#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n7o s ILE 17 N 0.00 3.61 -0.74 1.39 1.01 0.53 -4.07 121.20 122.93 3n7o s ILE 17 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.17 3n7o s ILE 17 Cb 0.00 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.94 3n7o s ILE 17 CO 0.00 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.08 3n7o n GLY 18 N 3.16 0.79 0.00 6.18 0.00 -1.26 -1.75 105.19 112.31 3n7o n GLY 18 Ca -0.18 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3n7o n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n7o n GLY 19 N -1.92 2.34 3.27 -0.02 0.00 -1.26 -4.90 105.19 102.70 3n7o n GLY 19 Ca -0.07 -2.12 -0.16 0.00 0.00 0.00 0.00 46.02 43.67 3n7o n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3n7o s THR 20 N 1.00 1.32 0.23 2.61 -4.23 -0.00 -4.92 115.64 111.65 3n7o s THR 20 Ca 0.00 -2.06 -0.30 0.00 -1.18 0.00 0.00 61.69 58.15 3n7o s THR 20 Cb 0.00 -1.86 -0.10 0.00 1.34 0.00 0.00 72.50 71.88 3n7o s THR 20 CO 0.00 -0.68 1.43 -0.70 -0.54 0.00 0.00 174.62 174.14 3n7o s GLU 21 N -3.61 4.28 0.61 3.99 2.12 -1.26 -0.54 118.70 124.29 3n7o s GLU 21 Ca 0.17 2.27 -0.18 0.00 0.36 0.00 0.00 54.97 57.59 3n7o s GLU 21 Cb 0.01 -3.13 -0.03 0.00 0.26 0.00 0.00 34.13 31.24 3n7o s GLU 21 CO 0.02 -0.42 1.18 0.00 -0.54 0.00 0.00 175.26 175.51 3n7o s LYS 23 N -3.47 4.16 0.19 0.00 2.20 -1.26 -4.89 119.74 116.67 3n7o s LYS 23 Ca 0.75 2.51 -0.33 0.00 -0.36 0.00 0.00 55.97 58.54 3n7o s LYS 23 Cb -0.28 -3.55 -0.14 0.00 -1.51 0.00 0.00 37.83 32.35 3n7o s LYS 23 CO 0.34 -0.79 1.46 -2.30 -0.36 0.00 0.00 175.35 173.70 3n7o n PRO 24 N 5.49 1.97 -1.08 4.03 -0.02 -1.26 -1.50 135.00 142.63 3n7o n PRO 24 Ca 0.17 0.71 -0.03 0.00 -2.02 0.00 0.00 63.50 62.33 3n7o n PRO 24 Cb 0.39 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.45 3n7o n PRO 24 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3n7o n HIS 25 N 2.57 0.00 1.10 6.00 8.25 -1.26 -4.85 115.22 127.01 3n7o n HIS 25 Ca 0.15 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.74 3n7o n HIS 25 Cb 0.29 -1.40 0.64 0.00 1.12 0.00 0.00 29.99 30.64 3n7o n HIS 25 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3n7o n SER 26 N -0.43 0.00 -3.42 0.41 3.41 -0.56 -4.01 113.62 109.01 3n7o n SER 26 Ca -0.03 0.29 -0.26 0.00 -0.26 0.00 0.00 58.87 58.61 3n7o n SER 26 Cb 0.31 -0.43 -0.09 0.00 -0.26 0.00 0.00 64.21 63.75 3n7o n SER 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3n7o n ARG 27 N -1.43 1.68 0.00 4.33 1.74 -1.26 -4.98 116.66 116.74 3n7o n ARG 27 Ca 0.09 -4.09 0.09 0.00 -0.77 0.00 0.00 57.85 53.17 3n7o n ARG 27 Cb 0.29 -1.90 0.44 0.00 -1.02 0.00 0.00 32.46 30.26 3n7o n ARG 27 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3n7o n PRO 28 N 1.36 0.17 0.00 5.56 -0.02 -1.26 -1.56 135.00 139.25 3n7o n PRO 28 Ca 0.26 0.14 0.13 0.00 -2.02 0.00 0.00 63.50 62.01 3n7o n PRO 28 Cb 0.44 -1.50 0.42 0.00 -0.02 0.00 0.00 33.50 32.85 3n7o n PRO 28 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 3n7o n TYR 29 N -1.36 0.00 -2.08 6.00 0.18 -1.21 -1.70 117.16 116.99 3n7o n TYR 29 Ca 0.07 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.44 3n7o n TYR 29 Cb 0.17 -0.32 -0.03 0.00 -0.38 0.00 0.00 39.34 38.78 3n7o n TYR 29 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 3n7o s MET 30 N -2.92 4.30 -0.04 -3.48 -1.94 -0.60 -0.84 119.30 113.76 3n7o s MET 30 Ca 0.15 2.21 0.05 0.00 -1.71 0.00 0.00 55.69 56.38 3n7o s MET 30 Cb 0.18 -3.17 -0.02 0.00 2.01 0.00 0.00 34.83 33.84 3n7o s MET 30 CO 0.61 -0.42 -0.20 0.00 -0.01 0.00 0.00 175.02 175.00 3n7o s ALA 31 N 0.48 2.41 -0.20 3.03 0.00 0.09 -4.31 121.76 123.27 3n7o s ALA 31 Ca 0.62 -1.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.47 3n7o s ALA 31 Cb -0.40 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 3n7o s ALA 31 CO 0.37 0.51 0.05 -0.47 0.00 0.00 0.00 175.76 176.22 3n7o s TYR 32 N -0.55 3.18 -0.21 0.00 5.04 -0.58 -1.34 117.35 122.89 3n7o s TYR 32 Ca 0.08 -0.08 -0.06 0.00 -2.44 0.00 0.00 57.07 54.57 3n7o s TYR 32 Cb -0.11 -2.11 -0.03 0.00 0.35 0.00 0.00 41.96 40.07 3n7o s TYR 32 CO 0.01 0.01 0.02 -0.51 -1.34 0.00 0.00 175.55 173.73 3n7o s LEU 33 N 0.69 3.33 -0.25 6.97 1.02 0.11 -0.57 118.68 129.98 3n7o s LEU 33 Ca 0.03 -0.18 -0.10 0.00 0.02 0.00 0.00 54.13 53.90 3n7o s LEU 33 Cb -0.13 -1.86 -0.05 0.00 0.02 0.00 0.00 46.19 44.18 3n7o s LEU 33 CO 0.02 0.05 0.14 -1.61 0.02 0.00 0.00 176.35 174.97 3n7o s GLU 34 N 1.09 3.96 -0.13 1.70 2.02 -0.40 -1.95 118.70 124.99 3n7o s GLU 34 Ca 0.03 -0.33 0.02 0.00 0.02 0.00 0.00 54.97 54.71 3n7o s GLU 34 Cb -0.14 -3.50 0.01 0.00 0.10 0.00 0.00 34.13 30.60 3n7o s GLU 34 CO 0.02 -0.02 -0.20 0.42 0.02 0.00 0.00 175.26 175.50 3n7o s ILE 35 N 1.27 1.86 -0.38 -1.63 1.01 -0.04 -1.32 121.20 121.98 3n7o s ILE 35 Ca 0.07 -0.86 -0.20 0.00 0.00 0.00 0.00 60.65 59.66 3n7o s ILE 35 Cb -0.14 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 40.67 3n7o s ILE 35 CO 0.06 0.51 0.59 -0.69 0.00 0.00 0.00 174.94 175.41 3n7o s VAL 36 N 0.87 4.93 0.82 2.92 1.01 -0.21 -0.92 120.40 129.82 3n7o s VAL 36 Ca -0.07 0.34 -0.11 0.00 0.00 0.00 0.00 61.98 62.14 3n7o s VAL 36 Cb -0.15 -4.07 0.09 0.00 0.00 0.00 0.00 36.38 32.25 3n7o s VAL 36 CO -0.02 -0.35 1.09 0.42 0.00 0.00 0.00 175.10 176.24 3n7o s THR 36 N 2.60 3.05 0.28 3.92 -4.23 -0.94 0.82 115.64 121.13 3n7o s THR 36 Ca 0.21 0.34 0.01 0.00 -1.18 0.00 0.00 61.69 61.08 3n7o s THR 36 Cb -0.15 -2.90 0.26 0.00 1.34 0.00 0.00 72.50 71.06 3n7o s THR 36 CO 0.15 -0.44 1.76 0.28 -0.54 0.00 0.00 174.62 175.83 3n7o h SER 36 N -1.27 0.56 0.67 3.99 0.02 -1.89 -0.88 113.55 114.75 3n7o h SER 36 Ca -0.47 0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.51 3n7o h SER 36 Cb 1.26 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 3n7o h SER 36 CO 0.55 0.21 -0.36 0.78 -1.14 0.00 0.00 176.83 176.86 3n7o h ASN 36 N 0.63 0.00 0.00 3.07 2.35 -2.02 -3.48 115.58 116.13 3n7o h ASN 36 Ca 0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.25 3n7o h ASN 36 Cb 0.76 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.13 3n7o h ASN 36 CO -0.39 0.36 0.00 0.61 -1.65 0.00 0.00 177.43 176.37 3n7o n GLY 37 N -0.02 3.74 3.73 2.83 0.00 -0.34 -5.11 105.19 110.03 3n7o n GLY 37 Ca -0.01 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 3n7o n GLY 37 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3n7o n PRO 38 N 0.00 1.99 -3.01 1.61 -0.02 -1.26 -4.27 135.00 130.04 3n7o n PRO 38 Ca 0.00 0.71 -0.30 0.00 -2.02 0.00 0.00 63.50 61.89 3n7o n PRO 38 Cb 0.00 -2.53 -0.04 0.00 -0.02 0.00 0.00 33.50 30.92 3n7o n PRO 38 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3n7o s SER 39 N -0.60 6.55 0.04 2.55 1.04 -1.26 -2.22 113.70 119.80 3n7o s SER 39 Ca 0.64 1.08 -0.01 0.00 0.48 0.00 0.00 55.95 58.13 3n7o s SER 39 Cb -0.46 -2.30 -0.03 0.00 0.10 0.00 0.00 66.02 63.33 3n7o s SER 39 CO 0.56 -0.32 -0.01 -0.75 0.98 0.00 0.00 173.24 173.69 3n7o s LYS 40 N -3.61 0.50 0.14 4.02 2.20 -0.10 -4.94 119.74 117.95 3n7o s LYS 40 Ca 0.50 -0.94 0.08 0.00 -0.36 0.00 0.00 55.97 55.26 3n7o s LYS 40 Cb -0.10 0.18 -0.04 0.00 -1.51 0.00 0.00 37.83 36.35 3n7o s LYS 40 CO 0.28 -0.09 -0.18 -0.59 -0.36 0.00 0.00 175.35 174.41 3n7o s PHE 41 N -2.85 1.76 0.19 4.03 -0.71 -1.26 -0.86 117.98 118.27 3n7o s PHE 41 Ca -0.03 -0.47 -0.06 0.00 -1.04 0.00 0.00 56.93 55.33 3n7o s PHE 41 Cb 0.00 -0.90 -0.02 0.00 -1.21 0.00 0.00 43.02 40.89 3n7o s PHE 41 CO -0.06 0.28 0.25 0.00 -1.34 0.00 0.00 175.22 174.34 3n7o s GLY 43 N -3.04 1.79 0.06 0.00 0.00 0.71 -0.71 107.32 106.12 3n7o s GLY 43 Ca 0.25 -1.58 -0.14 0.00 0.00 0.00 0.00 44.72 43.25 3n7o s GLY 43 CO 0.05 -1.15 0.66 0.61 0.00 0.00 0.00 173.10 173.28 3n7o n GLY 44 N -2.57 0.70 3.24 0.20 0.00 -0.45 -3.84 105.19 102.47 3n7o n GLY 44 Ca 0.12 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 3n7o n GLY 44 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3n7o s PHE 45 N -3.24 -0.30 -0.09 1.61 -0.71 -0.06 -0.73 117.98 114.45 3n7o s PHE 45 Ca 0.15 0.66 -0.30 0.00 -1.04 0.00 0.00 56.93 56.41 3n7o s PHE 45 Cb -0.01 0.12 -0.02 0.00 -1.21 0.00 0.00 43.02 41.90 3n7o s PHE 45 CO 0.02 -0.27 1.10 -1.17 -1.34 0.00 0.00 175.22 173.56 3n7o s LEU 46 N -0.43 4.25 -0.01 -1.99 2.96 -0.02 -0.40 118.68 123.03 3n7o s LEU 46 Ca -0.06 1.64 0.05 0.00 -0.22 0.00 0.00 54.13 55.55 3n7o s LEU 46 Cb -0.04 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.03 3n7o s LEU 46 CO 0.02 -0.52 0.09 2.30 -1.32 0.00 0.00 176.35 176.92 3n7o n ILE 47 N 4.64 0.05 -4.18 6.68 -5.35 -0.42 -1.17 119.36 119.60 3n7o n ILE 47 Ca 0.10 -0.12 -0.11 0.00 -0.27 0.00 0.00 62.75 62.35 3n7o n ILE 47 Cb 0.47 0.20 -0.10 0.00 -1.74 0.00 0.00 39.64 38.47 3n7o n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3n7o s ARG 48 N -2.30 1.05 0.49 6.28 1.81 -1.10 -4.70 118.95 120.48 3n7o s ARG 48 Ca -0.02 -1.52 0.20 0.00 -1.72 0.00 0.00 55.73 52.67 3n7o s ARG 48 Cb 0.03 0.15 1.24 0.00 -0.45 0.00 0.00 34.95 35.92 3n7o s ARG 48 CO 0.20 -0.28 2.01 0.00 -0.68 0.00 0.00 175.30 176.54 3n7o h ARG 49 N 2.75 0.15 0.00 3.54 3.08 -1.96 -2.53 114.38 119.42 3n7o h ARG 49 Ca -0.36 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.68 3n7o h ARG 49 Cb 1.22 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 3n7o h ARG 49 CO 0.58 0.10 -0.24 0.27 -1.07 0.00 0.00 179.97 179.61 3n7o n ASN 50 N -4.44 2.02 -3.87 7.04 6.94 -1.26 -0.83 115.26 120.86 3n7o n ASN 50 Ca 0.08 -3.42 -0.19 0.00 -0.02 0.00 0.00 54.58 51.04 3n7o n ASN 50 Cb 0.46 -0.47 -0.16 0.00 -2.36 0.00 0.00 39.78 37.25 3n7o n ASN 50 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 3n7o s PHE 51 N -2.96 0.58 -0.05 -2.53 0.08 -0.95 -0.78 117.98 111.36 3n7o s PHE 51 Ca 0.34 -0.12 0.03 0.00 0.12 0.00 0.00 56.93 57.30 3n7o s PHE 51 Cb 0.32 -0.54 -0.03 0.00 -0.57 0.00 0.00 43.02 42.20 3n7o s PHE 51 CO -0.02 -0.15 -0.13 0.08 -0.10 0.00 0.00 175.22 174.90 3n7o s VAL 52 N 0.85 3.18 -0.09 -0.44 1.01 -0.24 -1.30 120.40 123.36 3n7o s VAL 52 Ca -0.10 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 3n7o s VAL 52 Cb -0.13 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 3n7o s VAL 52 CO -0.00 0.58 0.06 -0.22 0.00 0.00 0.00 175.10 175.52 3n7o s LEU 53 N -0.78 3.90 0.00 3.92 2.96 0.47 -0.46 118.68 128.68 3n7o s LEU 53 Ca 0.12 0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 54.25 3n7o s LEU 53 Cb -0.11 -1.95 0.02 0.00 0.50 0.00 0.00 46.19 44.65 3n7o s LEU 53 CO 0.01 0.38 0.20 1.07 -1.32 0.00 0.00 176.35 176.69 3n7o n THR 54 N 2.00 0.00 -3.26 3.68 5.66 -0.49 -0.88 114.28 120.99 3n7o n THR 54 Ca -0.19 -0.26 -0.36 0.00 -3.05 0.00 0.00 64.05 60.19 3n7o n THR 54 Cb 0.54 0.25 -0.06 0.00 -1.55 0.00 0.00 70.33 69.52 3n7o n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3n7o s ALA 55 N -1.28 3.54 0.42 1.79 0.00 -1.26 -1.22 121.76 123.74 3n7o s ALA 55 Ca 0.04 -0.00 0.17 0.00 0.00 0.00 0.00 51.96 52.16 3n7o s ALA 55 Cb -0.01 -2.63 1.03 0.00 0.00 0.00 0.00 23.12 21.50 3n7o s ALA 55 CO 0.03 0.41 1.97 0.00 0.00 0.00 0.00 175.76 178.16 3n7o h ALA 56 N 3.79 1.53 0.00 0.00 0.00 -1.71 -2.43 119.26 120.44 3n7o h ALA 56 Ca -0.49 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3n7o h ALA 56 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3n7o h ALA 56 CO 0.65 0.27 0.00 -2.39 0.00 0.00 0.00 179.25 177.78 3n7o n HIS 57 N -4.12 0.00 0.78 0.00 1.44 -1.26 -1.84 115.22 110.22 3n7o n HIS 57 Ca -0.02 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.77 3n7o n HIS 57 Cb 0.28 -0.18 0.24 0.00 0.12 0.00 0.00 29.99 30.46 3n7o n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3n7o s ALA 59 N -1.53 2.39 0.00 0.00 0.00 -0.76 -4.93 121.76 116.93 3n7o s ALA 59 Ca 0.30 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.79 3n7o s ALA 59 Cb 0.16 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.96 3n7o s ALA 59 CO 0.22 -1.42 0.00 0.41 0.00 0.00 0.00 175.76 174.97 3n7o n GLY 60 N -0.54 2.13 0.22 0.00 0.00 -1.26 -4.85 105.19 100.88 3n7o n GLY 60 Ca 0.10 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 45.05 3n7o n GLY 60 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3n7o h ARG 61 N 0.00 0.53 -2.87 1.61 2.43 0.23 -3.46 114.38 112.85 3n7o h ARG 61 Ca 0.00 -0.31 -0.08 0.00 -0.81 0.00 0.00 59.98 58.78 3n7o h ARG 61 Cb 0.00 0.02 -0.18 0.00 -0.42 0.00 0.00 29.97 29.40 3n7o h ARG 61 CO 0.00 0.90 -0.10 -1.54 -1.51 0.00 0.00 179.97 177.72 3n7o s SER 63 N -6.89 -0.32 -0.00 -3.80 1.04 -1.12 -5.01 113.70 97.59 3n7o s SER 63 Ca -0.07 0.13 -0.00 0.00 0.48 0.00 0.00 55.95 56.49 3n7o s SER 63 Cb 0.12 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3n7o s SER 63 CO 0.83 -0.61 0.01 -0.63 0.98 0.00 0.00 173.24 173.82 3n7o s ILE 64 N -2.02 -0.00 -0.04 -1.02 1.01 -1.26 -1.05 121.20 116.81 3n7o s ILE 64 Ca -0.08 0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.65 3n7o s ILE 64 Cb -0.02 -0.03 -0.01 0.00 0.01 0.00 0.00 42.46 42.41 3n7o s ILE 64 CO 0.01 0.01 -0.25 -0.89 0.00 0.00 0.00 174.94 173.81 3n7o s THR 65 N 0.07 2.03 -0.09 2.92 2.01 -0.43 -1.70 115.64 120.45 3n7o s THR 65 Ca -0.01 -1.07 -0.00 0.00 0.31 0.00 0.00 61.69 60.92 3n7o s THR 65 Cb -0.01 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 3n7o s THR 65 CO -0.00 0.57 -0.06 0.68 -0.69 0.00 0.00 174.62 175.12 3n7o s VAL 66 N -0.33 3.75 -0.23 3.82 -7.23 0.20 -1.27 120.40 119.11 3n7o s VAL 66 Ca 0.02 -0.45 -0.03 0.00 -1.81 0.00 0.00 61.98 59.71 3n7o s VAL 66 Cb -0.12 -2.56 0.01 0.00 0.56 0.00 0.00 36.38 34.27 3n7o s VAL 66 CO 0.02 0.58 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.44 3n7o s THR 67 N -0.58 3.15 0.17 5.32 2.01 0.26 -0.73 115.64 125.26 3n7o s THR 67 Ca 0.09 -0.70 0.05 0.00 0.31 0.00 0.00 61.69 61.44 3n7o s THR 67 Cb -0.12 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 3n7o s THR 67 CO 0.02 0.34 0.14 -0.76 -0.69 0.00 0.00 174.62 173.67 3n7o s LEU 68 N 1.42 3.80 -0.06 4.42 1.43 0.06 -1.53 118.68 128.22 3n7o s LEU 68 Ca 0.04 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 3n7o s LEU 68 Cb -0.15 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.67 3n7o s LEU 68 CO -0.04 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.21 3n7o n GLY 69 N -0.44 0.47 3.91 -3.19 0.00 -1.26 -1.16 105.19 103.53 3n7o n GLY 69 Ca -0.08 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 3n7o n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n7o s ALA 70 N -1.99 3.75 0.04 4.61 0.00 -1.26 -4.16 121.76 122.75 3n7o s ALA 70 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.28 3n7o s ALA 70 Cb 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.99 3n7o s ALA 70 CO 0.00 0.41 0.00 1.58 0.00 0.00 0.00 175.76 177.75 3n7o n HIS 71 N -0.61 -0.16 -2.93 0.00 -0.00 -1.26 -4.67 115.22 105.59 3n7o n HIS 71 Ca -0.03 0.03 -0.43 0.00 0.46 0.00 0.00 57.72 57.75 3n7o n HIS 71 Cb 0.53 0.11 -0.05 0.00 -0.12 0.00 0.00 29.99 30.47 3n7o n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 3n7o s ASN 72 N -5.08 6.48 0.00 0.26 3.84 -1.26 -1.83 114.94 117.36 3n7o s ASN 72 Ca 0.00 0.11 0.26 0.00 0.21 0.00 0.00 52.86 53.43 3n7o s ASN 72 Cb 0.00 -2.40 1.23 0.00 -0.55 0.00 0.00 41.25 39.52 3n7o s ASN 72 CO 0.00 -0.88 1.85 0.00 -2.79 0.00 0.00 177.10 175.28 3n7o n ILE 73 N 6.08 0.20 1.22 -5.21 0.13 0.49 -2.18 119.36 120.09 3n7o n ILE 73 Ca 0.03 0.05 0.13 0.00 -1.10 0.00 0.00 62.75 61.86 3n7o n ILE 73 Cb 0.48 -0.62 0.30 0.00 -0.84 0.00 0.00 39.64 38.97 3n7o n ILE 73 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 3n7o n THR 74 N -1.36 0.02 -3.60 9.51 -2.24 -1.26 -4.85 114.28 110.50 3n7o n THR 74 Ca 0.10 -0.39 -0.23 0.00 -2.27 0.00 0.00 64.05 61.26 3n7o n THR 74 Cb 0.24 1.00 -0.16 0.00 -2.10 0.00 0.00 70.33 69.31 3n7o n THR 74 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3n7o s GLU 75 N -1.98 0.07 0.54 -0.78 2.12 -0.93 -5.13 118.70 112.61 3n7o s GLU 75 Ca 0.33 0.05 -0.21 0.00 0.36 0.00 0.00 54.97 55.50 3n7o s GLU 75 Cb 0.20 -1.50 -0.05 0.00 0.26 0.00 0.00 34.13 33.05 3n7o s GLU 75 CO 0.32 -0.61 1.24 -2.00 -0.54 0.00 0.00 175.26 173.67 3n7o s GLU 77 N 2.19 3.25 0.26 4.30 2.12 -1.26 -4.68 118.70 124.87 3n7o s GLU 77 Ca 0.03 1.94 0.04 0.00 0.36 0.00 0.00 54.97 57.34 3n7o s GLU 77 Cb -0.15 -2.17 -0.06 0.00 0.26 0.00 0.00 34.13 32.01 3n7o s GLU 77 CO -0.09 -1.01 0.01 -1.21 -0.54 0.00 0.00 175.26 172.42 3n7o s GLU 78 N -3.01 1.44 0.00 4.30 2.02 -1.26 -5.04 118.70 117.15 3n7o s GLU 78 Ca 0.72 -1.75 0.22 0.00 0.02 0.00 0.00 54.97 54.17 3n7o s GLU 78 Cb -0.33 -0.74 1.06 0.00 0.10 0.00 0.00 34.13 34.22 3n7o s GLU 78 CO 0.38 -0.11 1.70 -0.25 0.02 0.00 0.00 175.26 177.00 3n7o n ASP 79 N -0.51 0.00 0.10 -0.19 8.00 -1.26 -1.97 116.55 120.73 3n7o n ASP 79 Ca -0.04 0.10 0.13 0.00 0.71 0.00 0.00 54.79 55.69 3n7o n ASP 79 Cb 0.64 -0.34 0.41 0.00 -0.02 0.00 0.00 41.12 41.81 3n7o n ASP 79 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3n7o n THR 79 N -1.34 0.59 -1.95 -3.53 -2.24 -1.26 -4.92 114.28 99.64 3n7o n THR 79 Ca 0.09 -0.28 -0.41 0.00 -2.27 0.00 0.00 64.05 61.18 3n7o n THR 79 Cb 0.19 -0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 67.82 3n7o n THR 79 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 3n7o s TRP 80 N -3.10 2.85 -0.17 4.78 0.52 -0.83 -4.38 118.94 118.61 3n7o s TRP 80 Ca 0.11 1.18 -0.02 0.00 0.02 0.00 0.00 56.10 57.39 3n7o s TRP 80 Cb 0.12 -3.87 0.05 0.00 -1.15 0.00 0.00 33.47 28.62 3n7o s TRP 80 CO 0.60 -2.60 -0.00 -0.65 0.02 0.00 0.00 176.95 174.31 3n7o s GLN 81 N -1.48 0.96 -0.26 4.98 -0.21 -0.31 -4.99 119.66 118.36 3n7o s GLN 81 Ca 0.54 -0.42 -0.07 0.00 0.02 0.00 0.00 55.36 55.43 3n7o s GLN 81 Cb -0.43 -1.95 -0.02 0.00 1.00 0.00 0.00 33.01 31.60 3n7o s GLN 81 CO 0.54 -0.53 0.07 0.21 -2.12 0.00 0.00 175.29 173.46 3n7o s LYS 82 N 1.77 3.54 -0.02 2.91 2.20 -1.26 -0.76 119.74 128.12 3n7o s LYS 82 Ca -0.00 -0.55 0.04 0.00 -0.36 0.00 0.00 55.97 55.10 3n7o s LYS 82 Cb -0.16 -3.32 -0.01 0.00 -1.51 0.00 0.00 37.83 32.83 3n7o s LYS 82 CO -0.07 -0.24 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.02 3n7o s LEU 83 N 1.59 1.97 0.42 5.43 1.43 0.10 -4.97 118.68 124.65 3n7o s LEU 83 Ca 0.06 -0.30 -0.23 0.00 -1.03 0.00 0.00 54.13 52.63 3n7o s LEU 83 Cb -0.15 -0.83 -0.09 0.00 0.03 0.00 0.00 46.19 45.14 3n7o s LEU 83 CO 0.03 0.17 1.03 -1.61 0.23 0.00 0.00 176.35 176.20 3n7o s GLU 84 N -0.19 4.10 -0.14 1.70 2.02 -1.26 -0.63 118.70 124.31 3n7o s GLU 84 Ca 0.02 1.43 -0.22 0.00 0.02 0.00 0.00 54.97 56.22 3n7o s GLU 84 Cb -0.08 -2.41 -0.03 0.00 0.10 0.00 0.00 34.13 31.71 3n7o s GLU 84 CO 0.00 -0.18 0.66 0.08 0.02 0.00 0.00 175.26 175.84 3n7o s VAL 85 N -1.78 5.03 -0.14 2.63 1.01 -0.69 -0.46 120.40 126.01 3n7o s VAL 85 Ca 0.60 1.31 0.18 0.00 0.00 0.00 0.00 61.98 64.07 3n7o s VAL 85 Cb -0.19 -3.99 -0.13 0.00 0.00 0.00 0.00 36.38 32.07 3n7o s VAL 85 CO 0.24 0.17 0.80 0.00 0.00 0.00 0.00 175.10 176.31 3n7o n ILE 86 N 4.26 1.03 -3.69 2.22 0.13 0.21 -4.72 119.36 118.81 3n7o n ILE 86 Ca -0.01 -0.66 -0.13 0.00 -1.10 0.00 0.00 62.75 60.84 3n7o n ILE 86 Cb 0.50 -0.61 -0.09 0.00 -0.84 0.00 0.00 39.64 38.61 3n7o n ILE 86 CO 0.00 0.00 0.00 -0.75 2.80 0.00 0.00 176.55 178.60 3n7o s LYS 87 N -3.01 0.61 -0.14 9.51 2.20 -1.18 -5.01 119.74 122.72 3n7o s LYS 87 Ca -0.03 0.78 -0.05 0.00 -0.36 0.00 0.00 55.97 56.31 3n7o s LYS 87 Cb 0.09 0.27 -0.03 0.00 -1.51 0.00 0.00 37.83 36.64 3n7o s LYS 87 CO 0.82 -0.09 0.01 -0.65 -0.36 0.00 0.00 175.35 175.08 3n7o s GLN 88 N 0.46 3.59 -0.58 4.03 -0.21 -1.26 -1.08 119.66 124.61 3n7o s GLN 88 Ca -0.01 -0.42 0.04 0.00 0.02 0.00 0.00 55.36 54.99 3n7o s GLN 88 Cb -0.04 -3.00 0.14 0.00 1.00 0.00 0.00 33.01 31.11 3n7o s GLN 88 CO -0.02 0.39 0.33 -0.06 -2.12 0.00 0.00 175.29 173.82 3n7o s PHE 89 N -0.01 3.30 0.36 0.91 0.08 0.46 -5.01 117.98 118.07 3n7o s PHE 89 Ca 0.04 -3.22 -0.27 0.00 0.12 0.00 0.00 56.93 53.60 3n7o s PHE 89 Cb -0.13 -2.80 -0.09 0.00 -0.57 0.00 0.00 43.02 39.44 3n7o s PHE 89 CO 0.02 -0.68 1.14 1.03 -0.10 0.00 0.00 175.22 176.62 3n7o s ARG 90 N -0.64 4.27 0.17 0.44 0.52 -1.26 -1.66 118.95 120.79 3n7o s ARG 90 Ca 0.19 1.80 -0.33 0.00 -0.52 0.00 0.00 55.73 56.87 3n7o s ARG 90 Cb -0.20 -2.84 -0.15 0.00 0.52 0.00 0.00 34.95 32.29 3n7o s ARG 90 CO -0.05 -0.12 1.36 1.58 0.02 0.00 0.00 175.30 178.10 3n7o n HIS 91 N 0.44 1.83 0.29 -0.53 -0.00 -0.58 -4.84 115.22 111.83 3n7o n HIS 91 Ca 0.02 0.50 0.17 0.00 -0.00 0.00 0.00 57.72 58.42 3n7o n HIS 91 Cb 0.46 -2.40 0.95 0.00 -0.00 0.00 0.00 29.99 29.00 3n7o n HIS 91 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3n7o h PRO 92 N 4.42 0.00 -0.34 1.57 0.11 -1.92 -1.76 132.00 134.08 3n7o h PRO 92 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3n7o h PRO 92 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3n7o h PRO 92 CO 0.77 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.19 3n7o n LYS 93 N -3.68 2.39 -1.45 1.05 5.02 -1.26 -4.98 118.16 115.25 3n7o n LYS 93 Ca -0.02 -2.10 -0.57 0.00 -2.02 0.00 0.00 58.31 53.61 3n7o n LYS 93 Cb 0.13 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.57 3n7o n LYS 93 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3n7o n TYR 94 N 1.32 1.05 -3.72 2.13 9.36 -0.67 -4.76 117.16 121.88 3n7o n TYR 94 Ca 0.19 0.99 -0.27 0.00 3.32 0.00 0.00 57.90 62.12 3n7o n TYR 94 Cb 0.57 -1.93 -0.17 0.00 -0.63 0.00 0.00 39.34 37.18 3n7o n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3n7o s ASN 95 N 1.29 2.81 0.00 2.98 3.84 -0.85 -5.00 114.94 120.00 3n7o s ASN 95 Ca 0.87 -0.78 0.25 0.00 0.21 0.00 0.00 52.86 53.42 3n7o s ASN 95 Cb -1.24 -0.55 1.22 0.00 -0.55 0.00 0.00 41.25 40.13 3n7o s ASN 95 CO 0.62 -0.31 1.83 0.35 -2.79 0.00 0.00 177.10 176.80 3n7o n THR 96 N 5.08 0.22 0.01 -5.21 -2.24 -1.26 -0.05 114.28 110.83 3n7o n THR 96 Ca -0.09 0.06 -0.22 0.00 -2.27 0.00 0.00 64.05 61.53 3n7o n THR 96 Cb 0.47 -0.64 -0.14 0.00 -2.10 0.00 0.00 70.33 67.93 3n7o n THR 96 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3n7o h SER 97 N 0.00 0.39 0.21 3.42 0.02 -1.97 -3.39 113.55 112.23 3n7o h SER 97 Ca 0.00 -0.86 0.00 0.00 -0.84 0.00 0.00 61.79 60.09 3n7o h SER 97 Cb 0.29 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3n7o h SER 97 CO 0.00 1.65 -1.51 0.35 -1.14 0.00 0.00 176.83 176.18 3n7o n THR 98 N -3.88 0.11 -1.20 -2.27 -2.24 -1.19 -4.96 114.28 98.65 3n7o n THR 98 Ca -0.26 -0.37 -0.07 0.00 -2.27 0.00 0.00 64.05 61.09 3n7o n THR 98 Cb 0.92 0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 3n7o n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3n7o n LEU 99 N -2.12 -0.34 -4.86 3.22 4.77 0.93 -4.84 117.00 113.76 3n7o n LEU 99 Ca -0.01 0.17 -0.31 0.00 -0.03 0.00 0.00 56.01 55.83 3n7o n LEU 99 Cb 0.50 -1.59 -0.01 0.00 -2.33 0.00 0.00 43.42 39.99 3n7o n LEU 99 CO 0.44 -0.52 0.70 -1.00 -1.33 0.00 0.00 177.39 175.68 3n7o s HIS 100 N -2.10 3.56 -0.93 -1.77 3.76 -1.20 -4.33 115.29 112.28 3n7o s HIS 100 Ca 0.00 1.35 -0.05 0.00 -0.15 0.00 0.00 55.06 56.21 3n7o s HIS 100 Cb 0.00 -2.74 0.01 0.00 1.11 0.00 0.00 32.58 30.96 3n7o s HIS 100 CO 0.00 -0.56 0.80 0.72 -0.85 0.00 0.00 174.74 174.86 3n7o n HIS 101 N -2.29 -1.91 -2.38 1.40 8.25 -1.26 -2.02 115.22 115.01 3n7o n HIS 101 Ca 0.06 0.70 -0.43 0.00 -0.26 0.00 0.00 57.72 57.80 3n7o n HIS 101 Cb 0.54 -3.94 0.00 0.00 1.12 0.00 0.00 29.99 27.71 3n7o n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3n7o n ASP 102 N -1.91 4.73 -3.73 0.41 2.03 -1.26 -4.22 116.55 112.60 3n7o n ASP 102 Ca -0.05 -2.94 -0.13 0.00 0.52 0.00 0.00 54.79 52.19 3n7o n ASP 102 Cb 0.56 -1.64 -0.10 0.00 -0.72 0.00 0.00 41.12 39.22 3n7o n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3n7o s ILE 103 N 2.76 0.01 -0.16 5.18 2.07 -1.26 -3.78 121.20 126.03 3n7o s ILE 103 Ca 0.47 -0.10 -0.13 0.00 -1.41 0.00 0.00 60.65 59.48 3n7o s ILE 103 Cb 0.06 -0.59 0.04 0.00 0.13 0.00 0.00 42.46 42.10 3n7o s ILE 103 CO 0.00 -0.06 0.41 -0.32 -1.91 0.00 0.00 174.94 173.07 3n7o s MET 104 N -0.18 0.47 -0.10 3.50 -2.45 -0.36 -1.52 119.30 118.66 3n7o s MET 104 Ca -0.03 0.62 -0.05 0.00 -1.25 0.00 0.00 55.69 54.97 3n7o s MET 104 Cb -0.03 0.19 -0.04 0.00 1.25 0.00 0.00 34.83 36.20 3n7o s MET 104 CO 0.02 -0.08 0.12 -0.51 1.05 0.00 0.00 175.02 175.62 3n7o s LEU 105 N 0.44 4.24 -0.17 4.11 1.43 -0.67 -1.40 118.68 126.66 3n7o s LEU 105 Ca -0.02 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 3n7o s LEU 105 Cb -0.04 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 44.08 3n7o s LEU 105 CO -0.02 0.38 -0.16 -0.76 0.23 0.00 0.00 176.35 176.03 3n7o s LEU 106 N -1.15 2.40 -0.12 1.79 1.43 0.39 -0.40 118.68 123.01 3n7o s LEU 106 Ca 0.17 -0.53 -0.21 0.00 -1.03 0.00 0.00 54.13 52.52 3n7o s LEU 106 Cb -0.12 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 3n7o s LEU 106 CO 0.06 0.04 0.62 -0.75 0.23 0.00 0.00 176.35 176.55 3n7o s LYS 107 N 1.09 4.34 0.38 1.70 2.20 -0.24 -1.08 119.74 128.11 3n7o s LYS 107 Ca -0.00 0.68 -0.19 0.00 -0.36 0.00 0.00 55.97 56.10 3n7o s LYS 107 Cb -0.14 -3.49 -0.10 0.00 -1.51 0.00 0.00 37.83 32.59 3n7o s LYS 107 CO -0.05 -0.01 0.85 -0.51 -0.36 0.00 0.00 175.35 175.27 3n7o s LEU 108 N 1.13 4.02 0.36 5.43 1.43 0.04 -0.62 118.68 130.48 3n7o s LEU 108 Ca 0.32 1.52 0.06 0.00 -1.03 0.00 0.00 54.13 54.99 3n7o s LEU 108 Cb -0.16 -4.30 0.70 0.00 0.03 0.00 0.00 46.19 42.45 3n7o s LEU 108 CO 0.13 -0.28 1.92 0.50 0.23 0.00 0.00 176.35 178.86 3n7o h LYS 109 N 2.14 0.43 -4.95 1.70 3.64 -1.08 -3.43 116.57 115.02 3n7o h LYS 109 Ca -0.48 -0.08 -0.32 0.00 -1.27 0.00 0.00 60.65 58.49 3n7o h LYS 109 Cb 1.18 -0.07 -0.15 0.00 -0.41 0.00 0.00 32.23 32.78 3n7o h LYS 109 CO 0.63 0.46 -0.68 -1.21 -2.27 0.00 0.00 179.45 176.39 3n7o s GLU 110 N -4.97 1.15 0.13 1.90 2.02 -1.26 -5.00 118.70 112.66 3n7o s GLU 110 Ca -0.07 -1.54 -0.30 0.00 0.02 0.00 0.00 54.97 53.07 3n7o s GLU 110 Cb 0.16 -0.47 -0.06 0.00 0.10 0.00 0.00 34.13 33.85 3n7o s GLU 110 CO 0.75 -0.06 1.07 0.15 0.02 0.00 0.00 175.26 177.19 3n7o s LYS 111 N -3.85 4.60 0.64 1.61 1.02 -1.26 -4.68 119.74 117.82 3n7o s LYS 111 Ca 0.23 1.63 -0.16 0.00 0.02 0.00 0.00 55.97 57.69 3n7o s LYS 111 Cb 0.05 -3.33 -0.01 0.00 -0.52 0.00 0.00 37.83 34.02 3n7o s LYS 111 CO 0.04 0.06 1.12 0.00 -0.92 0.00 0.00 175.35 175.65 3n7o s ALA 112 N 0.11 2.50 -0.15 5.17 0.00 -0.01 -4.96 121.76 124.41 3n7o s ALA 112 Ca 0.50 0.62 -0.19 0.00 0.00 0.00 0.00 51.96 52.89 3n7o s ALA 112 Cb -0.27 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 3n7o s ALA 112 CO 0.32 -1.20 0.54 -1.12 0.00 0.00 0.00 175.76 174.30 3n7o s SER 113 N -2.39 6.68 -0.07 0.00 0.01 -1.26 -4.85 113.70 111.81 3n7o s SER 113 Ca 0.68 0.81 -0.30 0.00 1.31 0.00 0.00 55.95 58.46 3n7o s SER 113 Cb -0.22 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 3n7o s SER 113 CO 0.39 -0.12 1.35 -0.76 0.41 0.00 0.00 173.24 174.51 3n7o s LEU 114 N 1.18 4.27 0.00 2.44 1.43 -1.26 -4.76 118.68 121.98 3n7o s LEU 114 Ca 0.27 1.94 0.04 0.00 -1.03 0.00 0.00 54.13 55.35 3n7o s LEU 114 Cb -0.16 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 3n7o s LEU 114 CO 0.11 -0.73 0.14 0.35 0.23 0.00 0.00 176.35 176.45 3n7o n THR 115 N 4.97 0.00 0.13 5.49 -2.24 0.25 -4.98 114.28 117.90 3n7o n THR 115 Ca 0.13 -1.44 0.02 0.00 -2.27 0.00 0.00 64.05 60.49 3n7o n THR 115 Cb 0.44 0.66 0.36 0.00 -2.10 0.00 0.00 70.33 69.69 3n7o n THR 115 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3n7o h LEU 116 N 0.00 0.19 0.00 3.22 5.85 -1.99 -2.95 115.31 119.62 3n7o h LEU 116 Ca -0.15 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3n7o h LEU 116 Cb 0.72 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3n7o h LEU 116 CO 0.23 0.42 -0.80 0.00 -0.34 0.00 0.00 178.44 177.96 3n7o n ALA 117 N -2.48 3.44 -3.79 1.25 0.00 -1.26 -4.81 120.51 112.85 3n7o n ALA 117 Ca -0.01 -0.37 -0.25 0.00 0.00 0.00 0.00 53.44 52.81 3n7o n ALA 117 Cb 0.32 -1.04 -0.17 0.00 0.00 0.00 0.00 19.45 18.56 3n7o n ALA 117 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3n7o s VAL 118 N -3.12 0.59 0.28 0.00 1.01 -1.11 -4.02 120.40 114.03 3n7o s VAL 118 Ca 0.07 -0.21 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 3n7o s VAL 118 Cb 0.15 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.71 3n7o s VAL 118 CO 0.76 0.13 0.48 -0.83 0.00 0.00 0.00 175.10 175.64 3n7o s GLY 119 N 1.87 0.85 0.26 4.51 0.00 -0.69 -0.58 107.32 113.54 3n7o s GLY 119 Ca 0.03 -1.10 0.01 0.00 0.00 0.00 0.00 44.72 43.66 3n7o s GLY 119 CO -0.07 -0.75 0.44 -0.51 0.00 0.00 0.00 173.10 172.21 3n7o s THR 120 N -3.61 5.18 -0.20 0.90 -4.23 -1.26 -3.30 115.64 109.12 3n7o s THR 120 Ca 0.25 -0.54 -0.05 0.00 -1.18 0.00 0.00 61.69 60.17 3n7o s THR 120 Cb -0.01 -3.81 -0.02 0.00 1.34 0.00 0.00 72.50 70.01 3n7o s THR 120 CO 0.13 -0.35 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.63 3n7o s LEU 121 N -3.83 3.19 0.61 4.79 2.96 -0.32 -4.84 118.68 121.25 3n7o s LEU 121 Ca 0.38 -0.23 -0.16 0.00 -0.22 0.00 0.00 54.13 53.90 3n7o s LEU 121 Cb -0.10 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 3n7o s LEU 121 CO 0.31 0.05 1.09 -2.16 -1.32 0.00 0.00 176.35 174.33 3n7o s PRO 122 N 1.05 3.13 0.42 0.98 0.04 -1.26 -4.72 135.00 134.64 3n7o s PRO 122 Ca 0.02 1.34 -0.00 0.00 0.04 0.00 0.00 61.00 62.40 3n7o s PRO 122 Cb -0.14 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 3n7o s PRO 122 CO 0.01 -0.98 0.64 -0.06 0.04 0.00 0.00 177.00 176.66 3n7o s PHE 123 N -2.29 3.37 0.39 0.56 0.08 -1.26 -2.68 117.98 116.15 3n7o s PHE 123 Ca 0.66 0.35 -0.02 0.00 0.12 0.00 0.00 56.93 58.05 3n7o s PHE 123 Cb -0.19 -2.16 0.08 0.00 -0.57 0.00 0.00 43.02 40.18 3n7o s PHE 123 CO 0.37 -0.18 0.53 -0.35 -0.10 0.00 0.00 175.22 175.49 3n7o n PRO 124 N -2.00 0.10 0.00 0.24 -0.05 -1.26 -4.88 135.00 127.14 3n7o n PRO 124 Ca -0.01 -1.30 0.00 0.00 -0.05 0.00 0.00 63.50 62.14 3n7o n PRO 124 Cb 0.57 -0.39 0.00 0.00 -0.05 0.00 0.00 33.50 33.63 3n7o n PRO 124 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 175.50 175.88 3n7o n SER 125 N -3.04 0.00 -3.59 3.54 7.64 -1.26 -5.09 113.62 111.82 3n7o n SER 125 Ca 0.08 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.70 3n7o n SER 125 Cb 0.29 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.33 3n7o n SER 125 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3n7o s PHE 129 N 0.00 0.21 -0.38 1.43 5.36 -1.26 -5.28 117.98 118.06 3n7o s PHE 129 Ca 0.00 -0.42 0.02 0.00 -0.96 0.00 0.00 56.93 55.57 3n7o s PHE 129 Cb 0.00 -0.73 0.11 0.00 -0.34 0.00 0.00 43.02 42.06 3n7o s PHE 129 CO 0.00 -0.58 0.13 0.54 -1.46 0.00 0.00 175.22 173.85 3n7o s VAL 130 N 2.13 1.70 0.63 3.12 0.11 -1.26 -5.13 120.40 121.70 3n7o s VAL 130 Ca 0.04 -2.23 -0.02 0.00 -2.93 0.00 0.00 61.98 56.84 3n7o s VAL 130 Cb -0.16 -2.23 0.06 0.00 -1.53 0.00 0.00 36.38 32.51 3n7o s VAL 130 CO -0.15 -0.71 0.89 -2.16 -3.33 0.00 0.00 175.10 169.63 3n7o s PRO 131 N 0.85 2.29 0.50 1.54 0.04 -1.26 -4.99 135.00 133.96 3n7o s PRO 131 Ca 0.13 -0.65 -0.21 0.00 0.04 0.00 0.00 61.00 60.31 3n7o s PRO 131 Cb -0.21 -2.36 -0.10 0.00 0.04 0.00 0.00 34.50 31.88 3n7o s PRO 131 CO -0.11 -1.00 0.63 -2.30 0.04 0.00 0.00 177.00 174.26 3n7o n PRO 132 N -2.61 0.69 0.00 0.56 -0.02 -1.26 -2.62 135.00 129.73 3n7o n PRO 132 Ca 0.09 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3n7o n PRO 132 Cb 0.60 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 3n7o n PRO 132 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3n7o n GLY 133 N 1.66 2.60 3.75 -1.23 0.00 0.20 -4.94 105.19 107.23 3n7o n GLY 133 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 3n7o n GLY 133 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n7o s ARG 134 N -0.15 3.19 -0.12 1.61 1.81 -1.08 -4.67 118.95 119.53 3n7o s ARG 134 Ca 0.00 2.09 -0.15 0.00 -1.72 0.00 0.00 55.73 55.95 3n7o s ARG 134 Cb 0.00 -2.21 -0.05 0.00 -0.45 0.00 0.00 34.95 32.24 3n7o s ARG 134 CO 0.00 -1.11 0.36 -1.64 -0.68 0.00 0.00 175.30 172.23 3n7o s MET 135 N -2.95 4.20 0.34 3.54 -1.94 -1.26 -0.95 119.30 120.28 3n7o s MET 135 Ca 0.72 0.23 0.05 0.00 -1.71 0.00 0.00 55.69 54.98 3n7o s MET 135 Cb -0.37 -3.39 -0.07 0.00 2.01 0.00 0.00 34.83 33.01 3n7o s MET 135 CO 0.43 0.30 0.04 0.00 -0.01 0.00 0.00 175.02 175.78 3n7o s ARG 137 N -3.84 1.36 -0.01 0.00 0.52 0.03 -0.40 118.95 116.61 3n7o s ARG 137 Ca 0.36 -0.89 0.02 0.00 -0.52 0.00 0.00 55.73 54.70 3n7o s ARG 137 Cb 0.09 -1.44 -0.01 0.00 0.52 0.00 0.00 34.95 34.11 3n7o s ARG 137 CO 0.16 0.37 -0.08 0.54 0.02 0.00 0.00 175.30 176.31 3n7o s VAL 138 N -0.77 0.65 0.16 3.52 0.11 -0.74 -0.55 120.40 122.79 3n7o s VAL 138 Ca 0.07 -0.34 0.11 0.00 -2.93 0.00 0.00 61.98 58.88 3n7o s VAL 138 Cb -0.09 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 3n7o s VAL 138 CO 0.01 0.18 -0.24 0.00 -3.33 0.00 0.00 175.10 171.73 3n7o s ALA 139 N -0.16 2.38 -0.04 1.54 0.00 -1.26 -1.31 121.76 122.91 3n7o s ALA 139 Ca 0.03 -1.54 -0.30 0.00 0.00 0.00 0.00 51.96 50.14 3n7o s ALA 139 Cb -0.04 -0.33 0.12 0.00 0.00 0.00 0.00 23.12 22.88 3n7o s ALA 139 CO -0.00 0.45 1.33 0.20 0.00 0.00 0.00 175.76 177.73 3n7o s GLY 140 N -2.40 -0.34 -0.17 0.00 0.00 -0.17 -4.71 107.32 99.53 3n7o s GLY 140 Ca 0.17 0.53 0.16 0.00 0.00 0.00 0.00 44.72 45.58 3n7o s GLY 140 CO 0.08 2.20 1.53 0.79 0.00 0.00 0.00 173.10 177.70 3n7o n TRP 141 N -0.65 1.30 -1.05 1.90 8.01 -1.26 -1.71 117.44 123.97 3n7o n TRP 141 Ca -0.04 -0.76 -0.29 0.00 -1.31 0.00 0.00 57.50 55.09 3n7o n TRP 141 Cb 0.62 -0.33 0.22 0.00 -2.01 0.00 0.00 31.31 29.80 3n7o n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3n7o s GLY 142 N -1.37 1.56 0.44 6.99 0.00 -1.25 -1.69 107.32 112.00 3n7o s GLY 142 Ca 0.45 -0.66 -0.24 0.00 0.00 0.00 0.00 44.72 44.27 3n7o s GLY 142 CO 0.14 0.11 1.09 0.54 0.00 0.00 0.00 173.10 174.98 3n7o n ARG 143 N -4.58 1.48 -0.34 2.90 1.74 0.42 -2.56 116.66 115.72 3n7o n ARG 143 Ca 0.09 0.53 0.12 0.00 -0.77 0.00 0.00 57.85 57.82 3n7o n ARG 143 Cb 0.58 -2.16 0.30 0.00 -1.02 0.00 0.00 32.46 30.17 3n7o n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3n7o n THR 144 N -0.52 0.89 0.00 0.55 -2.24 -1.22 -1.50 114.28 110.24 3n7o n THR 144 Ca 0.09 -0.94 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 3n7o n THR 144 Cb 0.40 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 3n7o n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n7o n GLY 145 N 1.64 0.34 0.38 3.38 0.00 -1.26 -4.61 105.19 105.05 3n7o n GLY 145 Ca 0.24 -0.86 -0.01 0.00 0.00 0.00 0.00 46.02 45.38 3n7o n GLY 145 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3n7o h VAL 146 N 0.08 1.24 -0.59 1.61 2.07 -1.91 -2.48 116.25 116.27 3n7o h VAL 146 Ca 0.00 -0.45 -0.35 0.00 0.82 0.00 0.00 66.70 66.72 3n7o h VAL 146 Cb 0.00 -0.19 -0.20 0.00 -1.52 0.00 0.00 31.29 29.37 3n7o h VAL 146 CO 0.00 0.24 0.08 0.18 0.02 0.00 0.00 177.57 178.09 3n7o n LEU 147 N -4.39 5.13 -4.59 2.57 4.77 -1.26 -4.99 117.00 114.23 3n7o n LEU 147 Ca 0.12 -3.93 -0.26 0.00 -0.03 0.00 0.00 56.01 51.90 3n7o n LEU 147 Cb 0.02 -0.68 -0.09 0.00 -2.33 0.00 0.00 43.42 40.34 3n7o n LEU 147 CO 0.37 1.36 -0.39 -0.54 -1.33 0.00 0.00 177.39 176.85 3n7o s LYS 148 N -3.37 2.12 0.83 3.23 -0.14 -0.93 -5.11 119.74 116.36 3n7o s LYS 148 Ca 0.50 -1.29 -0.12 0.00 -1.36 0.00 0.00 55.97 53.70 3n7o s LYS 148 Cb 0.43 -2.17 0.09 0.00 -1.68 0.00 0.00 37.83 34.51 3n7o s LYS 148 CO 0.02 0.42 1.15 -2.14 -0.76 0.00 0.00 175.35 174.04 3n7o s PRO 150 N -3.00 1.83 0.81 -1.68 0.02 -1.26 -4.56 135.00 127.17 3n7o s PRO 150 Ca 0.26 0.26 -0.13 0.00 0.02 0.00 0.00 61.00 61.40 3n7o s PRO 150 Cb -0.08 -1.92 0.07 0.00 0.02 0.00 0.00 34.50 32.59 3n7o s PRO 150 CO 0.16 -1.72 1.08 0.41 -0.33 0.00 0.00 177.00 176.61 3n7o n GLY 151 N -2.83 -0.30 3.74 0.52 0.00 -1.26 -3.44 105.19 101.63 3n7o n GLY 151 Ca 0.07 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 3n7o n GLY 151 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3n7o s SER 152 N -2.06 7.48 0.24 1.61 0.15 -0.68 -4.86 113.70 115.58 3n7o s SER 152 Ca 0.71 1.76 0.07 0.00 0.70 0.00 0.00 55.95 59.20 3n7o s SER 152 Cb -0.29 -2.56 0.24 0.00 -1.71 0.00 0.00 66.02 61.70 3n7o s SER 152 CO 0.53 0.03 1.55 -2.24 1.20 0.00 0.00 173.24 174.31 3n7o h ASP 153 N 5.10 0.13 -2.89 5.45 3.04 -1.93 -3.45 116.42 121.88 3n7o h ASP 153 Ca -0.44 -0.08 -0.62 0.00 -3.24 0.00 0.00 57.03 52.65 3n7o h ASP 153 Cb 1.21 -0.04 -0.04 0.00 -1.04 0.00 0.00 39.33 39.42 3n7o h ASP 153 CO 0.70 0.75 -0.49 0.42 -2.04 0.00 0.00 179.24 178.58 3n7o s THR 154 N -3.57 5.39 0.15 1.15 -4.23 -1.26 -0.38 115.64 112.90 3n7o s THR 154 Ca -0.02 -0.31 -0.31 0.00 -1.18 0.00 0.00 61.69 59.87 3n7o s THR 154 Cb 0.12 -3.61 -0.10 0.00 1.34 0.00 0.00 72.50 70.25 3n7o s THR 154 CO 0.79 0.19 1.68 -0.22 -0.54 0.00 0.00 174.62 176.51 3n7o s LEU 155 N -2.35 4.37 0.20 4.79 2.96 -0.76 -4.76 118.68 123.14 3n7o s LEU 155 Ca 0.33 2.70 0.09 0.00 -0.22 0.00 0.00 54.13 57.03 3n7o s LEU 155 Cb -0.13 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 3n7o s LEU 155 CO 0.25 -0.91 -0.09 -1.10 -1.32 0.00 0.00 176.35 173.18 3n7o s GLN 156 N 1.71 2.07 0.04 1.98 -1.52 -0.69 -1.12 119.66 122.13 3n7o s GLN 156 Ca 0.74 -1.33 0.00 0.00 -1.95 0.00 0.00 55.36 52.83 3n7o s GLN 156 Cb -0.45 -2.13 -0.03 0.00 -0.22 0.00 0.00 33.01 30.18 3n7o s GLN 156 CO 0.33 0.42 -0.04 -1.83 -0.25 0.00 0.00 175.29 173.91 3n7o s GLU 157 N -3.01 0.52 -0.01 2.91 -1.05 0.30 -1.00 118.70 117.35 3n7o s GLU 157 Ca 0.26 -0.95 -0.07 0.00 -0.15 0.00 0.00 54.97 54.06 3n7o s GLU 157 Cb -0.08 0.06 0.00 0.00 -0.44 0.00 0.00 34.13 33.67 3n7o s GLU 157 CO 0.16 -0.06 0.14 0.54 0.95 0.00 0.00 175.26 176.99 3n7o s VAL 158 N -2.65 0.07 -0.18 1.83 0.11 -0.43 -0.82 120.40 118.32 3n7o s VAL 158 Ca -0.03 -0.54 -0.15 0.00 -2.93 0.00 0.00 61.98 58.33 3n7o s VAL 158 Cb -0.01 -0.39 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 3n7o s VAL 158 CO -0.05 -0.30 0.36 -0.75 -3.33 0.00 0.00 175.10 171.04 3n7o s LYS 159 N -1.06 4.21 0.03 1.54 2.20 -1.26 -1.78 119.74 123.63 3n7o s LYS 159 Ca -0.11 0.17 0.04 0.00 -0.36 0.00 0.00 55.97 55.71 3n7o s LYS 159 Cb -0.06 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.75 3n7o s LYS 159 CO 0.01 0.07 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.44 3n7o s LEU 160 N 0.96 2.16 -0.04 5.43 1.43 0.47 -4.94 118.68 124.15 3n7o s LEU 160 Ca 0.18 -0.43 -0.25 0.00 -1.03 0.00 0.00 54.13 52.61 3n7o s LEU 160 Cb -0.14 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 3n7o s LEU 160 CO 0.07 0.00 0.76 -0.60 0.23 0.00 0.00 176.35 176.81 3n7o s ARG 161 N -1.08 4.46 -0.07 1.70 3.52 -1.26 -0.23 118.95 126.00 3n7o s ARG 161 Ca -0.00 1.00 -0.30 0.00 -0.13 0.00 0.00 55.73 56.30 3n7o s ARG 161 Cb -0.07 -3.44 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 3n7o s ARG 161 CO 0.01 0.07 1.39 -1.17 -0.81 0.00 0.00 175.30 174.79 3n7o s LEU 162 N 0.73 4.27 0.29 -0.88 2.96 -0.12 -0.85 118.68 125.08 3n7o s LEU 162 Ca 0.40 1.97 0.02 0.00 -0.22 0.00 0.00 54.13 56.30 3n7o s LEU 162 Cb -0.19 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 3n7o s LEU 162 CO 0.20 -0.76 0.46 -0.04 -1.32 0.00 0.00 176.35 174.89 3n7o s MET 163 N 3.09 3.47 0.45 1.98 -1.94 0.50 0.59 119.30 127.45 3n7o s MET 163 Ca 0.62 -0.49 -0.25 0.00 -1.71 0.00 0.00 55.69 53.87 3n7o s MET 163 Cb -0.28 -2.77 -0.09 0.00 2.01 0.00 0.00 34.83 33.70 3n7o s MET 163 CO 0.23 0.29 1.28 -3.47 -0.01 0.00 0.00 175.02 173.33 3n7o n ASP 164 N -1.49 2.55 0.17 3.03 2.03 -1.26 -4.47 116.55 117.11 3n7o n ASP 164 Ca -0.06 1.08 0.18 0.00 0.52 0.00 0.00 54.79 56.50 3n7o n ASP 164 Cb 0.56 -1.51 0.79 0.00 -0.72 0.00 0.00 41.12 40.24 3n7o n ASP 164 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3n7o h PRO 165 N 1.94 0.00 0.00 -0.67 0.13 -1.96 0.67 132.00 132.11 3n7o h PRO 165 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3n7o h PRO 165 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 3n7o h PRO 165 CO 0.59 0.00 -0.02 1.96 -0.23 0.00 0.00 178.00 180.30 3n7o h GLN 166 N 0.00 0.00 0.00 0.86 1.08 -2.01 -1.39 115.11 113.65 3n7o h GLN 166 Ca 0.12 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 3n7o h GLN 166 Cb 0.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 3n7o h GLN 166 CO -0.00 0.02 0.00 0.00 -0.95 0.00 0.00 178.83 177.90 3n7o n ALA 167 N -2.12 1.67 -1.01 3.87 0.00 0.23 -2.29 120.51 120.86 3n7o n ALA 167 Ca -0.02 0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.55 3n7o n ALA 167 Cb 0.17 -1.36 0.27 0.00 0.00 0.00 0.00 19.45 18.54 3n7o n ALA 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n7o h SER 169 N 2.02 0.00 1.23 0.00 4.64 -1.53 -1.34 113.55 118.58 3n7o h SER 169 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3n7o h SER 169 Cb 1.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 3n7o h SER 169 CO 0.27 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.64 3n7o n HIS 172 N -2.54 0.82 -2.83 4.77 8.25 -1.26 -4.62 115.22 117.81 3n7o n HIS 172 Ca 0.01 0.26 -0.43 0.00 -0.26 0.00 0.00 57.72 57.30 3n7o n HIS 172 Cb 0.21 -0.92 -0.04 0.00 1.12 0.00 0.00 29.99 30.36 3n7o n HIS 172 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3n7o s PHE 173 N -3.15 2.96 0.19 4.41 0.08 -0.51 -5.01 117.98 116.96 3n7o s PHE 173 Ca 0.09 0.45 -0.32 0.00 0.12 0.00 0.00 56.93 57.27 3n7o s PHE 173 Cb 0.12 -3.89 -0.15 0.00 -0.57 0.00 0.00 43.02 38.54 3n7o s PHE 173 CO 0.53 -1.04 1.27 0.54 -0.10 0.00 0.00 175.22 176.43 3n7o n ARG 174 N 7.06 1.52 -0.89 0.44 1.74 -1.26 -1.96 116.66 123.32 3n7o n ARG 174 Ca 0.06 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 3n7o n ARG 174 Cb 0.48 -2.11 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 3n7o n ARG 174 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3n7o n ASP 175 N 2.13 -1.53 -4.65 0.55 8.00 -1.26 -4.97 116.55 114.81 3n7o n ASP 175 Ca 0.14 0.00 -0.48 0.00 0.71 0.00 0.00 54.79 55.16 3n7o n ASP 175 Cb 0.27 -1.16 -0.05 0.00 -0.02 0.00 0.00 41.12 40.16 3n7o n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3n7o n PHE 176 N -2.24 2.07 -3.89 1.24 7.35 -0.83 -4.96 117.46 116.21 3n7o n PHE 176 Ca 0.00 0.37 -0.29 0.00 -0.76 0.00 0.00 57.45 56.77 3n7o n PHE 176 Cb 0.07 -2.48 -0.16 0.00 0.35 0.00 0.00 39.48 37.25 3n7o n PHE 176 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3n7o s ASP 177 N 0.78 3.32 0.61 -2.13 -1.08 -1.26 -5.01 116.67 111.89 3n7o s ASP 177 Ca 0.80 -0.93 0.33 0.00 -0.52 0.00 0.00 52.55 52.23 3n7o s ASP 177 Cb -0.75 -0.99 1.92 0.00 -1.46 0.00 0.00 42.92 41.64 3n7o s ASP 177 CO 0.40 -0.23 2.26 1.12 0.52 0.00 0.00 175.17 179.24 3n7o h HIS 177 N 8.06 0.00 0.00 -5.34 2.07 -1.93 0.61 115.15 118.62 3n7o h HIS 177 Ca -0.20 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.21 3n7o h HIS 177 Cb 1.09 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.06 3n7o h HIS 177 CO 0.44 0.00 -0.52 -0.91 -3.07 0.00 0.00 177.93 173.87 3n7o h ASN 178 N 0.00 0.00 0.00 3.10 2.35 -2.01 -3.33 115.58 115.69 3n7o h ASN 178 Ca 0.01 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.66 3n7o h ASN 178 Cb 0.07 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3n7o h ASN 178 CO -0.00 0.52 -1.94 0.18 -1.65 0.00 0.00 177.43 174.54 3n7o n LEU 179 N -3.88 0.00 -4.13 1.61 4.77 0.02 -4.73 117.00 110.66 3n7o n LEU 179 Ca -0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.84 3n7o n LEU 179 Cb 0.54 0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 41.66 3n7o n LEU 179 CO 0.41 0.14 -0.40 -1.10 -1.33 0.00 0.00 177.39 175.11 3n7o s GLN 180 N -2.97 0.72 0.08 3.23 -0.21 -0.15 -0.47 119.66 119.89 3n7o s GLN 180 Ca -0.07 -1.08 0.05 0.00 0.02 0.00 0.00 55.36 54.28 3n7o s GLN 180 Cb 0.09 -0.31 -0.04 0.00 1.00 0.00 0.00 33.01 33.76 3n7o s GLN 180 CO 0.73 0.03 -0.04 -0.51 -2.12 0.00 0.00 175.29 173.38 3n7o s LEU 181 N -2.36 3.32 -0.28 2.90 1.43 0.12 -4.49 118.68 119.31 3n7o s LEU 181 Ca 0.02 -0.22 -0.08 0.00 -1.03 0.00 0.00 54.13 52.82 3n7o s LEU 181 Cb -0.02 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 3n7o s LEU 181 CO -0.02 0.19 0.10 0.00 0.23 0.00 0.00 176.35 176.85 3n7o s VAL 183 N 1.58 0.97 0.00 0.00 1.01 -0.21 -0.37 120.40 123.39 3n7o s VAL 183 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.71 3n7o s VAL 183 Cb -0.16 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.26 3n7o s VAL 183 CO 0.04 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3n7o n GLY 184 N 4.39 2.31 3.67 4.51 0.00 -0.03 -0.68 105.19 119.36 3n7o n GLY 184 Ca -0.18 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 3n7o n GLY 184 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3n7o s ASN 185 N 0.00 6.44 0.20 1.61 3.84 -1.26 -3.23 114.94 122.54 3n7o s ASN 185 Ca 0.00 2.69 0.22 0.00 0.21 0.00 0.00 52.86 55.98 3n7o s ASN 185 Cb 0.00 -2.54 0.90 0.00 -0.55 0.00 0.00 41.25 39.06 3n7o s ASN 185 CO 0.00 -1.04 1.66 -0.81 -2.79 0.00 0.00 177.10 174.11 3n7o n PRO 185 N 7.12 0.15 -0.06 0.43 -0.04 -1.26 -2.15 135.00 139.19 3n7o n PRO 185 Ca 0.19 0.38 0.10 0.00 -0.04 0.00 0.00 63.50 64.14 3n7o n PRO 185 Cb 0.40 -1.79 0.41 0.00 -0.04 0.00 0.00 33.50 32.49 3n7o n PRO 185 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3n7o n ARG 185 N -2.07 1.60 -4.34 0.54 1.74 -1.26 -4.82 116.66 108.05 3n7o n ARG 185 Ca 0.02 -0.90 -0.17 0.00 -0.77 0.00 0.00 57.85 56.03 3n7o n ARG 185 Cb 0.22 -1.38 -0.10 0.00 -1.02 0.00 0.00 32.46 30.18 3n7o n ARG 185 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3n7o s LYS 186 N -1.83 1.39 0.02 5.56 1.02 -0.91 -5.06 119.74 119.92 3n7o s LYS 186 Ca 0.32 -1.73 0.23 0.00 0.02 0.00 0.00 55.97 54.81 3n7o s LYS 186 Cb 0.17 -0.51 0.17 0.00 -0.52 0.00 0.00 37.83 37.13 3n7o s LYS 186 CO 0.26 -0.18 1.16 0.25 -0.92 0.00 0.00 175.35 175.92 3n7o n THR 187 N -0.46 0.05 -1.80 2.17 -2.24 -1.26 -4.61 114.28 106.13 3n7o n THR 187 Ca -0.03 -0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 3n7o n THR 187 Cb 0.65 0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 69.31 3n7o n THR 187 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3n7o s LYS 188 N -3.06 4.14 -0.19 -0.78 1.02 -1.26 -4.71 119.74 114.90 3n7o s LYS 188 Ca 0.08 2.55 -0.30 0.00 0.02 0.00 0.00 55.97 58.32 3n7o s LYS 188 Cb 0.16 -3.04 0.14 0.00 -0.52 0.00 0.00 37.83 34.57 3n7o s LYS 188 CO 0.78 -0.62 1.06 0.45 -0.92 0.00 0.00 175.35 176.09 3n7o s SER 189 N 0.56 -0.32 0.71 2.83 0.15 -0.71 -4.69 113.70 112.23 3n7o s SER 189 Ca 0.64 0.36 -0.15 0.00 0.70 0.00 0.00 55.95 57.51 3n7o s SER 189 Cb -0.47 0.28 0.03 0.00 -1.71 0.00 0.00 66.02 64.15 3n7o s SER 189 CO 0.46 -0.28 1.17 0.00 1.20 0.00 0.00 173.24 175.78 3n7o s ALA 190 N -1.02 2.22 0.00 5.45 0.00 -1.26 -0.35 121.76 126.80 3n7o s ALA 190 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.70 3n7o s ALA 190 Cb -0.01 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3n7o s ALA 190 CO -0.00 -1.69 0.00 0.34 0.00 0.00 0.00 175.76 174.41 3n7o n PHE 191 N -2.67 -0.46 -1.68 0.00 7.35 -1.26 -4.80 117.46 113.94 3n7o n PHE 191 Ca 0.12 0.00 -0.46 0.00 -0.76 0.00 0.00 57.45 56.35 3n7o n PHE 191 Cb 0.51 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.30 3n7o n PHE 191 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 3n7o n LYS 192 N 0.00 2.26 0.00 -4.13 5.02 -1.26 -1.37 118.16 118.67 3n7o n LYS 192 Ca 0.00 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 3n7o n LYS 192 Cb 0.00 -2.63 0.00 0.00 -0.02 0.00 0.00 35.03 32.38 3n7o n LYS 192 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3n7o n GLY 193 N 3.87 1.25 0.05 0.72 0.00 -1.26 -0.43 105.19 109.38 3n7o n GLY 193 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 3n7o n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3n7o n ASP 194 N 0.00 0.50 -4.54 1.61 8.00 -0.47 -3.65 116.55 118.00 3n7o n ASP 194 Ca 0.00 0.35 -0.48 0.00 0.71 0.00 0.00 54.79 55.37 3n7o n ASP 194 Cb 0.00 -0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 40.69 3n7o n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3n7o n SER 195 N -1.90 0.70 0.00 -2.24 7.64 -1.26 -1.82 113.62 114.74 3n7o n SER 195 Ca 0.06 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.09 3n7o n SER 195 Cb 0.39 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 3n7o n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3n7o n GLY 196 N 1.71 3.15 3.80 0.23 0.00 -0.42 -0.21 105.19 113.45 3n7o n GLY 196 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3n7o n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3n7o s GLY 197 N -2.26 2.06 0.29 -0.02 0.00 -0.76 -3.37 107.32 103.27 3n7o s GLY 197 Ca 0.00 0.39 -0.19 0.00 0.00 0.00 0.00 44.72 44.92 3n7o s GLY 197 CO 0.00 0.72 0.78 2.56 0.00 0.00 0.00 173.10 177.16 3n7o s PRO 198 N -4.22 4.21 -0.26 2.90 0.04 -1.26 -0.95 135.00 135.46 3n7o s PRO 198 Ca 0.64 0.89 -0.14 0.00 0.04 0.00 0.00 61.00 62.42 3n7o s PRO 198 Cb -0.17 -2.66 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 3n7o s PRO 198 CO 0.41 0.26 0.34 -1.17 0.04 0.00 0.00 177.00 176.88 3n7o s LEU 199 N -2.42 4.05 -0.21 -3.56 2.96 0.15 -4.22 118.68 115.43 3n7o s LEU 199 Ca 0.49 0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 54.60 3n7o s LEU 199 Cb -0.14 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 3n7o s LEU 199 CO 0.19 -0.14 0.07 -0.76 -1.32 0.00 0.00 176.35 174.39 3n7o s LEU 200 N 1.88 3.65 -0.11 -0.68 1.02 0.29 -0.75 118.68 123.98 3n7o s LEU 200 Ca 0.14 -0.05 0.00 0.00 0.02 0.00 0.00 54.13 54.25 3n7o s LEU 200 Cb -0.16 -1.95 0.02 0.00 0.02 0.00 0.00 46.19 44.13 3n7o s LEU 200 CO 0.09 0.08 -0.10 0.00 0.02 0.00 0.00 176.35 176.45 3n7o n ALA 202 N 4.72 -1.80 -0.98 0.00 0.00 -1.26 -2.29 120.51 118.89 3n7o n ALA 202 Ca -0.15 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3n7o n ALA 202 Cb 0.50 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.39 3n7o n ALA 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n7o n GLY 207 N -1.67 0.22 3.30 0.00 0.00 -1.26 -4.98 105.19 100.80 3n7o n GLY 207 Ca -0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 3n7o n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n7o s ALA 208 N -1.47 2.04 -0.13 4.61 0.00 -0.97 -4.70 121.76 121.14 3n7o s ALA 208 Ca 0.00 -1.18 -0.29 0.00 0.00 0.00 0.00 51.96 50.49 3n7o s ALA 208 Cb 0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 3n7o s ALA 208 CO 0.00 0.47 1.73 0.00 0.00 0.00 0.00 175.76 177.97 3n7o s ALA 209 N -0.80 3.38 -0.06 0.00 0.00 -1.09 -2.04 121.76 121.15 3n7o s ALA 209 Ca 0.10 0.77 0.08 0.00 0.00 0.00 0.00 51.96 52.91 3n7o s ALA 209 Cb -0.09 -3.84 -0.12 0.00 0.00 0.00 0.00 23.12 19.07 3n7o s ALA 209 CO 0.02 -1.79 0.09 1.04 0.00 0.00 0.00 175.76 175.12 3n7o n GLN 210 N 7.57 1.75 -4.04 0.00 1.13 0.07 -4.40 117.38 119.46 3n7o n GLN 210 Ca 0.19 -0.03 -0.10 0.00 -1.94 0.00 0.00 57.00 55.12 3n7o n GLN 210 Cb 0.44 -1.22 -0.06 0.00 0.11 0.00 0.00 30.24 29.51 3n7o n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3n7o s GLY 211 N -3.71 0.74 -0.08 1.08 0.00 -1.14 -1.51 107.32 102.70 3n7o s GLY 211 Ca -0.04 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.64 3n7o s GLY 211 CO 0.37 -0.78 -0.12 -0.42 0.00 0.00 0.00 173.10 172.15 3n7o s ILE 212 N -3.99 1.17 0.16 0.90 1.01 -0.64 -0.68 121.20 119.14 3n7o s ILE 212 Ca 0.26 -0.47 -0.33 0.00 0.00 0.00 0.00 60.65 60.11 3n7o s ILE 212 Cb 0.01 -1.09 -0.13 0.00 0.01 0.00 0.00 42.46 41.26 3n7o s ILE 212 CO 0.10 0.37 1.67 0.52 0.00 0.00 0.00 174.94 177.60 3n7o n VAL 213 N 4.09 0.06 0.02 2.92 0.31 -0.13 -0.45 118.33 125.16 3n7o n VAL 213 Ca -0.20 -0.01 -0.01 0.00 -0.01 0.00 0.00 64.34 64.11 3n7o n VAL 213 Cb 0.51 -1.76 -0.00 0.00 -0.91 0.00 0.00 33.84 31.68 3n7o n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3n7o n SER 214 N 3.97 0.78 -3.32 4.52 2.88 -0.63 -1.30 113.62 120.52 3n7o n SER 214 Ca 0.17 0.10 -0.08 0.00 -1.33 0.00 0.00 58.87 57.73 3n7o n SER 214 Cb 0.32 -0.27 0.01 0.00 -0.75 0.00 0.00 64.21 63.51 3n7o n SER 214 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 3n7o s TYR 215 N -1.71 -0.01 0.00 0.66 -0.85 -0.80 -4.88 117.35 109.76 3n7o s TYR 215 Ca -0.02 -0.57 0.00 0.00 -0.52 0.00 0.00 57.07 55.95 3n7o s TYR 215 Cb 0.00 0.78 0.00 0.00 0.38 0.00 0.00 41.96 43.13 3n7o s TYR 215 CO 0.03 -1.42 0.00 0.41 -1.52 0.00 0.00 175.55 173.05 3n7o n GLY 216 N -0.50 1.49 3.76 5.49 0.00 -1.26 -0.09 105.19 114.07 3n7o n GLY 216 Ca -0.07 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 3n7o n GLY 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n7o s ARG 217 N -0.29 4.75 0.54 1.61 0.52 -1.26 -4.94 118.95 119.87 3n7o s ARG 217 Ca 0.00 1.41 0.20 0.00 -0.52 0.00 0.00 55.73 56.83 3n7o s ARG 217 Cb 0.00 -3.13 1.39 0.00 0.52 0.00 0.00 34.95 33.73 3n7o s ARG 217 CO 0.00 0.45 2.14 0.77 0.02 0.00 0.00 175.30 178.68 3n7o h SER 218 N 3.86 0.00 -0.27 0.23 0.02 -2.01 -1.89 113.55 113.48 3n7o h SER 218 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3n7o h SER 218 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3n7o h SER 218 CO 0.67 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.46 3n7o n ASP 219 N -4.37 1.58 0.00 3.07 5.68 -1.26 -4.92 116.55 116.33 3n7o n ASP 219 Ca -0.01 -1.94 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 3n7o n ASP 219 Cb 0.19 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3n7o n ASP 219 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3n7o n ALA 220 N 0.34 0.00 -2.42 2.12 0.00 -0.71 -4.93 120.51 114.91 3n7o n ALA 220 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 3n7o n ALA 220 Cb 0.26 -0.61 -0.02 0.00 0.00 0.00 0.00 19.45 19.08 3n7o n ALA 220 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3n7o s LYS 221 N -0.77 4.10 0.83 0.00 1.02 -1.26 -4.88 119.74 118.79 3n7o s LYS 221 Ca 0.00 1.49 -0.11 0.00 0.02 0.00 0.00 55.97 57.38 3n7o s LYS 221 Cb 0.00 -3.81 0.09 0.00 -0.52 0.00 0.00 37.83 33.59 3n7o s LYS 221 CO 0.00 -0.88 1.10 -1.25 -0.92 0.00 0.00 175.35 173.40 3n7o s PRO 224 N 3.78 1.73 0.70 -1.68 0.05 -1.26 -4.54 135.00 133.78 3n7o s PRO 224 Ca 0.55 1.19 -0.11 0.00 0.05 0.00 0.00 61.00 62.68 3n7o s PRO 224 Cb -0.20 -1.84 0.01 0.00 0.05 0.00 0.00 34.50 32.53 3n7o s PRO 224 CO 0.18 -2.02 1.09 -1.25 0.05 0.00 0.00 177.00 175.05 3n7o s PRO 225 N -4.84 2.89 0.38 0.56 0.04 -1.20 -4.21 135.00 128.62 3n7o s PRO 225 Ca 0.63 0.45 0.08 0.00 0.04 0.00 0.00 61.00 62.20 3n7o s PRO 225 Cb -0.19 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 3n7o s PRO 225 CO 0.57 -1.00 0.25 0.00 0.04 0.00 0.00 177.00 176.86 3n7o s ALA 226 N -3.34 3.76 -0.14 8.56 0.00 0.15 -4.65 121.76 126.11 3n7o s ALA 226 Ca 0.58 -1.87 -0.03 0.00 0.00 0.00 0.00 51.96 50.64 3n7o s ALA 226 Cb -0.11 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 3n7o s ALA 226 CO 0.52 -0.09 -0.03 0.08 0.00 0.00 0.00 175.76 176.24 3n7o s VAL 227 N -2.45 4.01 0.16 0.00 1.01 0.87 -1.04 120.40 122.96 3n7o s VAL 227 Ca 0.42 -0.33 0.10 0.00 0.00 0.00 0.00 61.98 62.17 3n7o s VAL 227 Cb -0.02 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 3n7o s VAL 227 CO 0.25 0.52 -0.21 -0.36 0.00 0.00 0.00 175.10 175.30 3n7o s PHE 228 N 0.06 2.00 0.14 5.22 0.40 -0.24 -1.60 117.98 123.96 3n7o s PHE 228 Ca 0.01 -0.42 -0.30 0.00 -0.60 0.00 0.00 56.93 55.62 3n7o s PHE 228 Cb -0.13 -1.02 -0.07 0.00 0.51 0.00 0.00 43.02 42.31 3n7o s PHE 228 CO 0.02 0.36 1.06 0.99 0.70 0.00 0.00 175.22 178.36 3n7o s THR 229 N -1.68 4.09 -0.42 0.64 2.01 0.41 0.10 115.64 120.79 3n7o s THR 229 Ca 0.15 1.75 -0.27 0.00 0.31 0.00 0.00 61.69 63.63 3n7o s THR 229 Cb -0.08 -4.12 0.02 0.00 0.01 0.00 0.00 72.50 68.34 3n7o s THR 229 CO 0.07 0.27 1.00 -0.60 -0.69 0.00 0.00 174.62 174.68 3n7o s ARG 230 N -0.10 3.74 0.16 4.92 3.52 0.38 -1.62 118.95 129.95 3n7o s ARG 230 Ca 0.49 0.50 -0.11 0.00 -0.13 0.00 0.00 55.73 56.49 3n7o s ARG 230 Cb -0.27 -3.86 0.05 0.00 -1.56 0.00 0.00 34.95 29.30 3n7o s ARG 230 CO 0.33 -1.15 1.64 0.82 -0.81 0.00 0.00 175.30 176.13 3n7o h ILE 231 N 6.01 1.26 -0.97 4.11 2.04 -1.59 -3.03 117.51 125.33 3n7o h ILE 231 Ca -0.23 -1.01 0.19 0.00 1.00 0.00 0.00 64.86 64.81 3n7o h ILE 231 Cb 1.07 0.83 -0.09 0.00 -0.74 0.00 0.00 36.82 37.89 3n7o h ILE 231 CO 1.04 0.37 0.61 0.77 0.00 0.00 0.00 178.15 180.94 3n7o h SER 232 N 0.82 0.67 0.11 1.72 4.64 -1.89 0.14 113.55 119.77 3n7o h SER 232 Ca 0.17 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.55 3n7o h SER 232 Cb 0.45 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3n7o h SER 232 CO 0.02 0.26 -0.06 -0.74 -0.87 0.00 0.00 176.83 175.43 3n7o h HIS 233 N 0.66 0.00 -0.17 4.77 -0.00 -1.82 -2.88 115.15 115.71 3n7o h HIS 233 Ca 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.91 3n7o h HIS 233 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.38 3n7o h HIS 233 CO -0.00 0.06 0.00 0.66 -0.00 0.00 0.00 177.93 178.65 3n7o n TYR 234 N -4.06 0.21 -0.35 5.26 4.02 0.47 -4.58 117.16 118.14 3n7o n TYR 234 Ca -0.03 -0.15 -0.03 0.00 -0.01 0.00 0.00 57.90 57.68 3n7o n TYR 234 Cb 0.15 -0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.56 3n7o n TYR 234 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3n7o h GLN 235 N 3.23 1.24 -0.67 -0.72 4.20 -1.26 -0.37 115.11 120.76 3n7o h GLN 235 Ca 0.00 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 3n7o h GLN 235 Cb 0.75 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 3n7o h GLN 235 CO 0.00 0.84 0.37 -1.35 -0.67 0.00 0.00 178.83 178.02 3n7o h PRO 236 N 1.27 0.92 -0.25 1.46 0.11 -1.82 0.78 132.00 134.49 3n7o h PRO 236 Ca 0.34 -0.09 -0.03 0.00 0.11 0.00 0.00 66.00 66.33 3n7o h PRO 236 Cb -0.11 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.80 3n7o h PRO 236 CO -0.07 0.67 0.05 2.35 -0.21 0.00 0.00 178.00 180.80 3n7o h TRP 237 N 0.93 0.42 -0.58 0.65 7.01 -1.67 -0.51 115.95 122.20 3n7o h TRP 237 Ca 0.24 -0.05 0.10 0.00 2.11 0.00 0.00 58.89 61.28 3n7o h TRP 237 Cb 0.01 -0.12 -0.08 0.00 -2.10 0.00 0.00 29.16 26.88 3n7o h TRP 237 CO 0.01 0.50 0.17 0.82 -2.79 0.00 0.00 178.44 177.14 3n7o h ILE 238 N 0.22 0.72 -0.57 2.65 2.04 -0.69 -0.87 117.51 121.01 3n7o h ILE 238 Ca 0.08 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 3n7o h ILE 238 Cb 0.30 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3n7o h ILE 238 CO 0.00 0.06 0.13 0.78 0.00 0.00 0.00 178.15 179.12 3n7o h ASN 239 N 0.32 0.83 -0.04 1.72 2.35 -0.61 -0.86 115.58 119.30 3n7o h ASN 239 Ca 0.30 -0.16 0.02 0.00 -0.55 0.00 0.00 56.30 55.90 3n7o h ASN 239 Cb 0.40 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3n7o h ASN 239 CO -0.34 0.82 -0.05 -0.61 -1.65 0.00 0.00 177.43 175.59 3n7o h GLN 240 N 0.85 -0.08 -0.19 0.81 4.15 -0.28 -0.22 115.11 120.15 3n7o h GLN 240 Ca 0.18 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 3n7o h GLN 240 Cb 0.32 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 3n7o h GLN 240 CO 0.00 -0.05 0.11 0.82 -1.93 0.00 0.00 178.83 177.78 3n7o h ILE 241 N -0.08 1.10 -0.89 2.39 1.08 -0.89 -2.62 117.51 117.60 3n7o h ILE 241 Ca 0.04 -0.26 -0.01 0.00 -0.39 0.00 0.00 64.86 64.23 3n7o h ILE 241 Cb 0.13 0.93 -0.04 0.00 -3.07 0.00 0.00 36.82 34.76 3n7o h ILE 241 CO -0.08 0.09 0.50 -0.07 -0.69 0.00 0.00 178.15 177.90 3n7o h LEU 242 N 0.21 1.10 -1.16 1.44 3.38 -1.05 -2.73 115.31 116.50 3n7o h LEU 242 Ca 0.07 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3n7o h LEU 242 Cb 0.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3n7o h LEU 242 CO -0.01 0.88 -0.23 -0.61 0.09 0.00 0.00 178.44 178.56 3n7o h GLN 243 N 1.24 0.00 -0.17 1.13 5.75 -0.90 -2.06 115.11 120.10 3n7o h GLN 243 Ca 0.31 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.81 3n7o h GLN 243 Cb 0.01 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.56 3n7o h GLN 243 CO -0.05 0.23 0.00 0.00 -2.65 0.00 0.00 178.83 176.35 3n7o n ALA 244 N -2.23 2.51 0.05 3.38 0.00 -1.00 -5.10 120.51 118.13 3n7o n ALA 244 Ca -0.00 -0.57 0.01 0.00 0.00 0.00 0.00 53.44 52.88 3n7o n ALA 244 Cb 0.42 -1.07 0.01 0.00 0.00 0.00 0.00 19.45 18.81 3n7o n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59