#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 -0.39 -0.77 2.61 0.00 -2.03 -1.11 119.26 117.58 2c9t h ALA 2 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2c9t h ALA 2 Cb 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2c9t h ALA 2 CO 0.00 -0.74 0.34 -0.91 0.00 0.00 0.00 179.25 177.95 2c9t h ASN 3 N -0.41 1.01 -0.20 0.00 2.35 -1.99 -2.03 115.58 114.31 2c9t h ASN 3 Ca -0.01 -0.13 -0.16 0.00 -0.55 0.00 0.00 56.30 55.45 2c9t h ASN 3 Cb 0.37 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2c9t h ASN 3 CO -0.02 0.87 -0.45 0.25 -1.65 0.00 0.00 177.43 176.43 2c9t h LEU 4 N 1.10 0.82 -0.25 1.61 5.85 -1.84 -1.70 115.31 120.90 2c9t h LEU 4 Ca 0.26 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2c9t h LEU 4 Cb 0.15 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2c9t h LEU 4 CO -0.03 1.15 0.16 0.24 -0.34 0.00 0.00 178.44 179.62 2c9t h MET 5 N 0.61 0.34 -0.60 1.25 2.86 -1.00 -1.10 114.93 117.28 2c9t h MET 5 Ca 0.04 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.69 2c9t h MET 5 Cb 1.01 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.56 2c9t h MET 5 CO 0.10 0.24 0.36 0.00 1.06 0.00 0.00 176.91 178.66 2c9t h ARG 6 N 0.34 0.67 -0.11 1.72 3.08 -1.21 0.13 114.38 119.00 2c9t h ARG 6 Ca 0.09 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.11 2c9t h ARG 6 Cb -0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 2c9t h ARG 6 CO -0.02 0.45 0.05 1.25 -1.07 0.00 0.00 179.97 180.63 2c9t h LEU 7 N 0.69 0.08 -0.52 3.04 5.85 -1.05 0.32 115.31 123.72 2c9t h LEU 7 Ca 0.25 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.85 2c9t h LEU 7 Cb 0.06 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2c9t h LEU 7 CO -0.12 0.07 -0.19 0.11 -0.34 0.00 0.00 178.44 177.97 2c9t h LYS 8 N 0.12 1.00 -0.10 1.25 1.57 -1.08 0.21 116.57 119.54 2c9t h LYS 8 Ca 0.04 -0.41 0.01 0.00 -1.87 0.00 0.00 60.65 58.42 2c9t h LYS 8 Cb 0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2c9t h LYS 8 CO -0.03 1.09 0.05 1.03 -0.57 0.00 0.00 179.45 181.02 2c9t h SER 9 N 0.87 0.06 -0.38 0.86 0.87 -0.78 -1.32 113.55 113.74 2c9t h SER 9 Ca 0.12 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2c9t h SER 9 Cb 0.76 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 2c9t h SER 9 CO 0.06 0.05 0.24 0.44 -0.53 0.00 0.00 176.83 177.09 2c9t h ASP 10 N 0.10 0.45 0.22 6.23 3.32 -0.19 0.73 116.42 127.27 2c9t h ASP 10 Ca 0.04 -0.04 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 2c9t h ASP 10 Cb 0.01 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2c9t h ASP 10 CO -0.03 0.36 -0.54 -0.07 -1.72 0.00 0.00 179.24 177.24 2c9t h LEU 11 N 0.50 0.38 0.00 1.55 3.38 -0.49 -3.36 115.31 117.27 2c9t h LEU 11 Ca 0.14 -0.20 -0.21 0.00 0.09 0.00 0.00 57.88 57.70 2c9t h LEU 11 Cb -0.02 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2c9t h LEU 11 CO -0.03 0.85 -1.78 0.49 0.09 0.00 0.00 178.44 178.05 2c9t n PHE 12 N -3.94 0.00 1.06 1.13 3.72 -0.51 -4.70 117.46 114.24 2c9t n PHE 12 Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 2c9t n PHE 12 Cb 0.58 -0.56 0.14 0.00 -0.94 0.00 0.00 39.48 38.70 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 -2.50 2.69 -0.05 4.37 3.02 0.24 -4.50 115.26 118.53 2c9t n ASN 13 Ca -0.20 -1.87 0.00 0.00 -0.03 0.00 0.00 54.58 52.48 2c9t n ASN 13 Cb 0.85 0.05 -0.15 0.00 -0.61 0.00 0.00 39.78 39.92 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 1.04 0.76 -4.14 3.52 1.74 -1.25 -5.02 116.66 113.31 2c9t n ARG 14 Ca 0.14 -0.10 -0.10 0.00 -0.77 0.00 0.00 57.85 57.02 2c9t n ARG 14 Cb 0.55 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.40 2c9t n ARG 14 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2c9t s SER 15 N -4.87 1.01 0.73 0.55 0.01 -1.26 -5.15 113.70 104.72 2c9t s SER 15 Ca -0.08 -0.94 -0.11 0.00 1.31 0.00 0.00 55.95 56.12 2c9t s SER 15 Cb 0.09 0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.46 2c9t s SER 15 CO 0.81 -0.45 1.08 -2.84 0.41 0.00 0.00 173.24 172.26 2c9t s PRO 16 N -3.53 2.56 0.76 12.44 0.02 -1.26 -4.92 135.00 141.07 2c9t s PRO 16 Ca 0.08 1.15 -0.14 0.00 0.02 0.00 0.00 61.00 62.11 2c9t s PRO 16 Cb 0.03 -1.93 0.06 0.00 0.02 0.00 0.00 34.50 32.68 2c9t s PRO 16 CO -0.05 -1.41 1.20 1.41 -0.33 0.00 0.00 177.00 177.83 2c9t s MET 17 N -4.78 1.94 0.08 5.54 1.75 -1.26 -4.90 119.30 117.66 2c9t s MET 17 Ca 0.61 1.74 -0.36 0.00 -1.25 0.00 0.00 55.69 56.43 2c9t s MET 17 Cb -0.17 -1.81 -0.16 0.00 2.84 0.00 0.00 34.83 35.53 2c9t s MET 17 CO 0.53 -1.98 1.44 0.98 -0.65 0.00 0.00 175.02 175.33 2c9t n TYR 18 N -2.98 1.76 0.60 4.11 9.36 -1.26 -4.85 117.16 123.89 2c9t n TYR 18 Ca 0.13 0.52 0.03 0.00 3.32 0.00 0.00 57.90 61.90 2c9t n TYR 18 Cb 0.50 -2.40 0.13 0.00 -0.63 0.00 0.00 39.34 36.94 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 3.02 2.09 -0.22 2.98 -0.04 -1.26 -4.85 135.00 136.72 2c9t n PRO 19 Ca 0.19 -0.98 0.03 0.00 -0.04 0.00 0.00 63.50 62.69 2c9t n PRO 19 Cb 0.21 -1.61 -0.01 0.00 -0.04 0.00 0.00 33.50 32.05 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 0.37 -2.50 3.76 0.55 0.00 -1.26 -5.00 105.19 101.10 2c9t n GLY 20 Ca 0.09 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.85 1.70 0.30 1.61 0.04 -1.26 -5.05 135.00 129.48 2c9t s PRO 21 Ca 0.00 0.79 0.03 0.00 0.04 0.00 0.00 61.00 61.86 2c9t s PRO 21 Cb 0.00 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 2c9t s PRO 21 CO 0.00 -1.92 0.14 0.95 0.04 0.00 0.00 177.00 176.21 2c9t s THR 22 N -3.02 0.43 0.41 1.26 -4.23 -1.07 -4.97 115.64 104.45 2c9t s THR 22 Ca 0.62 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.22 2c9t s THR 22 Cb -0.16 -2.54 0.22 0.00 1.34 0.00 0.00 72.50 71.35 2c9t s THR 22 CO 0.56 0.00 2.00 0.07 -0.54 0.00 0.00 174.62 176.71 2c9t h LYS 23 N 2.21 0.36 0.00 3.99 2.10 -1.91 -1.36 116.57 121.96 2c9t h LYS 23 Ca -0.35 -0.05 -0.06 0.00 -2.00 0.00 0.00 60.65 58.19 2c9t h LYS 23 Cb 1.25 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.50 2c9t h LYS 23 CO 0.55 0.34 -0.31 -0.44 -2.00 0.00 0.00 179.45 177.59 2c9t h ASP 24 N 0.36 0.00 -2.06 7.07 3.32 -1.96 -3.37 116.42 119.77 2c9t h ASP 24 Ca 0.09 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.57 2c9t h ASP 24 Cb 0.14 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.30 2c9t h ASP 24 CO -0.00 0.31 -1.03 0.47 -1.72 0.00 0.00 179.24 177.26 2c9t n ASP 25 N -3.88 0.60 -4.77 6.45 8.00 -0.82 -5.12 116.55 117.01 2c9t n ASP 25 Ca -0.02 -2.77 -0.30 0.00 0.71 0.00 0.00 54.79 52.42 2c9t n ASP 25 Cb 0.38 -0.64 0.11 0.00 -0.02 0.00 0.00 41.12 40.95 2c9t n ASP 25 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2c9t s PRO 26 N -1.25 1.74 0.01 -0.24 0.04 -0.58 -2.59 135.00 132.13 2c9t s PRO 26 Ca 0.35 0.72 -0.00 0.00 0.04 0.00 0.00 61.00 62.12 2c9t s PRO 26 Cb 0.16 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 2c9t s PRO 26 CO -0.11 -1.88 -0.01 -1.17 0.04 0.00 0.00 177.00 173.87 2c9t s LEU 27 N -5.97 2.14 -0.15 -3.56 2.96 -0.15 -4.94 118.68 109.00 2c9t s LEU 27 Ca 0.62 -0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 54.17 2c9t s LEU 27 Cb -0.16 0.08 -0.03 0.00 0.50 0.00 0.00 46.19 46.58 2c9t s LEU 27 CO 0.55 -0.19 0.00 -0.89 -1.32 0.00 0.00 176.35 174.50 2c9t s THR 28 N -0.93 4.25 -0.15 3.68 2.01 -1.26 -0.55 115.64 122.69 2c9t s THR 28 Ca -0.10 -0.23 -0.01 0.00 0.31 0.00 0.00 61.69 61.65 2c9t s THR 28 Cb -0.06 -2.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.56 2c9t s THR 28 CO -0.01 0.50 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.63 2c9t s VAL 29 N 0.19 3.21 -0.20 3.82 1.01 0.42 -4.36 120.40 124.50 2c9t s VAL 29 Ca 0.01 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 2c9t s VAL 29 Cb -0.13 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2c9t s VAL 29 CO 0.02 0.50 0.06 -0.89 0.00 0.00 0.00 175.10 174.80 2c9t s THR 30 N 0.55 4.70 -0.05 3.92 2.01 -0.01 -1.35 115.64 125.41 2c9t s THR 30 Ca -0.07 -0.06 0.06 0.00 0.31 0.00 0.00 61.69 61.93 2c9t s THR 30 Cb -0.15 -3.13 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 2c9t s THR 30 CO 0.03 0.43 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.95 2c9t s LEU 31 N 0.62 2.03 0.15 4.42 2.96 0.81 -1.54 118.68 128.12 2c9t s LEU 31 Ca 0.03 -0.46 -0.10 0.00 -0.22 0.00 0.00 54.13 53.38 2c9t s LEU 31 Cb -0.13 -1.26 0.00 0.00 0.50 0.00 0.00 46.19 45.30 2c9t s LEU 31 CO 0.01 0.24 0.30 -0.83 -1.32 0.00 0.00 176.35 174.75 2c9t s GLY 32 N -0.22 0.27 -0.02 7.98 0.00 -0.82 -4.23 107.32 110.28 2c9t s GLY 32 Ca -0.00 -0.69 0.06 0.00 0.00 0.00 0.00 44.72 44.09 2c9t s GLY 32 CO 0.02 -0.72 -0.20 -1.36 0.00 0.00 0.00 173.10 170.84 2c9t s PHE 33 N -3.92 1.85 -0.33 1.90 0.08 -1.26 -0.79 117.98 115.50 2c9t s PHE 33 Ca 0.13 -0.40 -0.02 0.00 0.12 0.00 0.00 56.93 56.76 2c9t s PHE 33 Cb 0.03 -1.20 0.07 0.00 -0.57 0.00 0.00 43.02 41.35 2c9t s PHE 33 CO -0.04 -0.07 0.06 0.99 -0.10 0.00 0.00 175.22 176.06 2c9t s THR 34 N -0.36 3.02 -0.25 0.64 2.01 -0.52 -1.59 115.64 118.59 2c9t s THR 34 Ca 0.05 -1.63 -0.26 0.00 0.31 0.00 0.00 61.69 60.16 2c9t s THR 34 Cb -0.09 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 69.57 2c9t s THR 34 CO 0.00 -0.30 0.92 -0.22 -0.69 0.00 0.00 174.62 174.34 2c9t s LEU 35 N 1.20 4.07 -0.13 4.42 2.96 -0.55 -1.19 118.68 129.47 2c9t s LEU 35 Ca -0.01 1.11 0.01 0.00 -0.22 0.00 0.00 54.13 55.03 2c9t s LEU 35 Cb -0.20 -3.33 -0.24 0.00 0.50 0.00 0.00 46.19 42.91 2c9t s LEU 35 CO -0.02 -0.62 0.32 0.00 -1.32 0.00 0.00 176.35 174.71 2c9t n GLN 36 N 6.23 0.71 -3.64 1.98 1.13 0.08 -3.21 117.38 120.66 2c9t n GLN 36 Ca 0.08 0.23 -0.07 0.00 -1.94 0.00 0.00 57.00 55.30 2c9t n GLN 36 Cb 0.47 -1.69 -0.07 0.00 0.11 0.00 0.00 30.24 29.06 2c9t n GLN 36 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2c9t s ASP 37 N -6.62 -0.42 -0.47 1.08 2.15 -0.76 -0.02 116.67 111.61 2c9t s ASP 37 Ca -0.19 0.79 -0.20 0.00 0.43 0.00 0.00 52.55 53.38 2c9t s ASP 37 Cb 0.07 0.87 0.04 0.00 -0.30 0.00 0.00 42.92 43.60 2c9t s ASP 37 CO 0.76 -0.13 0.62 -0.63 -0.17 0.00 0.00 175.17 175.62 2c9t s ILE 38 N 0.42 4.86 -0.08 4.11 1.01 -1.26 -0.54 121.20 129.71 2c9t s ILE 38 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.47 2c9t s ILE 38 Cb -0.05 -4.24 -0.25 0.00 0.01 0.00 0.00 42.46 37.93 2c9t s ILE 38 CO -0.09 -0.69 0.51 1.62 0.00 0.00 0.00 174.94 176.29 2c9t h VAL 39 N 5.86 0.74 -3.27 2.92 3.04 -1.31 -3.41 116.25 120.82 2c9t h VAL 39 Ca -0.26 -2.50 -0.15 0.00 -1.01 0.00 0.00 66.70 62.77 2c9t h VAL 39 Cb 1.10 2.50 -0.23 0.00 -2.01 0.00 0.00 31.29 32.65 2c9t h VAL 39 CO 0.92 0.75 -0.43 -0.75 -1.01 0.00 0.00 177.57 177.05 2c9t s LYS 40 N -2.58 0.44 -0.02 4.17 2.20 -1.21 -4.94 119.74 117.80 2c9t s LYS 40 Ca -0.15 -0.06 0.03 0.00 -0.36 0.00 0.00 55.97 55.43 2c9t s LYS 40 Cb 0.07 0.19 -0.00 0.00 -1.51 0.00 0.00 37.83 36.58 2c9t s LYS 40 CO 0.80 -0.10 -0.12 0.08 -0.36 0.00 0.00 175.35 175.65 2c9t s VAL 41 N -0.77 1.03 -0.26 4.02 1.01 -1.26 -1.09 120.40 123.08 2c9t s VAL 41 Ca -0.09 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 2c9t s VAL 41 Cb -0.05 -0.88 0.08 0.00 0.00 0.00 0.00 36.38 35.53 2c9t s VAL 41 CO 0.02 0.30 0.04 -0.62 0.00 0.00 0.00 175.10 174.84 2c9t s ASP 42 N -0.02 3.69 0.08 3.32 -1.08 0.65 -4.98 116.67 118.34 2c9t s ASP 42 Ca -0.00 -1.32 0.27 0.00 -0.52 0.00 0.00 52.55 50.98 2c9t s ASP 42 Cb -0.08 -0.89 0.87 0.00 -1.46 0.00 0.00 42.92 41.36 2c9t s ASP 42 CO 0.00 -0.34 1.72 -1.54 0.52 0.00 0.00 175.17 175.53 2c9t n SER 43 N 4.84 0.43 0.16 -0.34 3.41 -1.26 -0.59 113.62 120.27 2c9t n SER 43 Ca -0.06 0.36 0.12 0.00 -0.26 0.00 0.00 58.87 59.03 2c9t n SER 43 Cb 0.44 -0.39 0.19 0.00 -0.26 0.00 0.00 64.21 64.18 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 0.00 0.00 0.00 4.04 4.64 -1.96 -3.38 113.55 116.89 2c9t h SER 44 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2c9t h SER 44 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2c9t h SER 44 CO 0.00 0.01 0.00 0.35 -0.87 0.00 0.00 176.83 176.32 2c9t n THR 45 N -2.78 0.00 -3.82 2.95 -2.24 -1.15 -5.03 114.28 102.20 2c9t n THR 45 Ca 0.04 -0.43 -0.23 0.00 -2.27 0.00 0.00 64.05 61.15 2c9t n THR 45 Cb 0.51 1.02 0.01 0.00 -2.10 0.00 0.00 70.33 69.76 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 -0.75 -0.82 -4.37 3.42 4.13 0.24 -4.93 115.26 112.19 2c9t n ASN 46 Ca 0.00 -0.92 -0.31 0.00 1.68 0.00 0.00 54.58 55.03 2c9t n ASN 46 Cb 0.00 -3.54 -0.15 0.00 -1.54 0.00 0.00 39.78 34.56 2c9t n ASN 46 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2c9t s GLU 47 N -6.26 2.22 -0.03 3.52 2.02 -1.07 -0.74 118.70 118.36 2c9t s GLU 47 Ca 0.01 -0.87 0.06 0.00 0.02 0.00 0.00 54.97 54.20 2c9t s GLU 47 Cb -0.00 -2.15 -0.01 0.00 0.10 0.00 0.00 34.13 32.06 2c9t s GLU 47 CO 0.85 0.58 -0.22 0.08 0.02 0.00 0.00 175.26 176.57 2c9t s VAL 48 N -0.68 1.75 -0.24 2.63 1.01 -0.43 -0.25 120.40 124.20 2c9t s VAL 48 Ca 0.11 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 2c9t s VAL 48 Cb -0.10 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 2c9t s VAL 48 CO -0.00 0.49 0.02 -1.81 0.00 0.00 0.00 175.10 173.80 2c9t s ASP 49 N -0.36 4.75 0.04 3.32 1.11 -0.25 -1.76 116.67 123.52 2c9t s ASP 49 Ca 0.04 -0.32 0.01 0.00 0.18 0.00 0.00 52.55 52.47 2c9t s ASP 49 Cb -0.10 -1.84 -0.04 0.00 1.07 0.00 0.00 42.92 42.01 2c9t s ASP 49 CO 0.01 -0.04 0.08 -0.76 1.18 0.00 0.00 175.17 175.64 2c9t s LEU 50 N 1.55 3.83 -0.16 1.23 1.43 0.32 -0.77 118.68 126.10 2c9t s LEU 50 Ca 0.06 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 2c9t s LEU 50 Cb -0.15 -2.37 0.02 0.00 0.03 0.00 0.00 46.19 43.72 2c9t s LEU 50 CO 0.00 0.22 -0.21 -0.69 0.23 0.00 0.00 176.35 175.91 2c9t s VAL 51 N -1.29 2.07 0.15 -1.59 1.01 0.29 -1.45 120.40 119.59 2c9t s VAL 51 Ca 0.26 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 2c9t s VAL 51 Cb -0.12 -1.85 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 2c9t s VAL 51 CO 0.18 0.54 0.30 -0.72 0.00 0.00 0.00 175.10 175.40 2c9t s TYR 52 N 1.08 0.29 -0.21 5.22 -0.85 -0.68 -0.74 117.35 121.47 2c9t s TYR 52 Ca -0.00 -0.66 -0.10 0.00 -0.52 0.00 0.00 57.07 55.79 2c9t s TYR 52 Cb -0.14 -0.00 -0.05 0.00 0.38 0.00 0.00 41.96 42.15 2c9t s TYR 52 CO -0.08 -0.71 0.13 0.71 -1.52 0.00 0.00 175.55 174.08 2c9t s TYR 53 N -3.94 3.37 -0.50 -3.49 2.02 -0.33 -0.64 117.35 113.84 2c9t s TYR 53 Ca 0.14 0.28 -0.13 0.00 -0.37 0.00 0.00 57.07 56.99 2c9t s TYR 53 Cb 0.03 -2.18 0.12 0.00 -0.40 0.00 0.00 41.96 39.53 2c9t s TYR 53 CO -0.02 0.22 0.41 -2.00 -1.57 0.00 0.00 175.55 172.59 2c9t s GLU 54 N 0.52 2.76 0.12 -0.62 2.12 -0.67 -1.44 118.70 121.50 2c9t s GLU 54 Ca 0.07 -1.67 -0.31 0.00 0.36 0.00 0.00 54.97 53.42 2c9t s GLU 54 Cb -0.12 -4.09 -0.08 0.00 0.26 0.00 0.00 34.13 30.10 2c9t s GLU 54 CO -0.00 -1.21 1.36 -0.65 -0.54 0.00 0.00 175.26 174.22 2c9t s GLN 55 N 1.50 4.34 -0.02 4.30 -0.21 0.03 -3.32 119.66 126.27 2c9t s GLN 55 Ca 0.04 2.05 0.01 0.00 0.02 0.00 0.00 55.36 57.48 2c9t s GLN 55 Cb -0.27 -3.24 0.01 0.00 1.00 0.00 0.00 33.01 30.50 2c9t s GLN 55 CO 0.02 -0.40 -0.03 -0.65 -2.12 0.00 0.00 175.29 172.11 2c9t s GLN 56 N 0.90 0.45 -0.02 2.91 -0.21 0.51 -1.94 119.66 122.27 2c9t s GLN 56 Ca 0.63 -0.08 -0.01 0.00 0.02 0.00 0.00 55.36 55.92 2c9t s GLN 56 Cb -0.36 -0.50 0.01 0.00 1.00 0.00 0.00 33.01 33.15 2c9t s GLN 56 CO 0.31 -0.01 0.05 0.50 -2.12 0.00 0.00 175.29 174.02 2c9t s ARG 57 N 0.47 0.05 0.32 2.91 3.52 -0.59 -1.01 118.95 124.62 2c9t s ARG 57 Ca -0.05 0.09 -0.16 0.00 -0.13 0.00 0.00 55.73 55.48 2c9t s ARG 57 Cb -0.08 -0.01 0.03 0.00 -1.56 0.00 0.00 34.95 33.33 2c9t s ARG 57 CO -0.01 -0.03 0.69 1.67 -0.81 0.00 0.00 175.30 176.82 2c9t s TRP 58 N 0.18 0.13 -0.02 5.12 -2.14 -0.98 -0.83 118.94 120.40 2c9t s TRP 58 Ca -0.01 -0.64 0.00 0.00 2.66 0.00 0.00 56.10 58.11 2c9t s TRP 58 Cb -0.02 0.61 0.02 0.00 -3.10 0.00 0.00 33.47 30.99 2c9t s TRP 58 CO -0.01 -1.33 0.01 0.21 -2.66 0.00 0.00 176.95 173.18 2c9t s LYS 59 N -3.21 0.10 -0.13 3.25 2.20 -1.26 -0.48 119.74 120.21 2c9t s LYS 59 Ca 0.16 0.10 0.03 0.00 -0.36 0.00 0.00 55.97 55.90 2c9t s LYS 59 Cb -0.04 -0.30 0.01 0.00 -1.51 0.00 0.00 37.83 35.98 2c9t s LYS 59 CO 0.10 -0.12 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.24 2c9t s LEU 60 N 0.84 2.12 0.36 5.43 1.02 0.15 -4.93 118.68 123.68 2c9t s LEU 60 Ca -0.08 -0.59 0.04 0.00 0.02 0.00 0.00 54.13 53.52 2c9t s LEU 60 Cb -0.11 -1.44 0.69 0.00 0.02 0.00 0.00 46.19 45.35 2c9t s LEU 60 CO -0.02 0.10 2.02 0.78 0.02 0.00 0.00 176.35 179.25 2c9t h ASN 61 N 7.17 0.67 0.35 2.29 2.35 -1.87 -1.62 115.58 124.92 2c9t h ASN 61 Ca -0.29 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2c9t h ASN 61 Cb 1.20 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.41 2c9t h ASN 61 CO 0.53 0.48 0.00 -1.54 -1.65 0.00 0.00 177.43 175.26 2c9t n SER 62 N -4.45 0.00 -0.85 5.81 3.41 -1.26 -2.49 113.62 113.79 2c9t n SER 62 Ca 0.06 0.48 0.08 0.00 -0.26 0.00 0.00 58.87 59.23 2c9t n SER 62 Cb 0.06 -0.49 0.17 0.00 -0.26 0.00 0.00 64.21 63.69 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 -1.49 3.02 -4.82 1.04 4.77 -0.61 -4.97 117.00 113.94 2c9t n LEU 63 Ca 0.03 -1.63 -0.34 0.00 -0.03 0.00 0.00 56.01 54.04 2c9t n LEU 63 Cb 0.12 -0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 2c9t n LEU 63 CO 0.10 0.69 0.59 -0.04 -1.33 0.00 0.00 177.39 177.40 2c9t s MET 64 N -1.14 4.23 0.07 3.23 -1.94 -1.04 -4.03 119.30 118.67 2c9t s MET 64 Ca 0.29 1.04 -0.11 0.00 -1.71 0.00 0.00 55.69 55.20 2c9t s MET 64 Cb 0.17 -2.35 0.01 0.00 2.01 0.00 0.00 34.83 34.66 2c9t s MET 64 CO 0.23 0.07 0.25 1.67 -0.01 0.00 0.00 175.02 177.23 2c9t s TRP 65 N -2.03 0.01 -0.35 -0.03 -2.14 -0.25 -4.95 118.94 109.20 2c9t s TRP 65 Ca 0.58 -0.30 -0.28 0.00 2.66 0.00 0.00 56.10 58.76 2c9t s TRP 65 Cb -0.11 0.03 0.02 0.00 -3.10 0.00 0.00 33.47 30.31 2c9t s TRP 65 CO 0.16 -0.53 1.03 0.34 -2.66 0.00 0.00 176.95 175.29 2c9t s ASP 66 N -2.46 6.82 0.54 -2.66 -1.08 -1.26 -4.65 116.67 111.91 2c9t s ASP 66 Ca -0.00 0.84 0.27 0.00 -0.52 0.00 0.00 52.55 53.13 2c9t s ASP 66 Cb 0.02 -2.52 1.43 0.00 -1.46 0.00 0.00 42.92 40.39 2c9t s ASP 66 CO -0.07 -0.91 1.97 -0.65 0.52 0.00 0.00 175.17 176.02 2c9t h PRO 67 N 8.35 0.00 -0.11 4.34 0.11 -1.94 -2.20 132.00 140.55 2c9t h PRO 67 Ca -0.22 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.80 2c9t h PRO 67 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2c9t h PRO 67 CO 1.03 0.00 -0.34 -0.97 -0.21 0.00 0.00 178.00 177.51 2c9t h ASN 68 N 0.00 0.23 0.60 -2.05 -1.24 -1.92 0.15 115.58 111.35 2c9t h ASN 68 Ca 0.28 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.21 2c9t h ASN 68 Cb 1.16 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.15 2c9t h ASN 68 CO -0.00 0.56 0.00 -0.62 -1.29 0.00 0.00 177.43 176.08 2c9t n GLU 69 N -4.09 0.16 -2.63 6.67 1.02 -0.83 -4.10 120.64 116.85 2c9t n GLU 69 Ca -0.01 0.42 -0.12 0.00 -0.02 0.00 0.00 57.16 57.43 2c9t n GLU 69 Cb 0.42 -1.82 0.03 0.00 -0.02 0.00 0.00 31.44 30.05 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 -2.11 1.64 -3.31 -0.32 4.01 -0.77 -4.99 117.16 111.30 2c9t n TYR 70 Ca 0.02 -2.73 -0.24 0.00 -0.16 0.00 0.00 57.90 54.79 2c9t n TYR 70 Cb 0.20 -0.30 0.05 0.00 -0.31 0.00 0.00 39.34 38.97 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 -0.24 -0.53 2.55 2.72 0.00 -1.17 -2.26 105.19 106.26 2c9t n GLY 71 Ca 0.16 0.18 -0.12 0.00 0.00 0.00 0.00 46.02 46.24 2c9t n GLY 71 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2c9t n ASN 72 N -2.73 -5.05 -4.70 1.61 3.02 0.47 -4.98 115.26 102.91 2c9t n ASN 72 Ca -0.05 0.30 -0.42 0.00 -0.03 0.00 0.00 54.58 54.38 2c9t n ASN 72 Cb 0.59 -3.62 -0.03 0.00 -0.61 0.00 0.00 39.78 36.11 2c9t n ASN 72 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2c9t s ILE 73 N -2.26 2.49 -0.04 2.41 1.01 -0.96 -4.88 121.20 118.97 2c9t s ILE 73 Ca 0.00 0.09 0.14 0.00 0.00 0.00 0.00 60.65 60.88 2c9t s ILE 73 Cb 0.00 -3.06 -0.22 0.00 0.01 0.00 0.00 42.46 39.20 2c9t s ILE 73 CO 0.00 0.00 0.26 0.35 0.00 0.00 0.00 174.94 175.56 2c9t n THR 74 N 4.59 0.20 -3.48 2.92 -2.24 -1.26 -4.40 114.28 110.62 2c9t n THR 74 Ca 0.17 -0.39 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 2c9t n THR 74 Cb 0.38 -0.01 -0.04 0.00 -2.10 0.00 0.00 70.33 68.57 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 -3.90 -0.55 0.21 3.42 -4.77 -1.26 -0.74 116.67 109.08 2c9t s ASP 75 Ca -0.06 0.27 -0.10 0.00 -3.30 0.00 0.00 52.55 49.36 2c9t s ASP 75 Cb 0.08 0.52 -0.01 0.00 -1.09 0.00 0.00 42.92 42.42 2c9t s ASP 75 CO 0.60 -0.74 0.35 0.72 0.70 0.00 0.00 175.17 176.80 2c9t s PHE 76 N -2.60 0.50 -0.07 2.11 -0.12 0.17 -4.99 117.98 112.98 2c9t s PHE 76 Ca -0.02 -0.83 0.01 0.00 -0.05 0.00 0.00 56.93 56.04 2c9t s PHE 76 Cb -0.01 -0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.33 2c9t s PHE 76 CO -0.04 -0.83 -0.09 1.03 -0.05 0.00 0.00 175.22 175.24 2c9t s ARG 77 N -4.02 2.78 0.07 1.99 3.00 -1.26 -0.34 118.95 121.16 2c9t s ARG 77 Ca 0.23 -0.60 -0.16 0.00 0.00 0.00 0.00 55.73 55.20 2c9t s ARG 77 Cb 0.02 -2.55 0.03 0.00 0.00 0.00 0.00 34.95 32.45 2c9t s ARG 77 CO 0.06 0.60 0.37 -0.08 0.00 0.00 0.00 175.30 176.24 2c9t s THR 78 N -0.64 0.07 0.19 0.02 -1.32 -0.19 -4.98 115.64 108.79 2c9t s THR 78 Ca 0.10 -0.59 -0.33 0.00 -1.21 0.00 0.00 61.69 59.66 2c9t s THR 78 Cb -0.11 -1.03 -0.14 0.00 -1.51 0.00 0.00 72.50 69.71 2c9t s THR 78 CO 0.02 -0.32 1.46 -0.24 -2.21 0.00 0.00 174.62 173.32 2c9t n SER 79 N 0.30 2.72 0.30 8.08 2.88 -1.26 -0.44 113.62 126.19 2c9t n SER 79 Ca -0.18 1.12 0.20 0.00 -1.33 0.00 0.00 58.87 58.68 2c9t n SER 79 Cb 0.61 -1.39 1.02 0.00 -0.75 0.00 0.00 64.21 63.70 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 4.91 1.00 0.00 -1.46 0.00 -1.55 -0.57 119.26 121.60 2c9t h ALA 80 Ca -0.45 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2c9t h ALA 80 Cb 1.28 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2c9t h ALA 80 CO 0.81 0.00 -0.06 0.00 0.00 0.00 0.00 179.25 180.00 2c9t h ALA 81 N 2.01 1.53 0.00 0.00 0.00 -1.90 -3.15 119.26 117.74 2c9t h ALA 81 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2c9t h ALA 81 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2c9t h ALA 81 CO 0.00 0.07 0.00 -0.25 0.00 0.00 0.00 179.25 179.07 2c9t n ASP 82 N -3.92 0.11 -4.25 0.00 8.00 -0.22 -4.85 116.55 111.42 2c9t n ASP 82 Ca -0.03 0.51 -0.14 0.00 0.71 0.00 0.00 54.79 55.85 2c9t n ASP 82 Cb 0.15 -0.54 -0.10 0.00 -0.02 0.00 0.00 41.12 40.61 2c9t n ASP 82 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2c9t s ILE 83 N -3.02 0.96 0.24 0.53 -4.36 -1.19 -4.99 121.20 109.36 2c9t s ILE 83 Ca 0.12 -2.02 -0.30 0.00 -0.26 0.00 0.00 60.65 58.19 2c9t s ILE 83 Cb 0.16 -1.95 -0.10 0.00 1.25 0.00 0.00 42.46 41.82 2c9t s ILE 83 CO 0.47 -0.65 1.45 0.86 0.24 0.00 0.00 174.94 177.31 2c9t s TRP 84 N -3.47 3.02 0.07 1.37 -0.00 -1.26 -4.96 118.94 113.72 2c9t s TRP 84 Ca 0.19 1.00 0.07 0.00 -0.00 0.00 0.00 56.10 57.35 2c9t s TRP 84 Cb 0.04 -3.83 -0.03 0.00 -0.00 0.00 0.00 33.47 29.66 2c9t s TRP 84 CO 0.01 -2.72 -0.18 0.95 -0.00 0.00 0.00 176.95 175.02 2c9t s THR 85 N 0.09 1.43 0.51 5.86 -4.23 -1.26 -5.12 115.64 112.92 2c9t s THR 85 Ca 0.60 -1.33 -0.20 0.00 -1.18 0.00 0.00 61.69 59.58 2c9t s THR 85 Cb -0.42 -1.30 -0.07 0.00 1.34 0.00 0.00 72.50 72.04 2c9t s THR 85 CO 0.42 -0.06 1.07 -2.16 -0.54 0.00 0.00 174.62 173.35 2c9t s PRO 86 N -1.62 3.62 -0.70 3.99 0.04 -1.26 -4.94 135.00 134.14 2c9t s PRO 86 Ca 0.03 1.44 -0.05 0.00 0.04 0.00 0.00 61.00 62.47 2c9t s PRO 86 Cb -0.09 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.44 2c9t s PRO 86 CO 0.03 -0.60 2.72 -0.40 0.04 0.00 0.00 177.00 178.79 2c9t n ASP 87 N -1.14 6.89 -4.66 6.66 5.75 -1.26 -4.94 116.55 123.85 2c9t n ASP 87 Ca 0.10 -3.13 -0.43 0.00 -0.01 0.00 0.00 54.79 51.32 2c9t n ASP 87 Cb 0.52 -1.29 -0.02 0.00 -1.03 0.00 0.00 41.12 39.30 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 -1.64 4.59 0.01 2.12 -1.09 -1.26 -2.77 121.20 121.17 2c9t s ILE 88 Ca 0.58 1.93 0.04 0.00 -2.23 0.00 0.00 60.65 60.97 2c9t s ILE 88 Cb 0.32 -4.24 -0.02 0.00 -1.58 0.00 0.00 42.46 36.94 2c9t s ILE 88 CO -0.17 -0.17 -0.13 -0.89 -1.23 0.00 0.00 174.94 172.35 2c9t s THR 89 N 3.25 1.05 0.07 2.92 2.01 0.98 -4.90 115.64 121.02 2c9t s THR 89 Ca 0.46 -0.77 -0.31 0.00 0.31 0.00 0.00 61.69 61.39 2c9t s THR 89 Cb -0.17 -0.92 -0.06 0.00 0.01 0.00 0.00 72.50 71.36 2c9t s THR 89 CO 0.08 0.14 1.27 0.00 -0.69 0.00 0.00 174.62 175.42 2c9t s ALA 90 N -0.58 3.47 -0.98 7.40 0.00 -1.26 -1.08 121.76 128.73 2c9t s ALA 90 Ca 0.03 0.92 0.27 0.00 0.00 0.00 0.00 51.96 53.19 2c9t s ALA 90 Cb -0.06 -3.49 0.93 0.00 0.00 0.00 0.00 23.12 20.50 2c9t s ALA 90 CO 0.00 -0.53 1.72 0.66 0.00 0.00 0.00 175.76 177.61 2c9t n TYR 91 N 4.08 0.04 -2.29 0.00 4.01 0.14 -4.05 117.16 119.08 2c9t n TYR 91 Ca 0.10 0.01 0.04 0.00 -0.16 0.00 0.00 57.90 57.90 2c9t n TYR 91 Cb 0.45 -0.42 0.06 0.00 -0.31 0.00 0.00 39.34 39.12 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 -1.54 1.13 -4.58 7.72 3.41 -1.26 -5.01 113.62 113.49 2c9t n SER 92 Ca 0.06 -2.40 -0.38 0.00 -0.26 0.00 0.00 58.87 55.89 2c9t n SER 92 Cb 0.34 -0.35 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 2c9t n SER 92 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2c9t n SER 93 N 0.13 0.28 0.00 4.04 3.41 -1.26 -1.42 113.62 118.81 2c9t n SER 93 Ca 0.09 0.78 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 2c9t n SER 93 Cb 1.04 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 2c9t n SER 93 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2c9t n THR 94 N -1.76 0.00 -3.98 6.66 -2.24 -0.40 -4.81 114.28 107.74 2c9t n THR 94 Ca 0.13 -0.49 -0.08 0.00 -2.27 0.00 0.00 64.05 61.34 2c9t n THR 94 Cb 0.48 0.99 -0.09 0.00 -2.10 0.00 0.00 70.33 69.61 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 -1.00 0.66 0.25 -0.78 0.52 -1.25 -5.06 118.95 112.29 2c9t s ARG 95 Ca 0.00 -1.00 -0.31 0.00 -0.52 0.00 0.00 55.73 53.90 2c9t s ARG 95 Cb 0.00 0.25 -0.13 0.00 0.52 0.00 0.00 34.95 35.59 2c9t s ARG 95 CO 0.00 -0.16 1.43 -2.30 0.02 0.00 0.00 175.30 174.29 2c9t n PRO 96 N 0.29 2.14 -1.63 3.54 -0.02 -1.26 -4.71 135.00 133.35 2c9t n PRO 96 Ca -0.16 0.76 -0.45 0.00 -2.02 0.00 0.00 63.50 61.63 2c9t n PRO 96 Cb 0.61 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 2c9t n PRO 96 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2c9t n VAL 97 N 1.84 1.36 -4.02 -1.45 0.31 -1.26 -4.87 118.33 110.24 2c9t n VAL 97 Ca 0.11 -0.34 -0.35 0.00 -0.01 0.00 0.00 64.34 63.75 2c9t n VAL 97 Cb 0.33 -1.20 -0.10 0.00 -0.91 0.00 0.00 33.84 31.95 2c9t n VAL 97 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2c9t s GLN 98 N -0.91 3.89 -0.12 5.55 -0.21 -0.64 -4.98 119.66 122.25 2c9t s GLN 98 Ca 0.65 -0.39 -0.16 0.00 0.02 0.00 0.00 55.36 55.49 2c9t s GLN 98 Cb -0.70 -3.20 -0.05 0.00 1.00 0.00 0.00 33.01 30.06 2c9t s GLN 98 CO 0.55 0.20 0.39 0.08 -2.12 0.00 0.00 175.29 174.38 2c9t s VAL 99 N 0.57 5.22 -0.24 1.09 1.01 -1.26 -1.14 120.40 125.65 2c9t s VAL 99 Ca 0.02 0.77 0.06 0.00 0.00 0.00 0.00 61.98 62.83 2c9t s VAL 99 Cb -0.13 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.45 2c9t s VAL 99 CO 0.01 0.39 0.24 0.18 0.00 0.00 0.00 175.10 175.92 2c9t n LEU 100 N 3.37 0.24 -4.47 3.92 4.77 0.46 -4.97 117.00 120.33 2c9t n LEU 100 Ca -0.10 -0.42 -0.23 0.00 -0.03 0.00 0.00 56.01 55.24 2c9t n LEU 100 Cb 0.52 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.50 2c9t n LEU 100 CO 0.41 0.06 -0.33 -0.94 -1.33 0.00 0.00 177.39 175.26 2c9t s SER 101 N -1.77 2.91 0.52 -1.43 1.04 -1.25 -4.91 113.70 108.81 2c9t s SER 101 Ca 0.02 -1.27 -0.20 0.00 0.48 0.00 0.00 55.95 54.98 2c9t s SER 101 Cb 0.05 -0.20 -0.10 0.00 0.10 0.00 0.00 66.02 65.87 2c9t s SER 101 CO 0.25 -0.42 0.58 -2.65 0.98 0.00 0.00 173.24 171.99 2c9t n PRO 102 N -0.69 0.61 -3.49 4.02 -0.02 -1.26 -4.82 135.00 129.36 2c9t n PRO 102 Ca -0.04 0.23 -0.42 0.00 -2.02 0.00 0.00 63.50 61.25 2c9t n PRO 102 Cb 0.65 -1.70 -0.05 0.00 -0.02 0.00 0.00 33.50 32.38 2c9t n PRO 102 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2c9t s GLN 103 N -1.97 3.30 -0.02 -0.52 -1.52 -1.26 -4.84 119.66 112.83 2c9t s GLN 103 Ca 0.67 -2.65 -0.01 0.00 -1.95 0.00 0.00 55.36 51.42 2c9t s GLN 103 Cb -0.49 -4.17 0.01 0.00 -0.22 0.00 0.00 33.01 28.14 2c9t s GLN 103 CO 0.55 -1.25 0.06 0.42 -0.25 0.00 0.00 175.29 174.82 2c9t s ILE 104 N -0.21 -0.02 0.23 1.08 1.01 -1.26 -1.39 121.20 120.64 2c9t s ILE 104 Ca 0.20 0.07 0.12 0.00 0.00 0.00 0.00 60.65 61.03 2c9t s ILE 104 Cb -0.13 -0.10 -0.05 0.00 0.01 0.00 0.00 42.46 42.20 2c9t s ILE 104 CO -0.07 0.03 -0.22 0.00 0.00 0.00 0.00 174.94 174.67 2c9t s ALA 105 N 0.39 2.62 -0.18 9.38 0.00 0.41 -4.56 121.76 129.82 2c9t s ALA 105 Ca -0.03 -1.74 -0.06 0.00 0.00 0.00 0.00 51.96 50.13 2c9t s ALA 105 Cb -0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2c9t s ALA 105 CO -0.01 0.37 0.04 0.08 0.00 0.00 0.00 175.76 176.23 2c9t s VAL 106 N -2.01 4.54 -0.08 0.00 1.01 -0.37 -1.03 120.40 122.46 2c9t s VAL 106 Ca 0.24 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2c9t s VAL 106 Cb -0.07 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 2c9t s VAL 106 CO 0.12 0.46 -0.13 -0.69 0.00 0.00 0.00 175.10 174.86 2c9t s VAL 107 N 0.44 3.17 0.12 2.92 1.01 0.54 -1.51 120.40 127.08 2c9t s VAL 107 Ca 0.01 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.41 2c9t s VAL 107 Cb -0.13 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 2c9t s VAL 107 CO 0.01 0.56 -0.11 -0.89 0.00 0.00 0.00 175.10 174.67 2c9t s THR 108 N -0.32 3.25 0.60 3.92 2.01 -0.58 -0.66 115.64 123.87 2c9t s THR 108 Ca 0.03 -1.38 0.35 0.00 0.31 0.00 0.00 61.69 61.00 2c9t s THR 108 Cb -0.13 -2.54 0.39 0.00 0.01 0.00 0.00 72.50 70.23 2c9t s THR 108 CO 0.02 0.07 2.29 1.12 -0.69 0.00 0.00 174.62 177.43 2c9t h HIS 109 N 3.49 0.00 -0.00 4.92 2.07 -1.24 0.11 115.15 124.50 2c9t h HIS 109 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 2c9t h HIS 109 Cb 1.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.15 2c9t h HIS 109 CO 0.61 0.01 0.00 -0.40 -3.07 0.00 0.00 177.93 175.08 2c9t n ASP 110 N -3.55 0.11 0.00 3.10 5.75 -1.26 -1.09 116.55 119.60 2c9t n ASP 110 Ca -0.03 -1.13 0.00 0.00 -0.01 0.00 0.00 54.79 53.62 2c9t n ASP 110 Cb 0.09 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 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 0.97 0.87 3.77 6.12 0.00 0.37 -4.66 105.19 112.62 2c9t n GLY 111 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 2c9t n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c9t s SER 112 N -2.17 7.50 -0.01 1.61 0.01 -1.23 0.32 113.70 119.72 2c9t s SER 112 Ca 0.00 1.82 0.08 0.00 1.31 0.00 0.00 55.95 59.16 2c9t s SER 112 Cb 0.00 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 2c9t s SER 112 CO 0.00 0.13 -0.26 -0.69 0.41 0.00 0.00 173.24 172.84 2c9t s VAL 113 N -1.25 2.03 -0.11 3.43 1.01 0.36 -1.52 120.40 124.35 2c9t s VAL 113 Ca 0.41 -1.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 2c9t s VAL 113 Cb -0.24 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.48 2c9t s VAL 113 CO 0.28 0.55 -0.08 -0.32 0.00 0.00 0.00 175.10 175.54 2c9t s MET 114 N -0.67 1.51 -0.07 2.72 1.75 -0.57 -2.31 119.30 121.67 2c9t s MET 114 Ca 0.10 -0.25 0.00 0.00 -1.25 0.00 0.00 55.69 54.29 2c9t s MET 114 Cb -0.10 -1.57 0.02 0.00 2.84 0.00 0.00 34.83 36.03 2c9t s MET 114 CO -0.01 -0.26 -0.05 0.12 -0.65 0.00 0.00 175.02 174.18 2c9t s PHE 115 N 1.67 0.98 -0.51 4.11 5.36 -0.18 -1.23 117.98 128.18 2c9t s PHE 115 Ca 0.04 -0.35 0.06 0.00 -0.96 0.00 0.00 56.93 55.72 2c9t s PHE 115 Cb -0.13 -0.87 0.22 0.00 -0.34 0.00 0.00 43.02 41.90 2c9t s PHE 115 CO -0.08 -0.30 0.54 -0.89 -1.46 0.00 0.00 175.22 173.03 2c9t n ILE 116 N 4.45 0.34 -2.40 3.12 2.08 -1.26 -0.36 119.36 125.33 2c9t n ILE 116 Ca -0.18 -4.33 -0.40 0.00 0.56 0.00 0.00 62.75 58.41 2c9t n ILE 116 Cb 0.51 -1.96 -0.04 0.00 -0.75 0.00 0.00 39.64 37.40 2c9t n ILE 116 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2c9t s PRO 117 N -1.29 4.47 0.10 0.38 0.04 -1.21 -4.74 135.00 132.74 2c9t s PRO 117 Ca 0.34 1.85 -0.30 0.00 0.04 0.00 0.00 61.00 62.93 2c9t s PRO 117 Cb 0.10 -3.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.55 2c9t s PRO 117 CO -0.11 0.04 0.99 0.00 0.04 0.00 0.00 177.00 177.95 2c9t s ALA 118 N -1.24 3.25 0.04 8.56 0.00 -1.26 -1.66 121.76 129.44 2c9t s ALA 118 Ca 0.48 0.60 0.02 0.00 0.00 0.00 0.00 51.96 53.07 2c9t s ALA 118 Cb -0.32 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 2c9t s ALA 118 CO 0.41 -0.10 -0.08 -0.65 0.00 0.00 0.00 175.76 175.35 2c9t s GLN 119 N 0.18 0.55 -0.21 0.00 -0.21 0.18 -0.40 119.66 119.75 2c9t s GLN 119 Ca 0.49 -0.68 -0.03 0.00 0.02 0.00 0.00 55.36 55.15 2c9t s GLN 119 Cb -0.24 -0.37 -0.00 0.00 1.00 0.00 0.00 33.01 33.40 2c9t s GLN 119 CO 0.30 0.07 -0.07 0.50 -2.12 0.00 0.00 175.29 173.97 2c9t s ARG 120 N -1.35 3.32 -0.15 2.91 3.52 -0.29 -1.69 118.95 125.23 2c9t s ARG 120 Ca -0.07 -0.66 -0.01 0.00 -0.13 0.00 0.00 55.73 54.86 2c9t s ARG 120 Cb -0.09 -2.92 -0.01 0.00 -1.56 0.00 0.00 34.95 30.37 2c9t s ARG 120 CO 0.00 -0.17 -0.11 -1.17 -0.81 0.00 0.00 175.30 173.04 2c9t s LEU 121 N 1.38 2.74 -0.22 -0.88 2.96 -0.53 -1.61 118.68 122.52 2c9t s LEU 121 Ca 0.05 -0.34 -0.15 0.00 -0.22 0.00 0.00 54.13 53.46 2c9t s LEU 121 Cb -0.14 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 2c9t s LEU 121 CO -0.04 0.12 0.36 -0.44 -1.32 0.00 0.00 176.35 175.04 2c9t s SER 122 N 0.59 6.35 0.13 3.68 0.01 -1.26 -0.52 113.70 122.69 2c9t s SER 122 Ca -0.07 0.41 0.02 0.00 1.31 0.00 0.00 55.95 57.62 2c9t s SER 122 Cb -0.15 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 2c9t s SER 122 CO 0.03 -0.09 -0.04 0.72 0.41 0.00 0.00 173.24 174.27 2c9t s PHE 123 N 1.48 1.07 -0.29 2.43 -0.12 -0.72 -1.28 117.98 120.56 2c9t s PHE 123 Ca 0.17 -0.93 -0.28 0.00 -0.05 0.00 0.00 56.93 55.83 2c9t s PHE 123 Cb -0.15 -0.60 -0.03 0.00 -0.63 0.00 0.00 43.02 41.61 2c9t s PHE 123 CO 0.08 -0.14 1.94 -1.64 -0.05 0.00 0.00 175.22 175.41 2c9t s MET 124 N -3.85 3.28 -0.21 1.99 -1.94 -0.51 -1.31 119.30 116.75 2c9t s MET 124 Ca 0.17 1.64 -0.07 0.00 -1.71 0.00 0.00 55.69 55.72 2c9t s MET 124 Cb 0.05 -4.25 0.09 0.00 2.01 0.00 0.00 34.83 32.73 2c9t s MET 124 CO -0.01 -1.93 0.44 0.00 -0.01 0.00 0.00 175.02 173.51 2c9t s ASP 126 N 2.64 6.60 -0.02 0.00 -1.08 -1.26 -3.32 116.67 120.22 2c9t s ASP 126 Ca -0.02 0.54 0.09 0.00 -0.52 0.00 0.00 52.55 52.64 2c9t s ASP 126 Cb -0.12 -2.55 0.28 0.00 -1.46 0.00 0.00 42.92 39.08 2c9t s ASP 126 CO -0.13 -1.27 1.18 -0.81 0.52 0.00 0.00 175.17 174.66 2c9t n PRO 127 N 7.85 1.89 -1.68 4.34 -0.04 -1.26 -4.91 135.00 141.18 2c9t n PRO 127 Ca 0.13 -1.14 -0.46 0.00 -0.04 0.00 0.00 63.50 61.98 2c9t n PRO 127 Cb 0.49 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.55 2c9t n PRO 127 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2c9t n THR 128 N 0.37 0.35 -0.22 0.52 -1.04 -1.26 -2.05 114.28 110.95 2c9t n THR 128 Ca 0.10 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2c9t n THR 128 Cb 0.33 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.01 2c9t n THR 128 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2c9t n GLY 129 N 4.05 0.72 0.30 3.41 0.00 -1.26 -4.80 105.19 107.61 2c9t n GLY 129 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.23 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 1.17 0.00 1.61 3.04 -1.60 -2.90 116.25 117.56 2c9t h VAL 130 Ca 0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 2c9t h VAL 130 Cb 0.00 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 29.94 2c9t h VAL 130 CO 0.00 0.20 0.00 -0.90 -1.01 0.00 0.00 177.57 175.86 2c9t n ASP 131 N -4.37 0.00 -4.94 3.17 5.75 -1.26 -1.09 116.55 113.82 2c9t n ASP 131 Ca 0.03 -1.78 -0.26 0.00 -0.01 0.00 0.00 54.79 52.78 2c9t n ASP 131 Cb 0.15 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.25 2c9t n ASP 131 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2c9t n SER 132 N -0.57 2.69 0.10 -1.12 3.41 -1.10 -4.92 113.62 112.12 2c9t n SER 132 Ca 0.03 -2.88 -0.05 0.00 -0.26 0.00 0.00 58.87 55.72 2c9t n SER 132 Cb 0.01 -0.12 0.06 0.00 -0.26 0.00 0.00 64.21 63.90 2c9t n SER 132 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2c9t h GLU 133 N 0.00 0.06 0.00 4.33 5.08 -1.88 -3.27 114.58 118.91 2c9t h GLU 133 Ca -0.34 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 57.82 2c9t h GLU 133 Cb 1.30 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 2c9t h GLU 133 CO 0.53 0.80 -0.65 1.05 -1.00 0.00 0.00 179.01 179.74 2c9t h GLU 134 N 0.04 0.00 0.00 2.33 9.09 -1.94 -3.50 114.58 120.60 2c9t h GLU 134 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.39 2c9t h GLU 134 Cb 1.35 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.45 2c9t h GLU 134 CO 0.11 0.65 0.00 0.41 0.05 0.00 0.00 179.01 180.22 2c9t n GLY 135 N 1.04 -1.74 3.02 1.06 0.00 -1.21 -4.86 105.19 102.50 2c9t n GLY 135 Ca 0.01 -1.39 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 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 0.37 -0.20 1.61 0.11 0.34 -4.32 120.40 118.32 2c9t s VAL 136 Ca 0.00 -0.93 -0.08 0.00 -2.93 0.00 0.00 61.98 58.05 2c9t s VAL 136 Cb 0.00 -0.45 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 2c9t s VAL 136 CO 0.00 -0.37 0.07 -0.89 -3.33 0.00 0.00 175.10 170.58 2c9t s THR 137 N -1.27 4.79 0.13 5.04 2.01 -1.26 -0.71 115.64 124.37 2c9t s THR 137 Ca -0.11 -0.03 0.05 0.00 0.31 0.00 0.00 61.69 61.91 2c9t s THR 137 Cb -0.09 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 2c9t s THR 137 CO -0.00 0.43 -0.12 0.00 -0.69 0.00 0.00 174.62 174.24 2c9t s ALA 139 N -2.77 -0.57 -0.05 0.00 0.00 -1.26 0.74 121.76 117.85 2c9t s ALA 139 Ca 0.12 0.57 -0.02 0.00 0.00 0.00 0.00 51.96 52.63 2c9t s ALA 139 Cb -0.01 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.83 2c9t s ALA 139 CO 0.02 -0.13 0.11 0.54 0.00 0.00 0.00 175.76 176.29 2c9t s VAL 140 N -0.10 -0.08 0.14 0.00 0.11 -0.46 -4.91 120.40 115.09 2c9t s VAL 140 Ca -0.02 0.23 -0.21 0.00 -2.93 0.00 0.00 61.98 59.05 2c9t s VAL 140 Cb -0.02 -0.19 -0.07 0.00 -1.53 0.00 0.00 36.38 34.56 2c9t s VAL 140 CO 0.01 0.09 0.67 -0.54 -3.33 0.00 0.00 175.10 172.00 2c9t s LYS 141 N 1.34 4.32 -0.02 1.54 1.02 -1.26 -0.96 119.74 125.72 2c9t s LYS 141 Ca -0.07 0.89 0.07 0.00 0.02 0.00 0.00 55.97 56.88 2c9t s LYS 141 Cb -0.12 -3.15 -0.02 0.00 -0.52 0.00 0.00 37.83 34.02 2c9t s LYS 141 CO -0.05 0.55 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.66 2c9t s PHE 142 N -1.23 2.48 0.04 3.18 0.08 0.36 0.23 117.98 123.12 2c9t s PHE 142 Ca 0.35 -0.32 -0.27 0.00 0.12 0.00 0.00 56.93 56.80 2c9t s PHE 142 Cb -0.20 -1.53 0.10 0.00 -0.57 0.00 0.00 43.02 40.82 2c9t s PHE 142 CO 0.22 0.08 1.20 0.20 -0.10 0.00 0.00 175.22 176.82 2c9t s GLY 143 N -0.80 -0.20 0.74 4.36 0.00 -0.24 -0.92 107.32 110.26 2c9t s GLY 143 Ca 0.11 0.23 -0.15 0.00 0.00 0.00 0.00 44.72 44.91 2c9t s GLY 143 CO 0.00 2.15 1.11 -1.26 0.00 0.00 0.00 173.10 175.11 2c9t n SER 144 N -0.80 0.97 -0.04 1.64 2.88 -1.26 -0.01 113.62 117.00 2c9t n SER 144 Ca -0.04 0.66 -0.09 0.00 -1.33 0.00 0.00 58.87 58.08 2c9t n SER 144 Cb 0.61 -1.47 -0.14 0.00 -0.75 0.00 0.00 64.21 62.45 2c9t n SER 144 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 2c9t n TRP 145 N -2.70 0.82 -0.04 0.66 -0.00 -1.11 -4.68 117.44 110.38 2c9t n TRP 145 Ca 0.14 0.29 0.00 0.00 -0.00 0.00 0.00 57.50 57.93 2c9t n TRP 145 Cb 0.50 -1.15 0.00 0.00 -0.00 0.00 0.00 31.31 30.65 2c9t n TRP 145 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 2c9t n VAL 146 N -3.00 0.00 -3.98 5.87 0.24 -1.26 -5.05 118.33 111.15 2c9t n VAL 146 Ca -0.20 -0.30 -0.35 0.00 -2.04 0.00 0.00 64.34 61.45 2c9t n VAL 146 Cb 1.07 1.04 -0.10 0.00 -1.47 0.00 0.00 33.84 34.38 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 -0.54 3.22 1.20 6.34 2.02 -1.26 -5.11 117.35 123.21 2c9t s TYR 147 Ca 0.00 -0.01 -0.18 0.00 -0.37 0.00 0.00 57.07 56.51 2c9t s TYR 147 Cb 0.00 -2.11 0.28 0.00 -0.40 0.00 0.00 41.96 39.74 2c9t s TYR 147 CO 0.00 0.07 1.08 -1.54 -1.57 0.00 0.00 175.55 173.59 2c9t s SER 148 N 0.59 0.95 0.00 2.29 1.04 -1.26 -4.71 113.70 112.60 2c9t s SER 148 Ca 0.03 0.77 0.26 0.00 0.48 0.00 0.00 55.95 57.49 2c9t s SER 148 Cb -0.13 -1.11 1.44 0.00 0.10 0.00 0.00 66.02 66.31 2c9t s SER 148 CO 0.01 -4.12 1.91 0.61 0.98 0.00 0.00 173.24 172.63 2c9t n GLY 149 N -0.66 -1.00 0.16 7.32 0.00 0.11 -1.43 105.19 109.70 2c9t n GLY 149 Ca 0.11 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.13 2c9t n GLY 149 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2c9t n PHE 150 N -1.15 0.00 -0.01 1.61 3.72 -1.26 -4.09 117.46 116.27 2c9t n PHE 150 Ca 0.16 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.53 2c9t n PHE 150 Cb 0.15 -0.16 -0.01 0.00 -0.94 0.00 0.00 39.48 38.52 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 -0.85 0.05 -4.06 -1.08 1.02 -0.87 -4.12 120.64 110.73 2c9t n GLU 151 Ca 0.14 0.02 -0.32 0.00 -0.02 0.00 0.00 57.16 56.98 2c9t n GLU 151 Cb 0.30 -0.67 -0.15 0.00 -0.02 0.00 0.00 31.44 30.91 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 2.14 -0.28 -3.67 1.01 -0.51 -0.98 121.20 116.86 2c9t s ILE 152 Ca -0.04 -1.61 -0.26 0.00 0.00 0.00 0.00 60.65 58.75 2c9t s ILE 152 Cb 0.01 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 40.24 2c9t s ILE 152 CO 0.05 -0.02 0.89 -0.62 0.00 0.00 0.00 174.94 175.23 2c9t s ASP 153 N 1.12 6.82 -0.06 3.58 2.15 0.28 -3.96 116.67 126.61 2c9t s ASP 153 Ca -0.09 0.94 -0.13 0.00 0.43 0.00 0.00 52.55 53.70 2c9t s ASP 153 Cb -0.20 -2.46 -0.05 0.00 -0.30 0.00 0.00 42.92 39.91 2c9t s ASP 153 CO -0.05 -0.65 0.35 -0.76 -0.17 0.00 0.00 175.17 173.89 2c9t s LEU 154 N 3.10 4.41 0.18 -1.34 1.43 -1.26 -0.44 118.68 124.77 2c9t s LEU 154 Ca 0.37 0.79 -0.08 0.00 -1.03 0.00 0.00 54.13 54.18 2c9t s LEU 154 Cb -0.14 -2.47 -0.01 0.00 0.03 0.00 0.00 46.19 43.60 2c9t s LEU 154 CO 0.11 0.28 0.29 -1.59 0.23 0.00 0.00 176.35 175.67 2c9t s LYS 155 N -0.69 1.22 0.24 1.70 0.00 -0.46 -4.94 119.74 116.81 2c9t s LYS 155 Ca 0.21 -1.26 0.08 0.00 0.00 0.00 0.00 55.97 55.01 2c9t s LYS 155 Cb -0.15 0.37 -0.04 0.00 0.00 0.00 0.00 37.83 38.01 2c9t s LYS 155 CO 0.10 -0.45 0.05 0.95 0.00 0.00 0.00 175.35 175.99 2c9t s THR 156 N -4.00 3.76 -0.25 3.79 -4.23 -1.26 -0.14 115.64 113.31 2c9t s THR 156 Ca 0.21 -1.68 0.22 0.00 -1.18 0.00 0.00 61.69 59.27 2c9t s THR 156 Cb 0.03 -2.99 0.02 0.00 1.34 0.00 0.00 72.50 70.90 2c9t s THR 156 CO 0.03 -0.31 1.08 0.44 -0.54 0.00 0.00 174.62 175.32 2c9t h ASP 157 N 1.97 0.00 -5.00 3.99 3.32 -1.97 -3.48 116.42 115.26 2c9t h ASP 157 Ca -0.46 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.54 2c9t h ASP 157 Cb 1.24 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.61 2c9t h ASP 157 CO 0.60 0.00 0.18 0.28 -1.72 0.00 0.00 179.24 178.58 2c9t s THR 158 N -3.35 0.00 -2.33 0.35 -1.32 -1.26 -5.04 115.64 102.69 2c9t s THR 158 Ca -0.00 -0.02 0.24 0.00 -1.21 0.00 0.00 61.69 60.70 2c9t s THR 158 Cb 0.09 -0.99 0.52 0.00 -1.51 0.00 0.00 72.50 70.61 2c9t s THR 158 CO 0.78 -0.01 1.67 0.47 -2.21 0.00 0.00 174.62 175.32 2c9t n ASP 159 N 0.66 1.41 -4.61 8.08 8.00 -1.26 -4.81 116.55 124.03 2c9t n ASP 159 Ca -0.19 -1.57 -0.41 0.00 0.71 0.00 0.00 54.79 53.33 2c9t n ASP 159 Cb 0.59 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.57 2c9t n ASP 159 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2c9t s GLN 160 N -1.89 3.97 0.26 -1.24 2.00 -1.26 -1.19 119.66 120.31 2c9t s GLN 160 Ca 0.35 0.42 -0.30 0.00 -2.00 0.00 0.00 55.36 53.84 2c9t s GLN 160 Cb 0.19 -3.71 -0.10 0.00 0.80 0.00 0.00 33.01 30.19 2c9t s GLN 160 CO 0.29 -0.55 1.39 0.08 -0.50 0.00 0.00 175.29 176.00 2c9t s VAL 161 N 2.65 2.74 -0.17 1.34 1.01 -1.10 -4.86 120.40 122.01 2c9t s VAL 161 Ca 0.27 0.65 -0.29 0.00 0.00 0.00 0.00 61.98 62.60 2c9t s VAL 161 Cb -0.15 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 2c9t s VAL 161 CO 0.11 0.11 1.14 -0.62 0.00 0.00 0.00 175.10 175.84 2c9t s ASP 162 N 0.17 7.05 -0.01 3.32 -1.08 -0.62 -4.90 116.67 120.61 2c9t s ASP 162 Ca 0.57 1.57 0.09 0.00 -0.52 0.00 0.00 52.55 54.26 2c9t s ASP 162 Cb -0.41 -2.54 0.27 0.00 -1.46 0.00 0.00 42.92 38.78 2c9t s ASP 162 CO 0.45 -0.67 1.22 0.18 0.52 0.00 0.00 175.17 176.87 2c9t n LEU 163 N 6.12 2.82 0.23 -1.34 4.77 -1.26 -1.47 117.00 126.86 2c9t n LEU 163 Ca 0.12 -2.04 0.07 0.00 -0.03 0.00 0.00 56.01 54.13 2c9t n LEU 163 Cb 0.46 -0.21 0.54 0.00 -2.33 0.00 0.00 43.42 41.89 2c9t n LEU 163 CO 0.54 0.69 0.89 0.77 -1.33 0.00 0.00 177.39 178.95 2c9t h SER 164 N 1.70 0.00 -0.61 -1.43 4.64 -1.90 -2.13 113.55 113.82 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 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2c9t h SER 164 CO 0.01 0.20 0.00 -1.20 -0.87 0.00 0.00 176.83 174.97 2c9t n SER 165 N -4.07 3.94 -4.71 4.97 7.64 -1.26 -5.01 113.62 115.11 2c9t n SER 165 Ca -0.02 -2.15 -0.43 0.00 1.01 0.00 0.00 58.87 57.28 2c9t n SER 165 Cb 0.27 -0.46 -0.03 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 1.19 2.69 -1.67 1.43 9.36 -0.80 -4.66 117.16 124.70 2c9t n TYR 166 Ca 0.22 0.12 -0.44 0.00 3.32 0.00 0.00 57.90 61.12 2c9t n TYR 166 Cb 0.66 -2.64 -0.04 0.00 -0.63 0.00 0.00 39.34 36.70 2c9t n TYR 166 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 2c9t n TYR 167 N 3.50 2.45 0.24 2.98 9.36 0.97 -4.87 117.16 131.80 2c9t n TYR 167 Ca 0.15 -0.24 0.12 0.00 3.32 0.00 0.00 57.90 61.25 2c9t n TYR 167 Cb 0.34 -2.75 0.53 0.00 -0.63 0.00 0.00 39.34 36.83 2c9t n TYR 167 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2c9t h ALA 168 N 10.04 1.03 -0.48 2.98 0.00 -1.90 -2.89 119.26 128.03 2c9t h ALA 168 Ca -0.49 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.07 2c9t h ALA 168 Cb 1.25 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.89 2c9t h ALA 168 CO 0.94 0.20 0.10 0.43 0.00 0.00 0.00 179.25 180.92 2c9t n SER 169 N -3.33 3.23 -4.70 0.00 7.64 -1.26 -5.03 113.62 110.17 2c9t n SER 169 Ca 0.00 -3.53 -0.33 0.00 1.01 0.00 0.00 58.87 56.02 2c9t n SER 169 Cb 0.39 -0.66 0.13 0.00 -1.01 0.00 0.00 64.21 63.05 2c9t n SER 169 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2c9t s SER 170 N -2.05 3.56 0.56 6.43 0.15 -1.09 -4.91 113.70 116.34 2c9t s SER 170 Ca 0.47 2.32 0.32 0.00 0.70 0.00 0.00 55.95 59.76 2c9t s SER 170 Cb 0.41 -2.58 1.61 0.00 -1.71 0.00 0.00 66.02 63.75 2c9t s SER 170 CO 0.05 -2.69 2.10 0.11 1.20 0.00 0.00 173.24 174.02 2c9t h LYS 171 N -1.02 0.00 -5.45 5.44 1.79 -1.89 -3.44 116.57 112.00 2c9t h LYS 171 Ca -0.46 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.36 2c9t h LYS 171 Cb 1.29 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 31.62 2c9t h LYS 171 CO 0.46 0.07 -0.87 0.71 -1.08 0.00 0.00 179.45 178.74 2c9t s TYR 172 N -4.04 2.29 0.11 -1.35 2.02 -1.26 -0.38 117.35 114.74 2c9t s TYR 172 Ca -0.02 -0.82 -0.04 0.00 -0.37 0.00 0.00 57.07 55.82 2c9t s TYR 172 Cb 0.12 -1.53 -0.05 0.00 -0.40 0.00 0.00 41.96 40.10 2c9t s TYR 172 CO 0.54 -0.31 0.33 -1.83 -1.57 0.00 0.00 175.55 172.71 2c9t s GLU 173 N 0.18 3.59 -0.21 -0.62 -1.05 0.12 -4.82 118.70 115.88 2c9t s GLU 173 Ca -0.12 -0.14 -0.18 0.00 -0.15 0.00 0.00 54.97 54.38 2c9t s GLU 173 Cb -0.16 -2.92 -0.03 0.00 -0.44 0.00 0.00 34.13 30.58 2c9t s GLU 173 CO 0.06 0.52 0.50 0.42 0.95 0.00 0.00 175.26 177.72 2c9t s ILE 174 N -1.57 5.11 -0.14 1.83 -1.09 -1.26 -2.06 121.20 122.02 2c9t s ILE 174 Ca 0.38 0.91 -0.10 0.00 -2.23 0.00 0.00 60.65 59.61 2c9t s ILE 174 Cb -0.13 -3.83 -0.25 0.00 -1.58 0.00 0.00 42.46 36.68 2c9t s ILE 174 CO 0.24 0.17 0.34 0.18 -1.23 0.00 0.00 174.94 174.64 2c9t n LEU 175 N 4.87 2.46 -3.52 2.97 4.77 0.12 -4.97 117.00 123.70 2c9t n LEU 175 Ca -0.05 0.26 -0.17 0.00 -0.03 0.00 0.00 56.01 56.02 2c9t n LEU 175 Cb 0.50 -1.09 -0.06 0.00 -2.33 0.00 0.00 43.42 40.44 2c9t n LEU 175 CO 0.41 0.73 0.42 -0.94 -1.33 0.00 0.00 177.39 176.68 2c9t s SER 176 N -7.02 -0.63 -0.09 -1.43 1.04 -1.03 -4.97 113.70 99.57 2c9t s SER 176 Ca -0.24 0.60 -0.03 0.00 0.48 0.00 0.00 55.95 56.77 2c9t s SER 176 Cb 0.06 0.54 0.04 0.00 0.10 0.00 0.00 66.02 66.76 2c9t s SER 176 CO 0.73 -0.65 0.06 0.00 0.98 0.00 0.00 173.24 174.36 2c9t s ALA 177 N -1.53 0.40 0.20 5.32 0.00 -1.26 -0.47 121.76 124.42 2c9t s ALA 177 Ca -0.10 -0.06 0.05 0.00 0.00 0.00 0.00 51.96 51.86 2c9t s ALA 177 Cb -0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 2c9t s ALA 177 CO 0.07 -0.74 -0.08 0.95 0.00 0.00 0.00 175.76 175.96 2c9t s THR 178 N 2.12 1.29 -0.21 0.00 -4.23 -0.50 -2.73 115.64 111.38 2c9t s THR 178 Ca 0.04 -2.09 -0.04 0.00 -1.18 0.00 0.00 61.69 58.42 2c9t s THR 178 Cb -0.14 -2.10 0.07 0.00 1.34 0.00 0.00 72.50 71.68 2c9t s THR 178 CO -0.05 -0.54 0.08 0.00 -0.54 0.00 0.00 174.62 173.56 2c9t s GLN 179 N -3.76 0.38 -0.09 3.99 -2.07 -0.33 -1.01 119.66 116.78 2c9t s GLN 179 Ca 0.23 -0.39 0.01 0.00 -1.82 0.00 0.00 55.36 53.39 2c9t s GLN 179 Cb 0.03 -1.85 0.02 0.00 -1.09 0.00 0.00 33.01 30.12 2c9t s GLN 179 CO 0.05 -0.75 -0.11 0.95 -1.32 0.00 0.00 175.29 174.12 2c9t s THR 180 N 1.97 1.11 0.21 3.63 -4.23 -0.55 -4.22 115.64 113.56 2c9t s THR 180 Ca 0.03 -0.42 -0.31 0.00 -1.18 0.00 0.00 61.69 59.81 2c9t s THR 180 Cb -0.17 -1.06 -0.11 0.00 1.34 0.00 0.00 72.50 72.51 2c9t s THR 180 CO -0.15 0.36 1.57 -0.60 -0.54 0.00 0.00 174.62 175.27 2c9t s ARG 181 N 1.08 4.20 0.01 3.99 3.52 -1.26 -1.41 118.95 129.08 2c9t s ARG 181 Ca -0.07 2.42 0.08 0.00 -0.13 0.00 0.00 55.73 58.03 2c9t s ARG 181 Cb -0.14 -3.11 -0.03 0.00 -1.56 0.00 0.00 34.95 30.11 2c9t s ARG 181 CO -0.01 -0.60 -0.25 -0.65 -0.81 0.00 0.00 175.30 172.99 2c9t s GLN 182 N 0.61 2.00 -0.16 5.12 -0.21 0.54 -4.95 119.66 122.60 2c9t s GLN 182 Ca 0.68 -1.00 0.01 0.00 0.02 0.00 0.00 55.36 55.07 2c9t s GLN 182 Cb -0.45 -2.05 0.01 0.00 1.00 0.00 0.00 33.01 31.52 2c9t s GLN 182 CO 0.36 0.54 -0.18 0.08 -2.12 0.00 0.00 175.29 173.97 2c9t s VAL 183 N -0.73 2.36 -0.11 1.09 1.01 -1.26 -1.99 120.40 120.76 2c9t s VAL 183 Ca 0.11 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 2c9t s VAL 183 Cb -0.10 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 2c9t s VAL 183 CO 0.01 0.53 0.03 -1.10 0.00 0.00 0.00 175.10 174.57 2c9t s GLN 184 N 1.00 3.28 -0.07 2.72 -0.21 0.10 -4.95 119.66 121.54 2c9t s GLN 184 Ca -0.02 -0.36 0.02 0.00 0.02 0.00 0.00 55.36 55.02 2c9t s GLN 184 Cb -0.15 -2.94 -0.03 0.00 1.00 0.00 0.00 33.01 30.90 2c9t s GLN 184 CO -0.05 0.61 -0.09 -1.01 -2.12 0.00 0.00 175.29 172.63 2c9t s HIS 185 N -0.60 2.86 -0.01 0.91 3.76 -1.26 -0.25 115.29 120.69 2c9t s HIS 185 Ca 0.10 -0.06 0.02 0.00 -0.15 0.00 0.00 55.06 54.97 2c9t s HIS 185 Cb -0.12 -1.69 -0.03 0.00 1.11 0.00 0.00 32.58 31.84 2c9t s HIS 185 CO 0.02 0.26 -0.03 0.71 -0.85 0.00 0.00 174.74 174.86 2c9t s TYR 186 N -0.73 3.01 0.51 1.40 2.02 -1.26 -4.99 117.35 117.31 2c9t s TYR 186 Ca 0.11 0.05 0.40 0.00 -0.37 0.00 0.00 57.07 57.26 2c9t s TYR 186 Cb -0.11 -1.66 2.10 0.00 -0.40 0.00 0.00 41.96 41.89 2c9t s TYR 186 CO 0.01 0.43 2.26 0.66 -1.57 0.00 0.00 175.55 177.34 2c9t h SER 187 N 4.51 0.00 1.05 2.29 4.64 -1.99 -1.58 113.55 122.47 2c9t h SER 187 Ca -0.49 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.64 2c9t h SER 187 Cb 1.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 2c9t h SER 187 CO 0.56 0.01 -0.92 0.00 -0.87 0.00 0.00 176.83 175.60 2c9t n PRO 190 N 3.16 0.23 -2.93 0.00 -0.04 -1.26 -4.49 135.00 129.67 2c9t n PRO 190 Ca -0.17 0.35 -0.40 0.00 -0.04 0.00 0.00 63.50 63.24 2c9t n PRO 190 Cb 0.55 -1.86 -0.06 0.00 -0.04 0.00 0.00 33.50 32.09 2c9t n PRO 190 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2c9t s GLU 191 N -3.24 4.61 0.40 0.54 1.03 -1.26 -5.03 118.70 115.75 2c9t s GLU 191 Ca 0.07 1.21 -0.23 0.00 0.03 0.00 0.00 54.97 56.05 2c9t s GLU 191 Cb 0.10 -3.29 -0.10 0.00 -0.80 0.00 0.00 34.13 30.05 2c9t s GLU 191 CO 0.48 0.50 0.98 -1.25 -1.33 0.00 0.00 175.26 174.64 2c9t s PRO 192 N -0.91 4.26 -0.23 -4.83 0.04 -1.26 -4.64 135.00 127.43 2c9t s PRO 192 Ca 0.38 1.28 -0.02 0.00 0.04 0.00 0.00 61.00 62.68 2c9t s PRO 192 Cb -0.23 -2.41 0.01 0.00 0.04 0.00 0.00 34.50 31.91 2c9t s PRO 192 CO 0.27 -0.02 -0.07 0.71 0.04 0.00 0.00 177.00 177.93 2c9t s TYR 193 N -1.90 2.98 -0.09 0.56 2.02 0.65 0.05 117.35 121.62 2c9t s TYR 193 Ca 0.59 -1.30 0.03 0.00 -0.37 0.00 0.00 57.07 56.01 2c9t s TYR 193 Cb -0.15 -2.06 -0.02 0.00 -0.40 0.00 0.00 41.96 39.33 2c9t s TYR 193 CO 0.20 -0.67 -0.17 0.42 -1.57 0.00 0.00 175.55 173.76 2c9t s ILE 194 N 1.39 2.75 0.17 2.71 1.01 -1.26 0.03 121.20 128.00 2c9t s ILE 194 Ca 0.03 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 59.88 2c9t s ILE 194 Cb -0.15 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 2c9t s ILE 194 CO -0.05 0.56 0.06 1.51 0.00 0.00 0.00 174.94 177.02 2c9t s ASP 195 N -0.06 0.58 -0.17 3.58 1.47 -0.84 -4.65 116.67 116.58 2c9t s ASP 195 Ca -0.04 -1.26 -0.03 0.00 1.18 0.00 0.00 52.55 52.40 2c9t s ASP 195 Cb -0.14 0.26 -0.02 0.00 -0.34 0.00 0.00 42.92 42.68 2c9t s ASP 195 CO 0.04 -0.72 -0.06 -0.69 0.68 0.00 0.00 175.17 174.42 2c9t s VAL 196 N -3.95 3.52 -0.31 2.11 1.01 -0.09 -0.34 120.40 122.35 2c9t s VAL 196 Ca 0.29 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.67 2c9t s VAL 196 Cb 0.07 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 2c9t s VAL 196 CO 0.06 0.48 0.22 0.21 0.00 0.00 0.00 175.10 176.07 2c9t s ASN 197 N 0.70 6.05 -0.41 3.32 2.47 -0.50 -0.49 114.94 126.08 2c9t s ASN 197 Ca -0.03 -0.18 -0.18 0.00 0.42 0.00 0.00 52.86 52.88 2c9t s ASN 197 Cb -0.15 -2.13 0.02 0.00 -1.45 0.00 0.00 41.25 37.54 2c9t s ASN 197 CO 0.02 -0.14 0.50 -0.22 -3.72 0.00 0.00 177.10 173.54 2c9t s LEU 198 N 1.76 4.68 -0.17 3.21 2.96 -0.13 -1.48 118.68 129.51 2c9t s LEU 198 Ca 0.07 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.49 2c9t s LEU 198 Cb -0.17 -2.50 -0.01 0.00 0.50 0.00 0.00 46.19 44.02 2c9t s LEU 198 CO 0.11 -0.61 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.72 2c9t s VAL 199 N 2.34 2.92 -0.09 1.68 1.01 -0.18 -1.36 120.40 126.72 2c9t s VAL 199 Ca 0.16 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.47 2c9t s VAL 199 Cb -0.16 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 33.98 2c9t s VAL 199 CO 0.15 0.50 -0.12 -0.69 0.00 0.00 0.00 175.10 174.94 2c9t s VAL 200 N 0.88 1.22 -0.13 2.92 1.01 0.23 -1.40 120.40 125.11 2c9t s VAL 200 Ca -0.03 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 2c9t s VAL 200 Cb -0.15 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 2c9t s VAL 200 CO -0.00 0.38 -0.00 -0.75 0.00 0.00 0.00 175.10 174.73 2c9t s LYS 201 N 1.03 3.48 0.21 2.72 2.20 0.38 0.10 119.74 129.85 2c9t s LYS 201 Ca -0.07 -0.45 -0.17 0.00 -0.36 0.00 0.00 55.97 54.92 2c9t s LYS 201 Cb -0.15 -2.93 0.02 0.00 -1.51 0.00 0.00 37.83 33.27 2c9t s LYS 201 CO -0.01 0.42 0.53 -0.59 -0.36 0.00 0.00 175.35 175.34 2c9t s PHE 202 N -0.09 -0.07 0.17 4.03 -0.12 0.11 -0.71 117.98 121.31 2c9t s PHE 202 Ca 0.04 -0.29 -0.11 0.00 -0.05 0.00 0.00 56.93 56.52 2c9t s PHE 202 Cb -0.13 0.39 -0.00 0.00 -0.63 0.00 0.00 43.02 42.66 2c9t s PHE 202 CO 0.02 -0.95 0.34 -0.98 -0.05 0.00 0.00 175.22 173.60 2c9t s ARG 203 N -3.89 1.21 0.33 1.99 1.70 -0.88 -0.50 118.95 118.91 2c9t s ARG 203 Ca 0.11 -1.11 -0.29 0.00 -0.47 0.00 0.00 55.73 53.98 2c9t s ARG 203 Cb -0.01 0.41 -0.12 0.00 -0.57 0.00 0.00 34.95 34.65 2c9t s ARG 203 CO -0.01 -0.46 1.37 0.39 -1.08 0.00 0.00 175.30 175.52 2c9t n GLU 204 N -0.24 2.29 -0.09 3.89 1.02 -0.25 0.11 120.64 127.37 2c9t n GLU 204 Ca -0.08 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 57.86 2c9t n GLU 204 Cb 0.63 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 2c9t n GLU 204 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20