#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 4.96 -1.11 1.39 -1.09 0.11 -4.11 121.20 121.34 3bsq s ILE 17 Ca 0.00 0.03 -0.01 0.00 -2.23 0.00 0.00 60.65 58.43 3bsq s ILE 17 Cb 0.00 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 3bsq s ILE 17 CO 0.00 0.47 0.19 -0.67 -1.23 0.00 0.00 174.94 173.70 3bsq n ASP 18 N 3.42 -4.42 -0.46 3.58 4.64 -1.26 -2.77 116.55 119.28 3bsq n ASP 18 Ca -0.17 -0.10 0.00 0.00 -1.38 0.00 0.00 54.79 53.15 3bsq n ASP 18 Cb 0.52 -3.45 0.00 0.00 -1.04 0.00 0.00 41.12 37.15 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 -1.13 3.76 3.05 0.27 0.00 -1.26 -4.85 105.19 105.03 3bsq n GLY 19 Ca -0.12 -2.06 -0.09 0.00 0.00 0.00 0.00 46.02 43.74 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 0.11 -0.10 4.61 0.00 0.15 -4.90 121.76 119.63 3bsq s ALA 20 Ca 0.00 -0.67 -0.33 0.00 0.00 0.00 0.00 51.96 50.96 3bsq s ALA 20 Cb 0.00 0.20 -0.10 0.00 0.00 0.00 0.00 23.12 23.22 3bsq s ALA 20 CO 0.00 -0.25 1.96 -2.30 0.00 0.00 0.00 175.76 175.17 3bsq n PRO 21 N 1.03 2.21 -1.63 0.00 -0.01 -1.26 -0.51 135.00 134.83 3bsq n PRO 21 Ca -0.20 0.78 -0.40 0.00 -0.01 0.00 0.00 63.50 63.67 3bsq n PRO 21 Cb 0.57 -2.77 0.02 0.00 -0.01 0.00 0.00 33.50 31.32 3bsq n PRO 21 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 3bsq s ALA 23 N -1.32 3.57 -0.03 0.00 0.00 -1.26 -4.89 121.76 117.83 3bsq s ALA 23 Ca 0.66 1.16 -0.33 0.00 0.00 0.00 0.00 51.96 53.45 3bsq s ALA 23 Cb -0.51 -3.51 -0.16 0.00 0.00 0.00 0.00 23.12 18.94 3bsq s ALA 23 CO 0.55 -0.60 0.90 0.54 0.00 0.00 0.00 175.76 177.14 3bsq n ARG 24 N 2.97 0.00 -2.06 0.00 5.12 -1.26 -1.89 116.66 119.54 3bsq n ARG 24 Ca 0.08 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.89 3bsq n ARG 24 Cb 0.42 -1.21 -0.02 0.00 -1.16 0.00 0.00 32.46 30.49 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 1.36 0.01 0.68 -0.13 0.00 -1.26 -4.79 105.19 101.06 3bsq n GLY 25 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.24 2.08 -2.71 1.61 3.41 -0.79 -4.45 113.62 111.53 3bsq n SER 26 Ca -0.12 -1.72 -0.18 0.00 -0.26 0.00 0.00 58.87 56.59 3bsq n SER 26 Cb 0.51 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 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 0.61 2.07 0.78 7.33 8.25 -1.26 -4.93 115.22 128.06 3bsq n HIS 27 Ca 0.17 -3.19 0.10 0.00 -0.26 0.00 0.00 57.72 54.54 3bsq n HIS 27 Cb 0.42 -0.30 0.45 0.00 1.12 0.00 0.00 29.99 31.68 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 0.10 0.03 -0.41 -0.04 -1.26 -1.39 135.00 131.85 3bsq n PRO 28 Ca 0.24 0.14 0.12 0.00 -0.04 0.00 0.00 63.50 63.95 3bsq n PRO 28 Cb 0.70 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.84 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 -1.43 0.27 -2.68 0.54 2.14 -1.23 -1.81 117.44 113.24 3bsq n TRP 29 Ca 0.06 0.08 -0.41 0.00 2.07 0.00 0.00 57.50 59.30 3bsq n TRP 29 Cb 0.21 -0.45 -0.04 0.00 -0.81 0.00 0.00 31.31 30.22 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 -3.10 4.66 0.29 -2.67 2.00 -0.49 -0.66 119.66 119.69 3bsq s GLN 30 Ca 0.08 1.51 0.04 0.00 -2.00 0.00 0.00 55.36 54.99 3bsq s GLN 30 Cb 0.15 -3.37 -0.06 0.00 0.80 0.00 0.00 33.01 30.54 3bsq s GLN 30 CO 0.72 0.14 0.02 0.14 -0.50 0.00 0.00 175.29 175.82 3bsq s VAL 31 N 0.10 1.24 -0.02 1.34 -7.23 -0.66 -4.79 120.40 110.38 3bsq s VAL 31 Ca 0.48 -2.04 0.06 0.00 -1.81 0.00 0.00 61.98 58.67 3bsq s VAL 31 Cb -0.24 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 3bsq s VAL 31 CO 0.30 -0.15 -0.19 0.00 -0.31 0.00 0.00 175.10 174.76 3bsq s ALA 32 N -3.27 1.61 -0.26 1.32 0.00 0.36 -2.54 121.76 118.98 3bsq s ALA 32 Ca 0.33 -0.80 -0.09 0.00 0.00 0.00 0.00 51.96 51.40 3bsq s ALA 32 Cb 0.07 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 3bsq s ALA 32 CO 0.13 0.36 0.12 -0.51 0.00 0.00 0.00 175.76 175.87 3bsq s LEU 33 N -0.31 3.70 0.06 0.00 1.43 0.11 -0.02 118.68 123.64 3bsq s LEU 33 Ca 0.04 -0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.09 3bsq s LEU 33 Cb -0.09 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 3bsq s LEU 33 CO 0.00 -0.04 -0.14 -0.76 0.23 0.00 0.00 176.35 175.65 3bsq s LEU 34 N 1.65 2.84 -0.02 1.79 1.43 0.62 -1.12 118.68 125.87 3bsq s LEU 34 Ca 0.07 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.82 3bsq s LEU 34 Cb -0.15 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 3bsq s LEU 34 CO 0.07 0.23 -0.14 -0.55 0.23 0.00 0.00 176.35 176.18 3bsq s SER 35 N -1.75 1.75 1.93 2.29 0.15 -0.49 -1.61 113.70 115.97 3bsq s SER 35 Ca 0.17 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.55 3bsq s SER 35 Cb -0.11 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 3bsq s SER 35 CO 0.09 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.29 3bsq n GLY 36 N 2.94 4.16 0.62 9.45 0.00 -1.26 0.06 105.19 121.16 3bsq n GLY 36 Ca -0.16 0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.00 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 8.57 1.45 -4.79 1.61 5.03 -1.26 -5.00 115.26 120.86 3bsq n ASN 37 Ca 0.00 -2.96 -0.38 0.00 0.87 0.00 0.00 54.58 52.11 3bsq n ASN 37 Cb 0.00 -0.40 -0.06 0.00 -1.02 0.00 0.00 39.78 38.30 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 -1.92 4.11 0.23 3.52 2.00 0.11 -5.04 119.66 122.67 3bsq s GLN 38 Ca 0.29 0.45 -0.32 0.00 -2.00 0.00 0.00 55.36 53.79 3bsq s GLN 38 Cb 0.29 -3.30 -0.12 0.00 0.80 0.00 0.00 33.01 30.67 3bsq s GLN 38 CO -0.05 0.49 1.63 -0.11 -0.50 0.00 0.00 175.29 176.75 3bsq n LEU 39 N 2.49 3.85 -0.02 3.68 7.94 -1.26 -1.40 117.00 132.28 3bsq n LEU 39 Ca -0.11 1.10 -0.05 0.00 -1.11 0.00 0.00 56.01 55.84 3bsq n LEU 39 Cb 0.52 -1.54 -0.02 0.00 0.53 0.00 0.00 43.42 42.91 3bsq n LEU 39 CO 0.40 0.02 -0.66 1.57 -1.11 0.00 0.00 177.39 177.61 3bsq n HIS 40 N 3.17 0.00 -3.81 1.96 -0.00 -0.27 -4.86 115.22 111.41 3bsq n HIS 40 Ca 0.14 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.76 3bsq n HIS 40 Cb 0.34 -0.18 -0.06 0.00 -0.00 0.00 0.00 29.99 30.09 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 -0.15 0.72 0.00 0.00 0.00 0.34 -0.71 105.19 105.39 3bsq n GLY 42 Ca -0.14 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.91 3bsq n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bsq n GLY 43 N 2.52 -0.13 3.08 -0.02 0.00 -1.05 -4.28 105.19 105.30 3bsq n GLY 43 Ca 0.05 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.93 3bsq n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bsq s VAL 44 N -2.00 0.93 -0.42 1.61 -7.23 0.36 -1.66 120.40 111.98 3bsq s VAL 44 Ca 0.00 -0.58 -0.26 0.00 -1.81 0.00 0.00 61.98 59.33 3bsq s VAL 44 Cb 0.00 -0.79 0.02 0.00 0.56 0.00 0.00 36.38 36.17 3bsq s VAL 44 CO 0.00 0.20 0.93 -0.22 -0.31 0.00 0.00 175.10 175.70 3bsq s LEU 45 N -0.43 3.99 0.01 1.32 2.96 0.17 -4.23 118.68 122.46 3bsq s LEU 45 Ca 0.04 0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 54.26 3bsq s LEU 45 Cb -0.05 -3.23 -0.27 0.00 0.50 0.00 0.00 46.19 43.14 3bsq s LEU 45 CO -0.00 -0.97 0.86 -0.37 -1.32 0.00 0.00 176.35 174.55 3bsq h VAL 46 N 5.97 1.16 -2.40 1.68 -1.51 -1.30 -1.10 116.25 118.75 3bsq h VAL 46 Ca -0.24 -2.82 0.05 0.00 -1.23 0.00 0.00 66.70 62.47 3bsq h VAL 46 Cb 1.08 2.74 -0.01 0.00 -2.13 0.00 0.00 31.29 32.97 3bsq h VAL 46 CO 1.01 0.81 0.30 -0.46 -1.23 0.00 0.00 177.57 178.00 3bsq n ASN 47 N -3.42 -1.30 0.16 4.19 6.94 -1.18 -4.48 115.26 116.17 3bsq n ASN 47 Ca -0.16 -1.79 0.18 0.00 -0.02 0.00 0.00 54.58 52.80 3bsq n ASN 47 Cb 1.04 2.14 0.72 0.00 -2.36 0.00 0.00 39.78 41.32 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 -0.04 -3.83 3.07 -1.95 -1.29 114.58 110.54 3bsq h GLU 48 Ca -0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 3bsq h GLU 48 Cb 0.80 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 3bsq h GLU 48 CO 0.26 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.41 3bsq n ARG 49 N -3.36 0.48 -3.81 2.33 5.12 -1.26 -2.02 116.66 114.13 3bsq n ARG 49 Ca 0.05 -1.10 -0.12 0.00 -1.93 0.00 0.00 57.85 54.75 3bsq n ARG 49 Cb 0.61 -1.16 -0.12 0.00 -1.16 0.00 0.00 32.46 30.63 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 -0.71 -0.18 0.05 -1.55 0.52 -0.49 -1.27 118.94 115.31 3bsq s TRP 50 Ca 0.10 0.44 0.03 0.00 0.02 0.00 0.00 56.10 56.69 3bsq s TRP 50 Cb 0.07 0.06 -0.02 0.00 -1.15 0.00 0.00 33.47 32.42 3bsq s TRP 50 CO 0.10 -0.11 -0.10 0.08 0.02 0.00 0.00 176.95 176.95 3bsq s VAL 51 N 0.00 0.70 0.00 4.03 1.01 -0.80 -0.78 120.40 124.56 3bsq s VAL 51 Ca -0.01 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.87 3bsq s VAL 51 Cb -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.64 3bsq s VAL 51 CO 0.00 -0.31 0.00 0.18 0.00 0.00 0.00 175.10 174.97 3bsq n LEU 52 N 1.48 -1.62 0.00 3.92 7.99 -0.81 0.53 117.00 128.50 3bsq n LEU 52 Ca -0.22 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.65 3bsq n LEU 52 Cb 0.55 -0.81 -0.03 0.00 -0.11 0.00 0.00 43.42 43.02 3bsq n LEU 52 CO 0.21 0.00 0.16 0.41 -1.51 0.00 0.00 177.39 176.66 3bsq n THR 53 N -0.60 0.00 -2.66 -5.08 -1.04 -0.83 -0.49 114.28 103.58 3bsq n THR 53 Ca 0.00 -1.59 -0.32 0.00 -2.04 0.00 0.00 64.05 60.10 3bsq n THR 53 Cb 0.19 0.99 -0.05 0.00 -1.82 0.00 0.00 70.33 69.64 3bsq n THR 53 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3bsq s ALA 54 N -2.64 3.08 0.22 2.41 0.00 -1.26 -0.57 121.76 122.99 3bsq s ALA 54 Ca 0.26 0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.46 3bsq s ALA 54 Cb -0.01 -3.10 0.20 0.00 0.00 0.00 0.00 23.12 20.21 3bsq s ALA 54 CO 0.19 -0.02 1.59 0.00 0.00 0.00 0.00 175.76 177.52 3bsq h ALA 55 N 1.48 0.84 0.00 0.00 0.00 -1.72 -2.74 119.26 117.12 3bsq h ALA 55 Ca -0.48 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.00 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 0.62 0.64 0.00 -2.39 0.00 0.00 0.00 179.25 178.12 3bsq n HIS 56 N -4.04 0.00 1.67 0.00 1.44 -1.26 -1.40 115.22 111.63 3bsq n HIS 56 Ca -0.02 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.78 3bsq n HIS 56 Cb 0.51 -0.29 0.43 0.00 0.12 0.00 0.00 29.99 30.75 3bsq n HIS 56 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3bsq s LYS 58 N -1.90 1.36 0.00 0.00 2.47 -0.50 -4.96 119.74 116.21 3bsq s LYS 58 Ca 0.27 1.46 0.00 0.00 -1.56 0.00 0.00 55.97 56.14 3bsq s LYS 58 Cb 0.13 -1.77 0.00 0.00 -1.46 0.00 0.00 37.83 34.73 3bsq s LYS 58 CO 0.21 -2.37 0.00 -1.33 0.16 0.00 0.00 175.35 172.03 3bsq n MET 59 N -4.01 0.00 0.01 4.03 2.81 -1.26 -5.14 117.12 113.56 3bsq n MET 59 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 3bsq n MET 59 Cb 0.52 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.03 3bsq n MET 59 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3bsq n ASN 60 N -0.99 -0.15 0.00 7.83 2.04 -1.26 -4.88 115.26 117.85 3bsq n ASN 60 Ca 0.00 0.05 0.00 0.00 -0.44 0.00 0.00 54.58 54.19 3bsq n ASN 60 Cb 0.00 0.36 0.00 0.00 -2.53 0.00 0.00 39.78 37.61 3bsq n ASN 60 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 3bsq n GLU 61 N -2.30 0.00 -3.64 -3.83 0.28 -1.26 -4.74 120.64 105.15 3bsq n GLU 61 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.94 3bsq n GLU 61 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 3bsq n GLU 61 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3bsq s TYR 62 N 1.44 -0.81 -0.19 -1.84 1.51 -1.26 -4.93 117.35 111.28 3bsq s TYR 62 Ca 0.00 1.67 -0.02 0.00 -1.01 0.00 0.00 57.07 57.71 3bsq s TYR 62 Cb 0.00 0.47 -0.00 0.00 -0.11 0.00 0.00 41.96 42.32 3bsq s TYR 62 CO 0.00 -0.40 -0.11 0.99 -1.11 0.00 0.00 175.55 174.92 3bsq s THR 63 N 1.28 2.90 -0.24 -0.71 2.01 -0.63 -1.78 115.64 118.47 3bsq s THR 63 Ca -0.08 -0.67 -0.10 0.00 0.31 0.00 0.00 61.69 61.15 3bsq s THR 63 Cb -0.04 -2.27 -0.05 0.00 0.01 0.00 0.00 72.50 70.14 3bsq s THR 63 CO -0.15 0.48 0.16 -0.69 -0.69 0.00 0.00 174.62 173.73 3bsq s VAL 64 N 1.17 5.33 -0.16 3.82 1.01 0.18 -0.27 120.40 131.48 3bsq s VAL 64 Ca 0.02 0.17 -0.06 0.00 0.00 0.00 0.00 61.98 62.11 3bsq s VAL 64 Cb -0.14 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3bsq s VAL 64 CO -0.04 0.33 0.03 -2.28 0.00 0.00 0.00 175.10 173.14 3bsq s HIS 65 N 1.14 3.18 -0.19 5.22 5.65 0.97 -0.91 115.29 130.35 3bsq s HIS 65 Ca 0.07 -0.02 -0.30 0.00 0.25 0.00 0.00 55.06 55.07 3bsq s HIS 65 Cb -0.14 -2.00 0.14 0.00 -1.18 0.00 0.00 32.58 29.40 3bsq s HIS 65 CO 0.05 0.15 1.08 -0.48 -0.65 0.00 0.00 174.74 174.89 3bsq s LEU 66 N 0.17 -0.29 -0.07 8.88 0.05 -1.02 -0.48 118.68 125.91 3bsq s LEU 66 Ca 0.02 0.31 -0.03 0.00 0.05 0.00 0.00 54.13 54.48 3bsq s LEU 66 Cb -0.13 1.68 0.04 0.00 -2.05 0.00 0.00 46.19 45.74 3bsq s LEU 66 CO 0.01 -0.28 0.13 -0.83 -0.55 0.00 0.00 176.35 174.84 3bsq s GLY 67 N -1.12 0.09 0.00 -3.48 0.00 -1.24 0.44 107.32 101.99 3bsq s GLY 67 Ca 0.01 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.20 3bsq s GLY 67 CO -0.01 1.53 0.00 -1.26 0.00 0.00 0.00 173.10 173.36 3bsq n SER 68 N 5.20 0.00 0.00 1.64 2.88 -1.26 -4.68 113.62 117.40 3bsq n SER 68 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 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 -4.36 -3.46 10.43 -1.26 -4.79 116.55 113.11 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 2.77 -0.48 -3.53 2.01 -1.26 0.33 115.64 115.48 3bsq s THR 70 Ca 0.00 -0.79 -0.19 0.00 0.31 0.00 0.00 61.69 61.02 3bsq s THR 70 Cb 0.00 -2.11 0.05 0.00 0.01 0.00 0.00 72.50 70.45 3bsq s THR 70 CO 0.00 0.55 0.60 -0.76 -0.69 0.00 0.00 174.62 174.33 3bsq s LEU 71 N 0.01 4.87 -0.30 4.42 1.43 -0.44 -3.95 118.68 124.73 3bsq s LEU 71 Ca -0.06 -0.78 -0.17 0.00 -1.03 0.00 0.00 54.13 52.09 3bsq s LEU 71 Cb -0.15 -2.49 0.18 0.00 0.03 0.00 0.00 46.19 43.76 3bsq s LEU 71 CO 0.05 -0.83 1.11 -0.83 0.23 0.00 0.00 176.35 176.08 3bsq s GLY 72 N 2.46 0.04 0.15 -3.19 0.00 -1.26 -4.85 107.32 100.67 3bsq s GLY 72 Ca 0.16 3.33 0.01 0.00 0.00 0.00 0.00 44.72 48.22 3bsq s GLY 72 CO 0.13 3.23 0.07 2.09 0.00 0.00 0.00 173.10 178.63 3bsq n ASP 73 N 4.64 1.84 -0.02 1.64 5.68 -1.25 -5.07 116.55 124.00 3bsq n ASP 73 Ca -0.09 -1.58 -0.04 0.00 -0.50 0.00 0.00 54.79 52.58 3bsq n ASP 73 Cb 0.54 0.03 -0.01 0.00 -1.14 0.00 0.00 41.12 40.54 3bsq n ASP 73 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3bsq n ARG 74 N -0.68 0.07 -3.05 0.11 3.00 -1.26 -3.38 116.66 111.47 3bsq n ARG 74 Ca -0.03 0.03 -0.13 0.00 -0.01 0.00 0.00 57.85 57.72 3bsq n ARG 74 Cb 0.18 -0.62 0.07 0.00 0.00 0.00 0.00 32.46 32.08 3bsq n ARG 74 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 3bsq n ARG 75 N -3.17 -3.94 0.00 5.56 1.85 -1.26 -4.98 116.66 110.72 3bsq n ARG 75 Ca -0.07 0.69 0.00 0.00 -1.00 0.00 0.00 57.85 57.47 3bsq n ARG 75 Cb 0.54 -5.12 0.00 0.00 -1.05 0.00 0.00 32.46 26.83 3bsq n ARG 75 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3bsq n ALA 76 N -3.27 0.00 -2.60 2.89 0.00 -1.22 -4.89 120.51 111.42 3bsq n ALA 76 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.95 3bsq n ALA 76 Cb 0.62 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.94 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 4.97 2.67 -0.10 0.00 -0.21 1.50 -3.73 119.66 124.76 3bsq s GLN 77 Ca 0.00 -0.70 -0.10 0.00 0.02 0.00 0.00 55.36 54.59 3bsq s GLN 77 Cb 0.00 -2.42 -0.05 0.00 1.00 0.00 0.00 33.01 31.54 3bsq s GLN 77 CO 0.00 0.54 0.22 1.03 -2.12 0.00 0.00 175.29 174.96 3bsq s ARG 78 N -0.52 3.69 -0.01 2.91 3.00 -1.26 -2.45 118.95 124.32 3bsq s ARG 78 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 55.73 55.83 3bsq s ARG 78 Cb -0.12 -3.23 0.01 0.00 0.00 0.00 0.00 34.95 31.60 3bsq s ARG 78 CO 0.02 0.68 -0.01 0.42 0.00 0.00 0.00 175.30 176.40 3bsq s ILE 79 N -0.82 0.10 0.28 1.52 1.01 -0.09 -4.96 121.20 118.24 3bsq s ILE 79 Ca 0.17 -0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.68 3bsq s ILE 79 Cb -0.13 -0.11 -0.08 0.00 0.01 0.00 0.00 42.46 42.14 3bsq s ILE 79 CO 0.06 0.05 0.65 -0.75 0.00 0.00 0.00 174.94 174.95 3bsq s LYS 80 N 0.20 3.91 0.00 2.79 2.20 -1.26 0.50 119.74 128.07 3bsq s LYS 80 Ca -0.02 0.48 0.00 0.00 -0.36 0.00 0.00 55.97 56.08 3bsq s LYS 80 Cb -0.03 -2.54 0.00 0.00 -1.51 0.00 0.00 37.83 33.75 3bsq s LYS 80 CO -0.01 0.23 0.00 0.00 -0.36 0.00 0.00 175.35 175.22 3bsq n ALA 81 N -0.25 0.80 0.00 3.13 0.00 -0.73 -1.00 120.51 122.47 3bsq n ALA 81 Ca 0.02 -0.11 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 -2.06 0.00 -4.24 0.00 7.64 -1.26 -3.86 113.62 109.83 3bsq n SER 82 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 3bsq n SER 82 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 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 2.25 -0.14 1.43 2.47 -1.26 -4.80 119.74 119.70 3bsq s LYS 83 Ca 0.00 -0.83 -0.26 0.00 -1.56 0.00 0.00 55.97 53.31 3bsq s LYS 83 Cb 0.00 -1.97 0.06 0.00 -1.46 0.00 0.00 37.83 34.47 3bsq s LYS 83 CO 0.00 0.38 0.65 -1.54 0.16 0.00 0.00 175.35 175.00 3bsq s SER 84 N -0.21 -0.65 -0.11 1.43 1.04 -1.26 -1.69 113.70 112.25 3bsq s SER 84 Ca -0.01 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.38 3bsq s SER 84 Cb -0.12 0.90 0.02 0.00 0.10 0.00 0.00 66.02 66.92 3bsq s SER 84 CO 0.02 -0.43 -0.09 -0.36 0.98 0.00 0.00 173.24 173.36 3bsq s PHE 85 N -0.51 1.57 0.01 5.02 0.08 0.14 -4.98 117.98 119.30 3bsq s PHE 85 Ca -0.06 -0.77 -0.12 0.00 0.12 0.00 0.00 56.93 56.10 3bsq s PHE 85 Cb -0.02 -1.25 -0.05 0.00 -0.57 0.00 0.00 43.02 41.12 3bsq s PHE 85 CO 0.06 -0.49 0.37 0.50 -0.10 0.00 0.00 175.22 175.55 3bsq s ARG 86 N 1.50 3.81 0.15 0.44 3.52 -1.26 -0.46 118.95 126.64 3bsq s ARG 86 Ca 0.02 0.27 -0.33 0.00 -0.13 0.00 0.00 55.73 55.55 3bsq s ARG 86 Cb -0.13 -3.15 -0.13 0.00 -1.56 0.00 0.00 34.95 29.98 3bsq s ARG 86 CO -0.06 0.66 1.65 1.58 -0.81 0.00 0.00 175.30 178.32 3bsq n HIS 87 N 1.56 2.40 0.03 5.12 -0.00 -0.89 -4.82 115.22 118.62 3bsq n HIS 87 Ca -0.13 0.16 0.22 0.00 -0.00 0.00 0.00 57.72 57.97 3bsq n HIS 87 Cb 0.53 -2.60 0.67 0.00 -0.00 0.00 0.00 29.99 28.59 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 6.60 0.00 -0.64 1.57 0.11 -1.92 -0.96 132.00 136.75 3bsq h PRO 88 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 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 0.91 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.11 3bsq n GLY 89 N -1.53 2.77 3.73 -0.55 0.00 -1.26 -4.98 105.19 103.38 3bsq n GLY 89 Ca 0.11 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.75 3.47 0.00 1.61 5.04 -0.37 -4.57 117.35 120.78 3bsq s TYR 90 Ca 0.50 1.45 0.00 0.00 -2.44 0.00 0.00 57.07 56.58 3bsq s TYR 90 Cb 0.32 -3.39 0.00 0.00 0.35 0.00 0.00 41.96 39.24 3bsq s TYR 90 CO 0.25 -1.06 0.00 0.45 -1.34 0.00 0.00 175.55 173.85 3bsq n SER 91 N 2.67 0.00 0.00 4.32 2.88 -1.16 -5.00 113.62 117.33 3bsq n SER 91 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 3bsq n SER 91 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 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 0.12 2.46 -1.04 -1.26 -4.92 114.28 109.63 3bsq n THR 92 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 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 -0.32 -7.06 -2.82 1.08 -2.00 -3.43 115.11 100.56 3bsq h GLN 93 Ca 0.00 0.02 -0.48 0.00 -1.45 0.00 0.00 58.65 56.75 3bsq h GLN 93 Cb 0.00 0.07 0.05 0.00 -0.05 0.00 0.00 27.48 27.55 3bsq h GLN 93 CO 0.00 -0.22 0.14 0.95 -0.95 0.00 0.00 178.83 178.76 3bsq s THR 94 N -2.85 3.82 -0.58 -0.54 -4.23 -1.26 -5.01 115.64 104.98 3bsq s THR 94 Ca -0.05 -0.02 0.02 0.00 -1.18 0.00 0.00 61.69 60.46 3bsq s THR 94 Cb 0.00 -3.50 0.41 0.00 1.34 0.00 0.00 72.50 70.76 3bsq s THR 94 CO 0.15 -0.50 1.60 1.41 -0.54 0.00 0.00 174.62 176.74 3bsq n HIS 95 N -2.50 3.11 -2.15 3.99 8.25 -1.26 -4.14 115.22 120.52 3bsq n HIS 95 Ca 0.04 -2.68 -0.41 0.00 -0.26 0.00 0.00 57.72 54.41 3bsq n HIS 95 Cb 0.57 -0.76 -0.02 0.00 1.12 0.00 0.00 29.99 30.89 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 -5.05 2.82 -1.32 1.59 1.01 -1.26 -3.29 120.40 114.89 3bsq s VAL 96 Ca 0.54 0.80 -0.01 0.00 0.00 0.00 0.00 61.98 63.31 3bsq s VAL 96 Cb 0.44 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 33.31 3bsq s VAL 96 CO -0.17 0.18 0.70 0.59 0.00 0.00 0.00 175.10 176.40 3bsq n ASN 97 N 1.12 -1.29 -4.17 3.32 3.02 -1.26 -2.98 115.26 113.03 3bsq n ASN 97 Ca 0.01 -0.83 -0.43 0.00 -0.03 0.00 0.00 54.58 53.31 3bsq n ASN 97 Cb 0.42 -4.01 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 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 -3.04 4.76 -3.83 6.41 2.03 -1.21 -4.21 116.55 117.47 3bsq n ASP 98 Ca -0.29 -2.96 -0.12 0.00 0.52 0.00 0.00 54.79 51.95 3bsq n ASP 98 Cb 0.67 -1.62 -0.09 0.00 -0.72 0.00 0.00 41.12 39.36 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 2.08 1.27 -0.01 -2.67 2.34 -1.26 -3.73 118.68 116.70 3bsq s LEU 99 Ca 0.46 -0.15 -0.06 0.00 0.06 0.00 0.00 54.13 54.45 3bsq s LEU 99 Cb 0.06 0.95 0.00 0.00 -0.56 0.00 0.00 46.19 46.64 3bsq s LEU 99 CO 0.00 -0.44 0.12 -0.32 -1.06 0.00 0.00 176.35 174.65 3bsq s MET 100 N -1.66 0.38 -0.03 1.48 1.75 0.26 -2.10 119.30 119.38 3bsq s MET 100 Ca -0.12 -0.26 -0.00 0.00 -1.25 0.00 0.00 55.69 54.06 3bsq s MET 100 Cb -0.05 0.16 -0.04 0.00 2.84 0.00 0.00 34.83 37.74 3bsq s MET 100 CO 0.01 -0.08 0.03 -0.51 -0.65 0.00 0.00 175.02 173.82 3bsq s LEU 101 N -0.99 3.69 -0.18 4.11 1.43 0.39 -1.92 118.68 125.20 3bsq s LEU 101 Ca -0.11 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3bsq s LEU 101 Cb -0.06 -2.05 0.04 0.00 0.03 0.00 0.00 46.19 44.15 3bsq s LEU 101 CO 0.01 0.31 -0.08 -0.69 0.23 0.00 0.00 176.35 176.12 3bsq s VAL 102 N -1.07 1.43 -0.15 -1.59 1.01 2.07 0.23 120.40 122.34 3bsq s VAL 102 Ca 0.19 -0.85 -0.27 0.00 0.00 0.00 0.00 61.98 61.05 3bsq s VAL 102 Cb -0.12 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 3bsq s VAL 102 CO 0.09 0.16 0.89 -0.75 0.00 0.00 0.00 175.10 175.49 3bsq s LYS 103 N 1.49 4.34 0.26 2.72 2.20 -0.68 -1.90 119.74 128.18 3bsq s LYS 103 Ca -0.00 1.15 -0.27 0.00 -0.36 0.00 0.00 55.97 56.49 3bsq s LYS 103 Cb -0.16 -3.56 -0.09 0.00 -1.51 0.00 0.00 37.83 32.51 3bsq s LYS 103 CO -0.08 -0.31 0.90 -0.51 -0.36 0.00 0.00 175.35 174.98 3bsq s LEU 104 N 2.07 4.49 0.11 5.43 1.43 -0.40 -4.09 118.68 127.72 3bsq s LEU 104 Ca 0.42 1.81 -0.17 0.00 -1.03 0.00 0.00 54.13 55.16 3bsq s LEU 104 Cb -0.17 -3.73 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 3bsq s LEU 104 CO 0.14 0.06 1.63 0.78 0.23 0.00 0.00 176.35 179.19 3bsq h ASN 105 N 3.71 0.47 -1.92 2.29 2.35 -1.17 -3.44 115.58 117.86 3bsq h ASN 105 Ca -0.46 -0.20 -0.61 0.00 -0.55 0.00 0.00 56.30 54.47 3bsq h ASN 105 Cb 1.20 -0.12 -0.13 0.00 0.05 0.00 0.00 38.32 39.32 3bsq h ASN 105 CO 0.66 0.55 -0.67 -0.94 -1.65 0.00 0.00 177.43 175.38 3bsq s SER 106 N -5.83 3.82 0.62 5.81 1.04 -1.26 -5.09 113.70 112.81 3bsq s SER 106 Ca -0.13 -1.17 -0.16 0.00 0.48 0.00 0.00 55.95 54.97 3bsq s SER 106 Cb 0.09 -0.38 -0.02 0.00 0.10 0.00 0.00 66.02 65.80 3bsq s SER 106 CO 0.74 -0.22 1.11 -1.10 0.98 0.00 0.00 173.24 174.75 3bsq s GLN 107 N -3.63 3.02 -0.04 4.02 -0.21 -1.26 -4.89 119.66 116.66 3bsq s GLN 107 Ca 0.33 1.42 -0.15 0.00 0.02 0.00 0.00 55.36 56.98 3bsq s GLN 107 Cb 0.02 -1.98 -0.05 0.00 1.00 0.00 0.00 33.01 32.00 3bsq s GLN 107 CO 0.17 -1.08 0.40 0.00 -2.12 0.00 0.00 175.29 172.66 3bsq s ALA 108 N -2.22 3.65 -0.53 6.09 0.00 -0.86 -5.03 121.76 122.86 3bsq s ALA 108 Ca 0.68 -0.25 -0.19 0.00 0.00 0.00 0.00 51.96 52.21 3bsq s ALA 108 Cb -0.21 -2.43 0.08 0.00 0.00 0.00 0.00 23.12 20.56 3bsq s ALA 108 CO 0.37 0.35 0.63 1.03 0.00 0.00 0.00 175.76 178.14 3bsq s ARG 109 N -0.59 3.08 0.27 0.00 1.81 -1.26 -4.82 118.95 117.44 3bsq s ARG 109 Ca 0.23 -1.10 -0.29 0.00 -1.72 0.00 0.00 55.73 52.85 3bsq s ARG 109 Cb -0.16 -4.16 -0.14 0.00 -0.45 0.00 0.00 34.95 30.04 3bsq s ARG 109 CO 0.12 -1.32 1.12 1.28 -0.68 0.00 0.00 175.30 175.81 3bsq n LEU 110 N 6.12 2.07 0.00 2.53 4.77 -1.26 -4.84 117.00 126.39 3bsq n LEU 110 Ca -0.08 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.07 3bsq n LEU 110 Cb 0.44 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 3bsq n LEU 110 CO 0.55 -1.18 0.00 -1.54 -1.33 0.00 0.00 177.39 173.89 3bsq n SER 111 N 1.44 0.00 -0.01 -1.43 3.41 -0.35 -4.92 113.62 111.75 3bsq n SER 111 Ca 0.10 -0.10 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 3bsq n SER 111 Cb 0.31 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 64.84 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 -0.21 0.14 -0.06 4.04 3.41 -1.26 -3.18 113.62 116.50 3bsq n SER 112 Ca 0.00 0.15 0.05 0.00 -0.26 0.00 0.00 58.87 58.81 3bsq n SER 112 Cb 0.00 -0.29 -0.05 0.00 -0.26 0.00 0.00 64.21 63.61 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 -1.40 3.27 -3.87 4.33 2.81 -1.26 -4.95 117.12 116.05 3bsq n MET 113 Ca 0.09 -0.14 -0.26 0.00 -1.81 0.00 0.00 57.70 55.57 3bsq n MET 113 Cb 0.32 -1.01 -0.17 0.00 -0.71 0.00 0.00 33.22 31.65 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 -1.84 0.89 0.05 2.03 1.01 -1.19 -4.46 120.40 116.89 3bsq s VAL 114 Ca 0.05 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 3bsq s VAL 114 Cb 0.08 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.45 3bsq s VAL 114 CO 0.39 0.26 0.15 -0.54 0.00 0.00 0.00 175.10 175.36 3bsq s LYS 115 N 1.75 0.70 0.34 2.72 1.02 -0.75 -1.21 119.74 124.31 3bsq s LYS 115 Ca 0.04 -0.79 -0.27 0.00 0.02 0.00 0.00 55.97 54.96 3bsq s LYS 115 Cb -0.13 0.28 -0.09 0.00 -0.52 0.00 0.00 37.83 37.37 3bsq s LYS 115 CO -0.08 -0.20 1.11 0.15 -0.92 0.00 0.00 175.35 175.42 3bsq s LYS 116 N -3.02 4.38 0.63 1.68 1.02 -1.26 -3.57 119.74 119.59 3bsq s LYS 116 Ca -0.01 1.75 -0.15 0.00 0.02 0.00 0.00 55.97 57.58 3bsq s LYS 116 Cb 0.01 -2.91 -0.02 0.00 -0.52 0.00 0.00 37.83 34.40 3bsq s LYS 116 CO -0.06 -0.01 1.08 0.14 -0.92 0.00 0.00 175.35 175.57 3bsq s VAL 117 N -1.34 3.60 -0.45 3.17 -7.23 -0.42 -4.88 120.40 112.86 3bsq s VAL 117 Ca 0.51 0.73 -0.20 0.00 -1.81 0.00 0.00 61.98 61.21 3bsq s VAL 117 Cb -0.29 -3.27 0.03 0.00 0.56 0.00 0.00 36.38 33.41 3bsq s VAL 117 CO 0.37 -0.47 0.60 -0.60 -0.31 0.00 0.00 175.10 174.69 3bsq s ARG 118 N -4.16 3.21 0.46 4.82 3.52 -1.26 -4.91 118.95 120.62 3bsq s ARG 118 Ca 0.64 -0.55 -0.23 0.00 -0.13 0.00 0.00 55.73 55.46 3bsq s ARG 118 Cb -0.18 -3.98 -0.07 0.00 -1.56 0.00 0.00 34.95 29.16 3bsq s ARG 118 CO 0.40 -1.02 1.20 -0.51 -0.81 0.00 0.00 175.30 174.56 3bsq s LEU 119 N 2.65 4.03 0.58 -0.88 1.43 -1.26 -1.98 118.68 123.25 3bsq s LEU 119 Ca 0.19 2.41 -0.15 0.00 -1.03 0.00 0.00 54.13 55.54 3bsq s LEU 119 Cb -0.16 -4.19 -0.05 0.00 0.03 0.00 0.00 46.19 41.83 3bsq s LEU 119 CO 0.17 -0.97 1.03 -2.16 0.23 0.00 0.00 176.35 174.65 3bsq s PRO 120 N -2.63 3.54 -0.15 1.29 0.04 -1.26 -4.81 135.00 131.02 3bsq s PRO 120 Ca 0.63 1.06 0.16 0.00 0.04 0.00 0.00 61.00 62.89 3bsq s PRO 120 Cb -0.31 -2.07 -0.22 0.00 0.04 0.00 0.00 34.50 31.93 3bsq s PRO 120 CO 0.38 -0.62 0.11 0.43 0.04 0.00 0.00 177.00 177.34 3bsq n SER 121 N -2.01 0.78 -4.13 6.66 7.64 -1.26 -4.91 113.62 116.39 3bsq n SER 121 Ca 0.08 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.76 3bsq n SER 121 Cb 0.53 1.06 -0.13 0.00 -1.01 0.00 0.00 64.21 64.66 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 -2.55 0.89 -0.53 1.43 6.06 -1.26 -5.10 118.95 117.89 3bsq s ARG 122 Ca -0.08 -0.72 -0.27 0.00 -2.50 0.00 0.00 55.73 52.16 3bsq s ARG 122 Cb 0.06 -0.88 0.03 0.00 0.06 0.00 0.00 34.95 34.22 3bsq s ARG 122 CO 0.71 0.22 1.10 0.00 -2.50 0.00 0.00 175.30 174.83 3bsq n GLU 124 N 7.95 1.68 -1.70 0.00 4.07 -1.26 -4.95 120.64 126.42 3bsq n GLU 124 Ca 0.08 0.60 -0.31 0.00 -0.06 0.00 0.00 57.16 57.48 3bsq n GLU 124 Cb 0.49 -2.22 0.05 0.00 -0.06 0.00 0.00 31.44 29.70 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 -0.17 2.90 0.53 5.31 0.04 -1.26 -4.99 135.00 137.36 3bsq s PRO 125 Ca 0.72 0.73 -0.21 0.00 0.04 0.00 0.00 61.00 62.29 3bsq s PRO 125 Cb -0.75 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 31.72 3bsq s PRO 125 CO 0.49 -1.07 1.00 -2.30 0.04 0.00 0.00 177.00 175.16 3bsq n PRO 126 N -3.08 1.15 0.00 0.56 -0.02 -1.26 -3.05 135.00 129.29 3bsq n PRO 126 Ca 0.07 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3bsq n PRO 126 Cb 0.55 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 1.21 3.40 3.76 -1.23 0.00 0.15 -4.94 105.19 107.54 3bsq n GLY 127 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.70 2.70 0.25 2.61 -1.32 -1.17 -4.60 115.64 111.41 3bsq s THR 128 Ca 0.00 0.63 -0.30 0.00 -1.21 0.00 0.00 61.69 60.82 3bsq s THR 128 Cb 0.00 -3.40 -0.09 0.00 -1.51 0.00 0.00 72.50 67.50 3bsq s THR 128 CO 0.00 0.12 1.18 -0.89 -2.21 0.00 0.00 174.62 172.83 3bsq s THR 129 N -0.49 3.36 0.26 5.08 2.01 -1.26 -1.71 115.64 122.88 3bsq s THR 129 Ca 0.55 1.26 0.02 0.00 0.31 0.00 0.00 61.69 63.83 3bsq s THR 129 Cb -0.41 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 3bsq s THR 129 CO 0.48 0.26 0.15 0.00 -0.69 0.00 0.00 174.62 174.82 3bsq s THR 131 N -3.80 0.94 0.06 0.00 2.01 0.64 -1.34 115.64 114.14 3bsq s THR 131 Ca 0.38 -0.29 0.04 0.00 0.31 0.00 0.00 61.69 62.13 3bsq s THR 131 Cb 0.06 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 3bsq s THR 131 CO 0.16 0.33 -0.01 0.54 -0.69 0.00 0.00 174.62 174.95 3bsq s VAL 132 N 1.27 3.97 0.05 3.82 0.11 -0.83 -3.73 120.40 125.06 3bsq s VAL 132 Ca -0.04 -0.89 -0.10 0.00 -2.93 0.00 0.00 61.98 58.02 3bsq s VAL 132 Cb -0.14 -2.84 0.01 0.00 -1.53 0.00 0.00 36.38 31.87 3bsq s VAL 132 CO -0.03 0.21 0.21 -0.94 -3.33 0.00 0.00 175.10 171.22 3bsq s SER 133 N -2.03 0.02 0.00 3.54 1.04 -1.19 -1.88 113.70 113.20 3bsq s SER 133 Ca 0.23 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.27 3bsq s SER 133 Cb -0.12 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.31 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 0.56 -2.29 0.50 7.32 0.00 -0.60 -4.37 105.19 106.30 3bsq n GLY 134 Ca -0.18 -1.22 0.09 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.32 0.49 -1.15 1.61 8.01 -1.26 -1.11 117.44 123.70 3bsq n TRP 135 Ca 0.00 -0.91 -0.29 0.00 -1.31 0.00 0.00 57.50 54.99 3bsq n TRP 135 Cb 0.00 -0.23 0.19 0.00 -2.01 0.00 0.00 31.31 29.26 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 -2.31 1.56 0.58 6.99 0.00 -1.26 -4.35 107.32 108.53 3bsq s GLY 136 Ca 0.36 -0.45 -0.19 0.00 0.00 0.00 0.00 44.72 44.45 3bsq s GLY 136 CO 0.06 0.20 0.78 -0.37 0.00 0.00 0.00 173.10 173.77 3bsq n THR 137 N -4.28 3.04 0.61 0.90 5.66 -0.72 -3.32 114.28 116.18 3bsq n THR 137 Ca 0.06 -0.50 0.07 0.00 -3.05 0.00 0.00 64.05 60.63 3bsq n THR 137 Cb 0.58 -0.95 0.00 0.00 -1.55 0.00 0.00 70.33 68.41 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 -1.65 0.00 -4.16 1.09 -2.24 -0.62 -1.90 114.28 104.80 3bsq n THR 138 Ca 0.13 -0.37 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 3bsq n THR 138 Cb 0.47 1.18 -0.11 0.00 -2.10 0.00 0.00 70.33 69.77 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 -1.64 0.82 -0.16 4.28 -4.23 -1.26 -4.45 115.64 108.99 3bsq s THR 139 Ca 0.12 -1.63 -0.14 0.00 -1.18 0.00 0.00 61.69 58.86 3bsq s THR 139 Cb 0.11 -1.33 0.05 0.00 1.34 0.00 0.00 72.50 72.67 3bsq s THR 139 CO 0.33 -0.61 0.43 -0.55 -0.54 0.00 0.00 174.62 173.68 3bsq s SER 140 N -2.47 -0.47 0.00 3.99 0.15 -1.26 -4.03 113.70 109.61 3bsq s SER 140 Ca 0.05 0.88 0.30 0.00 0.70 0.00 0.00 55.95 57.88 3bsq s SER 140 Cb -0.02 0.87 1.66 0.00 -1.71 0.00 0.00 66.02 66.82 3bsq s SER 140 CO -0.01 -0.16 2.08 -0.81 1.20 0.00 0.00 173.24 175.54 3bsq n PRO 141 N 3.11 0.72 -2.68 5.44 -0.04 -1.26 -4.78 135.00 135.52 3bsq n PRO 141 Ca -0.15 0.01 -0.43 0.00 -0.04 0.00 0.00 63.50 62.89 3bsq n PRO 141 Cb 0.57 -1.50 -0.03 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 -2.24 6.48 0.29 3.54 3.68 -1.26 -4.99 116.67 122.17 3bsq s ASP 142 Ca 0.38 0.10 -0.30 0.00 2.13 0.00 0.00 52.55 54.86 3bsq s ASP 142 Cb 0.20 -2.51 -0.11 0.00 -1.45 0.00 0.00 42.92 39.05 3bsq s ASP 142 CO 0.39 -1.31 1.60 0.54 0.13 0.00 0.00 175.17 176.52 3bsq s VAL 143 N 4.44 2.08 -0.26 1.11 0.11 -1.26 -4.11 120.40 122.51 3bsq s VAL 143 Ca 0.41 0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 59.50 3bsq s VAL 143 Cb -0.09 -3.04 0.15 0.00 -1.53 0.00 0.00 36.38 31.87 3bsq s VAL 143 CO 0.26 0.01 0.41 -0.89 -3.33 0.00 0.00 175.10 171.56 3bsq s THR 144 N 0.06 -0.66 -0.21 5.04 2.01 -1.26 -4.94 115.64 115.68 3bsq s THR 144 Ca 0.64 -0.10 -0.20 0.00 0.31 0.00 0.00 61.69 62.34 3bsq s THR 144 Cb -0.48 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 71.14 3bsq s THR 144 CO 0.47 -0.13 0.61 -0.36 -0.69 0.00 0.00 174.62 174.52 3bsq s PHE 145 N 2.59 3.35 0.45 4.92 0.40 -1.26 -1.59 117.98 126.84 3bsq s PHE 145 Ca 0.13 0.87 -0.18 0.00 -0.60 0.00 0.00 56.93 57.16 3bsq s PHE 145 Cb -0.15 -2.79 -0.09 0.00 0.51 0.00 0.00 43.02 40.50 3bsq s PHE 145 CO -0.19 -0.20 0.92 -1.25 0.70 0.00 0.00 175.22 175.20 3bsq s PRO 146 N 2.02 4.05 0.11 0.24 0.04 -1.26 -4.99 135.00 135.21 3bsq s PRO 146 Ca 0.27 0.94 0.18 0.00 0.04 0.00 0.00 61.00 62.43 3bsq s PRO 146 Cb -0.16 -2.21 -0.09 0.00 0.04 0.00 0.00 34.50 32.09 3bsq s PRO 146 CO 0.10 -0.11 0.92 0.77 0.04 0.00 0.00 177.00 178.72 3bsq h SER 147 N 1.48 0.00 -2.92 6.66 0.02 -1.93 -3.47 113.55 113.40 3bsq h SER 147 Ca -0.48 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 59.85 3bsq h SER 147 Cb 1.18 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.66 3bsq h SER 147 CO 0.62 0.45 -0.28 -1.81 -1.14 0.00 0.00 176.83 174.67 3bsq s ASP 148 N -5.75 6.69 0.33 3.07 1.01 -1.26 -1.33 116.67 119.43 3bsq s ASP 148 Ca -0.02 0.82 -0.29 0.00 0.71 0.00 0.00 52.55 53.78 3bsq s ASP 148 Cb 0.09 -2.20 -0.12 0.00 1.01 0.00 0.00 42.92 41.70 3bsq s ASP 148 CO 0.80 0.34 1.49 -0.11 0.21 0.00 0.00 175.17 177.91 3bsq n LEU 149 N 1.82 4.29 -4.48 1.23 7.94 0.15 -4.84 117.00 123.12 3bsq n LEU 149 Ca -0.15 1.19 -0.25 0.00 -1.11 0.00 0.00 56.01 55.69 3bsq n LEU 149 Cb 0.53 -1.57 -0.10 0.00 0.53 0.00 0.00 43.42 42.81 3bsq n LEU 149 CO 0.36 0.01 -0.47 -0.32 -1.11 0.00 0.00 177.39 175.85 3bsq s MET 150 N -1.30 1.72 -0.11 1.96 1.75 -0.27 -1.75 119.30 121.31 3bsq s MET 150 Ca 0.59 -1.67 -0.08 0.00 -1.25 0.00 0.00 55.69 53.27 3bsq s MET 150 Cb -0.51 -1.83 0.03 0.00 2.84 0.00 0.00 34.83 35.36 3bsq s MET 150 CO 0.56 0.35 0.28 0.00 -0.65 0.00 0.00 175.02 175.56 3bsq s VAL 152 N 0.49 0.10 0.09 0.00 0.11 -0.79 0.31 120.40 120.70 3bsq s VAL 152 Ca -0.03 -0.82 -0.02 0.00 -2.93 0.00 0.00 61.98 58.17 3bsq s VAL 152 Cb -0.04 -0.67 -0.05 0.00 -1.53 0.00 0.00 36.38 34.09 3bsq s VAL 152 CO -0.03 -0.45 0.28 -1.81 -3.33 0.00 0.00 175.10 169.76 3bsq s ASP 153 N -1.73 6.42 -0.25 3.54 1.11 -1.26 -1.97 116.67 122.53 3bsq s ASP 153 Ca -0.10 0.42 -0.25 0.00 0.18 0.00 0.00 52.55 52.79 3bsq s ASP 153 Cb -0.04 -2.02 0.07 0.00 1.07 0.00 0.00 42.92 42.00 3bsq s ASP 153 CO -0.01 0.13 0.74 0.54 1.18 0.00 0.00 175.17 177.76 3bsq s VAL 154 N -1.55 0.00 -0.01 -1.27 0.11 -0.45 -4.87 120.40 112.36 3bsq s VAL 154 Ca 0.36 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.33 3bsq s VAL 154 Cb -0.13 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.67 3bsq s VAL 154 CO 0.25 0.00 0.28 -0.54 -3.33 0.00 0.00 175.10 171.77 3bsq s LYS 155 N 0.24 3.64 0.26 1.54 -0.14 -0.10 0.70 119.74 125.89 3bsq s LYS 155 Ca -0.01 0.04 -0.29 0.00 -1.36 0.00 0.00 55.97 54.35 3bsq s LYS 155 Cb -0.05 -3.12 -0.09 0.00 -1.68 0.00 0.00 37.83 32.89 3bsq s LYS 155 CO 0.01 0.68 1.23 -0.51 -0.76 0.00 0.00 175.35 176.00 3bsq s LEU 156 N -1.47 4.47 -0.09 3.17 1.43 -0.69 -0.21 118.68 125.28 3bsq s LEU 156 Ca 0.24 2.43 0.04 0.00 -1.03 0.00 0.00 54.13 55.81 3bsq s LEU 156 Cb -0.14 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.45 3bsq s LEU 156 CO 0.13 -0.39 -0.23 -0.63 0.23 0.00 0.00 176.35 175.46 3bsq s ILE 157 N -0.69 2.14 0.48 -0.59 1.01 -0.40 0.34 121.20 123.48 3bsq s ILE 157 Ca 0.50 -1.00 -0.24 0.00 0.00 0.00 0.00 60.65 59.91 3bsq s ILE 157 Cb -0.36 -1.81 -0.08 0.00 0.01 0.00 0.00 42.46 40.22 3bsq s ILE 157 CO 0.43 0.56 1.34 -1.54 0.00 0.00 0.00 174.94 175.74 3bsq n SER 158 N 3.42 2.79 -0.30 3.58 3.41 -1.26 -4.33 113.62 120.92 3bsq n SER 158 Ca -0.19 1.06 0.11 0.00 -0.26 0.00 0.00 58.87 59.60 3bsq n SER 158 Cb 0.53 -1.55 0.28 0.00 -0.26 0.00 0.00 64.21 63.21 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 1.91 0.47 -0.61 4.33 0.11 -1.96 0.62 132.00 136.87 3bsq h PRO 159 Ca -0.50 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 3bsq h PRO 159 Cb 1.29 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3bsq h PRO 159 CO 0.59 0.31 0.15 0.37 -0.21 0.00 0.00 178.00 179.22 3bsq h GLN 160 N 0.49 0.95 -0.06 1.05 4.15 -1.98 0.79 115.11 120.51 3bsq h GLN 160 Ca 0.53 -0.21 -0.03 0.00 0.77 0.00 0.00 58.65 59.71 3bsq h GLN 160 Cb 0.93 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.48 3bsq h GLN 160 CO -0.47 0.85 -0.09 -0.44 -1.93 0.00 0.00 178.83 176.75 3bsq h ASP 161 N 0.92 0.17 -0.41 -0.69 3.32 -1.56 -3.27 116.42 114.90 3bsq h ASP 161 Ca 0.20 -0.54 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 3bsq h ASP 161 Cb 0.32 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3bsq h ASP 161 CO -0.00 0.68 0.13 0.00 -1.72 0.00 0.00 179.24 178.34 3bsq h THR 163 N 0.69 1.12 0.00 0.00 1.03 0.53 -0.69 112.91 115.59 3bsq h THR 163 Ca 0.16 -0.23 0.00 0.00 -0.01 0.00 0.00 66.41 66.33 3bsq h THR 163 Cb 0.23 0.43 0.00 0.00 -1.07 0.00 0.00 68.15 67.74 3bsq h THR 163 CO -0.01 0.12 0.00 0.11 -0.01 0.00 0.00 175.52 175.73 3bsq h LYS 164 N 0.64 0.00 0.01 0.00 1.57 -1.51 -2.26 116.57 115.03 3bsq h LYS 164 Ca 0.17 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.59 3bsq h LYS 164 Cb -0.07 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.18 3bsq h LYS 164 CO -0.04 0.00 -2.26 0.28 -0.57 0.00 0.00 179.45 176.86 3bsq n VAL 165 N -2.46 1.50 -1.84 0.50 0.31 -0.27 -4.74 118.33 111.33 3bsq n VAL 165 Ca -0.02 -0.75 0.03 0.00 -0.01 0.00 0.00 64.34 63.60 3bsq n VAL 165 Cb 0.05 -0.96 0.04 0.00 -0.91 0.00 0.00 33.84 32.06 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 -3.02 0.00 0.00 3.52 4.01 -1.09 -5.07 117.16 115.51 3bsq n TYR 166 Ca -0.34 -0.37 0.00 0.00 -0.16 0.00 0.00 57.90 57.03 3bsq n TYR 166 Cb 1.08 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 40.02 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 -0.31 0.00 -0.11 -0.72 5.02 -0.87 -0.72 118.16 120.45 3bsq n LYS 167 Ca 0.05 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.32 3bsq n LYS 167 Cb 0.75 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.73 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 0.00 -0.27 0.09 4.39 8.00 -1.26 -3.32 116.55 124.17 3bsq n ASP 168 Ca 0.00 0.48 0.20 0.00 0.71 0.00 0.00 54.79 56.18 3bsq n ASP 168 Cb 0.00 -0.07 0.75 0.00 -0.02 0.00 0.00 41.12 41.79 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 -9.86 0.64 3.38 -1.33 -3.42 115.31 104.71 3bsq h LEU 169 Ca 0.05 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.54 3bsq h LEU 169 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3bsq h LEU 169 CO -0.25 0.00 0.38 -0.76 0.09 0.00 0.00 178.44 177.90 3bsq s LEU 170 N -7.56 4.39 0.34 1.67 1.43 -1.21 -4.84 118.68 112.90 3bsq s LEU 170 Ca -0.04 1.97 0.09 0.00 -1.03 0.00 0.00 54.13 55.12 3bsq s LEU 170 Cb 0.16 -3.91 -0.06 0.00 0.03 0.00 0.00 46.19 42.41 3bsq s LEU 170 CO 0.56 -0.12 -0.10 -1.61 0.23 0.00 0.00 176.35 175.32 3bsq s GLU 171 N -1.88 1.78 0.35 1.70 0.41 -1.26 -5.03 118.70 114.78 3bsq s GLU 171 Ca 0.49 -1.92 0.25 0.00 -0.41 0.00 0.00 54.97 53.39 3bsq s GLU 171 Cb -0.23 -1.65 1.25 0.00 -1.78 0.00 0.00 34.13 31.73 3bsq s GLU 171 CO 0.29 0.14 1.77 -2.95 -0.49 0.00 0.00 175.26 174.01 3bsq h ASN 172 N 2.06 0.00 -0.59 -0.19 7.08 -2.00 -1.66 115.58 120.29 3bsq h ASN 172 Ca -0.42 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.80 3bsq h ASN 172 Cb 1.25 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.49 3bsq h ASN 172 CO 0.70 0.00 0.00 -1.54 -2.08 0.00 0.00 177.43 174.51 3bsq n SER 173 N -2.38 3.71 -4.94 6.14 3.41 -1.26 -4.90 113.62 113.39 3bsq n SER 173 Ca -0.00 -2.00 -0.27 0.00 -0.26 0.00 0.00 58.87 56.34 3bsq n SER 173 Cb 0.11 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 63.64 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 -1.23 3.43 -0.01 4.33 -1.94 -0.62 -1.55 119.30 121.72 3bsq s MET 174 Ca 0.45 -0.57 0.03 0.00 -1.71 0.00 0.00 55.69 53.89 3bsq s MET 174 Cb 0.24 -2.98 -0.01 0.00 2.01 0.00 0.00 34.83 34.10 3bsq s MET 174 CO 0.33 0.54 -0.10 -1.17 -0.01 0.00 0.00 175.02 174.60 3bsq s LEU 175 N -3.07 2.01 0.02 -0.03 2.96 0.63 -4.74 118.68 116.46 3bsq s LEU 175 Ca 0.35 -0.19 0.05 0.00 -0.22 0.00 0.00 54.13 54.11 3bsq s LEU 175 Cb -0.11 -0.54 -0.03 0.00 0.50 0.00 0.00 46.19 46.00 3bsq s LEU 175 CO 0.28 0.13 -0.11 0.00 -1.32 0.00 0.00 176.35 175.33 3bsq s ALA 177 N -0.96 -0.66 0.00 0.00 0.00 -0.91 -1.27 121.76 117.95 3bsq s ALA 177 Ca 0.16 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.56 3bsq s ALA 177 Cb -0.11 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.86 3bsq s ALA 177 CO 0.06 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.04 3bsq n GLY 178 N 2.02 -1.54 3.07 0.00 0.00 0.71 -1.94 105.19 107.50 3bsq n GLY 178 Ca -0.18 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.52 1.05 0.00 -0.61 1.01 -1.26 -0.92 121.20 117.95 3bsq s ILE 179 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.12 3bsq s ILE 179 Cb 0.00 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.56 3bsq s ILE 179 CO 0.00 0.31 0.00 -2.65 0.00 0.00 0.00 174.94 172.60 3bsq n PRO 180 N 3.08 0.00 0.00 2.79 -0.02 -1.26 0.21 135.00 139.80 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 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 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 -0.57 -4.47 116.55 124.49 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 0.20 -0.81 -3.07 -2.24 7.64 0.57 -4.84 113.62 111.08 3bsq n SER 182 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 3bsq n SER 182 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.76 0.00 1.43 0.00 -1.26 -4.84 118.16 114.25 3bsq n LYS 183 Ca 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 58.31 55.49 3bsq n LYS 183 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 35.03 33.72 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 1.35 0.00 0.00 1.64 4.76 -1.16 -4.54 118.16 120.21 3bsq n LYS 184 Ca 0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 3bsq n LYS 184 Cb 0.57 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.76 3bsq n LYS 184 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3bsq n ASN 185 N 0.00 0.00 -4.86 4.39 2.04 -1.11 -4.45 115.26 111.27 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 2.47 0.08 -2.53 0.00 -1.26 0.04 121.76 119.56 3bsq s ALA 186 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 3bsq s ALA 186 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.11 3bsq s ALA 186 CO 0.00 -1.66 0.13 0.00 0.00 0.00 0.00 175.76 174.22 3bsq n ASN 188 N -1.88 1.49 0.00 0.00 5.03 -1.26 -1.34 115.26 117.29 3bsq n ASN 188 Ca -0.00 1.12 0.00 0.00 0.87 0.00 0.00 54.58 56.57 3bsq n ASN 188 Cb 0.14 -1.17 0.00 0.00 -1.02 0.00 0.00 39.78 37.73 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 2.42 1.80 0.09 7.41 0.00 -1.26 -1.75 105.19 113.90 3bsq n GLY 189 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.41 1.61 3.32 -1.55 -3.28 116.42 115.11 3bsq h ASP 190 Ca 0.00 -0.13 -0.71 0.00 0.02 0.00 0.00 57.03 56.21 3bsq h ASP 190 Cb 0.00 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.61 3bsq h ASP 190 CO 0.00 0.06 0.17 -1.20 -1.72 0.00 0.00 179.24 176.55 3bsq n SER 191 N -2.27 0.66 0.00 6.45 7.64 -1.26 -1.12 113.62 123.72 3bsq n SER 191 Ca 0.04 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.06 3bsq n SER 191 Cb 0.45 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 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 1.96 1.12 3.82 0.23 0.00 -0.06 -0.50 105.19 111.76 3bsq n GLY 192 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.75 1.95 0.88 -0.02 0.00 -0.27 -2.86 107.32 105.25 3bsq s GLY 193 Ca 0.00 0.23 -0.11 0.00 0.00 0.00 0.00 44.72 44.83 3bsq s GLY 193 CO 0.00 0.53 1.09 2.56 0.00 0.00 0.00 173.10 177.28 3bsq s PRO 194 N -4.44 1.35 0.00 2.90 0.04 -1.26 -1.84 135.00 131.74 3bsq s PRO 194 Ca 0.60 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.67 3bsq s PRO 194 Cb -0.14 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3bsq s PRO 194 CO 0.42 -2.23 0.00 -0.11 0.04 0.00 0.00 177.00 175.12 3bsq n LEU 195 N -3.91 0.00 -0.62 -3.56 -0.00 -1.16 -3.16 117.00 104.59 3bsq n LEU 195 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 3bsq n LEU 195 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 3bsq n LEU 195 CO 0.54 0.00 0.00 0.52 -0.00 0.00 0.00 177.39 178.45 3bsq n VAL 196 N 0.00 -0.78 -4.45 1.96 0.31 -1.15 0.75 118.33 114.96 3bsq n VAL 196 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 3bsq n VAL 196 Cb 0.00 -1.64 -0.16 0.00 -0.91 0.00 0.00 33.84 31.13 3bsq n VAL 196 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3bsq n ARG 198 N 3.57 0.00 0.00 0.00 1.85 -1.26 -4.07 116.66 116.75 3bsq n ARG 198 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.64 3bsq n ARG 198 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 3bsq n ARG 198 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3bsq n GLY 199 N -0.30 -1.41 0.00 2.89 0.00 -1.26 -5.03 105.19 100.07 3bsq n GLY 199 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 3bsq n GLY 199 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3bsq n THR 200 N 0.00 0.00 -2.92 2.61 5.66 -1.25 -4.80 114.28 113.58 3bsq n THR 200 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 3bsq n THR 200 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 3bsq n THR 200 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3bsq s LEU 201 N 0.00 4.19 0.05 1.09 2.96 -0.84 -1.35 118.68 124.79 3bsq s LEU 201 Ca 0.00 -0.12 0.19 0.00 -0.22 0.00 0.00 54.13 53.97 3bsq s LEU 201 Cb 0.00 -2.98 -0.15 0.00 0.50 0.00 0.00 46.19 43.56 3bsq s LEU 201 CO 0.00 -1.00 0.73 0.00 -1.32 0.00 0.00 176.35 174.76 3bsq n GLN 202 N 6.93 0.63 -3.77 1.98 1.13 -0.36 -4.10 117.38 119.82 3bsq n GLN 202 Ca 0.03 0.12 -0.07 0.00 -1.94 0.00 0.00 57.00 55.14 3bsq n GLN 202 Cb 0.48 -1.74 -0.02 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 -4.75 -0.20 -0.04 1.08 0.00 0.23 -1.76 107.32 101.87 3bsq s GLY 203 Ca -0.04 -0.08 0.05 0.00 0.00 0.00 0.00 44.72 44.66 3bsq s GLY 203 CO 0.82 -0.02 -0.21 1.08 0.00 0.00 0.00 173.10 174.77 3bsq s LEU 204 N -2.89 1.99 0.18 0.66 1.43 -0.90 -2.99 118.68 116.16 3bsq s LEU 204 Ca 0.10 -0.42 -0.32 0.00 -1.03 0.00 0.00 54.13 52.46 3bsq s LEU 204 Cb -0.04 -1.15 -0.11 0.00 0.03 0.00 0.00 46.19 44.92 3bsq s LEU 204 CO 0.03 0.21 1.70 0.54 0.23 0.00 0.00 176.35 179.06 3bsq s VAL 205 N -0.13 2.26 0.06 -1.59 0.11 -0.77 -2.30 120.40 118.05 3bsq s VAL 205 Ca -0.02 0.13 -0.00 0.00 -2.93 0.00 0.00 61.98 59.16 3bsq s VAL 205 Cb -0.12 -3.08 -0.00 0.00 -1.53 0.00 0.00 36.38 31.65 3bsq s VAL 205 CO 0.02 0.01 -0.01 -0.24 -3.33 0.00 0.00 175.10 171.55 3bsq n SER 206 N 4.30 0.82 -3.58 3.54 2.88 0.47 -0.88 113.62 121.17 3bsq n SER 206 Ca 0.16 0.11 -0.10 0.00 -1.33 0.00 0.00 58.87 57.70 3bsq n SER 206 Cb 0.36 -0.25 -0.02 0.00 -0.75 0.00 0.00 64.21 63.55 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 -2.02 -0.40 0.00 0.66 1.48 -0.09 -4.88 118.94 113.69 3bsq s TRP 207 Ca -0.01 0.11 0.00 0.00 -1.06 0.00 0.00 56.10 55.14 3bsq s TRP 207 Cb 0.00 0.61 0.00 0.00 -1.16 0.00 0.00 33.47 32.92 3bsq s TRP 207 CO 0.01 -0.97 0.00 0.41 -4.06 0.00 0.00 176.95 172.35 3bsq n GLY 208 N -0.40 3.30 3.96 3.67 0.00 -1.26 -1.75 105.19 112.71 3bsq n GLY 208 Ca -0.12 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.61 4.28 -0.10 2.61 -4.23 -1.26 -5.06 115.64 110.27 3bsq s THR 209 Ca 0.00 -0.66 -0.01 0.00 -1.18 0.00 0.00 61.69 59.84 3bsq s THR 209 Cb 0.00 -3.55 0.03 0.00 1.34 0.00 0.00 72.50 70.32 3bsq s THR 209 CO 0.00 -0.32 -0.05 0.12 -0.54 0.00 0.00 174.62 173.83 3bsq s PHE 210 N -2.37 1.23 0.61 3.99 5.36 -1.26 -2.88 117.98 122.66 3bsq s PHE 210 Ca 0.45 -0.56 -0.18 0.00 -0.96 0.00 0.00 56.93 55.68 3bsq s PHE 210 Cb -0.10 -1.09 -0.02 0.00 -0.34 0.00 0.00 43.02 41.47 3bsq s PHE 210 CO 0.35 -0.45 1.22 -1.25 -1.46 0.00 0.00 175.22 173.63 3bsq s PRO 211 N 1.74 2.83 -0.01 10.12 0.04 -1.26 -5.07 135.00 143.39 3bsq s PRO 211 Ca 0.04 1.84 -0.30 0.00 0.04 0.00 0.00 61.00 62.63 3bsq s PRO 211 Cb -0.13 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 3bsq s PRO 211 CO -0.07 -1.32 1.86 0.00 0.04 0.00 0.00 177.00 177.51 3bsq n GLY 213 N 4.45 0.05 3.46 0.00 0.00 -1.26 -4.71 105.19 107.17 3bsq n GLY 213 Ca 0.19 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 3bsq n GLY 213 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3bsq s GLN 214 N -1.24 1.84 0.39 1.61 0.74 -1.26 -4.29 119.66 117.46 3bsq s GLN 214 Ca 0.00 -1.75 0.06 0.00 0.05 0.00 0.00 55.36 53.72 3bsq s GLN 214 Cb 0.00 0.43 0.78 0.00 1.10 0.00 0.00 33.01 35.32 3bsq s GLN 214 CO 0.00 -0.75 2.02 -1.35 -0.55 0.00 0.00 175.29 174.66 3bsq h PRO 215 N 2.14 0.57 0.00 1.67 0.11 -1.93 -3.06 132.00 131.50 3bsq h PRO 215 Ca -0.28 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.70 3bsq h PRO 215 Cb 1.24 -0.12 -0.17 0.00 0.11 0.00 0.00 31.00 32.06 3bsq h PRO 215 CO 0.39 0.42 -0.69 0.09 -0.21 0.00 0.00 178.00 178.00 3bsq n ASN 216 N -4.43 0.83 -4.29 -2.05 3.02 -1.26 -1.51 115.26 105.56 3bsq n ASN 216 Ca 0.03 -2.30 -0.38 0.00 -0.03 0.00 0.00 54.58 51.90 3bsq n ASN 216 Cb 0.09 -0.30 -0.12 0.00 -0.61 0.00 0.00 39.78 38.84 3bsq n ASN 216 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3bsq s ASP 217 N -1.84 5.39 0.94 6.41 1.01 -1.16 -4.98 116.67 122.44 3bsq s ASP 217 Ca 0.22 -1.10 -0.11 0.00 0.71 0.00 0.00 52.55 52.26 3bsq s ASP 217 Cb 0.23 -1.90 0.16 0.00 1.01 0.00 0.00 42.92 42.42 3bsq s ASP 217 CO -0.08 -0.34 1.09 -2.84 0.21 0.00 0.00 175.17 173.22 3bsq s PRO 218 N 1.43 0.87 0.79 8.23 0.02 -1.26 -4.69 135.00 140.39 3bsq s PRO 218 Ca -0.01 1.09 -0.12 0.00 0.02 0.00 0.00 61.00 61.98 3bsq s PRO 218 Cb -0.19 -1.74 0.06 0.00 0.02 0.00 0.00 34.50 32.65 3bsq s PRO 218 CO 0.04 -2.58 1.11 0.20 -0.33 0.00 0.00 177.00 175.43 3bsq s GLY 219 N -3.01 1.62 -0.09 0.52 0.00 -0.82 -4.67 107.32 100.87 3bsq s GLY 219 Ca 0.65 -0.33 -0.11 0.00 0.00 0.00 0.00 44.72 44.93 3bsq s GLY 219 CO 0.59 0.10 0.30 0.14 0.00 0.00 0.00 173.10 174.22 3bsq s VAL 220 N -3.27 0.02 0.00 1.40 1.01 -0.72 -2.14 120.40 116.70 3bsq s VAL 220 Ca 0.61 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.45 3bsq s VAL 220 Cb -0.13 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.78 3bsq s VAL 220 CO 0.53 -0.08 0.00 -1.22 0.00 0.00 0.00 175.10 174.33 3bsq n TYR 221 N 2.49 0.00 -0.39 5.22 4.02 -0.97 -0.40 117.16 127.13 3bsq n TYR 221 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 3bsq n TYR 221 Cb 0.57 -0.48 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 3bsq n TYR 221 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3bsq n THR 222 N 0.49 0.00 -2.02 -0.72 -1.04 -1.24 0.23 114.28 109.98 3bsq n THR 222 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 3bsq n THR 222 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 3bsq n THR 222 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3bsq s GLN 223 N 0.00 2.53 0.29 -2.82 -0.21 -0.59 -2.13 119.66 116.73 3bsq s GLN 223 Ca 0.00 -0.01 0.03 0.00 0.02 0.00 0.00 55.36 55.40 3bsq s GLN 223 Cb 0.00 -4.87 0.61 0.00 1.00 0.00 0.00 33.01 29.74 3bsq s GLN 223 CO 0.00 -3.25 1.83 0.28 -2.12 0.00 0.00 175.29 172.03 3bsq h VAL 224 N 7.19 0.89 -1.19 1.09 2.07 -1.62 -0.99 116.25 123.68 3bsq h VAL 224 Ca -0.00 -0.32 0.34 0.00 0.82 0.00 0.00 66.70 67.54 3bsq h VAL 224 Cb 1.05 -0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 3bsq h VAL 224 CO 1.20 0.17 1.04 0.00 0.02 0.00 0.00 177.57 180.00 3bsq n LYS 226 N -3.16 2.91 0.00 0.00 5.02 -0.38 -4.56 118.16 117.99 3bsq n LYS 226 Ca 0.27 -2.24 0.00 0.00 -2.02 0.00 0.00 58.31 54.32 3bsq n LYS 226 Cb 1.39 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 0.55 0.00 -0.31 2.13 3.72 0.11 -4.81 117.46 118.86 3bsq n PHE 227 Ca 0.15 0.00 0.23 0.00 -0.05 0.00 0.00 57.45 57.77 3bsq n PHE 227 Cb 0.52 0.00 0.52 0.00 -0.94 0.00 0.00 39.48 39.58 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 0.35 0.55 0.78 4.37 1.35 -1.79 0.13 112.91 118.65 3bsq h THR 228 Ca 0.00 -0.13 -0.04 0.00 -0.55 0.00 0.00 66.41 65.69 3bsq h THR 228 Cb 0.17 0.14 0.01 0.00 -1.73 0.00 0.00 68.15 66.74 3bsq h THR 228 CO 0.00 0.07 -0.38 0.50 -0.25 0.00 0.00 175.52 175.46 3bsq h LYS 229 N 0.38 -1.01 -0.49 4.72 1.63 -1.93 -2.67 116.57 117.19 3bsq h LYS 229 Ca 0.56 0.07 0.08 0.00 -0.85 0.00 0.00 60.65 60.52 3bsq h LYS 229 Cb 1.47 0.23 -0.07 0.00 -0.60 0.00 0.00 32.23 33.26 3bsq h LYS 229 CO -0.25 -0.66 0.10 2.35 -3.45 0.00 0.00 179.45 177.53 3bsq h TRP 230 N -1.11 0.15 -0.20 1.91 7.01 -1.50 -1.72 115.95 120.49 3bsq h TRP 230 Ca -0.11 0.03 0.02 0.00 2.11 0.00 0.00 58.89 60.95 3bsq h TRP 230 Cb 0.82 0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.84 3bsq h TRP 230 CO -0.01 -0.01 -0.29 0.82 -2.79 0.00 0.00 178.44 176.16 3bsq h ILE 231 N 0.23 0.00 0.00 2.65 2.04 -0.66 0.45 117.51 122.22 3bsq h ILE 231 Ca 0.25 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.07 3bsq h ILE 231 Cb 0.33 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 3bsq h ILE 231 CO -0.32 0.00 -0.19 -0.55 0.00 0.00 0.00 178.15 177.08 3bsq h ASN 232 N -0.21 0.00 -0.20 1.72 -1.07 -1.43 -2.18 115.58 112.22 3bsq h ASN 232 Ca 0.04 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.40 3bsq h ASN 232 Cb 0.31 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.55 3bsq h ASN 232 CO -0.30 0.19 0.10 0.44 0.07 0.00 0.00 177.43 177.93 3bsq h ASP 233 N 0.00 0.26 -0.04 6.14 3.45 -0.85 -3.04 116.42 122.34 3bsq h ASP 233 Ca -0.00 -0.11 0.01 0.00 0.43 0.00 0.00 57.03 57.36 3bsq h ASP 233 Cb 0.97 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 39.68 3bsq h ASP 233 CO 0.03 0.30 0.05 0.74 -1.57 0.00 0.00 179.24 178.78 3bsq h THR 234 N 0.20 0.43 -3.14 0.35 2.02 0.54 -3.00 112.91 110.30 3bsq h THR 234 Ca 0.07 0.00 -0.74 0.00 0.77 0.00 0.00 66.41 66.51 3bsq h THR 234 Cb 0.11 0.96 -0.22 0.00 -1.74 0.00 0.00 68.15 67.25 3bsq h THR 234 CO -0.01 0.00 -0.17 0.00 0.37 0.00 0.00 175.52 175.71 3bsq s MET 235 N -4.55 3.01 0.17 6.66 0.00 -1.09 -4.02 119.30 119.48 3bsq s MET 235 Ca -0.05 -1.45 0.07 0.00 0.00 0.00 0.00 55.69 54.26 3bsq s MET 235 Cb 0.15 -4.22 -0.04 0.00 0.00 0.00 0.00 34.83 30.71 3bsq s MET 235 CO 0.52 -1.26 0.00 -1.59 0.00 0.00 0.00 175.02 172.69 3bsq s LYS 236 N 1.90 2.42 0.00 3.16 0.00 -1.14 -4.82 119.74 121.26 3bsq s LYS 236 Ca 0.06 -1.10 0.00 0.00 0.00 0.00 0.00 55.97 54.93 3bsq s LYS 236 Cb -0.26 -2.37 0.00 0.00 0.00 0.00 0.00 37.83 35.20 3bsq s LYS 236 CO 0.06 0.46 0.00 0.72 0.00 0.00 0.00 175.35 176.58 3bsq n HIS 237 N -0.13 0.00 0.00 1.78 8.25 -1.26 -5.04 115.22 118.83 3bsq n HIS 237 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 3bsq n HIS 237 Cb 0.55 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.40 3bsq n HIS 237 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59