#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c46 h LEU -4 N 0.00 0.00 -1.59 1.20 3.38 -1.95 -3.18 115.31 113.16 2c46 h LEU -4 Ca 0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 2c46 h LEU -4 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2c46 h LEU -4 CO 0.00 0.00 0.48 0.22 0.09 0.00 0.00 178.44 179.23 2c46 h TYR -3 N 0.00 0.48 -0.53 1.13 5.03 -1.58 -1.41 116.97 120.07 2c46 h TYR -3 Ca 0.00 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.32 2c46 h TYR -3 Cb 0.43 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.55 2c46 h TYR -3 CO 0.00 0.19 0.00 1.19 -1.32 0.00 0.00 178.16 178.22 2c46 n PHE -2 N -4.47 1.04 -3.63 -3.82 3.01 -1.20 -4.92 117.46 103.47 2c46 n PHE -2 Ca 0.13 -0.44 -0.21 0.00 1.01 0.00 0.00 57.45 57.95 2c46 n PHE -2 Cb 0.49 -0.14 -0.03 0.00 -0.01 0.00 0.00 39.48 39.80 2c46 n PHE -2 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 2c46 s GLN -1 N -1.60 2.67 0.01 -1.08 -0.21 -0.53 -5.04 119.66 113.88 2c46 s GLN -1 Ca 0.40 -1.38 -0.21 0.00 0.02 0.00 0.00 55.36 54.19 2c46 s GLN -1 Cb 0.24 -2.47 -0.10 0.00 1.00 0.00 0.00 33.01 31.67 2c46 s GLN -1 CO 0.22 -0.05 0.54 0.45 -2.12 0.00 0.00 175.29 174.32 2c46 n SER 0 N -1.50 -0.06 -0.82 5.90 2.88 -1.26 -4.88 113.62 113.88 2c46 n SER 0 Ca 0.01 0.61 0.12 0.00 -1.33 0.00 0.00 58.87 58.28 2c46 n SER 0 Cb 0.60 -0.49 0.29 0.00 -0.75 0.00 0.00 64.21 63.87 2c46 n SER 0 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 2c46 n MET 1 N 0.77 2.09 -0.25 -1.46 1.56 -1.26 -4.66 117.12 113.91 2c46 n MET 1 Ca 0.10 -1.63 -0.01 0.00 -0.27 0.00 0.00 57.70 55.90 2c46 n MET 1 Cb 0.05 -1.46 0.05 0.00 2.15 0.00 0.00 33.22 34.01 2c46 n MET 1 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2c46 h ALA 2 N 4.37 0.24 -1.33 -5.12 0.00 -2.04 0.24 119.26 115.62 2c46 h ALA 2 Ca 0.00 0.24 -0.61 0.00 0.00 0.00 0.00 54.91 54.54 2c46 h ALA 2 Cb 0.75 0.71 -0.39 0.00 0.00 0.00 0.00 17.79 18.85 2c46 h ALA 2 CO 0.00 -0.54 -0.42 0.72 0.00 0.00 0.00 179.25 179.00 2c46 n HIS 3 N -5.47 3.26 -3.76 0.00 8.25 -1.26 -4.88 115.22 111.36 2c46 n HIS 3 Ca 0.08 -2.88 -0.35 0.00 -0.26 0.00 0.00 57.72 54.31 2c46 n HIS 3 Cb 0.38 -0.32 -0.10 0.00 1.12 0.00 0.00 29.99 31.06 2c46 n HIS 3 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2c46 s ASN 4 N -3.13 5.07 0.39 0.41 0.01 0.07 -5.09 114.94 112.67 2c46 s ASN 4 Ca 0.49 -2.94 -0.08 0.00 -0.71 0.00 0.00 52.86 49.62 2c46 s ASN 4 Cb 0.41 -1.81 -0.05 0.00 0.41 0.00 0.00 41.25 40.20 2c46 s ASN 4 CO -0.19 -0.33 0.72 -0.75 -1.51 0.00 0.00 177.10 175.04 2c46 s LYS 5 N -0.19 3.69 0.53 -0.60 2.20 -1.26 -5.02 119.74 119.09 2c46 s LYS 5 Ca 0.18 0.29 -0.18 0.00 -0.36 0.00 0.00 55.97 55.90 2c46 s LYS 5 Cb -0.21 -2.45 -0.07 0.00 -1.51 0.00 0.00 37.83 33.59 2c46 s LYS 5 CO -0.03 -0.01 1.03 0.96 -0.36 0.00 0.00 175.35 176.94 2c46 s ILE 6 N -2.37 4.00 0.58 5.43 -4.36 -1.26 -4.99 121.20 118.23 2c46 s ILE 6 Ca 0.48 1.06 -0.20 0.00 -0.26 0.00 0.00 60.65 61.74 2c46 s ILE 6 Cb -0.10 -3.49 -0.04 0.00 1.25 0.00 0.00 42.46 40.07 2c46 s ILE 6 CO 0.34 -0.45 1.23 -2.84 0.24 0.00 0.00 174.94 173.45 2c46 s PRO 7 N -3.75 3.05 0.43 0.37 0.02 -1.26 -4.96 135.00 128.91 2c46 s PRO 7 Ca 0.64 1.88 -0.25 0.00 0.02 0.00 0.00 61.00 63.28 2c46 s PRO 7 Cb -0.14 -2.01 -0.08 0.00 0.02 0.00 0.00 34.50 32.28 2c46 s PRO 7 CO 0.29 -1.16 1.36 -1.25 -0.33 0.00 0.00 177.00 175.91 2c46 s PRO 8 N -3.22 3.80 -0.67 5.54 0.04 -1.26 -2.85 135.00 136.38 2c46 s PRO 8 Ca 0.76 2.28 0.00 0.00 0.04 0.00 0.00 61.00 64.07 2c46 s PRO 8 Cb -0.32 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.54 2c46 s PRO 8 CO 0.35 -0.67 0.00 0.54 0.04 0.00 0.00 177.00 177.26 2c46 n ARG 9 N -0.07 -0.92 0.03 4.56 5.12 -1.26 -4.91 116.66 119.21 2c46 n ARG 9 Ca 0.05 0.62 -0.20 0.00 -1.93 0.00 0.00 57.85 56.39 2c46 n ARG 9 Cb 0.43 -4.53 -0.14 0.00 -1.16 0.00 0.00 32.46 27.06 2c46 n ARG 9 CO 0.00 0.00 0.00 2.35 -1.93 0.00 0.00 177.63 178.05 2c46 h TRP 10 N 0.00 0.50 -0.53 -1.55 7.01 -1.90 -3.32 115.95 116.16 2c46 h TRP 10 Ca -0.13 -0.36 0.10 0.00 2.11 0.00 0.00 58.89 60.61 2c46 h TRP 10 Cb 0.65 -0.02 -0.08 0.00 -2.10 0.00 0.00 29.16 27.61 2c46 h TRP 10 CO 0.33 1.64 0.07 -0.07 -2.79 0.00 0.00 178.44 177.62 2c46 h LEU 11 N 0.07 -0.08 -2.80 0.65 3.38 -1.91 -2.16 115.31 112.46 2c46 h LEU 11 Ca -0.37 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2c46 h LEU 11 Cb 2.05 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.97 2c46 h LEU 11 CO 0.12 -0.02 0.00 0.59 0.09 0.00 0.00 178.44 179.22 2c46 n ASN 12 N -5.16 3.60 -4.72 -0.43 3.02 -1.26 -4.87 115.26 105.44 2c46 n ASN 12 Ca 0.07 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.20 2c46 n ASN 12 Cb 0.28 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 2c46 n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c46 s PRO 14 N 0.82 4.11 0.12 0.00 0.04 -1.26 -4.94 135.00 133.89 2c46 s PRO 14 Ca 0.59 2.58 -0.19 0.00 0.04 0.00 0.00 61.00 64.02 2c46 s PRO 14 Cb -0.31 -2.98 -0.06 0.00 0.04 0.00 0.00 34.50 31.19 2c46 s PRO 14 CO 0.31 -0.56 1.74 0.00 0.04 0.00 0.00 177.00 178.53 2c46 h ARG 15 N 3.31 0.31 -2.76 4.56 3.08 -1.95 -3.40 114.38 117.54 2c46 h ARG 15 Ca -0.50 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.42 2c46 h ARG 15 Cb 1.24 -0.07 -0.20 0.00 0.08 0.00 0.00 29.97 31.03 2c46 h ARG 15 CO 0.67 0.26 -0.14 -0.98 -1.07 0.00 0.00 179.97 178.70 2c46 s ARG 16 N -5.98 0.79 0.69 0.04 1.70 -1.26 -1.74 118.95 113.18 2c46 s ARG 16 Ca -0.13 -0.09 -0.03 0.00 -0.47 0.00 0.00 55.73 55.01 2c46 s ARG 16 Cb 0.08 0.36 0.14 0.00 -0.57 0.00 0.00 34.95 34.96 2c46 s ARG 16 CO 0.70 -0.23 0.95 0.41 -1.08 0.00 0.00 175.30 176.05 2c46 n GLY 17 N 1.12 0.31 3.82 3.88 0.00 0.45 -4.98 105.19 109.78 2c46 n GLY 17 Ca -0.21 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.52 2c46 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c46 s GLN 18 N -4.97 3.50 0.23 1.61 -1.52 -0.08 -4.68 119.66 113.75 2c46 s GLN 18 Ca 0.61 1.09 -0.32 0.00 -1.95 0.00 0.00 55.36 54.80 2c46 s GLN 18 Cb -0.03 -2.06 -0.12 0.00 -0.22 0.00 0.00 33.01 30.57 2c46 s GLN 18 CO 0.41 -0.65 1.67 -2.30 -0.25 0.00 0.00 175.29 174.16 2c46 n PRO 19 N -1.99 2.68 -3.31 2.91 -0.02 -1.26 -4.54 135.00 129.47 2c46 n PRO 19 Ca 0.08 0.96 -0.39 0.00 -2.02 0.00 0.00 63.50 62.13 2c46 n PRO 19 Cb 0.53 -2.78 -0.08 0.00 -0.02 0.00 0.00 33.50 31.16 2c46 n PRO 19 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2c46 s VAL 20 N 0.78 5.14 -1.02 -1.45 1.01 0.18 -3.73 120.40 121.30 2c46 s VAL 20 Ca 0.72 0.79 -0.02 0.00 0.00 0.00 0.00 61.98 63.47 2c46 s VAL 20 Cb -0.52 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.09 2c46 s VAL 20 CO 0.38 0.17 0.10 0.00 0.00 0.00 0.00 175.10 175.74 2c46 n ALA 21 N 5.00 -0.85 -1.94 5.51 0.00 -1.26 -0.25 120.51 126.72 2c46 n ALA 21 Ca -0.06 0.09 -0.18 0.00 0.00 0.00 0.00 53.44 53.29 2c46 n ALA 21 Cb 0.50 -1.70 -0.05 0.00 0.00 0.00 0.00 19.45 18.21 2c46 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c46 n GLY 22 N -0.86 0.69 0.14 0.00 0.00 -1.24 -4.79 105.19 99.13 2c46 n GLY 22 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2c46 n GLY 22 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2c46 n ARG 23 N -2.55 0.00 -4.92 1.61 0.00 0.66 -4.84 116.66 106.62 2c46 n ARG 23 Ca -0.20 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.39 2c46 n ARG 23 Cb 0.63 -0.72 -0.16 0.00 -0.00 0.00 0.00 32.46 32.21 2c46 n ARG 23 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2c46 s PHE 24 N -1.59 1.77 -0.33 2.89 0.08 -0.81 -1.48 117.98 118.51 2c46 s PHE 24 Ca 0.00 -0.42 -0.05 0.00 0.12 0.00 0.00 56.93 56.59 2c46 s PHE 24 Cb 0.00 -1.16 0.05 0.00 -0.57 0.00 0.00 43.02 41.33 2c46 s PHE 24 CO 0.00 -0.09 0.08 -1.17 -0.10 0.00 0.00 175.22 173.93 2c46 s LEU 25 N -0.25 4.23 0.25 -0.37 2.96 0.09 0.50 118.68 126.10 2c46 s LEU 25 Ca 0.02 -1.23 -0.22 0.00 -0.22 0.00 0.00 54.13 52.49 2c46 s LEU 25 Cb -0.09 -1.82 -0.09 0.00 0.50 0.00 0.00 46.19 44.69 2c46 s LEU 25 CO 0.01 -0.32 0.79 -2.16 -1.32 0.00 0.00 176.35 173.35 2c46 s PRO 26 N 1.34 4.38 0.11 0.98 0.04 -1.26 -1.54 135.00 139.05 2c46 s PRO 26 Ca -0.02 1.03 -0.16 0.00 0.04 0.00 0.00 61.00 61.89 2c46 s PRO 26 Cb -0.20 -2.90 0.03 0.00 0.04 0.00 0.00 34.50 31.48 2c46 s PRO 26 CO 0.01 0.38 0.39 -0.48 0.04 0.00 0.00 177.00 177.34 2c46 s LEU 27 N -1.91 0.45 0.76 -3.56 2.34 -0.88 -0.41 118.68 115.47 2c46 s LEU 27 Ca 0.44 -0.27 -0.11 0.00 0.06 0.00 0.00 54.13 54.25 2c46 s LEU 27 Cb -0.18 1.78 0.05 0.00 -0.56 0.00 0.00 46.19 47.28 2c46 s LEU 27 CO 0.22 -0.81 1.09 -1.59 -1.06 0.00 0.00 176.35 174.20 2c46 s LYS 28 N -3.56 2.42 0.40 1.48 -2.85 -0.71 -3.63 119.74 113.28 2c46 s LYS 28 Ca 0.01 0.71 -0.26 0.00 -1.00 0.00 0.00 55.97 55.44 2c46 s LYS 28 Cb 0.02 -1.95 -0.10 0.00 -2.06 0.00 0.00 37.83 33.73 2c46 s LYS 28 CO -0.10 -1.41 1.31 -2.37 0.10 0.00 0.00 175.35 172.88 2c46 n THR 29 N -3.30 2.36 -1.63 3.79 5.66 -0.50 -4.91 114.28 115.74 2c46 n THR 29 Ca 0.07 -0.50 -0.32 0.00 -3.05 0.00 0.00 64.05 60.25 2c46 n THR 29 Cb 0.55 -1.63 0.05 0.00 -1.55 0.00 0.00 70.33 67.75 2c46 n THR 29 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 2c46 s MET 30 N -2.12 2.84 -0.08 1.09 1.00 -1.26 -5.02 119.30 115.74 2c46 s MET 30 Ca 0.59 1.13 0.02 0.00 0.00 0.00 0.00 55.69 57.42 2c46 s MET 30 Cb -0.52 -1.97 0.02 0.00 0.00 0.00 0.00 34.83 32.36 2c46 s MET 30 CO 0.60 -1.19 -0.11 -0.51 0.00 0.00 0.00 175.02 173.81 2c46 s LEU 31 N -5.29 1.51 0.99 -0.03 1.43 -0.27 -4.39 118.68 112.64 2c46 s LEU 31 Ca 0.61 -0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 53.28 2c46 s LEU 31 Cb -0.16 -0.81 0.19 0.00 0.03 0.00 0.00 46.19 45.43 2c46 s LEU 31 CO 0.49 -0.01 1.16 -0.83 0.23 0.00 0.00 176.35 177.39 2c46 s GLY 32 N 0.94 1.61 0.60 -3.19 0.00 0.27 -3.70 107.32 103.86 2c46 s GLY 32 Ca -0.09 -0.72 0.29 0.00 0.00 0.00 0.00 44.72 44.20 2c46 s GLY 32 CO 0.00 -0.05 2.01 -2.55 0.00 0.00 0.00 173.10 172.51 2c46 h PRO 33 N -1.80 0.00 -0.75 2.90 0.11 -1.97 -1.86 132.00 128.64 2c46 h PRO 33 Ca -0.49 0.00 0.19 0.00 0.11 0.00 0.00 66.00 65.81 2c46 h PRO 33 Cb 1.31 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.38 2c46 h PRO 33 CO 0.51 0.00 0.52 0.00 -0.21 0.00 0.00 178.00 178.82 2c46 h ARG 34 N 0.00 0.17 -0.11 1.05 3.08 -1.94 -0.98 114.38 115.66 2c46 h ARG 34 Ca 0.13 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2c46 h ARG 34 Cb 0.77 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2c46 h ARG 34 CO -0.00 0.11 0.00 0.66 -1.07 0.00 0.00 179.97 179.67 2c46 n TYR 35 N -4.40 0.14 0.19 3.04 4.01 -0.70 -4.44 117.16 114.99 2c46 n TYR 35 Ca 0.15 -0.07 0.14 0.00 -0.16 0.00 0.00 57.90 57.96 2c46 n TYR 35 Cb 0.70 0.00 0.73 0.00 -0.31 0.00 0.00 39.34 40.46 2c46 n TYR 35 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2c46 h ASP 36 N 2.02 0.00 0.69 7.72 5.19 -1.34 0.33 116.42 131.04 2c46 h ASP 36 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2c46 h ASP 36 Cb 0.44 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.95 2c46 h ASP 36 CO 0.00 0.00 0.00 0.77 -3.12 0.00 0.00 179.24 176.89 2c46 h SER 37 N 0.00 0.00 -0.04 6.45 4.64 -1.81 -2.80 113.55 119.99 2c46 h SER 37 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2c46 h SER 37 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2c46 h SER 37 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2c46 n GLN 38 N -2.44 0.80 -3.76 4.77 6.02 0.08 -4.95 117.38 117.90 2c46 n GLN 38 Ca 0.01 -1.27 -0.24 0.00 -0.01 0.00 0.00 57.00 55.49 2c46 n GLN 38 Cb 0.22 -1.24 -0.17 0.00 1.02 0.00 0.00 30.24 30.07 2c46 n GLN 38 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2c46 s VAL 39 N -1.01 0.42 0.56 5.09 1.01 -1.05 -5.01 120.40 120.42 2c46 s VAL 39 Ca 0.15 -0.09 -0.20 0.00 0.00 0.00 0.00 61.98 61.83 2c46 s VAL 39 Cb 0.10 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.74 2c46 s VAL 39 CO 0.15 0.11 1.09 0.00 0.00 0.00 0.00 175.10 176.46 2c46 n ALA 40 N 5.12 0.60 -0.31 5.51 0.00 -1.26 -4.75 120.51 125.42 2c46 n ALA 40 Ca -0.08 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.54 2c46 n ALA 40 Cb 0.49 -2.18 0.28 0.00 0.00 0.00 0.00 19.45 18.04 2c46 n ALA 40 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2c46 h GLU 41 N 0.90 0.54 0.00 0.00 4.22 -1.99 1.00 114.58 119.24 2c46 h GLU 41 Ca -0.49 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 58.92 2c46 h GLU 41 Cb 1.34 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2c46 h GLU 41 CO 0.53 0.35 0.00 -0.85 -2.18 0.00 0.00 179.01 176.87 2c46 n GLU 42 N -4.93 0.17 -0.13 1.92 0.00 -1.26 -2.46 120.64 113.95 2c46 n GLU 42 Ca 0.20 0.41 0.10 0.00 0.00 0.00 0.00 57.16 57.87 2c46 n GLU 42 Cb 0.56 -1.83 0.17 0.00 0.00 0.00 0.00 31.44 30.34 2c46 n GLU 42 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2c46 n ASN 43 N -2.15 3.12 -4.81 -1.84 3.02 0.33 -5.03 115.26 107.90 2c46 n ASN 43 Ca 0.02 -1.92 -0.33 0.00 -0.03 0.00 0.00 54.58 52.32 2c46 n ASN 43 Cb 0.22 -0.17 -0.05 0.00 -0.61 0.00 0.00 39.78 39.16 2c46 n ASN 43 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2c46 s ARG 44 N -1.42 4.01 -0.45 3.52 0.52 -1.03 -4.92 118.95 119.18 2c46 s ARG 44 Ca 0.32 1.22 0.07 0.00 -0.52 0.00 0.00 55.73 56.81 2c46 s ARG 44 Cb 0.19 -2.14 0.23 0.00 0.52 0.00 0.00 34.95 33.75 2c46 s ARG 44 CO 0.27 -0.23 0.68 0.34 0.02 0.00 0.00 175.30 176.37 2c46 n PHE 45 N -0.85 -2.19 -2.13 -0.53 7.35 -1.26 -5.08 117.46 112.77 2c46 n PHE 45 Ca 0.08 -2.46 -0.31 0.00 -0.76 0.00 0.00 57.45 54.00 2c46 n PHE 45 Cb 0.53 0.78 -0.01 0.00 0.35 0.00 0.00 39.48 41.14 2c46 n PHE 45 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 2c46 s HIS 46 N 0.06 3.55 0.33 -5.13 3.76 -1.24 -1.11 115.29 115.50 2c46 s HIS 46 Ca 0.33 1.35 0.10 0.00 -0.15 0.00 0.00 55.06 56.68 2c46 s HIS 46 Cb 0.15 -2.73 0.88 0.00 1.11 0.00 0.00 32.58 31.98 2c46 s HIS 46 CO -0.17 -0.53 1.75 -1.35 -0.85 0.00 0.00 174.74 173.59 2c46 h PRO 47 N 0.25 0.59 -0.62 8.40 0.11 -1.94 0.38 132.00 139.16 2c46 h PRO 47 Ca -0.45 -0.04 0.15 0.00 0.11 0.00 0.00 66.00 65.77 2c46 h PRO 47 Cb 1.19 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 2c46 h PRO 47 CO 0.62 0.39 0.43 0.66 -0.21 0.00 0.00 178.00 179.89 2c46 h SER 48 N 0.60 0.19 -0.16 -2.05 4.64 -1.92 -0.11 113.55 114.74 2c46 h SER 48 Ca 0.62 0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.86 2c46 h SER 48 Cb 1.17 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 2c46 h SER 48 CO -0.42 0.10 -0.17 -0.03 -0.87 0.00 0.00 176.83 175.43 2c46 h MET 49 N 0.20 0.57 -0.02 4.77 -1.53 -1.28 -0.98 114.93 116.66 2c46 h MET 49 Ca 0.30 -0.19 -0.01 0.00 -3.44 0.00 0.00 59.70 56.36 2c46 h MET 49 Cb 0.91 -0.05 -0.00 0.00 -0.55 0.00 0.00 31.60 31.91 2c46 h MET 49 CO -0.05 0.72 -0.02 1.25 0.14 0.00 0.00 176.91 178.94 2c46 h LEU 50 N 0.52 0.05 -1.41 3.39 5.85 -1.06 -2.32 115.31 120.32 2c46 h LEU 50 Ca 0.09 -0.49 -0.06 0.00 0.84 0.00 0.00 57.88 58.25 2c46 h LEU 50 Cb 0.59 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2c46 h LEU 50 CO 0.04 0.53 -0.27 0.77 -0.34 0.00 0.00 178.44 179.17 2c46 h SER 51 N -0.43 0.03 -0.40 1.25 4.64 -1.38 -1.10 113.55 116.16 2c46 h SER 51 Ca 0.00 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2c46 h SER 51 Cb 0.52 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 2c46 h SER 51 CO 0.01 0.30 0.11 0.78 -0.87 0.00 0.00 176.83 177.15 2c46 h ASN 52 N 0.03 0.61 -0.97 4.97 2.35 -1.18 -2.01 115.58 119.39 2c46 h ASN 52 Ca 0.00 -0.23 0.02 0.00 -0.55 0.00 0.00 56.30 55.55 2c46 h ASN 52 Cb 0.50 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.66 2c46 h ASN 52 CO 0.04 0.67 0.64 0.22 -1.65 0.00 0.00 177.43 177.35 2c46 h TYR 53 N 0.51 1.20 -0.47 1.19 3.20 -0.82 -2.41 116.97 119.37 2c46 h TYR 53 Ca 0.13 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 2c46 h TYR 53 Cb 0.30 -0.40 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 2c46 h TYR 53 CO 0.02 0.72 0.12 -0.07 -1.64 0.00 0.00 178.16 177.31 2c46 h LEU 54 N 1.26 0.71 -1.85 2.82 3.38 -0.98 -0.90 115.31 119.75 2c46 h LEU 54 Ca 0.37 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 58.15 2c46 h LEU 54 Cb -0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2c46 h LEU 54 CO -0.10 0.75 0.17 0.11 0.09 0.00 0.00 178.44 179.45 2c46 h LYS 55 N 0.63 0.19 -0.08 1.13 1.57 -1.23 -2.12 116.57 116.66 2c46 h LYS 55 Ca 0.15 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2c46 h LYS 55 Cb 0.31 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2c46 h LYS 55 CO -0.00 0.13 -0.16 0.66 -0.57 0.00 0.00 179.45 179.51 2c46 h SER 56 N 0.20 0.28 0.10 0.86 4.64 -0.79 -2.83 113.55 116.01 2c46 h SER 56 Ca 0.11 -0.56 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2c46 h SER 56 Cb 0.18 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2c46 h SER 56 CO -0.02 0.79 0.00 0.18 -0.87 0.00 0.00 176.83 176.91 2c46 n LEU 57 N -4.59 0.18 -3.87 5.97 4.32 -0.44 -4.86 117.00 113.72 2c46 n LEU 57 Ca -0.07 0.58 -0.27 0.00 -0.02 0.00 0.00 56.01 56.22 2c46 n LEU 57 Cb 0.38 -0.59 0.02 0.00 -1.62 0.00 0.00 43.42 41.61 2c46 n LEU 57 CO 0.38 -0.59 -0.01 0.29 -1.22 0.00 0.00 177.39 176.24 2c46 n LYS 58 N -1.74 -4.82 -3.86 3.23 4.76 -0.82 -4.99 118.16 109.93 2c46 n LYS 58 Ca 0.00 0.56 -0.12 0.00 -2.87 0.00 0.00 58.31 55.88 2c46 n LYS 58 Cb 0.04 -5.21 -0.13 0.00 -1.84 0.00 0.00 35.03 27.89 2c46 n LYS 58 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2c46 s VAL 59 N -3.52 0.01 0.05 -0.18 1.01 -1.05 -5.06 120.40 111.66 2c46 s VAL 59 Ca 0.35 -0.10 -0.19 0.00 0.00 0.00 0.00 61.98 62.04 2c46 s VAL 59 Cb -0.18 -0.12 -0.06 0.00 0.00 0.00 0.00 36.38 36.02 2c46 s VAL 59 CO 0.84 -0.05 0.56 -0.75 0.00 0.00 0.00 175.10 175.69 2c46 s LYS 60 N -0.14 4.19 -0.25 2.72 2.47 -1.26 -4.53 119.74 122.94 2c46 s LYS 60 Ca -0.02 0.70 -0.13 0.00 -1.56 0.00 0.00 55.97 54.96 2c46 s LYS 60 Cb -0.01 -3.26 -0.04 0.00 -1.46 0.00 0.00 37.83 33.06 2c46 s LYS 60 CO 0.00 0.60 0.28 1.41 0.16 0.00 0.00 175.35 177.80 2c46 s MET 61 N -0.94 4.05 0.06 4.03 0.00 -1.26 -1.14 119.30 124.11 2c46 s MET 61 Ca 0.29 -0.08 0.06 0.00 0.00 0.00 0.00 55.69 55.96 2c46 s MET 61 Cb -0.19 -3.60 -0.23 0.00 0.00 0.00 0.00 34.83 30.81 2c46 s MET 61 CO 0.18 -0.11 1.08 0.78 0.00 0.00 0.00 175.02 176.94 2c46 h GLY 62 N 8.04 0.06 -5.24 2.11 0.00 -1.29 -3.40 103.07 103.35 2c46 h GLY 62 Ca -0.35 -0.16 -0.13 0.00 0.00 0.00 0.00 47.33 46.69 2c46 h GLY 62 CO 0.64 0.14 -0.27 -2.27 0.00 0.00 0.00 176.54 174.79 2c46 s LEU 63 N -6.64 0.54 -0.17 3.11 2.96 -1.24 -1.16 118.68 116.08 2c46 s LEU 63 Ca -0.02 0.76 0.01 0.00 -0.22 0.00 0.00 54.13 54.66 2c46 s LEU 63 Cb 0.09 1.32 0.02 0.00 0.50 0.00 0.00 46.19 48.11 2c46 s LEU 63 CO 0.83 -0.14 -0.20 -0.22 -1.32 0.00 0.00 176.35 175.30 2c46 s LEU 64 N 0.17 2.17 -0.32 -0.68 2.96 0.00 -0.06 118.68 122.92 2c46 s LEU 64 Ca -0.00 -0.62 -0.12 0.00 -0.22 0.00 0.00 54.13 53.17 2c46 s LEU 64 Cb -0.03 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.16 2c46 s LEU 64 CO 0.01 0.03 0.20 -0.69 -1.32 0.00 0.00 176.35 174.58 2c46 s VAL 65 N 1.14 5.09 -0.34 1.68 1.01 0.44 -1.70 120.40 127.72 2c46 s VAL 65 Ca 0.01 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.68 2c46 s VAL 65 Cb -0.14 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 2c46 s VAL 65 CO -0.09 0.07 0.23 -0.62 0.00 0.00 0.00 175.10 174.69 2c46 s ASP 66 N 1.70 5.97 0.00 3.32 -1.08 -0.31 -1.43 116.67 124.83 2c46 s ASP 66 Ca 0.06 -0.45 0.23 0.00 -0.52 0.00 0.00 52.55 51.87 2c46 s ASP 66 Cb -0.17 -2.11 0.48 0.00 -1.46 0.00 0.00 42.92 39.66 2c46 s ASP 66 CO 0.09 -0.23 1.44 0.18 0.52 0.00 0.00 175.17 177.17 2c46 n LEU 67 N 5.08 3.56 -4.89 -1.34 4.77 0.82 -0.55 117.00 124.45 2c46 n LEU 67 Ca -0.13 -1.59 -0.30 0.00 -0.03 0.00 0.00 56.01 53.97 2c46 n LEU 67 Cb 0.50 -0.30 0.06 0.00 -2.33 0.00 0.00 43.42 41.35 2c46 n LEU 67 CO 0.36 0.79 0.76 0.42 -1.33 0.00 0.00 177.39 178.39 2c46 s THR 68 N -1.40 2.94 -0.25 -5.08 -4.23 -1.26 -4.56 115.64 101.79 2c46 s THR 68 Ca 0.41 0.28 0.13 0.00 -1.18 0.00 0.00 61.69 61.34 2c46 s THR 68 Cb 0.23 -3.30 0.71 0.00 1.34 0.00 0.00 72.50 71.48 2c46 s THR 68 CO 0.32 -0.39 1.67 0.59 -0.54 0.00 0.00 174.62 176.27 2c46 n ASN 69 N -3.11 4.79 -3.88 3.99 3.02 -1.26 -4.71 115.26 114.10 2c46 n ASN 69 Ca 0.07 -3.10 -0.10 0.00 -0.03 0.00 0.00 54.58 51.42 2c46 n ASN 69 Cb 0.59 -0.67 -0.09 0.00 -0.61 0.00 0.00 39.78 39.00 2c46 n ASN 69 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2c46 s THR 70 N -2.89 0.12 -0.49 3.41 -1.32 -1.26 -5.03 115.64 108.17 2c46 s THR 70 Ca 0.51 -0.98 0.15 0.00 -1.21 0.00 0.00 61.69 60.16 2c46 s THR 70 Cb 0.41 -0.90 0.52 0.00 -1.51 0.00 0.00 72.50 71.01 2c46 s THR 70 CO 0.12 -0.54 1.43 -1.54 -2.21 0.00 0.00 174.62 171.88 2c46 n SER 71 N 0.73 3.89 0.07 8.08 3.41 -1.26 -4.66 113.62 123.88 2c46 n SER 71 Ca -0.19 -2.68 0.12 0.00 -0.26 0.00 0.00 58.87 55.87 2c46 n SER 71 Cb 0.59 -0.48 0.28 0.00 -0.26 0.00 0.00 64.21 64.33 2c46 n SER 71 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2c46 n ARG 72 N 0.04 0.26 0.01 4.33 1.85 -1.26 -1.87 116.66 120.02 2c46 n ARG 72 Ca 0.20 0.13 -0.18 0.00 -1.00 0.00 0.00 57.85 56.99 2c46 n ARG 72 Cb 0.80 -1.71 -0.12 0.00 -1.05 0.00 0.00 32.46 30.37 2c46 n ARG 72 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 2c46 h PHE 73 N 0.00 0.59 -3.47 2.89 0.04 -1.88 -3.40 116.94 111.72 2c46 h PHE 73 Ca 0.00 -0.35 -0.05 0.00 2.80 0.00 0.00 57.97 60.37 2c46 h PHE 73 Cb 0.72 -0.06 -0.12 0.00 2.20 0.00 0.00 35.95 38.70 2c46 h PHE 73 CO 0.00 1.19 -0.09 1.52 -0.60 0.00 0.00 178.31 180.33 2c46 s TYR 74 N -3.03 -0.03 -0.41 -0.55 1.13 -1.26 -0.56 117.35 112.65 2c46 s TYR 74 Ca -0.13 -0.32 -0.29 0.00 -1.41 0.00 0.00 57.07 54.92 2c46 s TYR 74 Cb 0.03 0.24 0.02 0.00 -1.10 0.00 0.00 41.96 41.15 2c46 s TYR 74 CO 0.82 -0.80 1.20 0.34 -2.51 0.00 0.00 175.55 174.61 2c46 s ASP 75 N -2.87 6.65 0.56 -0.18 2.15 -1.26 -4.77 116.67 116.94 2c46 s ASP 75 Ca 0.09 0.76 0.27 0.00 0.43 0.00 0.00 52.55 54.10 2c46 s ASP 75 Cb 0.01 -2.55 1.49 0.00 -0.30 0.00 0.00 42.92 41.57 2c46 s ASP 75 CO -0.05 -1.19 1.99 0.08 -0.17 0.00 0.00 175.17 175.83 2c46 h ARG 76 N 9.28 0.00 0.00 4.34 0.11 -2.00 -0.75 114.38 125.36 2c46 h ARG 76 Ca -0.24 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.83 2c46 h ARG 76 Cb 1.07 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.15 2c46 h ARG 76 CO 1.09 0.00 -0.08 -0.97 0.10 0.00 0.00 179.97 180.11 2c46 h ASN 77 N 0.00 0.00 0.50 0.08 -1.24 -1.98 -1.14 115.58 111.80 2c46 h ASN 77 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.22 2c46 h ASN 77 Cb 0.95 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.00 2c46 h ASN 77 CO -0.00 0.08 0.00 0.44 -1.29 0.00 0.00 177.43 176.66 2c46 h ASP 78 N 0.00 0.00 0.03 1.15 3.32 -1.53 0.78 116.42 120.16 2c46 h ASP 78 Ca -0.00 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 2c46 h ASP 78 Cb 0.24 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2c46 h ASP 78 CO 0.01 0.00 -1.58 -0.38 -1.72 0.00 0.00 179.24 175.57 2c46 n ILE 79 N -2.95 1.59 0.01 0.35 2.08 -0.50 -4.39 119.36 115.54 2c46 n ILE 79 Ca -0.01 -0.22 -0.04 0.00 0.56 0.00 0.00 62.75 63.05 2c46 n ILE 79 Cb 0.18 -1.94 0.19 0.00 -0.75 0.00 0.00 39.64 37.32 2c46 n ILE 79 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2c46 h GLU 80 N -0.73 0.49 0.00 0.38 5.08 -0.94 -2.54 114.58 116.31 2c46 h GLU 80 Ca -0.41 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 57.75 2c46 h GLU 80 Cb 1.51 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.74 2c46 h GLU 80 CO -0.16 0.72 -0.07 1.57 -1.00 0.00 0.00 179.01 180.06 2c46 h LYS 81 N 0.43 0.00 -0.01 2.33 2.10 -1.08 -0.68 116.57 119.66 2c46 h LYS 81 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 2c46 h LYS 81 Cb 0.70 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 2c46 h LYS 81 CO 0.05 0.07 0.00 0.39 -2.00 0.00 0.00 179.45 177.97 2c46 n GLU 82 N -3.42 1.11 -0.84 0.07 -0.58 -0.96 -4.91 120.64 111.10 2c46 n GLU 82 Ca -0.02 -0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 2c46 n GLU 82 Cb 0.22 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 2c46 n GLU 82 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2c46 n GLY 83 N 0.93 0.52 3.72 0.62 0.00 -0.26 -5.05 105.19 105.67 2c46 n GLY 83 Ca 0.18 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 2c46 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c46 s ILE 84 N -2.00 5.30 0.19 -0.61 1.01 -1.21 -4.89 121.20 118.99 2c46 s ILE 84 Ca 0.00 0.56 -0.30 0.00 0.00 0.00 0.00 60.65 60.91 2c46 s ILE 84 Cb 0.00 -3.64 -0.08 0.00 0.01 0.00 0.00 42.46 38.75 2c46 s ILE 84 CO 0.00 0.37 1.25 -0.75 0.00 0.00 0.00 174.94 175.81 2c46 s LYS 85 N 0.55 4.44 -0.15 2.79 2.20 -0.31 -3.87 119.74 125.40 2c46 s LYS 85 Ca 0.17 1.95 -0.02 0.00 -0.36 0.00 0.00 55.97 57.71 2c46 s LYS 85 Cb -0.13 -3.22 -0.02 0.00 -1.51 0.00 0.00 37.83 32.95 2c46 s LYS 85 CO 0.04 -0.17 -0.08 -0.47 -0.36 0.00 0.00 175.35 174.31 2c46 s TYR 86 N 0.05 2.91 -0.03 4.03 6.14 -1.26 -0.82 117.35 128.37 2c46 s TYR 86 Ca 0.55 -0.53 0.00 0.00 0.64 0.00 0.00 57.07 57.73 2c46 s TYR 86 Cb -0.34 -1.92 0.03 0.00 0.42 0.00 0.00 41.96 40.15 2c46 s TYR 86 CO 0.37 -0.17 0.00 0.42 0.64 0.00 0.00 175.55 176.81 2c46 s ILE 87 N 0.46 0.18 0.03 3.14 -1.09 -0.69 -4.99 121.20 118.25 2c46 s ILE 87 Ca -0.07 0.11 -0.26 0.00 -2.23 0.00 0.00 60.65 58.20 2c46 s ILE 87 Cb -0.15 -0.29 -0.05 0.00 -1.58 0.00 0.00 42.46 40.39 2c46 s ILE 87 CO 0.04 0.16 0.80 -0.75 -1.23 0.00 0.00 174.94 173.95 2c46 s LYS 88 N 1.16 4.52 -0.30 2.79 2.20 -1.26 -1.16 119.74 127.68 2c46 s LYS 88 Ca -0.08 1.12 -0.00 0.00 -0.36 0.00 0.00 55.97 56.65 2c46 s LYS 88 Cb -0.13 -3.38 0.10 0.00 -1.51 0.00 0.00 37.83 32.90 2c46 s LYS 88 CO -0.02 0.22 0.08 -1.17 -0.36 0.00 0.00 175.35 174.10 2c46 s LEU 89 N 0.16 2.59 -0.29 5.43 0.20 0.28 -4.92 118.68 122.13 2c46 s LEU 89 Ca 0.41 -1.65 -0.21 0.00 0.69 0.00 0.00 54.13 53.36 2c46 s LEU 89 Cb -0.20 -0.98 -0.01 0.00 -0.43 0.00 0.00 46.19 44.56 2c46 s LEU 89 CO 0.24 -0.40 0.67 -1.10 -0.29 0.00 0.00 176.35 175.47 2c46 s GLN 90 N 1.51 3.98 0.50 1.98 -0.21 -1.26 -4.22 119.66 121.94 2c46 s GLN 90 Ca 0.09 0.44 -0.02 0.00 0.02 0.00 0.00 55.36 55.89 2c46 s GLN 90 Cb -0.18 -3.70 0.00 0.00 1.00 0.00 0.00 33.01 30.13 2c46 s GLN 90 CO -0.21 -0.55 0.76 0.00 -2.12 0.00 0.00 175.29 173.17 2c46 n LYS 92 N -2.26 1.91 0.00 0.00 3.00 -1.26 -5.00 118.16 114.54 2c46 n LYS 92 Ca 0.03 0.67 0.00 0.00 -0.00 0.00 0.00 58.31 59.01 2c46 n LYS 92 Cb 0.58 -2.23 0.00 0.00 0.00 0.00 0.00 35.03 33.38 2c46 n LYS 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2c46 n GLY 93 N 1.30 1.49 3.01 3.14 0.00 -1.26 -4.39 105.19 108.48 2c46 n GLY 93 Ca 0.08 -1.91 -0.22 0.00 0.00 0.00 0.00 46.02 43.98 2c46 n GLY 93 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2c46 n HIS 94 N 0.00 -1.79 -0.93 1.61 -0.00 -1.26 -2.06 115.22 110.78 2c46 n HIS 94 Ca 0.00 0.42 0.00 0.00 -0.00 0.00 0.00 57.72 58.14 2c46 n HIS 94 Cb 0.00 -3.92 0.00 0.00 -0.00 0.00 0.00 29.99 26.07 2c46 n HIS 94 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2c46 n GLY 95 N -1.33 0.59 3.80 1.57 0.00 -1.26 -4.99 105.19 103.56 2c46 n GLY 95 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 2c46 n GLY 95 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c46 s GLU 96 N -0.35 2.89 0.46 1.61 2.02 -0.88 -5.02 118.70 119.44 2c46 s GLU 96 Ca 0.00 1.15 -0.23 0.00 0.02 0.00 0.00 54.97 55.91 2c46 s GLU 96 Cb 0.00 -1.98 -0.07 0.00 0.10 0.00 0.00 34.13 32.18 2c46 s GLU 96 CO 0.00 -1.15 1.21 0.00 0.02 0.00 0.00 175.26 175.34 2c46 n PRO 98 N -0.40 1.13 -1.50 0.00 -0.02 -1.26 -4.79 135.00 128.16 2c46 n PRO 98 Ca 0.07 0.40 -0.29 0.00 -2.02 0.00 0.00 63.50 61.66 2c46 n PRO 98 Cb 0.47 -1.91 0.16 0.00 -0.02 0.00 0.00 33.50 32.21 2c46 n PRO 98 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2c46 s THR 99 N -0.15 1.93 0.42 3.45 -4.23 -1.26 -4.81 115.64 110.98 2c46 s THR 99 Ca 0.74 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 61.34 2c46 s THR 99 Cb -0.87 -2.73 0.23 0.00 1.34 0.00 0.00 72.50 70.48 2c46 s THR 99 CO 0.52 0.00 2.02 0.71 -0.54 0.00 0.00 174.62 177.33 2c46 h THR 100 N -1.74 1.11 -0.09 3.99 1.35 -1.99 -0.53 112.91 115.02 2c46 h THR 100 Ca -0.49 -0.35 -0.01 0.00 -0.55 0.00 0.00 66.41 65.00 2c46 h THR 100 Cb 1.31 0.80 -0.00 0.00 -1.73 0.00 0.00 68.15 68.53 2c46 h THR 100 CO 0.53 0.13 -0.00 -0.33 -0.25 0.00 0.00 175.52 175.60 2c46 h GLU 101 N 0.38 0.15 -0.98 4.72 3.07 -1.99 -2.13 114.58 117.80 2c46 h GLU 101 Ca 0.10 -0.05 0.10 0.00 -0.50 0.00 0.00 59.36 59.01 2c46 h GLU 101 Cb 0.09 -0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 27.91 2c46 h GLU 101 CO -0.01 0.43 0.61 -0.91 -1.40 0.00 0.00 179.01 177.73 2c46 h ASN 102 N -0.14 0.92 -0.10 1.42 -0.26 -1.77 -0.68 115.58 114.97 2c46 h ASN 102 Ca 0.02 0.04 -0.23 0.00 -0.56 0.00 0.00 56.30 55.57 2c46 h ASN 102 Cb 0.36 -0.15 0.01 0.00 -1.06 0.00 0.00 38.32 37.49 2c46 h ASN 102 CO 0.01 0.51 -0.84 0.71 -1.06 0.00 0.00 177.43 176.76 2c46 h THR 103 N 1.01 1.29 -0.62 2.81 1.35 -1.09 -1.85 112.91 115.80 2c46 h THR 103 Ca 0.47 -2.05 0.01 0.00 -0.55 0.00 0.00 66.41 64.28 2c46 h THR 103 Cb 0.40 2.14 -0.03 0.00 -1.73 0.00 0.00 68.15 68.93 2c46 h THR 103 CO -0.24 0.64 0.41 -0.08 -0.25 0.00 0.00 175.52 176.00 2c46 h GLU 104 N 0.45 0.81 -0.12 4.72 4.57 -1.09 -1.02 114.58 122.90 2c46 h GLU 104 Ca -0.08 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 2c46 h GLU 104 Cb 1.48 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.88 2c46 h GLU 104 CO 0.17 0.54 0.08 1.15 -1.18 0.00 0.00 179.01 179.77 2c46 h THR 105 N 0.84 1.04 -0.11 0.32 2.02 -1.00 -1.72 112.91 114.29 2c46 h THR 105 Ca 0.23 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.34 2c46 h THR 105 Cb -0.09 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 2c46 h THR 105 CO -0.05 0.04 -0.05 0.15 0.37 0.00 0.00 175.52 175.98 2c46 h PHE 106 N 0.15 -0.11 -0.74 3.16 3.57 -1.18 -1.82 116.94 119.96 2c46 h PHE 106 Ca 0.04 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.59 2c46 h PHE 106 Cb 0.00 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 2c46 h PHE 106 CO -0.06 -0.08 0.47 0.82 -2.23 0.00 0.00 178.31 177.22 2c46 h ILE 107 N -0.03 1.11 -0.27 1.41 2.04 -1.05 -1.38 117.51 119.33 2c46 h ILE 107 Ca 0.06 -0.31 -0.12 0.00 1.00 0.00 0.00 64.86 65.49 2c46 h ILE 107 Cb 0.13 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 2c46 h ILE 107 CO -0.14 0.17 -0.33 0.03 0.00 0.00 0.00 178.15 177.88 2c46 h ARG 108 N 0.91 0.58 -0.14 2.37 2.47 -1.17 -1.21 114.38 118.18 2c46 h ARG 108 Ca 0.30 -0.26 -0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2c46 h ARG 108 Cb 0.02 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 2c46 h ARG 108 CO -0.11 0.83 0.08 1.25 0.56 0.00 0.00 179.97 182.58 2c46 h LEU 109 N 0.49 0.18 0.01 3.04 5.85 -0.92 -3.31 115.31 120.64 2c46 h LEU 109 Ca 0.06 -0.07 -0.27 0.00 0.84 0.00 0.00 57.88 58.43 2c46 h LEU 109 Cb 0.80 -0.05 0.02 0.00 0.37 0.00 0.00 40.66 41.81 2c46 h LEU 109 CO 0.07 0.20 -1.12 0.00 -0.34 0.00 0.00 178.44 177.25 2c46 n GLU 111 N -3.77 0.18 0.00 0.00 0.28 -0.47 0.89 120.64 117.75 2c46 n GLU 111 Ca -0.11 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.01 2c46 n GLU 111 Cb 0.93 -1.27 0.19 0.00 1.43 0.00 0.00 31.44 32.71 2c46 n GLU 111 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2c46 n ARG 112 N -0.77 0.93 -4.38 3.44 1.74 -1.22 -5.09 116.66 111.32 2c46 n ARG 112 Ca 0.02 -0.67 -0.21 0.00 -0.77 0.00 0.00 57.85 56.22 2c46 n ARG 112 Cb 0.01 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 29.83 2c46 n ARG 112 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2c46 s PHE 113 N -2.53 1.38 -0.07 -1.55 0.40 0.26 -5.17 117.98 110.70 2c46 s PHE 113 Ca 0.21 -0.38 -0.20 0.00 -0.60 0.00 0.00 56.93 55.96 2c46 s PHE 113 Cb 0.19 -0.81 -0.04 0.00 0.51 0.00 0.00 43.02 42.86 2c46 s PHE 113 CO 0.57 0.06 0.55 -2.14 0.70 0.00 0.00 175.22 174.96 2c46 s PRO 119 N -1.30 4.34 -0.02 0.24 0.02 -1.26 -4.90 135.00 132.13 2c46 s PRO 119 Ca 0.03 0.62 0.05 0.00 0.02 0.00 0.00 61.00 61.71 2c46 s PRO 119 Cb -0.08 -3.40 -0.01 0.00 0.02 0.00 0.00 34.50 31.02 2c46 s PRO 119 CO 0.02 0.21 -0.16 -1.21 -0.33 0.00 0.00 177.00 175.53 2c46 s GLU 120 N 0.38 1.34 0.54 5.54 2.02 -1.26 -4.54 118.70 122.72 2c46 s GLU 120 Ca 0.30 -0.57 -0.15 0.00 0.02 0.00 0.00 54.97 54.56 2c46 s GLU 120 Cb -0.17 -1.28 -0.07 0.00 0.10 0.00 0.00 34.13 32.72 2c46 s GLU 120 CO 0.14 0.33 1.00 -0.51 0.02 0.00 0.00 175.26 176.24 2c46 s LEU 121 N -0.32 3.53 -0.23 1.80 1.43 -0.29 -4.74 118.68 119.87 2c46 s LEU 121 Ca 0.05 1.54 -0.02 0.00 -1.03 0.00 0.00 54.13 54.67 2c46 s LEU 121 Cb -0.07 -4.50 0.01 0.00 0.03 0.00 0.00 46.19 41.66 2c46 s LEU 121 CO -0.00 -0.67 -0.08 -0.63 0.23 0.00 0.00 176.35 175.20 2c46 s ILE 122 N -2.74 2.91 0.38 -0.59 1.01 -0.55 -0.87 121.20 120.75 2c46 s ILE 122 Ca 0.58 -0.82 -0.24 0.00 0.00 0.00 0.00 60.65 60.17 2c46 s ILE 122 Cb -0.10 -2.39 -0.10 0.00 0.01 0.00 0.00 42.46 39.88 2c46 s ILE 122 CO 0.36 0.33 0.98 -0.83 0.00 0.00 0.00 174.94 175.79 2c46 s GLY 123 N 1.37 2.67 -0.05 6.18 0.00 0.91 -0.73 107.32 117.68 2c46 s GLY 123 Ca 0.03 0.55 -0.02 0.00 0.00 0.00 0.00 44.72 45.28 2c46 s GLY 123 CO -0.06 0.95 0.10 0.14 0.00 0.00 0.00 173.10 174.23 2c46 s VAL 124 N -1.78 -0.09 -0.01 1.40 1.01 -0.59 -0.42 120.40 119.92 2c46 s VAL 124 Ca 0.56 0.25 -0.02 0.00 0.00 0.00 0.00 61.98 62.77 2c46 s VAL 124 Cb -0.17 -0.19 -0.00 0.00 0.00 0.00 0.00 36.38 36.02 2c46 s VAL 124 CO 0.22 0.10 0.04 -1.38 0.00 0.00 0.00 175.10 174.09 2c46 s HIS 125 N 1.44 0.04 0.00 5.22 -3.43 -0.52 -2.06 115.29 115.99 2c46 s HIS 125 Ca -0.05 -0.08 0.00 0.00 -0.80 0.00 0.00 55.06 54.12 2c46 s HIS 125 Cb -0.12 -0.05 0.00 0.00 -1.43 0.00 0.00 32.58 30.98 2c46 s HIS 125 CO -0.05 -0.11 0.00 0.00 -2.00 0.00 0.00 174.74 172.58 2c46 h THR 127 N 0.00 1.38 0.00 0.00 2.02 -1.90 -2.76 112.91 111.64 2c46 h THR 127 Ca 0.00 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.04 2c46 h THR 127 Cb 0.00 2.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 2c46 h THR 127 CO 0.00 0.30 -1.17 1.41 0.37 0.00 0.00 175.52 176.43 2c46 n HIS 128 N -4.82 0.00 -1.72 3.16 8.25 -1.26 -1.42 115.22 117.42 2c46 n HIS 128 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2c46 n HIS 128 Cb 0.26 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.20 2c46 n HIS 128 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2c46 n GLY 129 N 1.63 0.62 1.07 -1.41 0.00 -1.24 -3.59 105.19 102.27 2c46 n GLY 129 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2c46 n GLY 129 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2c46 n PHE 130 N -3.51 -0.06 -0.04 1.61 3.72 -1.26 -4.55 117.46 113.36 2c46 n PHE 130 Ca 0.00 0.01 -0.01 0.00 -0.05 0.00 0.00 57.45 57.40 2c46 n PHE 130 Cb 0.43 0.02 -0.00 0.00 -0.94 0.00 0.00 39.48 38.98 2c46 n PHE 130 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2c46 h ASN 131 N 0.00 0.00 -0.26 4.37 2.35 -1.94 -1.70 115.58 118.39 2c46 h ASN 131 Ca 0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 2c46 h ASN 131 Cb 0.22 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 2c46 h ASN 131 CO 0.00 0.39 -0.19 0.03 -1.65 0.00 0.00 177.43 176.01 2c46 h ARG 132 N -0.65 0.72 0.26 0.81 3.08 -1.99 -0.51 114.38 116.11 2c46 h ARG 132 Ca 0.00 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 2c46 h ARG 132 Cb 0.13 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2c46 h ARG 132 CO 0.00 0.86 -0.12 1.15 -1.07 0.00 0.00 179.97 180.78 2c46 h THR 133 N 0.64 0.76 -0.32 2.04 2.02 -1.88 -2.40 112.91 113.75 2c46 h THR 133 Ca 0.10 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 2c46 h THR 133 Cb 0.67 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 2c46 h THR 133 CO 0.05 0.02 0.19 1.23 0.37 0.00 0.00 175.52 177.38 2c46 h GLY 134 N -0.38 0.47 0.38 2.16 0.00 -1.24 -1.91 103.07 102.55 2c46 h GLY 134 Ca -0.04 -0.20 0.07 0.00 0.00 0.00 0.00 47.33 47.16 2c46 h GLY 134 CO 0.06 0.19 -0.04 -2.75 0.00 0.00 0.00 176.54 174.00 2c46 h PHE 135 N 0.42 -0.09 -0.33 5.60 3.04 -0.96 -0.53 116.94 124.08 2c46 h PHE 135 Ca 0.12 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 61.96 2c46 h PHE 135 Cb 0.02 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.61 2c46 h PHE 135 CO -0.04 -0.10 -0.32 -0.07 -2.02 0.00 0.00 178.31 175.76 2c46 h LEU 136 N 0.05 0.86 -0.56 0.59 3.38 -1.38 -1.08 115.31 117.18 2c46 h LEU 136 Ca 0.17 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2c46 h LEU 136 Cb 0.25 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2c46 h LEU 136 CO -0.32 1.14 0.36 0.40 0.09 0.00 0.00 178.44 180.11 2c46 h ILE 137 N 0.58 1.15 -0.49 1.22 2.04 -1.14 -2.22 117.51 118.66 2c46 h ILE 137 Ca 0.06 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 2c46 h ILE 137 Cb 0.89 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2c46 h ILE 137 CO 0.08 0.15 0.19 0.00 0.00 0.00 0.00 178.15 178.57 2c46 h ALA 139 N 1.04 1.31 -0.14 0.00 0.00 -1.07 -1.27 119.26 119.13 2c46 h ALA 139 Ca 0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2c46 h ALA 139 Cb 0.20 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2c46 h ALA 139 CO -0.01 0.63 -0.03 0.35 0.00 0.00 0.00 179.25 180.19 2c46 h PHE 140 N 1.32 0.30 -1.00 0.00 3.04 -1.10 0.19 116.94 119.70 2c46 h PHE 140 Ca 0.37 -0.06 0.09 0.00 3.98 0.00 0.00 57.97 62.35 2c46 h PHE 140 Cb -0.11 -0.07 -0.07 0.00 2.56 0.00 0.00 35.95 38.25 2c46 h PHE 140 CO -0.00 0.54 0.64 -0.07 -2.02 0.00 0.00 178.31 177.40 2c46 h LEU 141 N -0.03 0.99 0.04 0.59 3.38 -1.00 0.16 115.31 119.45 2c46 h LEU 141 Ca 0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2c46 h LEU 141 Cb 0.44 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2c46 h LEU 141 CO 0.01 0.59 -0.02 0.58 0.09 0.00 0.00 178.44 179.70 2c46 h VAL 142 N 1.10 1.28 -0.18 1.22 2.07 -0.98 -2.03 116.25 118.73 2c46 h VAL 142 Ca 0.46 -1.72 -0.19 0.00 0.82 0.00 0.00 66.70 66.07 2c46 h VAL 142 Cb 0.29 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2c46 h VAL 142 CO -0.21 0.39 -0.65 -0.33 0.02 0.00 0.00 177.57 176.80 2c46 h GLU 143 N -0.90 0.68 0.05 1.57 5.08 -0.51 -2.32 114.58 118.23 2c46 h GLU 143 Ca -0.01 -0.48 -0.38 0.00 -1.00 0.00 0.00 59.36 57.49 2c46 h GLU 143 Cb 0.68 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 2c46 h GLU 143 CO 0.01 1.10 -2.25 1.17 -1.00 0.00 0.00 179.01 178.04 2c46 n LYS 144 N -3.94 0.69 -0.19 2.33 3.00 0.56 -4.53 118.16 116.08 2c46 n LYS 144 Ca -0.05 0.21 0.09 0.00 -0.00 0.00 0.00 58.31 58.57 2c46 n LYS 144 Cb 0.67 -1.60 0.19 0.00 0.00 0.00 0.00 35.03 34.29 2c46 n LYS 144 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2c46 n MET 145 N -3.42 2.37 -2.41 1.64 2.81 -1.03 -4.98 117.12 112.10 2c46 n MET 145 Ca -0.40 -2.14 -0.18 0.00 -1.81 0.00 0.00 57.70 53.17 2c46 n MET 145 Cb 1.00 -1.42 -0.01 0.00 -0.71 0.00 0.00 33.22 32.09 2c46 n MET 145 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2c46 n ASP 146 N 1.14 -5.29 -4.78 7.83 2.03 -0.87 -4.93 116.55 111.69 2c46 n ASP 146 Ca 0.16 0.05 -0.33 0.00 0.52 0.00 0.00 54.79 55.19 2c46 n ASP 146 Cb 0.52 -4.42 0.04 0.00 -0.72 0.00 0.00 41.12 36.53 2c46 n ASP 146 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 2c46 s TRP 147 N -2.91 2.69 0.47 -0.67 0.52 -0.79 -4.98 118.94 113.27 2c46 s TRP 147 Ca 0.00 1.54 -0.22 0.00 0.02 0.00 0.00 56.10 57.44 2c46 s TRP 147 Cb 0.00 -3.15 -0.08 0.00 -1.15 0.00 0.00 33.47 29.09 2c46 s TRP 147 CO 0.00 -1.57 1.11 -1.54 0.02 0.00 0.00 176.95 174.97 2c46 s SER 148 N -2.53 6.24 0.35 2.95 1.04 -1.26 -4.42 113.70 116.07 2c46 s SER 148 Ca 0.67 2.16 0.06 0.00 0.48 0.00 0.00 55.95 59.32 2c46 s SER 148 Cb -0.20 -2.59 0.64 0.00 0.10 0.00 0.00 66.02 63.98 2c46 s SER 148 CO 0.39 -0.86 1.86 -0.29 0.98 0.00 0.00 173.24 175.33 2c46 h ILE 149 N 1.76 1.20 -0.11 -1.02 6.09 -1.95 -1.41 117.51 122.06 2c46 h ILE 149 Ca -0.49 -0.87 0.03 0.00 -1.37 0.00 0.00 64.86 62.16 2c46 h ILE 149 Cb 1.24 1.13 -0.04 0.00 0.47 0.00 0.00 36.82 39.62 2c46 h ILE 149 CO 0.60 0.28 -0.10 -0.33 -3.07 0.00 0.00 178.15 175.53 2c46 h GLU 150 N 0.37 -0.12 -0.61 2.19 3.07 -1.94 -0.78 114.58 116.77 2c46 h GLU 150 Ca 0.07 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 2c46 h GLU 150 Cb 0.41 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.32 2c46 h GLU 150 CO 0.02 -0.08 0.39 0.00 -1.40 0.00 0.00 179.01 177.94 2c46 h ALA 151 N 0.96 0.77 0.03 3.43 0.00 -1.83 -2.11 119.26 120.51 2c46 h ALA 151 Ca 0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2c46 h ALA 151 Cb 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2c46 h ALA 151 CO -0.19 0.22 -0.01 0.00 0.00 0.00 0.00 179.25 179.27 2c46 h ALA 152 N 1.21 -0.04 -0.53 0.00 0.00 -1.03 -0.54 119.26 118.33 2c46 h ALA 152 Ca 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2c46 h ALA 152 Cb -0.07 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2c46 h ALA 152 CO -0.05 -0.41 0.30 0.28 0.00 0.00 0.00 179.25 179.38 2c46 h VAL 153 N -0.27 1.17 -0.50 0.00 2.07 -1.13 -1.64 116.25 115.95 2c46 h VAL 153 Ca -0.00 -0.41 -0.10 0.00 0.82 0.00 0.00 66.70 67.01 2c46 h VAL 153 Cb 0.25 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2c46 h VAL 153 CO 0.01 0.18 -0.11 0.00 0.02 0.00 0.00 177.57 177.67 2c46 h ALA 154 N 1.14 0.87 -0.52 1.67 0.00 -1.36 -1.56 119.26 119.50 2c46 h ALA 154 Ca 0.19 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2c46 h ALA 154 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2c46 h ALA 154 CO -0.03 0.64 0.25 1.15 0.00 0.00 0.00 179.25 181.26 2c46 h THR 155 N 0.82 1.20 -0.67 0.00 2.02 -0.81 -0.25 112.91 115.21 2c46 h THR 155 Ca 0.13 -0.55 -0.07 0.00 0.77 0.00 0.00 66.41 66.69 2c46 h THR 155 Cb 0.64 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 2c46 h THR 155 CO 0.04 0.22 0.15 0.15 0.37 0.00 0.00 175.52 176.46 2c46 h PHE 156 N 0.69 1.12 -0.24 3.16 3.57 -1.11 -1.32 116.94 122.81 2c46 h PHE 156 Ca 0.18 -0.13 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 2c46 h PHE 156 Cb 0.12 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 2c46 h PHE 156 CO -0.01 0.92 -0.28 0.00 -2.23 0.00 0.00 178.31 176.72 2c46 h ALA 157 N 1.14 1.08 -0.13 2.41 0.00 -0.95 0.10 119.26 122.90 2c46 h ALA 157 Ca 0.21 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2c46 h ALA 157 Cb 0.37 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2c46 h ALA 157 CO 0.00 0.57 -0.08 0.37 0.00 0.00 0.00 179.25 180.11 2c46 h GLN 158 N 0.42 0.30 -0.17 0.00 5.75 -0.65 -2.72 115.11 118.03 2c46 h GLN 158 Ca 0.06 -0.14 -0.09 0.00 -0.15 0.00 0.00 58.65 58.33 2c46 h GLN 158 Cb 0.70 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.23 2c46 h GLN 158 CO 0.05 0.65 -0.30 0.00 -2.65 0.00 0.00 178.83 176.58 2c46 h ALA 159 N 0.64 1.17 -2.00 3.38 0.00 -1.09 -3.38 119.26 117.98 2c46 h ALA 159 Ca 0.03 -0.35 -0.52 0.00 0.00 0.00 0.00 54.91 54.07 2c46 h ALA 159 Cb 0.57 -0.10 -0.39 0.00 0.00 0.00 0.00 17.79 17.86 2c46 h ALA 159 CO 0.02 0.54 -1.15 -2.13 0.00 0.00 0.00 179.25 176.53 2c46 n ARG 160 N -4.11 0.84 -2.00 0.00 3.00 0.34 -0.90 116.66 113.84 2c46 n ARG 160 Ca -0.01 -3.30 -0.41 0.00 -0.00 0.00 0.00 57.85 54.13 2c46 n ARG 160 Cb 0.41 -1.45 -0.01 0.00 0.00 0.00 0.00 32.46 31.41 2c46 n ARG 160 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2c46 s PRO 161 N -1.79 4.26 -0.00 -0.14 0.04 -1.02 0.39 135.00 136.74 2c46 s PRO 161 Ca 0.37 2.35 0.04 0.00 0.04 0.00 0.00 61.00 63.80 2c46 s PRO 161 Cb 0.26 -3.03 0.12 0.00 0.04 0.00 0.00 34.50 31.88 2c46 s PRO 161 CO -0.10 -0.32 1.09 -0.35 0.04 0.00 0.00 177.00 177.37 2c46 n PRO 162 N 0.70 1.33 0.00 0.56 -0.04 -1.26 -5.03 135.00 131.25 2c46 n PRO 162 Ca 0.00 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.97 2c46 n PRO 162 Cb 0.41 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 2c46 n PRO 162 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2c46 n GLY 163 N 0.70 -1.41 3.69 0.55 0.00 0.16 -4.72 105.19 104.17 2c46 n GLY 163 Ca 0.05 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 2c46 n GLY 163 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c46 s ILE 164 N 0.00 2.69 0.00 -0.61 1.01 -1.26 -4.78 121.20 118.25 2c46 s ILE 164 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.89 2c46 s ILE 164 Cb 0.00 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.32 2c46 s ILE 164 CO 0.00 0.00 0.50 0.00 0.00 0.00 0.00 174.94 175.44 2c46 n TYR 165 N 5.39 0.00 -2.69 3.97 0.18 -1.26 -4.72 117.16 118.03 2c46 n TYR 165 Ca 0.17 -0.01 -0.43 0.00 1.88 0.00 0.00 57.90 59.50 2c46 n TYR 165 Cb 0.39 -0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.32 2c46 n TYR 165 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 2c46 s LYS 166 N -0.03 4.14 0.26 -3.48 2.20 -1.26 -4.67 119.74 116.90 2c46 s LYS 166 Ca 0.00 1.13 -0.03 0.00 -0.36 0.00 0.00 55.97 56.71 2c46 s LYS 166 Cb 0.00 -3.69 0.32 0.00 -1.51 0.00 0.00 37.83 32.95 2c46 s LYS 166 CO 0.00 -0.75 1.81 0.78 -0.36 0.00 0.00 175.35 176.83 2c46 h GLY 167 N 9.71 1.01 2.00 5.54 0.00 -1.97 -1.80 103.07 117.57 2c46 h GLY 167 Ca -0.20 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.49 2c46 h GLY 167 CO 0.99 0.54 -0.27 -0.55 0.00 0.00 0.00 176.54 177.24 2c46 h ASP 168 N 0.91 0.00 -0.08 0.19 3.32 -1.99 -1.40 116.42 117.37 2c46 h ASP 168 Ca 0.20 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.13 2c46 h ASP 168 Cb 0.28 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.84 2c46 h ASP 168 CO -0.01 0.27 -0.44 1.88 -1.72 0.00 0.00 179.24 179.23 2c46 h TYR 169 N 0.00 0.59 -0.30 4.55 -1.99 -1.75 -1.77 116.97 116.30 2c46 h TYR 169 Ca -0.00 -0.26 0.05 0.00 2.00 0.00 0.00 58.73 60.51 2c46 h TYR 169 Cb 0.49 -0.09 -0.04 0.00 2.00 0.00 0.00 36.73 39.08 2c46 h TYR 169 CO 0.00 1.03 0.02 -0.07 -0.00 0.00 0.00 178.16 179.14 2c46 h LEU 170 N -0.03 -0.07 -0.78 3.88 3.38 -1.33 -2.12 115.31 118.25 2c46 h LEU 170 Ca -0.03 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2c46 h LEU 170 Cb 1.09 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 2c46 h LEU 170 CO 0.09 -0.00 0.43 0.11 0.09 0.00 0.00 178.44 179.16 2c46 h LYS 171 N 0.12 1.08 -0.48 1.13 6.56 -1.23 -2.57 116.57 121.18 2c46 h LYS 171 Ca 0.14 -0.12 -0.09 0.00 -1.06 0.00 0.00 60.65 59.51 2c46 h LYS 171 Cb 0.18 -0.21 -0.02 0.00 -0.57 0.00 0.00 32.23 31.60 2c46 h LYS 171 CO -0.22 0.80 -0.08 1.49 -2.06 0.00 0.00 179.45 179.38 2c46 h GLU 172 N 1.08 0.86 -0.70 3.15 4.57 -1.18 0.13 114.58 122.49 2c46 h GLU 172 Ca 0.27 -0.28 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 2c46 h GLU 172 Cb 0.03 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 2c46 h GLU 172 CO -0.04 0.91 0.24 -0.07 -1.18 0.00 0.00 179.01 178.86 2c46 h LEU 173 N 0.78 1.01 -0.46 1.64 3.38 -1.19 -1.07 115.31 119.40 2c46 h LEU 173 Ca 0.13 -0.20 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 2c46 h LEU 173 Cb 0.58 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2c46 h LEU 173 CO 0.04 0.94 -0.63 -0.26 0.09 0.00 0.00 178.44 178.61 2c46 h PHE 174 N 1.03 0.65 -0.45 1.13 -1.00 -1.13 -0.87 116.94 116.29 2c46 h PHE 174 Ca 0.23 -0.25 0.06 0.00 2.81 0.00 0.00 57.97 60.82 2c46 h PHE 174 Cb 0.28 -0.11 -0.05 0.00 3.61 0.00 0.00 35.95 39.67 2c46 h PHE 174 CO 0.02 0.99 0.15 -0.09 -1.61 0.00 0.00 178.31 177.77 2c46 h ARG 175 N 0.37 0.30 -0.13 1.51 2.43 -0.45 -0.30 114.38 118.10 2c46 h ARG 175 Ca -0.01 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 58.97 2c46 h ARG 175 Cb 1.19 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.67 2c46 h ARG 175 CO 0.11 0.20 -0.60 0.00 -1.51 0.00 0.00 179.97 178.18 2c46 h ARG 176 N 0.31 0.64 -0.00 0.20 3.08 -1.08 -3.40 114.38 114.13 2c46 h ARG 176 Ca 0.22 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.75 2c46 h ARG 176 Cb 0.23 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2c46 h ARG 176 CO -0.23 1.13 -0.04 0.66 -1.07 0.00 0.00 179.97 180.42 2c46 n TYR 177 N -4.12 0.00 0.00 3.04 4.01 -0.34 -5.05 117.16 114.70 2c46 n TYR 177 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2c46 n TYR 177 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 2c46 n TYR 177 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2c46 n GLY 178 N 0.58 4.70 3.27 2.72 0.00 -0.13 -4.57 105.19 111.76 2c46 n GLY 178 Ca 0.01 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 2c46 n GLY 178 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2c46 s ASP 179 N 1.30 3.79 0.51 1.61 -1.08 -1.18 -4.74 116.67 116.89 2c46 s ASP 179 Ca 0.00 -0.45 0.20 0.00 -0.52 0.00 0.00 52.55 51.78 2c46 s ASP 179 Cb 0.00 -1.60 1.32 0.00 -1.46 0.00 0.00 42.92 41.18 2c46 s ASP 179 CO 0.00 0.06 2.11 -0.29 0.52 0.00 0.00 175.17 177.57 2c46 h ILE 180 N 5.67 0.88 0.00 4.11 2.10 -1.88 -1.36 117.51 127.03 2c46 h ILE 180 Ca -0.35 -0.30 -0.01 0.00 1.08 0.00 0.00 64.86 65.28 2c46 h ILE 180 Cb 1.18 1.17 -0.00 0.00 -1.09 0.00 0.00 36.82 38.08 2c46 h ILE 180 CO 0.58 0.08 -0.06 -0.33 -1.08 0.00 0.00 178.15 177.35 2c46 h GLU 181 N 0.00 0.00 -0.26 2.19 5.08 -1.95 -2.96 114.58 116.68 2c46 h GLU 181 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2c46 h GLU 181 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2c46 h GLU 181 CO 0.01 0.06 0.00 0.39 -1.00 0.00 0.00 179.01 178.47 2c46 n GLU 182 N -3.21 2.01 -1.95 2.33 1.02 -0.51 -4.95 120.64 115.37 2c46 n GLU 182 Ca -0.00 -1.52 -0.41 0.00 -0.02 0.00 0.00 57.16 55.20 2c46 n GLU 182 Cb 0.29 -1.43 -0.02 0.00 -0.02 0.00 0.00 31.44 30.26 2c46 n GLU 182 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2c46 s ALA 183 N -1.67 3.66 0.68 0.62 0.00 -1.12 -4.98 121.76 118.95 2c46 s ALA 183 Ca 0.34 1.40 -0.13 0.00 0.00 0.00 0.00 51.96 53.57 2c46 s ALA 183 Cb 0.19 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2c46 s ALA 183 CO 0.27 -0.81 1.07 -1.25 0.00 0.00 0.00 175.76 175.05 2c46 s PRO 184 N -0.42 2.89 0.75 0.00 0.05 -1.26 -5.02 135.00 131.98 2c46 s PRO 184 Ca 0.60 1.14 -0.11 0.00 0.05 0.00 0.00 61.00 62.68 2c46 s PRO 184 Cb -0.43 -1.98 0.04 0.00 0.05 0.00 0.00 34.50 32.18 2c46 s PRO 184 CO 0.45 -1.15 1.08 -1.25 0.05 0.00 0.00 177.00 176.18 2c46 s PRO 185 N -4.59 2.50 0.28 0.56 0.04 -1.26 -4.81 135.00 127.72 2c46 s PRO 185 Ca 0.62 0.75 -0.28 0.00 0.04 0.00 0.00 61.00 62.12 2c46 s PRO 185 Cb -0.16 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 32.28 2c46 s PRO 185 CO 0.48 -1.36 1.04 -2.30 0.04 0.00 0.00 177.00 174.90 2c46 n PRO 186 N -3.27 1.40 -1.47 0.56 -0.02 -1.26 -4.95 135.00 125.99 2c46 n PRO 186 Ca 0.07 0.49 -0.29 0.00 -2.02 0.00 0.00 63.50 61.76 2c46 n PRO 186 Cb 0.55 -1.89 0.15 0.00 -0.02 0.00 0.00 33.50 32.29 2c46 n PRO 186 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2c46 s PRO 187 N -1.48 0.89 0.23 0.52 0.04 -1.26 -5.01 135.00 128.93 2c46 s PRO 187 Ca 0.59 0.29 -0.31 0.00 0.04 0.00 0.00 61.00 61.61 2c46 s PRO 187 Cb -0.70 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 31.93 2c46 s PRO 187 CO 0.59 -2.36 1.52 -1.17 0.04 0.00 0.00 177.00 175.62 2c46 s LEU 188 N -6.14 4.37 -0.03 -3.56 0.20 -1.26 -5.00 118.68 107.26 2c46 s LEU 188 Ca 0.65 2.71 -0.14 0.00 0.69 0.00 0.00 54.13 58.04 2c46 s LEU 188 Cb -0.15 -3.61 -0.05 0.00 -0.43 0.00 0.00 46.19 41.94 2c46 s LEU 188 CO 0.54 -0.79 0.37 -0.76 -0.29 0.00 0.00 176.35 175.42 2c46 s LEU 189 N 0.16 4.44 0.84 -0.68 1.43 -1.26 -4.83 118.68 118.78 2c46 s LEU 189 Ca 0.64 0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 54.49 2c46 s LEU 189 Cb -0.44 -2.51 0.09 0.00 0.03 0.00 0.00 46.19 43.36 2c46 s LEU 189 CO 0.40 0.31 1.11 -2.16 0.23 0.00 0.00 176.35 176.23 2c46 s PRO 190 N -0.89 1.77 0.46 1.29 0.04 -1.26 -4.95 135.00 131.45 2c46 s PRO 190 Ca 0.22 0.55 0.15 0.00 0.04 0.00 0.00 61.00 61.97 2c46 s PRO 190 Cb -0.16 -1.89 1.10 0.00 0.04 0.00 0.00 34.50 33.59 2c46 s PRO 190 CO 0.11 -1.82 2.02 0.38 0.04 0.00 0.00 177.00 177.73 2c46 h ASP 191 N -1.23 0.27 1.04 6.66 2.03 -1.99 -1.13 116.42 122.07 2c46 h ASP 191 Ca -0.48 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 55.78 2c46 h ASP 191 Cb 1.29 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.73 2c46 h ASP 191 CO 0.60 0.17 -0.18 4.11 -1.03 0.00 0.00 179.24 182.91 2c46 h TRP 192 N 0.31 0.00 -3.28 4.15 5.08 -1.93 -3.41 115.95 116.87 2c46 h TRP 192 Ca 0.21 0.00 -0.74 0.00 1.08 0.00 0.00 58.89 59.45 2c46 h TRP 192 Cb 0.45 0.00 -0.24 0.00 -3.00 0.00 0.00 29.16 26.37 2c46 h TRP 192 CO -0.00 0.18 -0.33 0.00 -1.28 0.00 0.00 178.44 177.01 2c46 s PHE 194 N 1.58 -0.15 -0.19 0.00 -0.71 -1.26 -4.59 117.98 112.66 2c46 s PHE 194 Ca 0.04 -0.18 -0.03 0.00 -1.04 0.00 0.00 56.93 55.72 2c46 s PHE 194 Cb -0.25 0.24 -0.01 0.00 -1.21 0.00 0.00 43.02 41.78 2c46 s PHE 194 CO 0.05 -0.71 -0.06 -2.00 -1.34 0.00 0.00 175.22 171.16 2c46 s GLU 195 N -3.82 3.44 -0.30 1.99 -6.30 -1.26 -5.04 118.70 107.41 2c46 s GLU 195 Ca 0.04 -0.61 -0.07 0.00 -2.50 0.00 0.00 54.97 51.83 2c46 s GLU 195 Cb 0.02 -2.92 0.18 0.00 0.00 0.00 0.00 34.13 31.41 2c46 s GLU 195 CO -0.11 -0.03 0.76 0.34 0.02 0.00 0.00 175.26 176.25 2c46 s ASP 196 N 1.04 -1.03 0.30 -1.70 -1.08 -1.26 -5.04 116.67 107.90 2c46 s ASP 196 Ca 0.00 0.81 0.26 0.00 -0.52 0.00 0.00 52.55 53.10 2c46 s ASP 196 Cb -0.15 1.93 0.98 0.00 -1.46 0.00 0.00 42.92 44.23 2c46 s ASP 196 CO -0.00 -0.19 1.76 0.44 0.52 0.00 0.00 175.17 177.70 2c46 h ASP 197 N 7.95 0.00 -0.12 -0.34 3.32 -2.10 -3.07 116.42 122.06 2c46 h ASP 197 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2c46 h ASP 197 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2c46 h ASP 197 CO 0.13 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 177.03 2c46 n GLU 198 N -2.40 2.30 0.00 3.56 4.71 -1.26 -5.32 120.64 122.23 2c46 n GLU 198 Ca 0.03 -1.99 0.15 0.00 -0.01 0.00 0.00 57.16 55.34 2c46 n GLU 198 Cb 0.29 -1.46 0.76 0.00 -1.01 0.00 0.00 31.44 30.02 2c46 n GLU 198 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75