#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c9t h ALA 2 N 0.00 -0.64 -0.65 2.61 0.00 -2.03 0.16 119.26 118.70 2c9t h ALA 2 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2c9t h ALA 2 Cb 0.00 0.79 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2c9t h ALA 2 CO 0.00 -0.95 0.42 -0.91 0.00 0.00 0.00 179.25 177.81 2c9t h ASN 3 N -0.52 0.77 -0.29 0.00 2.35 -1.99 -1.86 115.58 114.02 2c9t h ASN 3 Ca 0.06 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 2c9t h ASN 3 Cb 0.64 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 2c9t h ASN 3 CO -0.38 0.58 -0.02 0.25 -1.65 0.00 0.00 177.43 176.21 2c9t h LEU 4 N 0.89 0.53 -0.70 1.61 5.85 -1.83 -0.62 115.31 121.04 2c9t h LEU 4 Ca 0.24 -0.33 0.15 0.00 0.84 0.00 0.00 57.88 58.78 2c9t h LEU 4 Cb -0.07 -0.14 -0.12 0.00 0.37 0.00 0.00 40.66 40.70 2c9t h LEU 4 CO -0.05 0.73 -0.02 0.24 -0.34 0.00 0.00 178.44 179.01 2c9t h MET 5 N 0.32 0.09 -0.33 1.25 2.86 -0.91 0.11 114.93 118.33 2c9t h MET 5 Ca 0.08 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2c9t h MET 5 Cb 0.47 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 2c9t h MET 5 CO 0.02 0.06 0.21 0.00 1.06 0.00 0.00 176.91 178.26 2c9t h ARG 6 N 0.10 0.44 0.32 1.72 3.08 -0.96 -1.89 114.38 117.19 2c9t h ARG 6 Ca 0.37 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.38 2c9t h ARG 6 Cb 0.62 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 2c9t h ARG 6 CO -0.62 0.32 -0.25 1.25 -1.07 0.00 0.00 179.97 179.60 2c9t h LEU 7 N 0.43 -0.65 -0.70 3.04 5.85 -0.53 -0.73 115.31 122.03 2c9t h LEU 7 Ca 0.12 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.90 2c9t h LEU 7 Cb -0.02 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 2c9t h LEU 7 CO -0.02 -0.38 0.46 0.11 -0.34 0.00 0.00 178.44 178.27 2c9t h LYS 8 N -0.57 0.90 -0.33 1.25 1.57 -0.79 0.13 116.57 118.73 2c9t h LYS 8 Ca -0.02 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2c9t h LYS 8 Cb 0.50 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 2c9t h LYS 8 CO -0.01 0.60 0.10 1.03 -0.57 0.00 0.00 179.45 180.59 2c9t h SER 9 N 0.93 0.08 -0.35 0.86 0.87 -1.17 0.11 113.55 114.88 2c9t h SER 9 Ca 0.26 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.79 2c9t h SER 9 Cb -0.09 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2c9t h SER 9 CO -0.06 0.08 -0.08 0.44 -0.53 0.00 0.00 176.83 176.68 2c9t h ASP 10 N 0.23 0.67 0.11 6.23 3.32 -0.65 -0.05 116.42 126.27 2c9t h ASP 10 Ca 0.15 -0.36 -0.12 0.00 0.02 0.00 0.00 57.03 56.73 2c9t h ASP 10 Cb 0.15 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2c9t h ASP 10 CO -0.18 0.87 -0.40 -0.07 -1.72 0.00 0.00 179.24 177.75 2c9t h LEU 11 N 0.45 0.40 0.00 1.55 3.38 -0.59 -3.39 115.31 117.12 2c9t h LEU 11 Ca 0.09 -0.17 -0.20 0.00 0.09 0.00 0.00 57.88 57.69 2c9t h LEU 11 Cb 0.58 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 2c9t h LEU 11 CO 0.03 0.76 -1.77 0.49 0.09 0.00 0.00 178.44 178.05 2c9t n PHE 12 N -4.03 0.00 -0.90 1.13 3.72 0.37 -4.71 117.46 113.04 2c9t n PHE 12 Ca -0.01 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.33 2c9t n PHE 12 Cb 0.49 -0.53 0.29 0.00 -0.94 0.00 0.00 39.48 38.79 2c9t n PHE 12 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2c9t n ASN 13 N -2.70 4.73 -0.03 4.37 3.02 -0.04 -4.46 115.26 120.16 2c9t n ASN 13 Ca -0.22 -3.13 -0.04 0.00 -0.03 0.00 0.00 54.58 51.17 2c9t n ASN 13 Cb 0.80 -0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 2c9t n ASN 13 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2c9t n ARG 14 N -0.08 1.28 -4.27 3.52 1.74 -1.25 -4.97 116.66 112.62 2c9t n ARG 14 Ca 0.38 0.02 -0.15 0.00 -0.77 0.00 0.00 57.85 57.34 2c9t n ARG 14 Cb 1.33 -1.12 -0.10 0.00 -1.02 0.00 0.00 32.46 31.54 2c9t n ARG 14 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2c9t s SER 15 N -4.22 1.56 0.84 0.55 0.15 -1.26 -5.14 113.70 106.17 2c9t s SER 15 Ca -0.06 -1.15 -0.11 0.00 0.70 0.00 0.00 55.95 55.33 2c9t s SER 15 Cb 0.02 0.05 0.10 0.00 -1.71 0.00 0.00 66.02 64.48 2c9t s SER 15 CO 0.16 -0.49 1.10 -2.84 1.20 0.00 0.00 173.24 172.37 2c9t s PRO 16 N -3.86 1.66 0.59 5.44 0.02 -1.26 -4.95 135.00 132.64 2c9t s PRO 16 Ca 0.24 1.20 -0.20 0.00 0.02 0.00 0.00 61.00 62.25 2c9t s PRO 16 Cb 0.05 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.71 2c9t s PRO 16 CO 0.05 -2.07 1.29 -0.12 -0.33 0.00 0.00 177.00 175.81 2c9t n MET 17 N -3.82 1.40 -1.62 5.54 1.56 -1.26 -4.91 117.12 114.01 2c9t n MET 17 Ca 0.09 0.53 -0.55 0.00 -0.27 0.00 0.00 57.70 57.49 2c9t n MET 17 Cb 0.53 -2.51 -0.07 0.00 2.15 0.00 0.00 33.22 33.32 2c9t n MET 17 CO 0.00 0.00 0.00 0.98 -0.73 0.00 0.00 175.97 176.22 2c9t n TYR 18 N -1.42 1.56 1.71 1.12 9.36 -1.26 -4.86 117.16 123.37 2c9t n TYR 18 Ca 0.13 0.70 0.01 0.00 3.32 0.00 0.00 57.90 62.05 2c9t n TYR 18 Cb 0.46 -2.33 0.02 0.00 -0.63 0.00 0.00 39.34 36.86 2c9t n TYR 18 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2c9t n PRO 19 N 3.24 1.10 0.00 2.98 -0.04 -1.26 -4.80 135.00 136.22 2c9t n PRO 19 Ca 0.21 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2c9t n PRO 19 Cb 0.15 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2c9t n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2c9t n GLY 20 N 0.46 -1.88 3.75 0.55 0.00 -1.26 -4.99 105.19 101.82 2c9t n GLY 20 Ca 0.01 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.18 2c9t n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2c9t s PRO 21 N -2.22 2.52 0.40 1.61 0.04 -1.26 -5.06 135.00 131.03 2c9t s PRO 21 Ca 0.00 1.51 0.04 0.00 0.04 0.00 0.00 61.00 62.59 2c9t s PRO 21 Cb 0.00 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 2c9t s PRO 21 CO 0.00 -1.49 0.14 0.95 0.04 0.00 0.00 177.00 176.64 2c9t s THR 22 N -2.24 0.57 0.44 1.26 -4.23 -1.02 -4.98 115.64 105.43 2c9t s THR 22 Ca 0.69 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.38 2c9t s THR 22 Cb -0.23 -2.36 0.21 0.00 1.34 0.00 0.00 72.50 71.46 2c9t s THR 22 CO 0.43 0.00 2.01 0.07 -0.54 0.00 0.00 174.62 176.59 2c9t h LYS 23 N 1.81 0.00 0.00 3.99 2.10 -1.92 -1.08 116.57 121.48 2c9t h LYS 23 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 2c9t h LYS 23 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2c9t h LYS 23 CO 0.56 0.18 -0.41 -0.25 -2.00 0.00 0.00 179.45 177.52 2c9t n ASP 24 N -4.13 0.60 -3.20 7.07 8.00 -1.26 -4.21 116.55 119.42 2c9t n ASP 24 Ca -0.02 0.17 -0.23 0.00 0.71 0.00 0.00 54.79 55.42 2c9t n ASP 24 Cb 0.25 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.22 2c9t n ASP 24 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2c9t n ASP 25 N -1.94 1.02 -4.79 -2.24 2.03 -0.75 -5.13 116.55 104.74 2c9t n ASP 25 Ca 0.05 -2.92 -0.30 0.00 0.52 0.00 0.00 54.79 52.13 2c9t n ASP 25 Cb 0.41 -0.63 0.10 0.00 -0.72 0.00 0.00 41.12 40.27 2c9t n ASP 25 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2c9t s PRO 26 N -1.81 1.98 0.07 -0.67 0.04 -0.48 -2.44 135.00 131.68 2c9t s PRO 26 Ca 0.38 0.69 -0.04 0.00 0.04 0.00 0.00 61.00 62.07 2c9t s PRO 26 Cb 0.22 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.84 2c9t s PRO 26 CO -0.09 -1.71 0.06 -0.48 0.04 0.00 0.00 177.00 174.82 2c9t s LEU 27 N -5.85 2.04 -0.16 -3.56 0.05 -0.02 -4.94 118.68 106.24 2c9t s LEU 27 Ca 0.61 -0.87 -0.05 0.00 0.05 0.00 0.00 54.13 53.88 2c9t s LEU 27 Cb -0.15 0.54 -0.03 0.00 -2.05 0.00 0.00 46.19 44.50 2c9t s LEU 27 CO 0.55 -0.66 0.00 -0.89 -0.55 0.00 0.00 176.35 174.80 2c9t s THR 28 N -3.90 4.27 -0.20 5.48 2.01 -1.26 -0.97 115.64 121.07 2c9t s THR 28 Ca 0.07 -0.23 -0.04 0.00 0.31 0.00 0.00 61.69 61.80 2c9t s THR 28 Cb 0.07 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.68 2c9t s THR 28 CO -0.10 0.49 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.60 2c9t s VAL 29 N 0.23 3.63 -0.26 3.82 1.01 0.05 -4.50 120.40 124.38 2c9t s VAL 29 Ca 0.00 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 2c9t s VAL 29 Cb -0.13 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 2c9t s VAL 29 CO 0.02 0.44 0.23 -0.89 0.00 0.00 0.00 175.10 174.89 2c9t s THR 30 N 1.07 5.30 -0.01 3.92 2.01 -0.10 -1.67 115.64 126.16 2c9t s THR 30 Ca 0.01 0.28 -0.02 0.00 0.31 0.00 0.00 61.69 62.27 2c9t s THR 30 Cb -0.15 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 2c9t s THR 30 CO 0.00 0.26 0.13 -0.76 -0.69 0.00 0.00 174.62 173.57 2c9t s LEU 31 N 1.57 4.14 -0.17 4.42 1.43 0.03 -1.17 118.68 128.94 2c9t s LEU 31 Ca 0.09 0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 53.36 2c9t s LEU 31 Cb -0.15 -2.44 0.07 0.00 0.03 0.00 0.00 46.19 43.69 2c9t s LEU 31 CO 0.09 0.27 0.39 -0.83 0.23 0.00 0.00 176.35 176.49 2c9t s GLY 32 N -1.83 -0.30 -0.13 -3.19 0.00 -0.63 -4.25 107.32 96.98 2c9t s GLY 32 Ca 0.25 1.43 -0.07 0.00 0.00 0.00 0.00 44.72 46.33 2c9t s GLY 32 CO 0.16 1.83 0.13 -1.36 0.00 0.00 0.00 173.10 173.86 2c9t s PHE 33 N 1.74 3.53 -0.28 1.90 0.08 -1.26 -0.59 117.98 123.09 2c9t s PHE 33 Ca -0.07 0.46 -0.02 0.00 0.12 0.00 0.00 56.93 57.42 2c9t s PHE 33 Cb -0.10 -1.97 0.04 0.00 -0.57 0.00 0.00 43.02 40.43 2c9t s PHE 33 CO -0.12 0.63 -0.02 0.99 -0.10 0.00 0.00 175.22 176.60 2c9t s THR 34 N -0.75 2.94 -0.24 0.64 2.01 -0.05 -1.61 115.64 118.58 2c9t s THR 34 Ca 0.13 -1.27 -0.18 0.00 0.31 0.00 0.00 61.69 60.68 2c9t s THR 34 Cb -0.12 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 2c9t s THR 34 CO 0.03 -0.01 0.51 -0.22 -0.69 0.00 0.00 174.62 174.23 2c9t s LEU 35 N 1.27 4.08 -0.22 4.42 2.96 -0.75 -0.76 118.68 129.69 2c9t s LEU 35 Ca -0.04 0.55 0.07 0.00 -0.22 0.00 0.00 54.13 54.49 2c9t s LEU 35 Cb -0.19 -2.66 -0.21 0.00 0.50 0.00 0.00 46.19 43.64 2c9t s LEU 35 CO -0.02 -0.25 -0.04 1.67 -1.32 0.00 0.00 176.35 176.39 2c9t n GLN 36 N 5.31 0.67 -3.64 1.98 7.27 0.06 -3.25 117.38 125.78 2c9t n GLN 36 Ca -0.05 0.11 -0.09 0.00 0.07 0.00 0.00 57.00 57.04 2c9t n GLN 36 Cb 0.50 -1.55 -0.07 0.00 2.41 0.00 0.00 30.24 31.53 2c9t n GLN 36 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2c9t s ASP 37 N -6.19 -0.45 -0.41 1.69 2.15 -0.83 0.02 116.67 112.64 2c9t s ASP 37 Ca -0.24 0.86 -0.21 0.00 0.43 0.00 0.00 52.55 53.39 2c9t s ASP 37 Cb 0.08 0.87 0.02 0.00 -0.30 0.00 0.00 42.92 43.59 2c9t s ASP 37 CO 0.70 -0.16 0.65 -0.63 -0.17 0.00 0.00 175.17 175.56 2c9t s ILE 38 N 0.18 4.84 -0.11 4.11 1.01 -1.26 -1.06 121.20 128.90 2c9t s ILE 38 Ca 0.03 0.31 -0.18 0.00 0.00 0.00 0.00 60.65 60.82 2c9t s ILE 38 Cb -0.05 -4.17 -0.27 0.00 0.01 0.00 0.00 42.46 37.99 2c9t s ILE 38 CO -0.06 -0.50 0.58 0.58 0.00 0.00 0.00 174.94 175.54 2c9t h VAL 39 N 5.81 1.12 -3.29 2.92 2.07 -1.47 -3.41 116.25 120.00 2c9t h VAL 39 Ca -0.26 -2.39 -0.15 0.00 0.82 0.00 0.00 66.70 64.72 2c9t h VAL 39 Cb 1.10 2.77 -0.22 0.00 -1.52 0.00 0.00 31.29 33.42 2c9t h VAL 39 CO 0.88 0.67 -0.43 -0.75 0.02 0.00 0.00 177.57 177.96 2c9t s LYS 40 N -2.45 0.46 -0.04 1.57 2.20 -1.22 -4.91 119.74 115.35 2c9t s LYS 40 Ca -0.20 -0.13 0.04 0.00 -0.36 0.00 0.00 55.97 55.33 2c9t s LYS 40 Cb 0.04 0.20 -0.00 0.00 -1.51 0.00 0.00 37.83 36.56 2c9t s LYS 40 CO 0.75 -0.11 -0.17 0.08 -0.36 0.00 0.00 175.35 175.55 2c9t s VAL 41 N -0.90 1.41 -0.30 4.02 1.01 -1.26 -0.84 120.40 123.54 2c9t s VAL 41 Ca -0.10 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.19 2c9t s VAL 41 Cb -0.05 -1.22 0.09 0.00 0.00 0.00 0.00 36.38 35.20 2c9t s VAL 41 CO 0.02 0.41 0.05 -0.62 0.00 0.00 0.00 175.10 174.96 2c9t s ASP 42 N 0.08 4.20 0.00 3.32 -1.08 0.81 -4.98 116.67 119.01 2c9t s ASP 42 Ca -0.05 -1.69 0.28 0.00 -0.52 0.00 0.00 52.55 50.57 2c9t s ASP 42 Cb -0.12 -1.16 1.06 0.00 -1.46 0.00 0.00 42.92 41.24 2c9t s ASP 42 CO 0.02 -0.37 1.79 -1.54 0.52 0.00 0.00 175.17 175.59 2c9t n SER 43 N 4.63 0.21 0.11 -0.34 3.41 -1.26 -0.27 113.62 120.11 2c9t n SER 43 Ca -0.02 0.09 0.12 0.00 -0.26 0.00 0.00 58.87 58.80 2c9t n SER 43 Cb 0.43 -0.22 0.24 0.00 -0.26 0.00 0.00 64.21 64.39 2c9t n SER 43 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2c9t h SER 44 N 0.09 0.00 0.00 4.04 4.64 -1.96 -3.37 113.55 116.98 2c9t h SER 44 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2c9t h SER 44 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2c9t h SER 44 CO 0.00 0.04 -0.02 0.35 -0.87 0.00 0.00 176.83 176.33 2c9t n THR 45 N -2.41 0.00 -3.69 2.95 -2.24 -1.10 -5.03 114.28 102.76 2c9t n THR 45 Ca 0.04 -0.45 -0.23 0.00 -2.27 0.00 0.00 64.05 61.14 2c9t n THR 45 Cb 0.47 0.99 0.03 0.00 -2.10 0.00 0.00 70.33 69.72 2c9t n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2c9t n ASN 46 N -0.93 -2.24 -4.35 3.42 3.02 0.63 -4.93 115.26 109.88 2c9t n ASN 46 Ca 0.00 -0.87 -0.32 0.00 -0.03 0.00 0.00 54.58 53.36 2c9t n ASN 46 Cb 0.00 -3.92 -0.15 0.00 -0.61 0.00 0.00 39.78 35.09 2c9t n ASN 46 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2c9t s GLU 47 N -5.91 2.64 -0.02 3.52 2.02 -0.99 -1.12 118.70 118.84 2c9t s GLU 47 Ca 0.12 -0.81 0.07 0.00 0.02 0.00 0.00 54.97 54.38 2c9t s GLU 47 Cb -0.04 -2.29 -0.02 0.00 0.10 0.00 0.00 34.13 31.88 2c9t s GLU 47 CO 0.82 0.44 -0.24 0.08 0.02 0.00 0.00 175.26 176.38 2c9t s VAL 48 N -0.29 2.21 -0.24 2.63 1.01 -0.46 -0.14 120.40 125.12 2c9t s VAL 48 Ca 0.01 -1.08 -0.07 0.00 0.00 0.00 0.00 61.98 60.84 2c9t s VAL 48 Cb -0.13 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 2c9t s VAL 48 CO 0.03 0.56 0.05 -1.81 0.00 0.00 0.00 175.10 173.93 2c9t s ASP 49 N -0.68 5.06 0.04 3.32 1.11 -0.02 -1.22 116.67 124.28 2c9t s ASP 49 Ca 0.10 -0.20 0.05 0.00 0.18 0.00 0.00 52.55 52.68 2c9t s ASP 49 Cb -0.10 -1.90 -0.04 0.00 1.07 0.00 0.00 42.92 41.95 2c9t s ASP 49 CO -0.00 -0.01 -0.07 -0.76 1.18 0.00 0.00 175.17 175.51 2c9t s LEU 50 N 1.44 3.15 -0.14 1.23 1.43 -0.11 -1.08 118.68 124.60 2c9t s LEU 50 Ca 0.05 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 2c9t s LEU 50 Cb -0.15 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.21 2c9t s LEU 50 CO 0.03 0.24 -0.19 -0.69 0.23 0.00 0.00 176.35 175.96 2c9t s VAL 51 N -1.09 2.33 0.14 -1.59 1.01 -0.22 -0.50 120.40 120.48 2c9t s VAL 51 Ca 0.19 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 2c9t s VAL 51 Cb -0.11 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.32 2c9t s VAL 51 CO 0.11 0.54 0.32 -0.72 0.00 0.00 0.00 175.10 175.34 2c9t s TYR 52 N 0.76 0.12 -0.21 5.22 -0.85 -0.70 -0.76 117.35 120.93 2c9t s TYR 52 Ca -0.07 -0.49 -0.09 0.00 -0.52 0.00 0.00 57.07 55.90 2c9t s TYR 52 Cb -0.16 0.08 -0.05 0.00 0.38 0.00 0.00 41.96 42.22 2c9t s TYR 52 CO -0.00 -0.70 0.11 0.71 -1.52 0.00 0.00 175.55 174.16 2c9t s TYR 53 N -3.89 3.29 -0.46 -3.49 2.02 0.06 -0.67 117.35 114.21 2c9t s TYR 53 Ca 0.09 0.14 -0.08 0.00 -0.37 0.00 0.00 57.07 56.85 2c9t s TYR 53 Cb 0.03 -2.19 0.12 0.00 -0.40 0.00 0.00 41.96 39.52 2c9t s TYR 53 CO -0.06 0.10 0.32 -2.00 -1.57 0.00 0.00 175.55 172.33 2c9t s GLU 54 N 0.76 2.38 -0.13 -0.62 2.12 -0.73 -0.87 118.70 121.60 2c9t s GLU 54 Ca 0.06 -1.78 -0.29 0.00 0.36 0.00 0.00 54.97 53.31 2c9t s GLU 54 Cb -0.13 -3.86 -0.02 0.00 0.26 0.00 0.00 34.13 30.39 2c9t s GLU 54 CO 0.02 -1.17 1.24 -1.14 -0.54 0.00 0.00 175.26 173.67 2c9t s GLN 55 N 1.31 4.27 -0.08 4.30 0.74 0.24 -3.26 119.66 127.18 2c9t s GLN 55 Ca 0.06 1.66 0.03 0.00 0.05 0.00 0.00 55.36 57.17 2c9t s GLN 55 Cb -0.25 -3.69 -0.02 0.00 1.10 0.00 0.00 33.01 30.15 2c9t s GLN 55 CO -0.02 -0.62 -0.18 -0.65 -0.55 0.00 0.00 175.29 173.28 2c9t s GLN 56 N 3.06 2.83 -0.02 1.67 -0.21 0.48 -1.61 119.66 125.87 2c9t s GLN 56 Ca 0.55 -0.77 0.02 0.00 0.02 0.00 0.00 55.36 55.17 2c9t s GLN 56 Cb -0.23 -2.38 0.00 0.00 1.00 0.00 0.00 33.01 31.40 2c9t s GLN 56 CO 0.17 0.39 -0.06 1.03 -2.12 0.00 0.00 175.29 174.70 2c9t s ARG 57 N -0.14 0.63 0.36 2.91 0.52 -0.32 -0.92 118.95 122.00 2c9t s ARG 57 Ca -0.02 -0.20 -0.14 0.00 -0.52 0.00 0.00 55.73 54.84 2c9t s ARG 57 Cb -0.14 -0.62 0.04 0.00 0.52 0.00 0.00 34.95 34.75 2c9t s ARG 57 CO 0.04 0.08 0.72 1.67 0.02 0.00 0.00 175.30 177.82 2c9t s TRP 58 N 0.16 0.24 -0.05 -0.53 -2.14 -0.42 -0.92 118.94 115.27 2c9t s TRP 58 Ca -0.02 -0.80 -0.02 0.00 2.66 0.00 0.00 56.10 57.93 2c9t s TRP 58 Cb -0.06 0.65 0.04 0.00 -3.10 0.00 0.00 33.47 30.99 2c9t s TRP 58 CO -0.00 -1.43 0.10 0.21 -2.66 0.00 0.00 176.95 173.16 2c9t s LYS 59 N -2.73 0.03 -0.07 3.25 2.20 -1.26 0.68 119.74 121.85 2c9t s LYS 59 Ca 0.18 0.31 0.05 0.00 -0.36 0.00 0.00 55.97 56.14 2c9t s LYS 59 Cb -0.04 -0.23 -0.00 0.00 -1.51 0.00 0.00 37.83 36.05 2c9t s LYS 59 CO 0.12 -0.18 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.20 2c9t s LEU 60 N 1.22 2.02 0.32 5.43 1.43 0.12 -4.93 118.68 124.29 2c9t s LEU 60 Ca -0.08 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.58 2c9t s LEU 60 Cb -0.12 -1.27 0.65 0.00 0.03 0.00 0.00 46.19 45.48 2c9t s LEU 60 CO -0.05 0.19 1.90 0.78 0.23 0.00 0.00 176.35 179.40 2c9t h ASN 61 N 6.34 0.79 0.45 2.29 2.35 -1.88 -2.55 115.58 123.37 2c9t h ASN 61 Ca -0.28 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 2c9t h ASN 61 Cb 1.19 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.42 2c9t h ASN 61 CO 0.47 0.47 0.00 -1.54 -1.65 0.00 0.00 177.43 175.18 2c9t n SER 62 N -4.53 0.18 -0.89 5.81 3.41 -1.26 -1.99 113.62 114.36 2c9t n SER 62 Ca 0.15 0.55 0.08 0.00 -0.26 0.00 0.00 58.87 59.39 2c9t n SER 62 Cb 0.30 -0.59 0.20 0.00 -0.26 0.00 0.00 64.21 63.86 2c9t n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2c9t n LEU 63 N -1.71 3.19 -4.81 1.04 4.77 -0.96 -4.99 117.00 113.53 2c9t n LEU 63 Ca 0.02 -1.84 -0.34 0.00 -0.03 0.00 0.00 56.01 53.83 2c9t n LEU 63 Cb 0.15 -0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 40.89 2c9t n LEU 63 CO 0.13 0.77 0.65 -0.04 -1.33 0.00 0.00 177.39 177.56 2c9t s MET 64 N -1.06 4.29 0.12 3.23 -1.94 -0.84 -3.98 119.30 119.11 2c9t s MET 64 Ca 0.31 1.15 -0.15 0.00 -1.71 0.00 0.00 55.69 55.30 2c9t s MET 64 Cb 0.17 -2.29 0.03 0.00 2.01 0.00 0.00 34.83 34.74 2c9t s MET 64 CO 0.23 0.03 0.36 1.67 -0.01 0.00 0.00 175.02 177.29 2c9t s TRP 65 N -2.08 -0.14 -0.40 -0.03 -2.14 -0.46 -4.94 118.94 108.75 2c9t s TRP 65 Ca 0.60 -0.19 -0.25 0.00 2.66 0.00 0.00 56.10 58.91 2c9t s TRP 65 Cb -0.11 0.20 0.02 0.00 -3.10 0.00 0.00 33.47 30.48 2c9t s TRP 65 CO 0.15 -0.67 0.90 0.34 -2.66 0.00 0.00 176.95 175.01 2c9t s ASP 66 N -2.79 6.59 0.48 -2.66 -1.08 -1.26 -4.66 116.67 111.29 2c9t s ASP 66 Ca 0.03 0.37 0.17 0.00 -0.52 0.00 0.00 52.55 52.60 2c9t s ASP 66 Cb 0.02 -2.45 1.17 0.00 -1.46 0.00 0.00 42.92 40.21 2c9t s ASP 66 CO -0.12 -0.91 2.04 -0.65 0.52 0.00 0.00 175.17 176.06 2c9t h PRO 67 N 8.69 0.20 -0.32 4.34 0.11 -1.93 -2.22 132.00 140.87 2c9t h PRO 67 Ca -0.24 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.95 2c9t h PRO 67 Cb 1.08 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2c9t h PRO 67 CO 0.99 0.13 0.24 -0.97 -0.21 0.00 0.00 178.00 178.17 2c9t h ASN 68 N 0.21 0.00 0.22 -2.05 -0.73 -1.92 0.04 115.58 111.35 2c9t h ASN 68 Ca 0.18 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.35 2c9t h ASN 68 Cb 0.46 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.05 2c9t h ASN 68 CO -0.03 0.00 -0.05 -0.62 -0.37 0.00 0.00 177.43 176.36 2c9t n GLU 69 N -4.42 0.89 -2.69 6.67 1.02 -0.84 -4.11 120.64 117.17 2c9t n GLU 69 Ca 0.05 -0.25 -0.08 0.00 -0.02 0.00 0.00 57.16 56.86 2c9t n GLU 69 Cb 0.41 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.37 2c9t n GLU 69 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2c9t n TYR 70 N -0.84 1.23 -3.59 -0.32 4.01 -0.11 -4.99 117.16 112.55 2c9t n TYR 70 Ca 0.18 -2.67 -0.21 0.00 -0.16 0.00 0.00 57.90 55.04 2c9t n TYR 70 Cb 0.24 -0.34 0.06 0.00 -0.31 0.00 0.00 39.34 38.98 2c9t n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2c9t n GLY 71 N -0.18 -0.37 3.54 2.72 0.00 -1.19 -1.68 105.19 108.05 2c9t n GLY 71 Ca 0.10 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 2c9t n GLY 71 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2c9t n ASN 72 N -3.06 -1.31 -4.69 1.61 0.23 -0.54 -4.96 115.26 102.54 2c9t n ASN 72 Ca -0.23 -0.73 -0.42 0.00 -0.53 0.00 0.00 54.58 52.67 2c9t n ASN 72 Cb 0.65 -1.16 -0.03 0.00 -2.08 0.00 0.00 39.78 37.16 2c9t n ASN 72 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2c9t s ILE 73 N -2.53 3.42 -0.07 1.53 1.01 -0.67 -4.89 121.20 118.99 2c9t s ILE 73 Ca 0.54 0.83 0.15 0.00 0.00 0.00 0.00 60.65 62.17 2c9t s ILE 73 Cb -0.31 -3.53 -0.23 0.00 0.01 0.00 0.00 42.46 38.39 2c9t s ILE 73 CO 0.66 -0.00 0.24 0.35 0.00 0.00 0.00 174.94 176.19 2c9t n THR 74 N 4.69 0.39 -3.77 2.92 -2.24 -1.26 -4.31 114.28 110.71 2c9t n THR 74 Ca 0.14 -0.48 -0.08 0.00 -2.27 0.00 0.00 64.05 61.36 2c9t n THR 74 Cb 0.42 -0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 2c9t n THR 74 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2c9t s ASP 75 N -4.26 -0.32 0.17 3.42 1.47 -1.26 -0.54 116.67 115.35 2c9t s ASP 75 Ca -0.07 -0.48 -0.21 0.00 1.18 0.00 0.00 52.55 52.97 2c9t s ASP 75 Cb 0.08 0.69 0.06 0.00 -0.34 0.00 0.00 42.92 43.41 2c9t s ASP 75 CO 0.66 -1.25 0.57 0.72 0.68 0.00 0.00 175.17 176.55 2c9t s PHE 76 N -3.88 -0.43 -0.12 2.11 -0.12 0.40 -4.98 117.98 110.96 2c9t s PHE 76 Ca 0.09 0.17 -0.06 0.00 -0.05 0.00 0.00 56.93 57.08 2c9t s PHE 76 Cb -0.05 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 2c9t s PHE 76 CO 0.02 -0.86 0.11 1.03 -0.05 0.00 0.00 175.22 175.47 2c9t s ARG 77 N -3.78 3.41 -0.03 1.99 3.00 -1.26 -0.25 118.95 122.03 2c9t s ARG 77 Ca 0.03 -0.20 -0.25 0.00 0.00 0.00 0.00 55.73 55.31 2c9t s ARG 77 Cb -0.01 -3.12 0.05 0.00 0.00 0.00 0.00 34.95 31.87 2c9t s ARG 77 CO -0.10 0.72 0.54 -0.08 0.00 0.00 0.00 175.30 176.37 2c9t s THR 78 N -0.86 0.02 0.21 0.02 -1.32 -0.67 -5.00 115.64 108.04 2c9t s THR 78 Ca 0.14 -0.19 -0.32 0.00 -1.21 0.00 0.00 61.69 60.11 2c9t s THR 78 Cb -0.12 -0.87 -0.15 0.00 -1.51 0.00 0.00 72.50 69.85 2c9t s THR 78 CO 0.03 -0.10 1.22 -0.24 -2.21 0.00 0.00 174.62 173.32 2c9t n SER 79 N 0.97 1.78 0.31 8.08 2.88 -1.26 -0.40 113.62 125.98 2c9t n SER 79 Ca -0.20 1.15 0.20 0.00 -1.33 0.00 0.00 58.87 58.69 2c9t n SER 79 Cb 0.57 -1.29 1.03 0.00 -0.75 0.00 0.00 64.21 63.77 2c9t n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2c9t h ALA 80 N 3.46 1.08 0.00 -1.46 0.00 -1.49 0.78 119.26 121.63 2c9t h ALA 80 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2c9t h ALA 80 Cb 1.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2c9t h ALA 80 CO 0.71 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.97 2c9t h ALA 81 N 1.99 1.00 0.00 0.00 0.00 -1.90 -3.13 119.26 117.22 2c9t h ALA 81 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2c9t h ALA 81 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2c9t h ALA 81 CO 0.00 0.00 -0.01 -0.44 0.00 0.00 0.00 179.25 178.80 2c9t h ASP 82 N 0.00 0.00 -3.28 0.00 3.32 -1.19 -3.46 116.42 111.81 2c9t h ASP 82 Ca 0.00 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.60 2c9t h ASP 82 Cb 0.49 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.90 2c9t h ASP 82 CO 0.00 0.01 -0.66 0.27 -1.72 0.00 0.00 179.24 177.14 2c9t s ILE 83 N -3.45 1.38 0.37 0.35 -4.36 -1.18 -5.02 121.20 109.28 2c9t s ILE 83 Ca 0.04 -2.07 -0.26 0.00 -0.26 0.00 0.00 60.65 58.09 2c9t s ILE 83 Cb 0.07 -2.46 -0.09 0.00 1.25 0.00 0.00 42.46 41.23 2c9t s ILE 83 CO 0.61 -0.27 1.13 0.86 0.24 0.00 0.00 174.94 177.51 2c9t s TRP 84 N -3.19 3.22 0.02 1.37 -0.00 -1.26 -4.95 118.94 114.15 2c9t s TRP 84 Ca 0.30 1.60 0.01 0.00 -0.00 0.00 0.00 56.10 58.01 2c9t s TRP 84 Cb 0.05 -3.32 -0.01 0.00 -0.00 0.00 0.00 33.47 30.18 2c9t s TRP 84 CO 0.11 -1.02 -0.05 0.95 -0.00 0.00 0.00 176.95 176.94 2c9t s THR 85 N -1.40 0.32 0.54 5.86 -4.23 -1.26 -5.10 115.64 110.36 2c9t s THR 85 Ca 0.54 -0.68 -0.20 0.00 -1.18 0.00 0.00 61.69 60.17 2c9t s THR 85 Cb -0.29 -0.37 -0.06 0.00 1.34 0.00 0.00 72.50 73.12 2c9t s THR 85 CO 0.37 -0.24 1.16 -2.16 -0.54 0.00 0.00 174.62 173.21 2c9t s PRO 86 N -0.98 3.35 -0.43 3.99 0.04 -1.26 -4.92 135.00 134.79 2c9t s PRO 86 Ca -0.07 1.71 -0.04 0.00 0.04 0.00 0.00 61.00 62.63 2c9t s PRO 86 Cb -0.07 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.45 2c9t s PRO 86 CO -0.00 -0.87 2.81 -0.40 0.04 0.00 0.00 177.00 178.57 2c9t n ASP 87 N -1.19 6.40 -4.65 6.66 5.75 -1.26 -4.94 116.55 123.33 2c9t n ASP 87 Ca 0.11 -3.17 -0.43 0.00 -0.01 0.00 0.00 54.79 51.30 2c9t n ASP 87 Cb 0.50 -1.24 -0.02 0.00 -1.03 0.00 0.00 41.12 39.33 2c9t n ASP 87 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2c9t s ILE 88 N -2.08 4.14 0.08 2.12 -1.09 -1.26 -2.95 121.20 120.16 2c9t s ILE 88 Ca 0.59 1.35 0.08 0.00 -2.23 0.00 0.00 60.65 60.44 2c9t s ILE 88 Cb 0.38 -3.98 -0.03 0.00 -1.58 0.00 0.00 42.46 37.25 2c9t s ILE 88 CO -0.21 -0.23 -0.20 -0.89 -1.23 0.00 0.00 174.94 172.18 2c9t s THR 89 N 3.92 1.61 -0.14 2.92 2.01 0.11 -4.93 115.64 121.14 2c9t s THR 89 Ca 0.58 -1.42 -0.29 0.00 0.31 0.00 0.00 61.69 60.87 2c9t s THR 89 Cb -0.21 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.83 2c9t s THR 89 CO 0.19 -0.02 1.08 0.00 -0.69 0.00 0.00 174.62 175.19 2c9t s ALA 90 N -1.08 3.53 -0.69 7.40 0.00 -1.26 -1.42 121.76 128.24 2c9t s ALA 90 Ca 0.06 0.37 0.25 0.00 0.00 0.00 0.00 51.96 52.64 2c9t s ALA 90 Cb -0.10 -3.50 0.90 0.00 0.00 0.00 0.00 23.12 20.42 2c9t s ALA 90 CO 0.03 -0.83 1.75 0.66 0.00 0.00 0.00 175.76 177.38 2c9t n TYR 91 N 5.61 0.75 -2.03 0.00 4.01 0.09 -3.86 117.16 121.74 2c9t n TYR 91 Ca 0.11 0.25 -0.00 0.00 -0.16 0.00 0.00 57.90 58.09 2c9t n TYR 91 Cb 0.47 -0.90 0.11 0.00 -0.31 0.00 0.00 39.34 38.71 2c9t n TYR 91 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2c9t n SER 92 N -2.14 2.04 -4.77 7.72 3.41 -1.26 -5.02 113.62 113.59 2c9t n SER 92 Ca 0.04 -3.20 -0.35 0.00 -0.26 0.00 0.00 58.87 55.11 2c9t n SER 92 Cb 0.34 -0.43 0.02 0.00 -0.26 0.00 0.00 64.21 63.87 2c9t n SER 92 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2c9t s SER 93 N -3.02 5.54 0.00 4.04 1.04 -1.25 -1.48 113.70 118.57 2c9t s SER 93 Ca 0.38 2.14 0.06 0.00 0.48 0.00 0.00 55.95 59.01 2c9t s SER 93 Cb 0.38 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.91 2c9t s SER 93 CO -0.08 -1.34 0.45 0.35 0.98 0.00 0.00 173.24 173.60 2c9t n THR 94 N -1.60 0.00 -3.98 2.02 -2.24 0.86 -4.84 114.28 104.50 2c9t n THR 94 Ca 0.11 -0.43 -0.08 0.00 -2.27 0.00 0.00 64.05 61.38 2c9t n THR 94 Cb 0.51 1.06 -0.09 0.00 -2.10 0.00 0.00 70.33 69.71 2c9t n THR 94 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2c9t s ARG 95 N -1.06 0.64 0.28 -0.78 1.81 -1.25 -5.04 118.95 113.56 2c9t s ARG 95 Ca 0.04 -0.99 -0.30 0.00 -1.72 0.00 0.00 55.73 52.77 2c9t s ARG 95 Cb 0.05 0.24 -0.13 0.00 -0.45 0.00 0.00 34.95 34.66 2c9t s ARG 95 CO 0.16 -0.16 1.36 -2.30 -0.68 0.00 0.00 175.30 173.69 2c9t n PRO 96 N 0.34 2.10 -1.91 3.54 -0.02 -1.26 -4.69 135.00 133.10 2c9t n PRO 96 Ca -0.16 0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 61.65 2c9t n PRO 96 Cb 0.60 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 2c9t n PRO 96 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2c9t s VAL 97 N -0.48 2.36 -0.25 -1.45 0.11 -1.26 -4.85 120.40 114.57 2c9t s VAL 97 Ca 0.63 0.32 -0.11 0.00 -2.93 0.00 0.00 61.98 59.88 2c9t s VAL 97 Cb -0.61 -3.20 -0.05 0.00 -1.53 0.00 0.00 36.38 30.99 2c9t s VAL 97 CO 0.55 0.06 0.20 -1.10 -3.33 0.00 0.00 175.10 171.48 2c9t s GLN 98 N -0.98 4.04 -0.08 1.54 -0.21 -0.64 -4.98 119.66 118.35 2c9t s GLN 98 Ca 0.58 -0.23 -0.23 0.00 0.02 0.00 0.00 55.36 55.50 2c9t s GLN 98 Cb -0.44 -3.58 -0.03 0.00 1.00 0.00 0.00 33.01 29.95 2c9t s GLN 98 CO 0.50 -0.03 0.70 0.08 -2.12 0.00 0.00 175.29 174.42 2c9t s VAL 99 N 1.33 5.04 -0.30 1.09 1.01 -1.26 -0.58 120.40 126.73 2c9t s VAL 99 Ca 0.09 1.44 0.11 0.00 0.00 0.00 0.00 61.98 63.62 2c9t s VAL 99 Cb -0.14 -4.04 -0.15 0.00 0.00 0.00 0.00 36.38 32.05 2c9t s VAL 99 CO 0.07 0.23 0.38 0.18 0.00 0.00 0.00 175.10 175.96 2c9t n LEU 100 N 3.93 0.29 -4.52 3.92 4.77 0.03 -4.98 117.00 120.44 2c9t n LEU 100 Ca -0.01 -0.27 -0.25 0.00 -0.03 0.00 0.00 56.01 55.44 2c9t n LEU 100 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 2c9t n LEU 100 CO 0.47 0.07 -0.41 -0.94 -1.33 0.00 0.00 177.39 175.26 2c9t s SER 101 N -2.65 3.66 0.47 -1.43 1.04 -1.25 -4.94 113.70 108.61 2c9t s SER 101 Ca 0.00 -1.16 -0.23 0.00 0.48 0.00 0.00 55.95 55.05 2c9t s SER 101 Cb 0.08 -0.33 -0.07 0.00 0.10 0.00 0.00 66.02 65.80 2c9t s SER 101 CO 0.48 -0.15 1.21 -2.84 0.98 0.00 0.00 173.24 172.92 2c9t s PRO 102 N -3.59 3.66 -1.25 4.02 0.02 -1.26 -4.84 135.00 131.76 2c9t s PRO 102 Ca 0.32 1.90 -0.14 0.00 0.02 0.00 0.00 61.00 63.10 2c9t s PRO 102 Cb 0.01 -2.42 0.15 0.00 0.02 0.00 0.00 34.50 32.26 2c9t s PRO 102 CO 0.16 -0.66 1.59 1.04 -0.33 0.00 0.00 177.00 178.80 2c9t n GLN 103 N -0.52 3.37 -3.97 5.54 1.13 -1.26 -4.89 117.38 116.77 2c9t n GLN 103 Ca 0.07 -3.66 -0.15 0.00 -1.94 0.00 0.00 57.00 51.32 2c9t n GLN 103 Cb 0.47 -3.10 -0.15 0.00 0.11 0.00 0.00 30.24 27.57 2c9t n GLN 103 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2c9t s ILE 104 N 1.83 0.19 0.36 5.09 1.01 -1.26 -1.23 121.20 127.19 2c9t s ILE 104 Ca 0.44 -0.01 0.08 0.00 0.00 0.00 0.00 60.65 61.16 2c9t s ILE 104 Cb 0.01 -0.22 -0.05 0.00 0.01 0.00 0.00 42.46 42.20 2c9t s ILE 104 CO 0.01 0.10 0.07 0.00 0.00 0.00 0.00 174.94 175.12 2c9t s ALA 105 N 0.46 3.33 -0.19 9.38 0.00 0.46 -4.64 121.76 130.56 2c9t s ALA 105 Ca -0.04 -2.01 -0.02 0.00 0.00 0.00 0.00 51.96 49.89 2c9t s ALA 105 Cb -0.07 -0.37 -0.00 0.00 0.00 0.00 0.00 23.12 22.67 2c9t s ALA 105 CO -0.01 -0.01 -0.10 0.08 0.00 0.00 0.00 175.76 175.72 2c9t s VAL 106 N -2.54 2.99 -0.13 0.00 1.01 -0.46 -1.67 120.40 119.60 2c9t s VAL 106 Ca 0.37 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 2c9t s VAL 106 Cb 0.01 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 2c9t s VAL 106 CO 0.20 0.47 -0.02 -0.69 0.00 0.00 0.00 175.10 175.06 2c9t s VAL 107 N 1.18 4.04 0.19 2.92 1.01 0.65 -1.50 120.40 128.89 2c9t s VAL 107 Ca 0.02 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.76 2c9t s VAL 107 Cb -0.14 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 2c9t s VAL 107 CO -0.04 0.53 -0.05 -0.89 0.00 0.00 0.00 175.10 174.65 2c9t s THR 108 N -0.10 3.40 0.05 3.92 2.01 0.03 -0.46 115.64 124.49 2c9t s THR 108 Ca 0.03 -1.60 0.32 0.00 0.31 0.00 0.00 61.69 60.75 2c9t s THR 108 Cb -0.13 -2.71 0.34 0.00 0.01 0.00 0.00 72.50 70.02 2c9t s THR 108 CO 0.02 -0.14 1.96 1.12 -0.69 0.00 0.00 174.62 176.90 2c9t h HIS 109 N 2.74 0.00 -0.24 4.92 2.07 -1.12 0.14 115.15 123.66 2c9t h HIS 109 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 2c9t h HIS 109 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 2c9t h HIS 109 CO 0.64 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.10 2c9t n ASP 110 N -2.73 1.28 0.00 3.10 5.75 -1.26 -1.35 116.55 121.33 2c9t n ASP 110 Ca -0.00 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 2c9t n ASP 110 Cb 0.18 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 2c9t n ASP 110 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2c9t n GLY 111 N 0.89 0.76 3.73 6.12 0.00 0.48 -4.74 105.19 112.44 2c9t n GLY 111 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2c9t n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2c9t s SER 112 N -2.42 7.39 -0.07 1.61 0.15 -1.16 0.11 113.70 119.30 2c9t s SER 112 Ca 0.00 1.66 0.05 0.00 0.70 0.00 0.00 55.95 58.36 2c9t s SER 112 Cb 0.00 -2.54 -0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2c9t s SER 112 CO 0.00 -0.05 -0.23 -0.69 1.20 0.00 0.00 173.24 173.48 2c9t s VAL 113 N 0.04 1.91 -0.15 4.45 1.01 0.21 -0.79 120.40 127.09 2c9t s VAL 113 Ca 0.44 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2c9t s VAL 113 Cb -0.22 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.54 2c9t s VAL 113 CO 0.27 0.53 -0.19 -0.32 0.00 0.00 0.00 175.10 175.40 2c9t s MET 114 N 0.14 2.72 -0.08 2.72 0.00 -0.56 -1.31 119.30 122.93 2c9t s MET 114 Ca -0.11 -0.73 0.01 0.00 0.00 0.00 0.00 55.69 54.86 2c9t s MET 114 Cb -0.15 -2.31 0.02 0.00 0.00 0.00 0.00 34.83 32.38 2c9t s MET 114 CO 0.06 -0.12 -0.11 0.12 0.00 0.00 0.00 175.02 174.97 2c9t s PHE 115 N 1.12 1.46 -0.57 4.11 5.36 -0.09 -1.35 117.98 128.01 2c9t s PHE 115 Ca -0.01 -0.60 0.06 0.00 -0.96 0.00 0.00 56.93 55.42 2c9t s PHE 115 Cb -0.14 -1.11 0.22 0.00 -0.34 0.00 0.00 43.02 41.64 2c9t s PHE 115 CO -0.07 -0.34 0.58 -0.89 -1.46 0.00 0.00 175.22 173.03 2c9t n ILE 116 N 4.13 1.02 -2.14 3.12 5.41 -1.26 -0.39 119.36 129.26 2c9t n ILE 116 Ca -0.20 -4.62 -0.42 0.00 1.00 0.00 0.00 62.75 58.51 2c9t n ILE 116 Cb 0.51 -2.03 -0.03 0.00 -0.71 0.00 0.00 39.64 37.38 2c9t n ILE 116 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2c9t s PRO 117 N -1.58 4.29 0.14 0.38 0.04 -1.20 -4.69 135.00 132.38 2c9t s PRO 117 Ca 0.34 2.09 -0.28 0.00 0.04 0.00 0.00 61.00 63.19 2c9t s PRO 117 Cb 0.09 -3.38 -0.07 0.00 0.04 0.00 0.00 34.50 31.18 2c9t s PRO 117 CO -0.10 -0.52 0.90 0.00 0.04 0.00 0.00 177.00 177.31 2c9t s ALA 118 N 1.66 3.32 -0.02 8.56 0.00 -1.26 -1.78 121.76 132.24 2c9t s ALA 118 Ca 0.66 0.51 -0.01 0.00 0.00 0.00 0.00 51.96 53.12 2c9t s ALA 118 Cb -0.36 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.61 2c9t s ALA 118 CO 0.29 0.10 0.04 -0.65 0.00 0.00 0.00 175.76 175.55 2c9t s GLN 119 N -0.51 0.02 -0.26 0.00 -0.21 0.15 -0.79 119.66 118.05 2c9t s GLN 119 Ca 0.42 0.10 -0.14 0.00 0.02 0.00 0.00 55.36 55.77 2c9t s GLN 119 Cb -0.24 -0.06 -0.04 0.00 1.00 0.00 0.00 33.01 33.67 2c9t s GLN 119 CO 0.29 -0.06 0.32 0.50 -2.12 0.00 0.00 175.29 174.22 2c9t s ARG 120 N 0.36 4.02 -0.14 2.91 3.52 0.26 -1.72 118.95 128.16 2c9t s ARG 120 Ca -0.03 -0.04 0.02 0.00 -0.13 0.00 0.00 55.73 55.55 2c9t s ARG 120 Cb -0.04 -3.63 0.01 0.00 -1.56 0.00 0.00 34.95 29.72 2c9t s ARG 120 CO -0.01 -0.20 -0.21 -1.17 -0.81 0.00 0.00 175.30 172.89 2c9t s LEU 121 N 1.85 2.15 -0.24 -0.88 2.96 0.35 -1.62 118.68 123.24 2c9t s LEU 121 Ca 0.13 -0.58 -0.15 0.00 -0.22 0.00 0.00 54.13 53.31 2c9t s LEU 121 Cb -0.16 -1.46 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 2c9t s LEU 121 CO 0.09 0.09 0.36 -0.44 -1.32 0.00 0.00 176.35 175.14 2c9t s SER 122 N 0.77 6.31 0.17 3.68 0.01 -1.26 -0.94 113.70 122.44 2c9t s SER 122 Ca -0.08 0.36 0.01 0.00 1.31 0.00 0.00 55.95 57.55 2c9t s SER 122 Cb -0.16 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 2c9t s SER 122 CO -0.01 -0.12 0.03 0.72 0.41 0.00 0.00 173.24 174.28 2c9t s PHE 123 N 1.67 1.12 -0.33 2.43 -0.12 -0.35 -0.10 117.98 122.30 2c9t s PHE 123 Ca 0.16 -1.11 -0.29 0.00 -0.05 0.00 0.00 56.93 55.64 2c9t s PHE 123 Cb -0.15 -0.64 -0.00 0.00 -0.63 0.00 0.00 43.02 41.60 2c9t s PHE 123 CO 0.09 -0.33 1.40 -1.64 -0.05 0.00 0.00 175.22 174.68 2c9t s MET 124 N -3.97 3.76 -0.26 1.99 -1.94 -0.55 -1.36 119.30 116.96 2c9t s MET 124 Ca 0.25 1.20 -0.07 0.00 -1.71 0.00 0.00 55.69 55.36 2c9t s MET 124 Cb 0.07 -3.96 0.13 0.00 2.01 0.00 0.00 34.83 33.07 2c9t s MET 124 CO 0.04 -1.33 0.55 0.00 -0.01 0.00 0.00 175.02 174.27 2c9t s ASP 126 N 2.77 6.49 -0.11 0.00 -1.08 -1.26 -3.56 116.67 119.92 2c9t s ASP 126 Ca 0.01 0.70 0.07 0.00 -0.52 0.00 0.00 52.55 52.80 2c9t s ASP 126 Cb -0.13 -2.54 0.39 0.00 -1.46 0.00 0.00 42.92 39.18 2c9t s ASP 126 CO -0.17 -1.33 1.10 -0.81 0.52 0.00 0.00 175.17 174.48 2c9t n PRO 127 N 7.92 2.87 -2.08 4.34 -0.04 -1.26 -4.87 135.00 141.88 2c9t n PRO 127 Ca 0.14 -1.51 -0.42 0.00 -0.04 0.00 0.00 63.50 61.67 2c9t n PRO 127 Cb 0.48 -1.87 -0.03 0.00 -0.04 0.00 0.00 33.50 32.05 2c9t n PRO 127 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2c9t s THR 128 N -1.84 3.70 0.00 0.52 2.01 -1.26 -1.96 115.64 116.80 2c9t s THR 128 Ca 0.26 0.84 0.00 0.00 0.31 0.00 0.00 61.69 63.10 2c9t s THR 128 Cb 0.20 -3.55 0.00 0.00 0.01 0.00 0.00 72.50 69.15 2c9t s THR 128 CO 0.08 -0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.53 2c9t n GLY 129 N 4.08 0.59 0.18 4.40 0.00 -1.26 -4.85 105.19 108.33 2c9t n GLY 129 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 2c9t n GLY 129 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2c9t h VAL 130 N 0.00 1.20 -0.08 1.61 3.04 -1.61 -2.76 116.25 117.65 2c9t h VAL 130 Ca 0.00 -1.43 0.00 0.00 -1.01 0.00 0.00 66.70 64.26 2c9t h VAL 130 Cb 0.00 1.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 2c9t h VAL 130 CO 0.00 0.40 0.00 -0.90 -1.01 0.00 0.00 177.57 176.06 2c9t n ASP 131 N -3.93 1.52 -4.51 3.17 5.75 -1.26 -0.90 116.55 116.39 2c9t n ASP 131 Ca -0.02 -2.11 -0.25 0.00 -0.01 0.00 0.00 54.79 52.40 2c9t n ASP 131 Cb 0.45 -0.48 -0.10 0.00 -1.03 0.00 0.00 41.12 39.96 2c9t n ASP 131 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2c9t s SER 132 N -0.19 3.65 0.31 -1.12 1.04 -1.04 -4.94 113.70 111.41 2c9t s SER 132 Ca 0.07 -1.12 0.01 0.00 0.48 0.00 0.00 55.95 55.39 2c9t s SER 132 Cb 0.05 -0.32 0.54 0.00 0.10 0.00 0.00 66.02 66.39 2c9t s SER 132 CO 0.02 -0.09 1.92 -0.08 0.98 0.00 0.00 173.24 176.00 2c9t h GLU 133 N 2.14 0.99 -0.03 4.02 4.81 -1.89 -1.15 114.58 123.47 2c9t h GLU 133 Ca -0.41 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 58.61 2c9t h GLU 133 Cb 1.25 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 2c9t h GLU 133 CO 0.65 0.65 -0.67 1.05 -0.73 0.00 0.00 179.01 179.97 2c9t h GLU 134 N 1.02 0.13 0.00 1.92 9.09 -1.95 -3.49 114.58 121.30 2c9t h GLU 134 Ca 0.37 -0.10 0.00 0.00 0.05 0.00 0.00 59.36 59.68 2c9t h GLU 134 Cb 0.16 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 2c9t h GLU 134 CO -0.13 0.75 0.00 0.41 0.05 0.00 0.00 179.01 180.09 2c9t n GLY 135 N 0.39 0.31 3.07 1.06 0.00 -0.44 -4.85 105.19 104.73 2c9t n GLY 135 Ca -0.02 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 2c9t n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c9t s VAL 136 N 0.00 0.05 -0.12 1.61 0.11 0.63 -4.45 120.40 118.24 2c9t s VAL 136 Ca 0.00 -0.45 -0.03 0.00 -2.93 0.00 0.00 61.98 58.57 2c9t s VAL 136 Cb 0.00 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.48 2c9t s VAL 136 CO 0.00 -0.25 -0.00 -0.89 -3.33 0.00 0.00 175.10 170.63 2c9t s THR 137 N -0.84 4.23 0.07 5.04 2.01 -1.26 -0.96 115.64 123.92 2c9t s THR 137 Ca -0.09 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 61.68 2c9t s THR 137 Cb -0.05 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 2c9t s THR 137 CO 0.01 0.55 -0.10 0.00 -0.69 0.00 0.00 174.62 174.39 2c9t s ALA 139 N -1.81 0.22 -0.04 0.00 0.00 -1.26 -0.87 121.76 118.00 2c9t s ALA 139 Ca -0.02 -0.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 2c9t s ALA 139 Cb -0.07 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.13 2c9t s ALA 139 CO 0.00 -0.06 0.09 0.54 0.00 0.00 0.00 175.76 176.34 2c9t s VAL 140 N -0.92 -0.03 0.01 0.00 0.11 0.10 -4.90 120.40 114.76 2c9t s VAL 140 Ca -0.09 0.11 -0.12 0.00 -2.93 0.00 0.00 61.98 58.95 2c9t s VAL 140 Cb -0.07 -0.15 -0.06 0.00 -1.53 0.00 0.00 36.38 34.57 2c9t s VAL 140 CO -0.00 0.04 0.38 -0.54 -3.33 0.00 0.00 175.10 171.65 2c9t s LYS 141 N 0.64 3.82 -0.05 1.54 1.02 -1.26 -0.55 119.74 124.91 2c9t s LYS 141 Ca -0.05 0.28 0.06 0.00 0.02 0.00 0.00 55.97 56.28 2c9t s LYS 141 Cb -0.07 -3.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.08 2c9t s LYS 141 CO -0.03 0.67 -0.23 -0.06 -0.92 0.00 0.00 175.35 174.78 2c9t s PHE 142 N -1.16 2.20 0.20 3.18 0.08 -0.15 -0.73 117.98 121.60 2c9t s PHE 142 Ca 0.25 -0.60 -0.22 0.00 0.12 0.00 0.00 56.93 56.48 2c9t s PHE 142 Cb -0.15 -1.44 0.07 0.00 -0.57 0.00 0.00 43.02 40.92 2c9t s PHE 142 CO 0.14 -0.16 0.98 0.20 -0.10 0.00 0.00 175.22 176.27 2c9t s GLY 143 N -0.21 0.04 0.47 4.36 0.00 -0.51 -0.78 107.32 110.70 2c9t s GLY 143 Ca -0.01 -0.25 -0.21 0.00 0.00 0.00 0.00 44.72 44.25 2c9t s GLY 143 CO 0.02 1.30 0.72 -1.26 0.00 0.00 0.00 173.10 173.88 2c9t n SER 144 N -1.01 -0.14 0.02 1.64 2.88 -1.26 0.05 113.62 115.80 2c9t n SER 144 Ca -0.05 0.89 -0.04 0.00 -1.33 0.00 0.00 58.87 58.35 2c9t n SER 144 Cb 0.60 -1.22 -0.10 0.00 -0.75 0.00 0.00 64.21 62.73 2c9t n SER 144 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 2c9t h TRP 145 N 0.85 0.00 0.00 0.66 2.91 -1.91 -3.42 115.95 115.04 2c9t h TRP 145 Ca -0.43 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.59 2c9t h TRP 145 Cb 1.38 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.03 2c9t h TRP 145 CO 0.37 0.80 -0.05 1.33 -1.03 0.00 0.00 178.44 179.86 2c9t n VAL 146 N -3.04 0.00 -4.18 2.65 0.24 -1.26 -5.07 118.33 107.67 2c9t n VAL 146 Ca -0.10 -0.27 -0.34 0.00 -2.04 0.00 0.00 64.34 61.58 2c9t n VAL 146 Cb 0.93 0.94 -0.10 0.00 -1.47 0.00 0.00 33.84 34.14 2c9t n VAL 146 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2c9t s TYR 147 N -0.64 3.18 0.90 6.34 2.02 -1.26 -5.11 117.35 122.79 2c9t s TYR 147 Ca 0.00 -0.00 -0.15 0.00 -0.37 0.00 0.00 57.07 56.55 2c9t s TYR 147 Cb 0.00 -1.99 0.21 0.00 -0.40 0.00 0.00 41.96 39.78 2c9t s TYR 147 CO 0.00 0.17 1.04 -1.13 -1.57 0.00 0.00 175.55 174.06 2c9t n SER 148 N 3.26 -0.68 0.26 2.29 3.41 -1.26 -4.72 113.62 116.17 2c9t n SER 148 Ca -0.17 -1.27 0.15 0.00 -0.26 0.00 0.00 58.87 57.32 2c9t n SER 148 Cb 0.53 -0.85 0.59 0.00 -0.26 0.00 0.00 64.21 64.21 2c9t n SER 148 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2c9t h GLY 149 N -1.81 0.00 1.62 5.00 0.00 -0.96 -1.19 103.07 105.73 2c9t h GLY 149 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2c9t h GLY 149 CO 0.24 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.47 2c9t n PHE 150 N -3.17 0.00 0.00 5.60 3.72 -1.26 -3.90 117.46 118.45 2c9t n PHE 150 Ca 0.01 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.39 2c9t n PHE 150 Cb 0.35 -0.31 -0.01 0.00 -0.94 0.00 0.00 39.48 38.58 2c9t n PHE 150 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2c9t n GLU 151 N -1.31 0.04 -4.07 -1.08 1.02 -0.96 -4.20 120.64 110.09 2c9t n GLU 151 Ca 0.10 0.02 -0.32 0.00 -0.02 0.00 0.00 57.16 56.95 2c9t n GLU 151 Cb 0.20 -0.57 -0.16 0.00 -0.02 0.00 0.00 31.44 30.89 2c9t n GLU 151 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2c9t s ILE 152 N -2.05 1.92 -0.02 -3.67 1.01 -0.49 -0.84 121.20 117.06 2c9t s ILE 152 Ca -0.03 -1.06 -0.16 0.00 0.00 0.00 0.00 60.65 59.40 2c9t s ILE 152 Cb 0.01 -1.86 -0.05 0.00 0.01 0.00 0.00 42.46 40.56 2c9t s ILE 152 CO 0.04 0.32 0.45 -0.62 0.00 0.00 0.00 174.94 175.13 2c9t s ASP 153 N 1.30 6.81 -0.05 3.58 2.15 -0.15 -3.94 116.67 126.38 2c9t s ASP 153 Ca 0.01 0.97 0.01 0.00 0.43 0.00 0.00 52.55 53.96 2c9t s ASP 153 Cb -0.15 -2.28 -0.03 0.00 -0.30 0.00 0.00 42.92 40.16 2c9t s ASP 153 CO -0.10 0.23 -0.06 -0.76 -0.17 0.00 0.00 175.17 174.31 2c9t s LEU 154 N -0.62 3.21 0.16 -1.34 1.43 -1.26 -0.77 118.68 119.49 2c9t s LEU 154 Ca 0.25 -0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 53.22 2c9t s LEU 154 Cb -0.17 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 2c9t s LEU 154 CO 0.13 0.34 0.29 -1.59 0.23 0.00 0.00 176.35 175.75 2c9t s LYS 155 N -0.99 1.15 0.24 1.70 -2.85 -0.67 -4.95 119.74 113.36 2c9t s LYS 155 Ca 0.14 -1.15 0.11 0.00 -1.00 0.00 0.00 55.97 54.07 2c9t s LYS 155 Cb -0.11 0.38 -0.05 0.00 -2.06 0.00 0.00 37.83 35.99 2c9t s LYS 155 CO 0.03 -0.42 -0.21 0.95 0.10 0.00 0.00 175.35 175.80 2c9t s THR 156 N -3.96 2.34 -0.80 3.79 -4.23 -1.26 -0.79 115.64 110.73 2c9t s THR 156 Ca 0.16 -2.23 0.24 0.00 -1.18 0.00 0.00 61.69 58.69 2c9t s THR 156 Cb 0.03 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.66 2c9t s THR 156 CO -0.01 -0.31 1.26 0.47 -0.54 0.00 0.00 174.62 175.50 2c9t n ASP 157 N -0.22 0.61 -3.53 3.99 8.00 -1.26 -4.94 116.55 119.20 2c9t n ASP 157 Ca -0.08 -0.18 -0.17 0.00 0.71 0.00 0.00 54.79 55.06 2c9t n ASP 157 Cb 0.58 0.41 -0.06 0.00 -0.02 0.00 0.00 41.12 42.04 2c9t n ASP 157 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2c9t s THR 158 N -3.10 0.00 -1.67 -3.53 -1.32 -1.26 -5.03 115.64 99.75 2c9t s THR 158 Ca 0.08 -0.04 0.27 0.00 -1.21 0.00 0.00 61.69 60.78 2c9t s THR 158 Cb 0.16 -0.98 0.27 0.00 -1.51 0.00 0.00 72.50 70.44 2c9t s THR 158 CO 0.74 -0.02 1.59 0.47 -2.21 0.00 0.00 174.62 175.19 2c9t n ASP 159 N 0.77 0.90 -4.59 8.08 8.00 -1.26 -4.75 116.55 123.70 2c9t n ASP 159 Ca -0.19 -0.78 -0.41 0.00 0.71 0.00 0.00 54.79 54.12 2c9t n ASP 159 Cb 0.58 0.11 -0.07 0.00 -0.02 0.00 0.00 41.12 41.73 2c9t n ASP 159 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2c9t s GLN 160 N -2.55 3.84 0.32 -1.24 -1.52 -1.26 -0.24 119.66 117.00 2c9t s GLN 160 Ca 0.24 0.19 -0.29 0.00 -1.95 0.00 0.00 55.36 53.54 2c9t s GLN 160 Cb 0.19 -3.75 -0.12 0.00 -0.22 0.00 0.00 33.01 29.12 2c9t s GLN 160 CO 0.53 -0.59 1.50 0.28 -0.25 0.00 0.00 175.29 176.76 2c9t n VAL 161 N 5.41 1.47 -2.55 1.09 0.31 -0.85 -4.88 118.33 118.34 2c9t n VAL 161 Ca -0.02 -0.37 -0.43 0.00 -0.01 0.00 0.00 64.34 63.51 2c9t n VAL 161 Cb 0.49 -1.86 -0.02 0.00 -0.91 0.00 0.00 33.84 31.54 2c9t n VAL 161 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2c9t s ASP 162 N 0.15 6.82 -0.03 4.52 2.15 -0.63 -4.88 116.67 124.77 2c9t s ASP 162 Ca 0.60 1.11 0.12 0.00 0.43 0.00 0.00 52.55 54.81 2c9t s ASP 162 Cb -0.52 -2.54 0.36 0.00 -0.30 0.00 0.00 42.92 39.92 2c9t s ASP 162 CO 0.56 -0.97 1.30 0.18 -0.17 0.00 0.00 175.17 176.07 2c9t n LEU 163 N 7.18 3.15 0.23 -1.34 4.77 -1.26 -1.80 117.00 127.93 2c9t n LEU 163 Ca 0.13 -2.18 0.07 0.00 -0.03 0.00 0.00 56.01 54.01 2c9t n LEU 163 Cb 0.47 -0.30 0.57 0.00 -2.33 0.00 0.00 43.42 41.83 2c9t n LEU 163 CO 0.61 0.73 0.92 0.77 -1.33 0.00 0.00 177.39 179.09 2c9t h SER 164 N 2.09 0.00 -0.63 -1.43 4.64 -1.89 -2.47 113.55 113.85 2c9t h SER 164 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c9t h SER 164 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2c9t h SER 164 CO 0.04 0.17 0.00 -1.20 -0.87 0.00 0.00 176.83 174.97 2c9t n SER 165 N -4.12 3.72 -4.69 4.97 7.64 -1.26 -5.00 113.62 114.88 2c9t n SER 165 Ca -0.02 -2.02 -0.44 0.00 1.01 0.00 0.00 58.87 57.39 2c9t n SER 165 Cb 0.25 -0.43 -0.04 0.00 -1.01 0.00 0.00 64.21 62.98 2c9t n SER 165 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2c9t n TYR 166 N 1.33 2.50 -1.75 1.43 9.36 -0.93 -4.63 117.16 124.45 2c9t n TYR 166 Ca 0.21 0.14 -0.42 0.00 3.32 0.00 0.00 57.90 61.15 2c9t n TYR 166 Cb 0.58 -2.61 -0.03 0.00 -0.63 0.00 0.00 39.34 36.65 2c9t n TYR 166 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 2c9t s TYR 167 N 1.26 1.79 -0.32 2.98 5.04 0.10 -4.87 117.35 123.32 2c9t s TYR 167 Ca 0.78 -0.15 0.27 0.00 -2.44 0.00 0.00 57.07 55.53 2c9t s TYR 167 Cb -0.59 -4.16 0.80 0.00 0.35 0.00 0.00 41.96 38.36 2c9t s TYR 167 CO 0.36 -4.95 1.76 0.00 -1.34 0.00 0.00 175.55 171.38 2c9t h ALA 168 N 9.52 1.00 -0.23 3.97 0.00 -1.89 -2.86 119.26 128.77 2c9t h ALA 168 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2c9t h ALA 168 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2c9t h ALA 168 CO 0.94 0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.62 2c9t n SER 169 N -2.88 3.45 -4.48 0.00 7.64 -1.26 -5.02 113.62 111.05 2c9t n SER 169 Ca 0.03 -2.83 -0.39 0.00 1.01 0.00 0.00 58.87 56.69 2c9t n SER 169 Cb 0.41 -0.46 0.03 0.00 -1.01 0.00 0.00 64.21 63.19 2c9t n SER 169 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2c9t n SER 170 N -0.47 -0.71 0.30 6.43 2.88 -1.08 -4.87 113.62 116.09 2c9t n SER 170 Ca 0.18 0.80 0.17 0.00 -1.33 0.00 0.00 58.87 58.69 2c9t n SER 170 Cb 0.76 -1.19 0.93 0.00 -0.75 0.00 0.00 64.21 63.96 2c9t n SER 170 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2c9t h LYS 171 N 0.49 0.00 -5.63 -1.46 1.79 -1.86 -3.43 116.57 106.46 2c9t h LYS 171 Ca -0.45 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.35 2c9t h LYS 171 Cb 1.39 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.74 2c9t h LYS 171 CO 0.49 0.03 -0.84 0.71 -1.08 0.00 0.00 179.45 178.77 2c9t s TYR 172 N -4.33 2.61 -0.05 -1.35 2.02 -1.26 0.74 117.35 115.73 2c9t s TYR 172 Ca -0.04 -0.75 -0.18 0.00 -0.37 0.00 0.00 57.07 55.73 2c9t s TYR 172 Cb 0.14 -1.71 -0.05 0.00 -0.40 0.00 0.00 41.96 39.94 2c9t s TYR 172 CO 0.52 -0.24 0.49 -2.00 -1.57 0.00 0.00 175.55 172.75 2c9t s GLU 173 N 0.09 4.21 -0.09 -0.62 2.12 0.27 -4.71 118.70 119.98 2c9t s GLU 173 Ca -0.09 0.53 -0.23 0.00 0.36 0.00 0.00 54.97 55.53 2c9t s GLU 173 Cb -0.15 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 2c9t s GLU 173 CO 0.06 0.39 0.71 0.42 -0.54 0.00 0.00 175.26 176.29 2c9t s ILE 174 N -0.15 5.03 -0.26 -3.70 -1.09 -1.26 -1.44 121.20 118.32 2c9t s ILE 174 Ca 0.27 1.44 -0.00 0.00 -2.23 0.00 0.00 60.65 60.13 2c9t s ILE 174 Cb -0.17 -4.04 -0.16 0.00 -1.58 0.00 0.00 42.46 36.51 2c9t s ILE 174 CO 0.13 0.21 -0.24 0.18 -1.23 0.00 0.00 174.94 173.99 2c9t n LEU 175 N 4.07 2.84 -3.65 2.97 4.77 0.19 -4.97 117.00 123.21 2c9t n LEU 175 Ca -0.01 -0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.77 2c9t n LEU 175 Cb 0.51 -0.89 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 2c9t n LEU 175 CO 0.47 0.88 0.17 -0.94 -1.33 0.00 0.00 177.39 176.64 2c9t s SER 176 N -6.62 -0.31 -0.15 -1.43 1.04 -1.04 -4.96 113.70 100.22 2c9t s SER 176 Ca -0.35 0.04 -0.04 0.00 0.48 0.00 0.00 55.95 56.08 2c9t s SER 176 Cb 0.10 0.43 0.07 0.00 0.10 0.00 0.00 66.02 66.72 2c9t s SER 176 CO 0.58 -0.66 0.24 0.00 0.98 0.00 0.00 173.24 174.38 2c9t s ALA 177 N -2.39 -0.46 0.19 5.32 0.00 -1.26 -0.83 121.76 122.33 2c9t s ALA 177 Ca -0.06 0.70 0.07 0.00 0.00 0.00 0.00 51.96 52.67 2c9t s ALA 177 Cb -0.01 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 2c9t s ALA 177 CO -0.02 -0.82 -0.14 0.95 0.00 0.00 0.00 175.76 175.72 2c9t s THR 178 N 2.39 1.67 -0.27 0.00 -4.23 -0.58 -2.01 115.64 112.61 2c9t s THR 178 Ca 0.04 -2.13 -0.04 0.00 -1.18 0.00 0.00 61.69 58.38 2c9t s THR 178 Cb -0.13 -1.96 0.10 0.00 1.34 0.00 0.00 72.50 71.84 2c9t s THR 178 CO -0.10 -0.56 0.14 0.00 -0.54 0.00 0.00 174.62 173.56 2c9t s GLN 179 N -3.48 0.18 -0.11 3.99 -2.07 0.66 -1.31 119.66 117.52 2c9t s GLN 179 Ca 0.20 -0.41 0.01 0.00 -1.82 0.00 0.00 55.36 53.35 2c9t s GLN 179 Cb -0.01 -1.23 0.02 0.00 -1.09 0.00 0.00 33.01 30.69 2c9t s GLN 179 CO 0.06 -0.95 -0.13 0.99 -1.32 0.00 0.00 175.29 173.94 2c9t s THR 180 N 2.13 1.32 0.20 3.63 2.01 -0.78 -4.14 115.64 120.02 2c9t s THR 180 Ca 0.08 -0.52 -0.32 0.00 0.31 0.00 0.00 61.69 61.24 2c9t s THR 180 Cb -0.16 -1.24 -0.11 0.00 0.01 0.00 0.00 72.50 71.00 2c9t s THR 180 CO -0.31 0.41 1.67 -0.60 -0.69 0.00 0.00 174.62 175.10 2c9t s ARG 181 N 1.16 4.15 0.01 4.92 3.52 -1.26 -1.35 118.95 130.10 2c9t s ARG 181 Ca -0.04 2.53 0.06 0.00 -0.13 0.00 0.00 55.73 58.15 2c9t s ARG 181 Cb -0.14 -3.10 -0.02 0.00 -1.56 0.00 0.00 34.95 30.13 2c9t s ARG 181 CO -0.03 -0.70 -0.19 -0.65 -0.81 0.00 0.00 175.30 172.91 2c9t s GLN 182 N 1.13 1.44 -0.21 5.12 -0.21 0.05 -4.96 119.66 122.01 2c9t s GLN 182 Ca 0.73 -0.75 -0.02 0.00 0.02 0.00 0.00 55.36 55.34 2c9t s GLN 182 Cb -0.48 -1.44 0.00 0.00 1.00 0.00 0.00 33.01 32.10 2c9t s GLN 182 CO 0.32 0.38 -0.09 0.08 -2.12 0.00 0.00 175.29 173.87 2c9t s VAL 183 N -0.57 2.95 0.00 1.09 1.01 -1.26 -1.22 120.40 122.41 2c9t s VAL 183 Ca 0.07 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.36 2c9t s VAL 183 Cb -0.08 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 2c9t s VAL 183 CO 0.00 0.42 0.04 -1.10 0.00 0.00 0.00 175.10 174.46 2c9t s GLN 184 N 1.41 2.92 -0.08 2.72 1.11 0.83 -4.91 119.66 123.65 2c9t s GLN 184 Ca 0.05 -0.55 0.02 0.00 0.01 0.00 0.00 55.36 54.88 2c9t s GLN 184 Cb -0.14 -2.76 0.02 0.00 -1.01 0.00 0.00 33.01 29.11 2c9t s GLN 184 CO -0.06 0.63 -0.11 -1.01 0.01 0.00 0.00 175.29 174.76 2c9t s HIS 185 N -1.15 1.43 0.26 0.91 3.76 -1.26 -0.30 115.29 118.94 2c9t s HIS 185 Ca 0.21 -0.57 -0.08 0.00 -0.15 0.00 0.00 55.06 54.47 2c9t s HIS 185 Cb -0.12 -1.09 -0.06 0.00 1.11 0.00 0.00 32.58 32.42 2c9t s HIS 185 CO 0.12 -0.33 0.56 0.71 -0.85 0.00 0.00 174.74 174.95 2c9t s TYR 186 N 0.92 3.45 0.33 1.40 2.02 -1.26 -5.00 117.35 119.21 2c9t s TYR 186 Ca -0.10 0.79 0.12 0.00 -0.37 0.00 0.00 57.07 57.50 2c9t s TYR 186 Cb -0.15 -2.20 0.55 0.00 -0.40 0.00 0.00 41.96 39.76 2c9t s TYR 186 CO 0.01 0.22 1.73 1.03 -1.57 0.00 0.00 175.55 176.96 2c9t h SER 187 N 2.17 0.00 -0.20 2.29 0.87 -2.01 -1.11 113.55 115.57 2c9t h SER 187 Ca -0.47 -0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.11 2c9t h SER 187 Cb 1.18 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2c9t h SER 187 CO 0.68 0.49 0.14 0.00 -0.53 0.00 0.00 176.83 177.60 2c9t h PRO 190 N 6.37 0.91 -6.96 0.00 0.13 -1.90 -3.36 132.00 127.19 2c9t h PRO 190 Ca -0.33 -0.39 -0.53 0.00 -0.87 0.00 0.00 66.00 63.89 2c9t h PRO 190 Cb 1.17 -0.03 0.09 0.00 0.13 0.00 0.00 31.00 32.36 2c9t h PRO 190 CO 0.49 1.04 0.62 -1.83 -0.23 0.00 0.00 178.00 178.09 2c9t s GLU 191 N -4.67 3.89 0.58 0.86 1.03 -1.26 -4.96 118.70 114.17 2c9t s GLU 191 Ca -0.12 2.17 -0.07 0.00 0.03 0.00 0.00 54.97 56.99 2c9t s GLU 191 Cb 0.11 -2.71 -0.01 0.00 -0.80 0.00 0.00 34.13 30.72 2c9t s GLU 191 CO 0.85 -0.56 0.91 -1.25 -1.33 0.00 0.00 175.26 173.88 2c9t s PRO 192 N -2.31 3.17 -0.10 -4.83 0.04 -1.26 -4.59 135.00 125.12 2c9t s PRO 192 Ca 0.58 0.21 -0.01 0.00 0.04 0.00 0.00 61.00 61.82 2c9t s PRO 192 Cb -0.38 -2.24 0.03 0.00 0.04 0.00 0.00 34.50 31.94 2c9t s PRO 192 CO 0.49 -0.59 -0.02 0.71 0.04 0.00 0.00 177.00 177.64 2c9t s TYR 193 N -2.99 0.98 -0.13 0.56 2.02 0.60 -0.57 117.35 117.81 2c9t s TYR 193 Ca 0.53 -0.45 0.01 0.00 -0.37 0.00 0.00 57.07 56.78 2c9t s TYR 193 Cb -0.11 -0.97 -0.01 0.00 -0.40 0.00 0.00 41.96 40.48 2c9t s TYR 193 CO 0.47 -0.43 -0.16 0.42 -1.57 0.00 0.00 175.55 174.29 2c9t s ILE 194 N 1.87 2.78 0.28 2.71 1.01 -1.26 -0.12 121.20 128.46 2c9t s ILE 194 Ca 0.04 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.95 2c9t s ILE 194 Cb -0.13 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.14 2c9t s ILE 194 CO -0.06 0.53 0.09 1.51 0.00 0.00 0.00 174.94 177.01 2c9t s ASP 195 N 0.43 1.52 -0.26 3.58 1.47 -0.35 -4.69 116.67 118.37 2c9t s ASP 195 Ca -0.12 -1.40 0.02 0.00 1.18 0.00 0.00 52.55 52.23 2c9t s ASP 195 Cb -0.16 0.13 0.06 0.00 -0.34 0.00 0.00 42.92 42.62 2c9t s ASP 195 CO 0.05 -0.72 -0.07 -0.69 0.68 0.00 0.00 175.17 174.42 2c9t s VAL 196 N -3.63 1.99 -0.38 2.11 1.01 0.04 -0.77 120.40 120.77 2c9t s VAL 196 Ca 0.37 -1.60 -0.25 0.00 0.00 0.00 0.00 61.98 60.50 2c9t s VAL 196 Cb 0.08 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.29 2c9t s VAL 196 CO 0.14 -0.12 0.88 0.21 0.00 0.00 0.00 175.10 176.21 2c9t s ASN 197 N 1.17 6.61 -0.34 3.32 2.47 -0.46 -0.98 114.94 126.74 2c9t s ASN 197 Ca -0.06 0.43 -0.19 0.00 0.42 0.00 0.00 52.86 53.46 2c9t s ASN 197 Cb -0.20 -2.44 -0.00 0.00 -1.45 0.00 0.00 41.25 37.16 2c9t s ASN 197 CO -0.06 -0.85 0.59 -0.22 -3.72 0.00 0.00 177.10 172.84 2c9t s LEU 198 N 3.39 4.24 -0.15 3.21 2.96 0.29 -1.87 118.68 130.76 2c9t s LEU 198 Ca 0.36 0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.46 2c9t s LEU 198 Cb -0.12 -2.72 0.02 0.00 0.50 0.00 0.00 46.19 43.87 2c9t s LEU 198 CO 0.19 -0.51 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.83 2c9t s VAL 199 N 2.56 1.93 -0.12 1.68 1.01 -0.43 -0.72 120.40 126.31 2c9t s VAL 199 Ca 0.22 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2c9t s VAL 199 Cb -0.15 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.52 2c9t s VAL 199 CO 0.13 0.52 -0.12 -0.69 0.00 0.00 0.00 175.10 174.95 2c9t s VAL 200 N 1.06 1.32 -0.23 2.92 1.01 -0.05 -1.52 120.40 124.91 2c9t s VAL 200 Ca -0.02 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 2c9t s VAL 200 Cb -0.14 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 2c9t s VAL 200 CO -0.06 0.41 0.19 -0.75 0.00 0.00 0.00 175.10 174.89 2c9t s LYS 201 N 1.40 4.08 0.12 2.72 2.20 -0.01 -1.03 119.74 129.22 2c9t s LYS 201 Ca 0.01 -0.22 -0.11 0.00 -0.36 0.00 0.00 55.97 55.29 2c9t s LYS 201 Cb -0.13 -3.54 0.01 0.00 -1.51 0.00 0.00 37.83 32.66 2c9t s LYS 201 CO -0.07 0.06 0.30 -0.59 -0.36 0.00 0.00 175.35 174.68 2c9t s PHE 202 N 1.07 0.09 0.16 4.03 -0.12 -0.14 0.54 117.98 123.61 2c9t s PHE 202 Ca 0.09 -0.46 -0.07 0.00 -0.05 0.00 0.00 56.93 56.44 2c9t s PHE 202 Cb -0.14 0.07 -0.02 0.00 -0.63 0.00 0.00 43.02 42.30 2c9t s PHE 202 CO 0.05 -0.66 0.23 -0.98 -0.05 0.00 0.00 175.22 173.81 2c9t s ARG 203 N -3.87 1.11 0.14 1.99 1.70 -0.52 -0.27 118.95 119.23 2c9t s ARG 203 Ca 0.07 -1.25 -0.31 0.00 -0.47 0.00 0.00 55.73 53.77 2c9t s ARG 203 Cb 0.03 0.34 -0.10 0.00 -0.57 0.00 0.00 34.95 34.66 2c9t s ARG 203 CO -0.08 -0.39 1.70 -1.21 -1.08 0.00 0.00 175.30 174.24 2c9t s GLU 204 N -3.99 4.17 0.00 3.89 2.02 -0.08 0.97 118.70 125.68 2c9t s GLU 204 Ca 0.20 2.47 0.00 0.00 0.02 0.00 0.00 54.97 57.66 2c9t s GLU 204 Cb 0.04 -3.37 0.00 0.00 0.10 0.00 0.00 34.13 30.90 2c9t s GLU 204 CO 0.01 -0.74 0.00 2.89 0.02 0.00 0.00 175.26 177.44