARG 122 Ca -0.10 -0.91 -0.28 0.00 -2.50 0.00 0.00 55.73 51.94 3bsq s ARG 122 Cb 0.05 -1.63 0.03 0.00 0.06 0.00 0.00 34.95 33.46 3bsq s ARG 122 CO 0.69 0.43 1.22 0.00 -2.50 0.00 0.00 175.30 175.14 3bsq n GLU 124 N 8.42 1.47 -1.69 0.00 4.07 -1.26 -4.96 120.64 126.70 3bsq n GLU 124 Ca 0.09 0.53 -0.30 0.00 -0.06 0.00 0.00 57.16 57.42 3bsq n GLU 124 Cb 0.49 -2.15 0.06 0.00 -0.06 0.00 0.00 31.44 29.78 3bsq n GLU 124 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3bsq s PRO 125 N 0.12 2.75 0.63 5.31 0.04 -1.26 -4.99 135.00 137.60 3bsq s PRO 125 Ca 0.77 0.71 -0.18 0.00 0.04 0.00 0.00 61.00 62.33 3bsq s PRO 125 Cb -0.82 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 3bsq s PRO 125 CO 0.48 -1.17 1.12 -2.30 0.04 0.00 0.00 177.00 175.17 3bsq n PRO 126 N -3.14 0.99 0.00 0.56 -0.02 -1.26 -2.96 135.00 129.18 3bsq n PRO 126 Ca 0.07 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3bsq n PRO 126 Cb 0.55 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3bsq n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bsq n GLY 127 N 1.12 3.11 3.74 -1.23 0.00 0.19 -4.95 105.19 107.17 3bsq n GLY 127 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3bsq n GLY 127 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3bsq s THR 128 N -2.36 3.17 0.26 2.61 -1.32 -1.15 -4.60 115.64 112.25 3bsq s THR 128 Ca 0.00 0.99 -0.29 0.00 -1.21 0.00 0.00 61.69 61.17 3bsq s THR 128 Cb 0.00 -3.63 -0.09 0.00 -1.51 0.00 0.00 72.50 67.27 3bsq s THR 128 CO 0.00 0.16 1.24 -0.89 -2.21 0.00 0.00 174.62 172.92 3bsq s THR 129 N -0.05 3.14 0.23 5.08 2.01 -1.26 -1.97 115.64 122.83 3bsq s THR 129 Ca 0.56 1.06 0.00 0.00 0.31 0.00 0.00 61.69 63.62 3bsq s THR 129 Cb -0.37 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 3bsq s THR 129 CO 0.40 0.22 0.14 0.00 -0.69 0.00 0.00 174.62 174.68 3bsq s THR 131 N -4.01 1.24 0.05 0.00 2.01 -0.27 -0.84 115.64 113.82 3bsq s THR 131 Ca 0.39 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.94 3bsq s THR 131 Cb 0.07 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 3bsq s THR 131 CO 0.14 0.39 0.00 0.54 -0.69 0.00 0.00 174.62 175.00 3bsq s VAL 132 N 1.08 4.09 0.05 3.82 0.11 -0.64 -2.79 120.40 126.12 3bsq s VAL 132 Ca -0.06 -0.82 -0.09 0.00 -2.93 0.00 0.00 61.98 58.08 3bsq s VAL 132 Cb -0.15 -2.90 0.00 0.00 -1.53 0.00 0.00 36.38 31.81 3bsq s VAL 132 CO -0.02 0.23 0.18 -0.94 -3.33 0.00 0.00 175.10 171.22 3bsq s SER 133 N -2.00 0.07 0.00 3.54 1.04 -1.19 -1.94 113.70 113.22 3bsq s SER 133 Ca 0.23 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.21 3bsq s SER 133 Cb -0.12 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.30 3bsq s SER 133 CO 0.15 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.39 3bsq n GLY 134 N 0.51 -2.17 0.75 7.32 0.00 -0.68 -4.33 105.19 106.58 3bsq n GLY 134 Ca -0.18 -1.20 0.08 0.00 0.00 0.00 0.00 46.02 44.73 3bsq n GLY 134 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3bsq n TRP 135 N -0.16 0.76 -1.42 1.61 8.01 -1.26 -0.62 117.44 124.35 3bsq n TRP 135 Ca 0.00 -0.95 -0.29 0.00 -1.31 0.00 0.00 57.50 54.95 3bsq n TRP 135 Cb 0.00 -0.29 0.16 0.00 -2.01 0.00 0.00 31.31 29.16 3bsq n TRP 135 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3bsq s GLY 136 N -2.17 1.58 0.53 6.99 0.00 -1.26 -4.34 107.32 108.65 3bsq s GLY 136 Ca 0.40 -0.56 -0.20 0.00 0.00 0.00 0.00 44.72 44.37 3bsq s GLY 136 CO 0.07 0.05 0.65 -0.37 0.00 0.00 0.00 173.10 173.50 3bsq n THR 137 N -3.96 2.41 0.77 0.90 5.66 -0.63 -3.21 114.28 116.22 3bsq n THR 137 Ca 0.07 -0.50 0.08 0.00 -3.05 0.00 0.00 64.05 60.65 3bsq n THR 137 Cb 0.59 -0.78 -0.01 0.00 -1.55 0.00 0.00 70.33 68.58 3bsq n THR 137 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3bsq n THR 138 N -1.42 0.00 -4.10 1.09 -2.24 -0.60 -1.80 114.28 105.22 3bsq n THR 138 Ca 0.12 -0.30 -0.09 0.00 -2.27 0.00 0.00 64.05 61.50 3bsq n THR 138 Cb 0.45 1.18 -0.10 0.00 -2.10 0.00 0.00 70.33 69.76 3bsq n THR 138 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3bsq s THR 139 N -2.05 0.42 -0.20 4.28 -4.23 -1.26 -4.44 115.64 108.16 3bsq s THR 139 Ca 0.13 -1.65 -0.17 0.00 -1.18 0.00 0.00 61.69 58.83 3bsq s THR 139 Cb 0.14 -1.30 0.05 0.00 1.34 0.00 0.00 72.50 72.73 3bsq s THR 139 CO 0.46 -0.81 0.52 -0.55 -0.54 0.00 0.00 174.62 173.70 3bsq s SER 140 N -2.60 -0.56 0.00 3.99 0.15 -1.26 -4.13 113.70 109.29 3bsq s SER 140 Ca 0.04 1.06 0.31 0.00 0.70 0.00 0.00 55.95 58.05 3bsq s SER 140 Cb 0.02 1.06 1.64 0.00 -1.71 0.00 0.00 66.02 67.03 3bsq s SER 140 CO -0.06 -0.18 2.10 -0.81 1.20 0.00 0.00 173.24 175.49 3bsq n PRO 141 N 2.96 0.62 -2.53 5.44 -0.04 -1.26 -4.75 135.00 135.44 3bsq n PRO 141 Ca -0.14 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.89 3bsq n PRO 141 Cb 0.56 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 3bsq n PRO 141 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3bsq s ASP 142 N -2.38 6.46 0.25 3.54 3.68 -1.26 -5.00 116.67 121.97 3bsq s ASP 142 Ca 0.35 0.35 -0.31 0.00 2.13 0.00 0.00 52.55 55.08 3bsq s ASP 142 Cb 0.21 -2.55 -0.11 0.00 -1.45 0.00 0.00 42.92 39.02 3bsq s ASP 142 CO 0.43 -1.42 1.61 0.54 0.13 0.00 0.00 175.17 176.45 3bsq s VAL 143 N 4.98 2.20 -0.23 1.11 0.11 -1.26 -4.08 120.40 123.22 3bsq s VAL 143 Ca 0.48 0.16 -0.03 0.00 -2.93 0.00 0.00 61.98 59.66 3bsq s VAL 143 Cb -0.08 -3.10 0.12 0.00 -1.53 0.00 0.00 36.38 31.79 3bsq s VAL 143 CO 0.29 0.02 0.34 -0.89 -3.33 0.00 0.00 175.10 171.53 3bsq s THR 144 N 0.44 -0.54 -0.24 5.04 2.01 -1.26 -4.95 115.64 116.14 3bsq s THR 144 Ca 0.67 -0.05 -0.18 0.00 0.31 0.00 0.00 61.69 62.44 3bsq s THR 144 Cb -0.47 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 3bsq s THR 144 CO 0.41 -0.12 0.49 -0.36 -0.69 0.00 0.00 174.62 174.35 3bsq s PHE 145 N 2.50 3.30 0.50 4.92 0.40 -1.26 -1.55 117.98 126.79 3bsq s PHE 145 Ca 0.10 0.65 -0.17 0.00 -0.60 0.00 0.00 56.93 56.91 3bsq s PHE 145 Cb -0.15 -2.68 -0.08 0.00 0.51 0.00 0.00 43.02 40.62 3bsq s PHE 145 CO -0.15 -0.21 0.98 -1.25 0.70 0.00 0.00 175.22 175.30 3bsq s PRO 146 N 2.04 3.96 0.06 0.24 0.04 -1.26 -4.98 135.00 135.09 3bsq s PRO 146 Ca 0.21 1.02 0.17 0.00 0.04 0.00 0.00 61.00 62.44 3bsq s PRO 146 Cb -0.15 -2.14 -0.14 0.00 0.04 0.00 0.00 34.50 32.11 3bsq s PRO 146 CO 0.09 -0.26 0.82 0.43 0.04 0.00 0.00 177.00 178.11 3bsq n SER 147 N -1.40 0.86 -4.84 6.66 7.64 -1.26 -4.89 113.62 116.38 3bsq n SER 147 Ca 0.07 0.38 -0.38 0.00 1.01 0.00 0.00 58.87 59.95 3bsq n SER 147 Cb 0.54 0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 63.84 3bsq n SER 147 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3bsq s ASP 148 N -5.78 6.76 0.22 6.43 1.01 -1.26 -1.27 116.67 122.78 3bsq s ASP 148 Ca -0.03 0.90 -0.32 0.00 0.71 0.00 0.00 52.55 53.81 3bsq s ASP 148 Cb 0.09 -2.23 -0.13 0.00 1.01 0.00 0.00 42.92 41.66 3bsq s ASP 148 CO 0.81 0.34 1.58 -0.11 0.21 0.00 0.00 175.17 178.00 3bsq n LEU 149 N 1.83 3.62 -4.67 1.23 7.94 0.28 -4.83 117.00 122.40 3bsq n LEU 149 Ca -0.15 1.11 -0.23 0.00 -1.11 0.00 0.00 56.01 55.63 3bsq n LEU 149 Cb 0.53 -1.50 -0.07 0.00 0.53 0.00 0.00 43.42 42.90 3bsq n LEU 149 CO 0.37 -0.11 -0.29 -0.32 -1.11 0.00 0.00 177.39 175.92 3bsq s MET 150 N 0.35 2.33 -0.14 1.96 1.75 0.21 -1.87 119.30 123.88 3bsq s MET 150 Ca 0.72 -1.44 -0.13 0.00 -1.25 0.00 0.00 55.69 53.59 3bsq s MET 150 Cb -0.59 -2.17 0.04 0.00 2.84 0.00 0.00 34.83 34.95 3bsq s MET 150 CO 0.42 0.31 0.38 0.00 -0.65 0.00 0.00 175.02 175.47 3bsq s VAL 152 N 0.21 0.04 0.03 0.00 0.11 -0.82 0.63 120.40 120.60 3bsq s VAL 152 Ca -0.00 -0.36 -0.01 0.00 -2.93 0.00 0.00 61.98 58.68 3bsq s VAL 152 Cb -0.03 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 3bsq s VAL 152 CO 0.00 -0.20 0.19 -1.81 -3.33 0.00 0.00 175.10 169.96 3bsq s ASP 153 N -1.06 6.32 -0.05 3.54 1.11 -1.26 -1.63 116.67 123.64 3bsq s ASP 153 Ca -0.11 0.29 -0.28 0.00 0.18 0.00 0.00 52.55 52.63 3bsq s ASP 153 Cb -0.04 -1.96 0.06 0.00 1.07 0.00 0.00 42.92 42.05 3bsq s ASP 153 CO 0.04 0.21 0.63 0.54 1.18 0.00 0.00 175.17 177.77 3bsq s VAL 154 N -1.42 0.01 -0.03 -1.27 0.11 -0.02 -4.90 120.40 112.88 3bsq s VAL 154 Ca 0.31 -0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.30 3bsq s VAL 154 Cb -0.13 -0.94 -0.03 0.00 -1.53 0.00 0.00 36.38 33.75 3bsq s VAL 154 CO 0.24 -0.04 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.42 3bsq s LYS 155 N -1.17 2.82 0.22 1.54 -0.14 0.16 0.16 119.74 123.33 3bsq s LYS 155 Ca -0.11 -0.56 -0.30 0.00 -1.36 0.00 0.00 55.97 53.64 3bsq s LYS 155 Cb -0.01 -2.69 -0.09 0.00 -1.68 0.00 0.00 37.83 33.36 3bsq s LYS 155 CO 0.09 0.65 1.31 -0.51 -0.76 0.00 0.00 175.35 176.13 3bsq s LEU 156 N -1.31 4.42 -0.12 3.17 1.43 -0.83 -0.61 118.68 124.84 3bsq s LEU 156 Ca 0.17 2.44 0.03 0.00 -1.03 0.00 0.00 54.13 55.74 3bsq s LEU 156 Cb -0.11 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.49 3bsq s LEU 156 CO 0.07 -0.52 -0.21 -0.63 0.23 0.00 0.00 176.35 175.29 3bsq s ILE 157 N -0.10 2.33 0.47 -0.59 1.01 -0.61 0.57 121.20 124.27 3bsq s ILE 157 Ca 0.55 -0.92 -0.24 0.00 0.00 0.00 0.00 60.65 60.05 3bsq s ILE 157 Cb -0.37 -1.92 -0.08 0.00 0.01 0.00 0.00 42.46 40.10 3bsq s ILE 157 CO 0.40 0.55 1.27 -1.54 0.00 0.00 0.00 174.94 175.62 3bsq n SER 158 N 3.64 2.46 -0.30 3.58 3.41 -1.26 -4.31 113.62 120.86 3bsq n SER 158 Ca -0.19 1.05 0.09 0.00 -0.26 0.00 0.00 58.87 59.57 3bsq n SER 158 Cb 0.53 -1.51 0.25 0.00 -0.26 0.00 0.00 64.21 63.22 3bsq n SER 158 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3bsq h PRO 159 N 1.82 0.50 -0.42 4.33 0.11 -1.97 0.13 132.00 136.50 3bsq h PRO 159 Ca -0.49 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 3bsq h PRO 159 Cb 1.30 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3bsq h PRO 159 CO 0.59 0.33 0.06 0.37 -0.21 0.00 0.00 178.00 179.13 3bsq h GLN 160 N 0.52 0.65 0.09 1.05 4.15 -1.99 0.55 115.11 120.14 3bsq h GLN 160 Ca 0.50 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.78 3bsq h GLN 160 Cb 0.81 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.41 3bsq h GLN 160 CO -0.43 0.63 -0.04 -0.44 -1.93 0.00 0.00 178.83 176.61 3bsq h ASP 161 N 0.63 -0.10 -0.90 -0.69 3.32 -1.49 -3.31 116.42 113.87 3bsq h ASP 161 Ca 0.14 -0.48 0.09 0.00 0.02 0.00 0.00 57.03 56.79 3bsq h ASP 161 Cb 0.31 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.81 3bsq h ASP 161 CO 0.00 0.50 0.55 0.00 -1.72 0.00 0.00 179.24 178.58 3bsq h THR 163 N 0.94 0.79 -0.57 0.00 1.03 -0.00 0.87 112.91 115.97 3bsq h THR 163 Ca 0.42 0.00 0.16 0.00 -0.01 0.00 0.00 66.41 66.98 3bsq h THR 163 Cb 0.32 0.79 -0.02 0.00 -1.07 0.00 0.00 68.15 68.17 3bsq h THR 163 CO -0.22 0.00 0.41 0.11 -0.01 0.00 0.00 175.52 175.80 3bsq h LYS 164 N 0.00 0.04 0.01 0.00 1.57 -1.35 -2.70 116.57 114.14 3bsq h LYS 164 Ca 0.20 -0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.65 3bsq h LYS 164 Cb 0.81 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.06 3bsq h LYS 164 CO -0.00 0.03 -2.04 0.28 -0.57 0.00 0.00 179.45 177.15 3bsq n VAL 165 N -4.38 1.53 -1.70 0.50 0.31 0.29 -4.84 118.33 110.04 3bsq n VAL 165 Ca 0.11 -0.80 0.06 0.00 -0.01 0.00 0.00 64.34 63.69 3bsq n VAL 165 Cb 0.61 -0.88 0.11 0.00 -0.91 0.00 0.00 33.84 32.77 3bsq n VAL 165 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3bsq n TYR 166 N -2.97 0.00 0.00 3.52 4.01 -1.02 -5.05 117.16 115.65 3bsq n TYR 166 Ca -0.26 -0.84 0.00 0.00 -0.16 0.00 0.00 57.90 56.64 3bsq n TYR 166 Cb 1.09 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.96 3bsq n TYR 166 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3bsq n LYS 167 N -0.66 0.00 -0.17 -0.72 5.02 -1.24 -1.05 118.16 119.34 3bsq n LYS 167 Ca 0.12 0.06 -0.04 0.00 -2.02 0.00 0.00 58.31 56.42 3bsq n LYS 167 Cb 0.77 -0.59 -0.04 0.00 -0.02 0.00 0.00 35.03 35.15 3bsq n LYS 167 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3bsq n ASP 168 N -0.68 -0.42 0.12 4.39 8.00 -1.26 -3.36 116.55 123.34 3bsq n ASP 168 Ca 0.00 0.70 0.19 0.00 0.71 0.00 0.00 54.79 56.39 3bsq n ASP 168 Cb 0.00 -0.09 0.76 0.00 -0.02 0.00 0.00 41.12 41.77 3bsq n ASP 168 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3bsq h LEU 169 N 0.00 0.00 -9.97 0.64 3.38 -1.50 -3.42 115.31 104.44 3bsq h LEU 169 Ca 0.06 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.55 3bsq h LEU 169 Cb 0.16 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.94 3bsq h LEU 169 CO -0.37 0.00 0.43 -0.76 0.09 0.00 0.00 178.44 177.83 3bsq s LEU 170 N -7.86 4.13 0.27 1.67 1.43 -1.21 -4.83 118.68 112.28 3bsq s LEU 170 Ca -0.05 2.09 0.07 0.00 -1.03 0.00 0.00 54.13 55.21 3bsq s LEU 170 Cb 0.16 -4.18 -0.06 0.00 0.03 0.00 0.00 46.19 42.15 3bsq s LEU 170 CO 0.59 -0.56 -0.07 -1.61 0.23 0.00 0.00 176.35 174.94 3bsq s GLU 171 N -2.51 1.51 0.11 1.70 0.41 -1.26 -5.04 118.70 113.62 3bsq s GLU 171 Ca 0.58 -1.75 0.13 0.00 -0.41 0.00 0.00 54.97 53.52 3bsq s GLU 171 Cb -0.23 -1.14 0.58 0.00 -1.78 0.00 0.00 34.13 31.56 3bsq s GLU 171 CO 0.29 0.06 1.39 0.27 -0.49 0.00 0.00 175.26 176.78 3bsq n ASN 172 N -0.55 0.22 -0.93 -0.19 0.23 -1.26 -1.11 115.26 111.68 3bsq n ASN 172 Ca -0.06 0.58 0.10 0.00 -0.53 0.00 0.00 54.58 54.68 3bsq n ASN 172 Cb 0.63 -0.62 0.14 0.00 -2.08 0.00 0.00 39.78 37.85 3bsq n ASN 172 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3bsq n SER 173 N -1.77 3.01 -4.92 0.53 3.41 -1.26 -4.92 113.62 107.69 3bsq n SER 173 Ca 0.01 -1.90 -0.30 0.00 -0.26 0.00 0.00 58.87 56.42 3bsq n SER 173 Cb 0.10 -0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 63.89 3bsq n SER 173 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3bsq s MET 174 N -1.53 3.50 0.03 4.33 -1.94 -0.27 -0.92 119.30 122.50 3bsq s MET 174 Ca 0.29 -0.35 0.05 0.00 -1.71 0.00 0.00 55.69 53.98 3bsq s MET 174 Cb 0.19 -2.96 -0.02 0.00 2.01 0.00 0.00 34.83 34.05 3bsq s MET 174 CO 0.27 0.54 -0.16 -1.17 -0.01 0.00 0.00 175.02 174.49 3bsq s LEU 175 N -2.71 2.13 0.05 -0.03 2.96 0.42 -4.76 118.68 116.75 3bsq s LEU 175 Ca 0.37 -0.42 0.06 0.00 -0.22 0.00 0.00 54.13 53.92 3bsq s LEU 175 Cb -0.12 -0.72 -0.03 0.00 0.50 0.00 0.00 46.19 45.81 3bsq s LEU 175 CO 0.27 0.10 -0.14 0.00 -1.32 0.00 0.00 176.35 175.26 3bsq s ALA 177 N -1.00 -0.56 0.00 0.00 0.00 -0.76 -1.58 121.76 117.86 3bsq s ALA 177 Ca 0.16 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.25 3bsq s ALA 177 Cb -0.11 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.08 3bsq s ALA 177 CO 0.07 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.02 3bsq n GLY 178 N 1.43 -1.45 2.89 0.00 0.00 0.22 -1.48 105.19 106.81 3bsq n GLY 178 Ca -0.22 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 44.60 3bsq n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bsq s ILE 179 N -2.82 0.23 0.00 -0.61 1.01 -1.26 -0.67 121.20 117.08 3bsq s ILE 179 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.57 3bsq s ILE 179 Cb 0.00 -0.23 0.00 0.00 0.01 0.00 0.00 42.46 42.24 3bsq s ILE 179 CO 0.00 0.09 0.00 -2.65 0.00 0.00 0.00 174.94 172.38 3bsq n PRO 180 N 3.32 0.00 0.00 2.79 -0.02 -1.26 0.15 135.00 139.98 3bsq n PRO 180 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3bsq n PRO 180 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 3bsq n PRO 180 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3bsq n ASP 181 N 0.00 0.00 0.00 2.55 10.43 -1.14 -4.69 116.55 123.70 3bsq n ASP 181 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3bsq n ASP 181 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3bsq n ASP 181 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3bsq n SER 182 N 0.02 0.00 -3.02 -2.24 7.64 0.40 -4.96 113.62 111.45 3bsq n SER 182 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 3bsq n SER 182 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3bsq n SER 182 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3bsq n LYS 183 N 0.00 0.88 0.00 1.43 0.00 -1.26 -4.81 118.16 114.40 3bsq n LYS 183 Ca 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 58.31 55.55 3bsq n LYS 183 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 35.03 33.64 3bsq n LYS 183 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3bsq n LYS 184 N 0.83 0.00 0.00 1.64 5.02 -1.16 -4.62 118.16 119.88 3bsq n LYS 184 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 3bsq n LYS 184 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.64 3bsq n LYS 184 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3bsq n ASN 185 N 0.00 0.00 -4.88 4.39 2.04 -1.08 -4.49 115.26 111.25 3bsq n ASN 185 Ca 0.00 0.00 -0.29 0.00 -0.44 0.00 0.00 54.58 53.85 3bsq n ASN 185 Cb 0.00 0.00 0.09 0.00 -2.53 0.00 0.00 39.78 37.34 3bsq n ASN 185 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3bsq s ALA 186 N -1.00 2.52 0.05 -2.53 0.00 -1.26 0.88 121.76 120.42 3bsq s ALA 186 Ca 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 3bsq s ALA 186 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.14 3bsq s ALA 186 CO 0.00 -1.73 0.08 0.00 0.00 0.00 0.00 175.76 174.10 3bsq n ASN 188 N -1.79 1.73 0.00 0.00 5.03 -1.26 -1.38 115.26 117.58 3bsq n ASN 188 Ca -0.00 1.13 0.00 0.00 0.87 0.00 0.00 54.58 56.58 3bsq n ASN 188 Cb 0.08 -1.24 0.00 0.00 -1.02 0.00 0.00 39.78 37.60 3bsq n ASN 188 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bsq n GLY 189 N 2.32 2.19 0.14 7.41 0.00 -1.26 -1.60 105.19 114.39 3bsq n GLY 189 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 3bsq n GLY 189 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3bsq h ASP 190 N 0.00 0.00 -0.97 1.61 3.32 -1.56 -3.27 116.42 115.54 3bsq h ASP 190 Ca 0.00 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 56.32 3bsq h ASP 190 Cb 0.00 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.62 3bsq h ASP 190 CO 0.00 0.04 -0.16 -1.20 -1.72 0.00 0.00 179.24 176.20 3bsq n SER 191 N -2.79 -0.47 0.00 6.45 7.64 -1.26 -1.00 113.62 122.20 3bsq n SER 191 Ca 0.00 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.00 3bsq n SER 191 Cb 0.57 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 3bsq n SER 191 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bsq n GLY 192 N 1.64 1.38 3.85 0.23 0.00 0.11 -0.52 105.19 111.88 3bsq n GLY 192 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3bsq n GLY 192 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bsq s GLY 193 N -1.85 1.88 0.65 -0.02 0.00 -0.17 -2.93 107.32 104.88 3bsq s GLY 193 Ca 0.00 0.08 -0.17 0.00 0.00 0.00 0.00 44.72 44.63 3bsq s GLY 193 CO 0.00 0.35 1.17 2.56 0.00 0.00 0.00 173.10 177.18 3bsq s PRO 194 N -4.58 2.72 -0.26 2.90 0.04 -1.26 -1.76 135.00 132.80 3bsq s PRO 194 Ca 0.57 1.66 -0.04 0.00 0.04 0.00 0.00 61.00 63.23 3bsq s PRO 194 Cb -0.11 -1.92 0.14 0.00 0.04 0.00 0.00 34.50 32.66 3bsq s PRO 194 CO 0.42 -1.36 0.50 -1.17 0.04 0.00 0.00 177.00 175.43 3bsq s LEU 195 N -4.58 -0.98 -0.11 -3.56 1.98 -0.90 -3.14 118.68 107.39 3bsq s LEU 195 Ca 0.73 0.81 -0.02 0.00 -2.89 0.00 0.00 54.13 52.76 3bsq s LEU 195 Cb -0.26 1.71 0.04 0.00 0.66 0.00 0.00 46.19 48.33 3bsq s LEU 195 CO 0.38 -0.26 0.00 -0.69 -1.89 0.00 0.00 176.35 173.89 3bsq s VAL 196 N 2.72 0.50 -0.05 1.68 1.01 -1.12 0.04 120.40 125.19 3bsq s VAL 196 Ca 0.10 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.00 3bsq s VAL 196 Cb -0.14 -0.74 -0.00 0.00 0.00 0.00 0.00 36.38 35.50 3bsq s VAL 196 CO -0.18 0.15 -0.18 0.00 0.00 0.00 0.00 175.10 174.89 3bsq n ARG 198 N 3.27 -0.67 0.00 0.00 1.74 -1.26 -3.36 116.66 116.38 3bsq n ARG 198 Ca -0.19 -0.22 0.00 0.00 -0.77 0.00 0.00 57.85 56.67 3bsq n ARG 198 Cb 0.53 0.10 0.00 0.00 -1.02 0.00 0.00 32.46 32.07 3bsq n ARG 198 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3bsq n GLY 199 N -0.96 1.34 3.63 -0.13 0.00 -1.26 -5.03 105.19 102.78 3bsq n GLY 199 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 3bsq n GLY 199 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3bsq s THR 200 N -0.93 0.00 -0.44 2.61 -1.32 -1.21 -4.69 115.64 109.66 3bsq s THR 200 Ca 0.00 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.25 3bsq s THR 200 Cb 0.00 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.01 3bsq s THR 200 CO 0.00 0.00 0.80 -0.22 -2.21 0.00 0.00 174.62 172.99 3bsq s LEU 201 N 0.03 4.21 -0.10 9.08 2.96 -0.59 -1.56 118.68 132.70 3bsq s LEU 201 Ca 0.04 -0.01 0.11 0.00 -0.22 0.00 0.00 54.13 54.05 3bsq s LEU 201 Cb -0.04 -2.99 -0.24 0.00 0.50 0.00 0.00 46.19 43.42 3bsq s LEU 201 CO -0.08 -0.90 0.42 0.00 -1.32 0.00 0.00 176.35 174.48 3bsq n GLN 202 N 6.71 0.66 -3.92 1.98 1.13 0.11 -4.10 117.38 119.95 3bsq n GLN 202 Ca 0.03 0.21 -0.09 0.00 -1.94 0.00 0.00 57.00 55.20 3bsq n GLN 202 Cb 0.48 -1.70 -0.07 0.00 0.11 0.00 0.00 30.24 29.07 3bsq n GLN 202 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3bsq s GLY 203 N -5.34 0.36 -0.05 1.08 0.00 -0.07 -1.34 107.32 101.95 3bsq s GLY 203 Ca -0.10 -0.77 0.06 0.00 0.00 0.00 0.00 44.72 43.92 3bsq s GLY 203 CO 0.81 -0.75 -0.24 1.08 0.00 0.00 0.00 173.10 173.99 3bsq s LEU 204 N -2.94 2.05 0.20 0.66 1.43 -0.91 -2.12 118.68 117.04 3bsq s LEU 204 Ca 0.15 -0.48 -0.31 0.00 -1.03 0.00 0.00 54.13 52.45 3bsq s LEU 204 Cb 0.03 -1.31 -0.11 0.00 0.03 0.00 0.00 46.19 44.83 3bsq s LEU 204 CO -0.01 0.24 1.58 0.54 0.23 0.00 0.00 176.35 178.93 3bsq s VAL 205 N -0.21 2.46 0.11 -1.59 0.11 -0.72 -1.88 120.40 118.68 3bsq s VAL 205 Ca -0.01 0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 3bsq s VAL 205 Cb -0.13 -3.22 0.00 0.00 -1.53 0.00 0.00 36.38 31.50 3bsq s VAL 205 CO 0.03 0.04 0.00 -0.24 -3.33 0.00 0.00 175.10 171.59 3bsq n SER 206 N 3.49 0.97 -3.67 3.54 2.88 0.10 -0.71 113.62 120.21 3bsq n SER 206 Ca 0.12 0.17 -0.08 0.00 -1.33 0.00 0.00 58.87 57.75 3bsq n SER 206 Cb 0.38 -0.26 -0.02 0.00 -0.75 0.00 0.00 64.21 63.56 3bsq n SER 206 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3bsq s TRP 207 N -2.00 -0.00 0.00 0.66 1.48 -0.70 -4.95 118.94 113.43 3bsq s TRP 207 Ca 0.00 -0.48 0.00 0.00 -1.06 0.00 0.00 56.10 54.56 3bsq s TRP 207 Cb 0.00 0.63 0.00 0.00 -1.16 0.00 0.00 33.47 32.94 3bsq s TRP 207 CO 0.00 -1.27 0.00 0.41 -4.06 0.00 0.00 176.95 172.03 3bsq n GLY 208 N -0.47 2.13 3.96 3.67 0.00 -1.26 -1.06 105.19 112.16 3bsq n GLY 208 Ca -0.04 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 3bsq n GLY 208 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bsq s THR 209 N -1.80 4.91 -0.11 2.61 -4.23 -1.26 -5.05 115.64 110.71 3bsq s THR 209 Ca 0.00 -0.74 -0.01 0.00 -1.18 0.00 0.00 61.69 59.77 3bsq s THR 209 Cb 0.00 -3.76 0.03 0.00 1.34 0.00 0.00 72.50 70.10 3bsq s THR 209 CO 0.00 -0.40 -0.06 0.12 -0.54 0.00 0.00 174.62 173.74 3bsq s PHE 210 N -2.19 1.34 0.82 3.99 5.36 -1.26 -2.91 117.98 123.13 3bsq s PHE 210 Ca 0.39 -0.66 -0.11 0.00 -0.96 0.00 0.00 56.93 55.59 3bsq s PHE 210 Cb -0.09 -1.16 0.09 0.00 -0.34 0.00 0.00 43.02 41.52 3bsq s PHE 210 CO 0.33 -0.49 1.13 -1.25 -1.46 0.00 0.00 175.22 173.48 3bsq s PRO 211 N 1.75 1.76 -0.31 10.12 0.04 -1.26 -5.10 135.00 142.01 3bsq s PRO 211 Ca 0.05 1.40 0.11 0.00 0.04 0.00 0.00 61.00 62.60 3bsq s PRO 211 Cb -0.13 -1.82 0.47 0.00 0.04 0.00 0.00 34.50 33.06 3bsq s PRO 211 CO -0.08 -2.05 1.14 0.00 0.04 0.00 0.00 177.00 176.06 3bsq n GLY 213 N -0.61 3.34 0.00 0.00 0.00 -1.26 -4.31 105.19 102.34 3bsq n GLY 213 Ca 0.32 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3bsq n GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bsq n GLN 214 N -1.79 1.02 -0.71 1.61 10.64 -1.26 -3.95 117.38 122.95 3bsq n GLN 214 Ca 0.00 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.16 3bsq n GLN 214 Cb 0.00 0.00 0.23 0.00 -0.86 0.00 0.00 30.24 29.61 3bsq n GLN 214 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 3bsq n PRO 215 N 0.00 2.46 0.00 2.61 -0.02 -1.26 -3.27 135.00 135.52 3bsq n PRO 215 Ca 0.00 -3.03 0.00 0.00 -2.02 0.00 0.00 63.50 58.45 3bsq n PRO 215 Cb 0.00 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3bsq n PRO 215 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3bsq n ASN 216 N -0.80 0.00 -4.11 2.55 4.05 -1.26 -2.88 115.26 112.81 3bsq n ASN 216 Ca 0.31 -0.43 -0.33 0.00 0.45 0.00 0.00 54.58 54.58 3bsq n ASN 216 Cb 1.05 0.00 -0.15 0.00 1.23 0.00 0.00 39.78 41.91 3bsq n ASN 216 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 3bsq s ASP 217 N 0.00 4.31 0.84 1.20 -0.00 -1.20 -4.96 116.67 116.85 3bsq s ASP 217 Ca 0.00 -1.21 -0.11 0.00 -0.00 0.00 0.00 52.55 51.23 3bsq s ASP 217 Cb 0.00 -1.58 0.09 0.00 -0.00 0.00 0.00 42.92 41.44 3bsq s ASP 217 CO 0.00 -0.17 1.09 -2.84 -0.00 0.00 0.00 175.17 173.25 3bsq s PRO 218 N 1.18 1.74 0.61 8.23 0.02 -1.26 -4.77 135.00 140.74 3bsq s PRO 218 Ca -0.05 0.90 -0.16 0.00 0.02 0.00 0.00 61.00 61.71 3bsq s PRO 218 Cb -0.19 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.45 3bsq s PRO 218 CO -0.05 -1.93 1.07 0.20 -0.33 0.00 0.00 177.00 175.96 3bsq s GLY 219 N -3.50 2.15 0.08 0.52 0.00 -0.55 -4.67 107.32 101.35 3bsq s GLY 219 Ca 0.62 0.44 0.06 0.00 0.00 0.00 0.00 44.72 45.84 3bsq s GLY 219 CO 0.56 0.77 -0.17 0.14 0.00 0.00 0.00 173.10 174.40 3bsq s VAL 220 N -2.41 1.34 -0.27 1.40 1.01 -0.22 -1.83 120.40 119.42 3bsq s VAL 220 Ca 0.65 -1.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.10 3bsq s VAL 220 Cb -0.17 -1.25 0.08 0.00 0.00 0.00 0.00 36.38 35.04 3bsq s VAL 220 CO 0.38 -0.14 0.67 -0.31 0.00 0.00 0.00 175.10 175.70 3bsq s TYR 221 N -1.19 -1.03 -0.10 5.22 1.51 -0.87 0.00 117.35 120.89 3bsq s TYR 221 Ca 0.01 2.08 -0.30 0.00 -1.01 0.00 0.00 57.07 57.86 3bsq s TYR 221 Cb -0.10 0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 42.33 3bsq s TYR 221 CO 0.03 -0.52 1.45 0.99 -1.11 0.00 0.00 175.55 176.39 3bsq s THR 222 N 1.61 3.91 -0.89 -0.71 2.01 -0.79 0.16 115.64 120.94 3bsq s THR 222 Ca -0.10 1.12 -0.25 0.00 0.31 0.00 0.00 61.69 62.78 3bsq s THR 222 Cb -0.05 -3.73 -0.06 0.00 0.01 0.00 0.00 72.50 68.67 3bsq s THR 222 CO -0.19 -0.09 2.00 -1.10 -0.69 0.00 0.00 174.62 174.55 3bsq s GLN 223 N 3.61 2.43 0.34 4.92 -0.21 -0.09 -2.15 119.66 128.51 3bsq s GLN 223 Ca 0.64 -0.21 0.11 0.00 0.02 0.00 0.00 55.36 55.92 3bsq s GLN 223 Cb -0.28 -5.03 0.90 0.00 1.00 0.00 0.00 33.01 29.59 3bsq s GLN 223 CO 0.23 -3.53 1.76 0.28 -2.12 0.00 0.00 175.29 171.91 3bsq h VAL 224 N 7.29 0.60 -1.00 1.09 2.07 -1.49 0.73 116.25 125.55 3bsq h VAL 224 Ca 0.09 -0.20 0.29 0.00 0.82 0.00 0.00 66.70 67.69 3bsq h VAL 224 Cb 1.00 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 3bsq h VAL 224 CO 1.18 0.11 1.15 0.00 0.02 0.00 0.00 177.57 180.03 3bsq n LYS 226 N -3.31 2.98 0.00 0.00 5.02 0.25 -4.52 118.16 118.57 3bsq n LYS 226 Ca 0.22 -2.37 0.00 0.00 -2.02 0.00 0.00 58.31 54.15 3bsq n LYS 226 Cb 1.46 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.97 3bsq n LYS 226 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3bsq n PHE 227 N 0.40 0.00 -0.23 2.13 3.72 0.37 -4.82 117.46 119.04 3bsq n PHE 227 Ca 0.16 -0.02 0.18 0.00 -0.05 0.00 0.00 57.45 57.72 3bsq n PHE 227 Cb 0.60 -0.00 0.50 0.00 -0.94 0.00 0.00 39.48 39.64 3bsq n PHE 227 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3bsq h THR 228 N 0.46 0.71 0.93 4.37 1.35 -1.78 0.96 112.91 119.90 3bsq h THR 228 Ca 0.00 -0.15 -0.05 0.00 -0.55 0.00 0.00 66.41 65.67 3bsq h THR 228 Cb 0.24 0.25 0.01 0.00 -1.73 0.00 0.00 68.15 66.91 3bsq h THR 228 CO 0.00 0.08 -0.45 0.50 -0.25 0.00 0.00 175.52 175.40 3bsq h LYS 229 N 0.42 -1.21 -0.66 4.72 1.63 -1.93 -2.53 116.57 117.01 3bsq h LYS 229 Ca 0.45 0.08 0.13 0.00 -0.85 0.00 0.00 60.65 60.46 3bsq h LYS 229 Cb 1.09 0.27 -0.10 0.00 -0.60 0.00 0.00 32.23 32.90 3bsq h LYS 229 CO -0.17 -0.81 0.15 2.35 -3.45 0.00 0.00 179.45 177.53 3bsq h TRP 230 N -1.33 0.24 -0.11 1.91 7.01 -1.70 -1.53 115.95 120.45 3bsq h TRP 230 Ca -0.13 0.04 0.02 0.00 2.11 0.00 0.00 58.89 60.93 3bsq h TRP 230 Cb 0.96 -0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.98 3bsq h TRP 230 CO -0.00 -0.05 -0.27 0.82 -2.79 0.00 0.00 178.44 176.15 3bsq h ILE 231 N 0.27 0.00 0.00 2.65 2.04 -0.71 0.47 117.51 122.23 3bsq h ILE 231 Ca 0.36 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.16 3bsq h ILE 231 Cb 0.56 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3bsq h ILE 231 CO -0.44 0.00 -0.28 -0.55 0.00 0.00 0.00 178.15 176.87 3bsq h ASN 232 N -0.26 0.00 -0.00 1.72 -1.07 -1.32 -2.10 115.58 112.55 3bsq h ASN 232 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.39 3bsq h ASN 232 Cb 0.33 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.58 3bsq h ASN 232 CO -0.24 0.28 0.00 0.44 0.07 0.00 0.00 177.43 177.98 3bsq h ASP 233 N 0.00 0.00 -0.06 6.14 3.32 -0.92 -2.72 116.42 122.17 3bsq h ASP 233 Ca -0.00 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 56.93 3bsq h ASP 233 Cb 0.96 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 3bsq h ASP 233 CO 0.04 0.14 0.10 0.74 -1.72 0.00 0.00 179.24 178.54 3bsq h THR 234 N -0.14 0.31 -3.45 0.35 2.02 0.61 -3.31 112.91 109.30 3bsq h THR 234 Ca 0.00 0.00 -0.60 0.00 0.77 0.00 0.00 66.41 66.58 3bsq h THR 234 Cb 0.14 0.91 -0.10 0.00 -1.74 0.00 0.00 68.15 67.36 3bsq h THR 234 CO -0.00 0.00 0.46 -0.04 0.37 0.00 0.00 175.52 176.31 3bsq s MET 235 N -4.45 3.91 0.00 6.66 -1.94 -1.01 -4.16 119.30 118.31 3bsq s MET 235 Ca -0.05 0.57 0.00 0.00 -1.71 0.00 0.00 55.69 54.50 3bsq s MET 235 Cb 0.14 -3.76 0.00 0.00 2.01 0.00 0.00 34.83 33.22 3bsq s MET 235 CO 0.48 -0.77 0.00 0.36 -0.01 0.00 0.00 175.02 175.08 3bsq n LYS 236 N 6.39 0.00 -1.11 2.03 -0.00 -1.25 -4.91 118.16 119.32 3bsq n LYS 236 Ca 0.05 0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.56 3bsq n LYS 236 Cb 0.48 -0.40 0.00 0.00 -0.00 0.00 0.00 35.03 35.11 3bsq n LYS 236 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3bsq n HIS 237 N 0.52 0.00 0.00 5.58 8.25 -1.26 -5.05 115.22 123.27 3bsq n HIS 237 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3bsq n HIS 237 Cb 0.00 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 30.63 3bsq n HIS 237 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70