#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 0.07 -0.55 -1.58 0.00 -2.03 -2.77 119.26 112.40 2c9t h ALA 2 Ca 0.00 -0.67 -0.11 0.00 0.00 0.00 0.00 54.91 54.12 2c9t h ALA 2 Cb 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2c9t h ALA 2 CO 0.00 0.56 -0.10 -0.91 0.00 0.00 0.00 179.25 178.81 2c9t h ASN 3 N 0.17 1.04 -0.49 0.00 2.35 -1.99 -2.58 115.58 114.07 2c9t h ASN 3 Ca -0.13 -0.34 -0.04 0.00 -0.55 0.00 0.00 56.30 55.25 2c9t h ASN 3 Cb 1.62 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.69 2c9t h ASN 3 CO 0.18 1.14 0.16 0.25 -1.65 0.00 0.00 177.43 177.52 2c9t h LEU 4 N 0.93 0.70 -0.62 1.61 5.85 -1.88 -0.49 115.31 121.41 2c9t h LEU 4 Ca 0.15 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.73 2c9t h LEU 4 Cb 0.67 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 2c9t h LEU 4 CO 0.05 0.71 0.32 0.24 -0.34 0.00 0.00 178.44 179.42 2c9t h MET 5 N 0.66 0.58 -0.18 1.25 2.86 -1.41 -1.43 114.93 117.25 2c9t h MET 5 Ca 0.16 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 2c9t h MET 5 Cb 0.25 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 2c9t h MET 5 CO -0.01 0.38 0.09 0.00 1.06 0.00 0.00 176.91 178.43 2c9t h ARG 6 N 0.60 0.26 -0.18 1.72 3.08 -1.21 -1.07 114.38 117.58 2c9t h ARG 6 Ca 0.28 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.32 2c9t h ARG 6 Cb 0.21 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 2c9t h ARG 6 CO -0.20 0.29 0.02 1.25 -1.07 0.00 0.00 179.97 180.26 2c9t h LEU 7 N 0.16 -0.03 -0.61 3.04 5.85 -0.79 -0.22 115.31 122.72 2c9t h LEU 7 Ca 0.06 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2c9t h LEU 7 Cb 0.11 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2c9t h LEU 7 CO -0.01 0.01 0.29 0.11 -0.34 0.00 0.00 178.44 178.50 2c9t h LYS 8 N 0.08 0.88 -0.31 1.25 1.57 -1.24 0.12 116.57 118.93 2c9t h LYS 8 Ca 0.08 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2c9t h LYS 8 Cb 0.09 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 2c9t h LYS 8 CO -0.12 0.71 0.12 1.03 -0.57 0.00 0.00 179.45 180.62 2c9t h SER 9 N 0.84 0.15 -0.51 0.86 0.87 -0.99 -0.15 113.55 114.61 2c9t h SER 9 Ca 0.21 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.84 2c9t h SER 9 Cb 0.12 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 2c9t h SER 9 CO -0.03 0.12 0.27 0.44 -0.53 0.00 0.00 176.83 177.11 2c9t h ASP 10 N 0.26 0.41 0.55 6.23 3.32 -0.80 -0.32 116.42 126.07 2c9t h ASP 10 Ca 0.14 0.02 -0.20 0.00 0.02 0.00 0.00 57.03 57.01 2c9t h ASP 10 Cb 0.10 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2c9t h ASP 10 CO -0.13 0.29 -0.89 -0.07 -1.72 0.00 0.00 179.24 176.71 2c9t h LEU 11 N 0.54 0.29 0.00 1.55 3.38 -0.46 -3.40 115.31 117.22 2c9t h LEU 11 Ca 0.22 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 2c9t h LEU 11 Cb 0.10 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2c9t h LEU 11 CO -0.14 1.04 -1.49 0.49 0.09 0.00 0.00 178.44 178.43 2c9t n PHE 12 N -3.67 0.00 -0.50 1.13 3.72 -0.09 -4.67 117.46 113.38 2c9t n PHE 12 Ca -0.04 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.37 2c9t n PHE 12 Cb 0.81 -0.35 0.28 0.00 -0.94 0.00 0.00 39.48 39.28 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 -2.39 4.44 -0.01 4.37 3.02 -0.14 -4.58 115.26 119.98 2c9t n ASN 13 Ca -0.13 -2.81 -0.01 0.00 -0.03 0.00 0.00 54.58 51.60 2c9t n ASN 13 Cb 0.72 -0.67 -0.01 0.00 -0.61 0.00 0.00 39.78 39.21 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 0.24 0.23 -4.51 3.52 1.74 -1.26 -4.98 116.66 111.65 2c9t n ARG 14 Ca 0.26 0.01 -0.25 0.00 -0.77 0.00 0.00 57.85 57.10 2c9t n ARG 14 Cb 1.06 -1.04 -0.10 0.00 -1.02 0.00 0.00 32.46 31.36 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 -4.12 3.59 0.97 0.55 0.15 -1.26 -5.14 113.70 108.44 2c9t s SER 15 Ca -0.02 -1.16 -0.14 0.00 0.70 0.00 0.00 55.95 55.33 2c9t s SER 15 Cb 0.01 -0.32 0.01 0.00 -1.71 0.00 0.00 66.02 64.01 2c9t s SER 15 CO 0.04 -0.17 0.17 -2.65 1.20 0.00 0.00 173.24 171.83 2c9t n PRO 16 N -0.73 -0.33 -1.53 5.44 -0.02 -1.26 -4.96 135.00 131.61 2c9t n PRO 16 Ca -0.05 -0.06 -0.33 0.00 -2.02 0.00 0.00 63.50 61.04 2c9t n PRO 16 Cb 0.63 -1.70 0.07 0.00 -0.02 0.00 0.00 33.50 32.48 2c9t n PRO 16 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2c9t s MET 17 N -3.35 2.42 -0.20 -0.52 1.75 -1.26 -4.91 119.30 113.23 2c9t s MET 17 Ca 0.54 1.48 -0.41 0.00 -1.25 0.00 0.00 55.69 56.05 2c9t s MET 17 Cb -0.20 -1.89 -0.18 0.00 2.84 0.00 0.00 34.83 35.40 2c9t s MET 17 CO 0.70 -1.56 1.50 0.98 -0.65 0.00 0.00 175.02 175.99 2c9t n TYR 18 N -2.77 1.62 1.81 4.11 9.36 -1.26 -4.84 117.16 125.19 2c9t n TYR 18 Ca 0.11 0.79 0.10 0.00 3.32 0.00 0.00 57.90 62.23 2c9t n TYR 18 Cb 0.52 -2.31 0.62 0.00 -0.63 0.00 0.00 39.34 37.53 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 3.73 0.91 0.00 2.98 -0.04 -1.26 -4.83 135.00 136.48 2c9t n PRO 19 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2c9t n PRO 19 Cb 0.09 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.70 0.12 3.79 0.55 0.00 -1.26 -5.02 105.19 104.07 2c9t n GLY 20 Ca 0.16 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.99 1.94 0.35 1.61 0.04 -1.26 -5.07 135.00 130.62 2c9t s PRO 21 Ca 0.00 0.69 0.06 0.00 0.04 0.00 0.00 61.00 61.79 2c9t s PRO 21 Cb 0.00 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 2c9t s PRO 21 CO 0.00 -1.73 0.22 0.95 0.04 0.00 0.00 177.00 176.48 2c9t s THR 22 N -3.11 0.18 0.17 1.26 -4.23 -1.11 -4.99 115.64 103.82 2c9t s THR 22 Ca 0.61 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.35 2c9t s THR 22 Cb -0.15 -2.45 0.21 0.00 1.34 0.00 0.00 72.50 71.45 2c9t s THR 22 CO 0.55 0.00 1.82 0.07 -0.54 0.00 0.00 174.62 176.52 2c9t h LYS 23 N 2.06 0.00 0.00 3.99 2.10 -1.92 -1.82 116.57 120.99 2c9t h LYS 23 Ca -0.29 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.28 2c9t h LYS 23 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.56 2c9t h LYS 23 CO 0.44 0.26 -0.41 -0.44 -2.00 0.00 0.00 179.45 177.29 2c9t h ASP 24 N 0.00 0.00 -2.14 7.07 3.32 -1.97 -3.37 116.42 119.33 2c9t h ASP 24 Ca -0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 2c9t h ASP 24 Cb 0.75 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.89 2c9t h ASP 24 CO 0.03 0.41 -0.84 -0.67 -1.72 0.00 0.00 179.24 176.45 2c9t n ASP 25 N -3.23 1.93 -4.75 6.45 2.03 -0.99 -5.12 116.55 112.88 2c9t n ASP 25 Ca 0.02 -3.05 -0.32 0.00 0.52 0.00 0.00 54.79 51.95 2c9t n ASP 25 Cb 0.68 -0.66 0.09 0.00 -0.72 0.00 0.00 41.12 40.51 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 -1.76 2.24 0.05 -0.67 0.04 -0.72 -2.75 135.00 131.44 2c9t s PRO 26 Ca 0.37 1.43 0.05 0.00 0.04 0.00 0.00 61.00 62.89 2c9t s PRO 26 Cb 0.15 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.79 2c9t s PRO 26 CO -0.07 -1.69 -0.14 -1.17 0.04 0.00 0.00 177.00 173.97 2c9t s LEU 27 N -5.48 2.22 -0.16 -3.56 2.96 0.29 -4.96 118.68 109.98 2c9t s LEU 27 Ca 0.67 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 54.03 2c9t s LEU 27 Cb -0.22 -0.56 -0.01 0.00 0.50 0.00 0.00 46.19 45.90 2c9t s LEU 27 CO 0.49 -0.02 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.50 2c9t s THR 28 N -1.05 3.11 -0.17 3.68 2.01 -1.26 -0.21 115.64 121.75 2c9t s THR 28 Ca -0.00 -0.62 -0.03 0.00 0.31 0.00 0.00 61.69 61.35 2c9t s THR 28 Cb -0.09 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 2c9t s THR 28 CO 0.02 0.50 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.68 2c9t s VAL 29 N 0.74 3.43 -0.23 3.82 1.01 -0.12 -4.37 120.40 124.68 2c9t s VAL 29 Ca -0.05 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 2c9t s VAL 29 Cb -0.15 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 2c9t s VAL 29 CO 0.02 0.48 0.13 -0.89 0.00 0.00 0.00 175.10 174.83 2c9t s THR 30 N 0.76 5.14 0.02 3.92 2.01 0.86 -0.06 115.64 128.29 2c9t s THR 30 Ca -0.03 0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.13 2c9t s THR 30 Cb -0.15 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 2c9t s THR 30 CO 0.02 0.37 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.40 2c9t s LEU 31 N 0.97 2.70 0.04 4.42 1.43 0.94 -1.30 118.68 127.88 2c9t s LEU 31 Ca 0.06 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 52.72 2c9t s LEU 31 Cb -0.13 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.52 2c9t s LEU 31 CO 0.03 0.27 0.18 -0.83 0.23 0.00 0.00 176.35 176.23 2c9t s GLY 32 N -1.35 0.05 -0.10 -3.19 0.00 -0.57 -4.35 107.32 97.81 2c9t s GLY 32 Ca 0.15 -0.31 0.03 0.00 0.00 0.00 0.00 44.72 44.59 2c9t s GLY 32 CO 0.05 -0.48 -0.19 -1.36 0.00 0.00 0.00 173.10 171.12 2c9t s PHE 33 N -2.49 2.65 -0.50 1.90 0.08 -1.26 -0.62 117.98 117.73 2c9t s PHE 33 Ca -0.06 -0.76 -0.12 0.00 0.12 0.00 0.00 56.93 56.11 2c9t s PHE 33 Cb -0.01 -1.74 0.13 0.00 -0.57 0.00 0.00 43.02 40.83 2c9t s PHE 33 CO -0.04 -0.26 0.41 0.99 -0.10 0.00 0.00 175.22 176.23 2c9t s THR 34 N 0.17 4.58 -0.24 0.64 2.01 -0.47 -1.58 115.64 120.74 2c9t s THR 34 Ca -0.11 -1.72 -0.29 0.00 0.31 0.00 0.00 61.69 59.88 2c9t s THR 34 Cb -0.16 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.38 2c9t s THR 34 CO 0.06 -0.82 1.15 -0.22 -0.69 0.00 0.00 174.62 174.11 2c9t s LEU 35 N 1.40 4.05 -0.17 4.42 2.96 -0.74 -1.22 118.68 129.38 2c9t s LEU 35 Ca 0.05 1.36 -0.02 0.00 -0.22 0.00 0.00 54.13 55.30 2c9t s LEU 35 Cb -0.27 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.65 2c9t s LEU 35 CO 0.00 -0.81 0.13 0.00 -1.32 0.00 0.00 176.35 174.35 2c9t n GLN 36 N 6.69 0.71 -3.63 1.98 6.02 0.27 -3.14 117.38 126.28 2c9t n GLN 36 Ca 0.13 0.21 -0.11 0.00 -0.01 0.00 0.00 57.00 57.22 2c9t n GLN 36 Cb 0.46 -1.63 -0.07 0.00 1.02 0.00 0.00 30.24 30.02 2c9t n GLN 36 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2c9t s ASP 37 N -6.78 -0.71 -0.53 1.08 2.15 -0.57 -0.07 116.67 111.23 2c9t s ASP 37 Ca -0.27 1.31 -0.20 0.00 0.43 0.00 0.00 52.55 53.82 2c9t s ASP 37 Cb 0.08 1.32 0.06 0.00 -0.30 0.00 0.00 42.92 44.08 2c9t s ASP 37 CO 0.71 -0.22 0.71 -0.63 -0.17 0.00 0.00 175.17 175.57 2c9t s ILE 38 N 0.65 4.74 -0.06 4.11 1.01 -1.26 -0.19 121.20 130.20 2c9t s ILE 38 Ca -0.02 -0.39 -0.18 0.00 0.00 0.00 0.00 60.65 60.07 2c9t s ILE 38 Cb -0.05 -4.39 -0.30 0.00 0.01 0.00 0.00 42.46 37.73 2c9t s ILE 38 CO -0.05 -0.94 0.74 0.58 0.00 0.00 0.00 174.94 175.27 2c9t h VAL 39 N 5.91 1.23 -3.43 2.92 2.07 -1.39 -3.41 116.25 120.14 2c9t h VAL 39 Ca -0.27 -2.49 -0.15 0.00 0.82 0.00 0.00 66.70 64.60 2c9t h VAL 39 Cb 1.09 2.93 -0.22 0.00 -1.52 0.00 0.00 31.29 33.57 2c9t h VAL 39 CO 1.02 0.73 -0.48 -0.75 0.02 0.00 0.00 177.57 178.11 2c9t s LYS 40 N -2.48 0.42 -0.03 1.57 2.20 -1.21 -4.94 119.74 115.28 2c9t s LYS 40 Ca -0.16 -0.22 0.05 0.00 -0.36 0.00 0.00 55.97 55.28 2c9t s LYS 40 Cb 0.03 0.18 -0.01 0.00 -1.51 0.00 0.00 37.83 36.52 2c9t s LYS 40 CO 0.82 -0.10 -0.18 0.08 -0.36 0.00 0.00 175.35 175.62 2c9t s VAL 41 N -1.00 1.41 -0.29 4.02 1.01 -1.26 -0.88 120.40 123.42 2c9t s VAL 41 Ca -0.11 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 2c9t s VAL 41 Cb -0.06 -1.19 0.09 0.00 0.00 0.00 0.00 36.38 35.22 2c9t s VAL 41 CO 0.01 0.40 0.07 -0.62 0.00 0.00 0.00 175.10 174.97 2c9t s ASP 42 N -0.24 3.96 0.00 3.32 -1.08 -0.10 -5.00 116.67 117.53 2c9t s ASP 42 Ca 0.03 -1.55 0.29 0.00 -0.52 0.00 0.00 52.55 50.80 2c9t s ASP 42 Cb -0.09 -0.94 1.24 0.00 -1.46 0.00 0.00 42.92 41.68 2c9t s ASP 42 CO 0.00 -0.38 1.91 -1.54 0.52 0.00 0.00 175.17 175.68 2c9t n SER 43 N 4.80 0.10 0.21 -0.34 3.41 -1.26 -0.88 113.62 119.66 2c9t n SER 43 Ca -0.03 0.14 0.12 0.00 -0.26 0.00 0.00 58.87 58.83 2c9t n SER 43 Cb 0.43 -0.32 0.17 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.06 0.00 0.00 4.04 4.64 -1.97 -3.37 113.55 116.95 2c9t h SER 44 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c9t h SER 44 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2c9t h SER 44 CO 0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 2c9t n THR 45 N -3.05 0.00 -4.00 2.95 -2.24 -1.11 -5.03 114.28 101.80 2c9t n THR 45 Ca 0.04 -0.42 -0.32 0.00 -2.27 0.00 0.00 64.05 61.08 2c9t n THR 45 Cb 0.53 1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 69.86 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 -0.24 -1.83 -4.25 3.42 3.02 -0.05 -4.90 115.26 110.42 2c9t n ASN 46 Ca 0.00 -1.13 -0.31 0.00 -0.03 0.00 0.00 54.58 53.12 2c9t n ASN 46 Cb 0.03 -2.54 -0.16 0.00 -0.61 0.00 0.00 39.78 36.49 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 -6.78 2.40 -0.01 3.52 2.02 -1.07 -0.78 118.70 118.00 2c9t s GLU 47 Ca 0.20 -0.87 0.07 0.00 0.02 0.00 0.00 54.97 54.39 2c9t s GLU 47 Cb -0.09 -2.06 -0.02 0.00 0.10 0.00 0.00 34.13 32.06 2c9t s GLU 47 CO 0.92 0.38 -0.21 0.08 0.02 0.00 0.00 175.26 176.45 2c9t s VAL 48 N -0.18 1.66 -0.21 2.63 1.01 -0.80 -0.93 120.40 123.59 2c9t s VAL 48 Ca -0.02 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 2c9t s VAL 48 Cb -0.13 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 2c9t s VAL 48 CO 0.03 0.44 0.00 -1.81 0.00 0.00 0.00 175.10 173.77 2c9t s ASP 49 N -0.56 4.83 -0.03 3.32 1.11 -0.06 -1.49 116.67 123.79 2c9t s ASP 49 Ca 0.08 -0.21 0.02 0.00 0.18 0.00 0.00 52.55 52.62 2c9t s ASP 49 Cb -0.08 -1.83 -0.03 0.00 1.07 0.00 0.00 42.92 42.05 2c9t s ASP 49 CO -0.01 0.05 -0.08 -0.76 1.18 0.00 0.00 175.17 175.55 2c9t s LEU 50 N 1.09 3.09 -0.15 1.23 1.43 0.12 -0.92 118.68 124.58 2c9t s LEU 50 Ca 0.02 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2c9t s LEU 50 Cb -0.14 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.36 2c9t s LEU 50 CO 0.02 0.33 -0.18 -0.69 0.23 0.00 0.00 176.35 176.05 2c9t s VAL 51 N -0.88 2.39 0.21 -1.59 1.01 0.73 -0.92 120.40 121.36 2c9t s VAL 51 Ca 0.14 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 2c9t s VAL 51 Cb -0.11 -1.99 -0.00 0.00 0.00 0.00 0.00 36.38 34.28 2c9t s VAL 51 CO 0.04 0.53 0.41 -0.72 0.00 0.00 0.00 175.10 175.36 2c9t s TYR 52 N 0.78 0.30 -0.18 5.22 -0.85 -0.84 -0.57 117.35 121.22 2c9t s TYR 52 Ca -0.07 -0.66 -0.06 0.00 -0.52 0.00 0.00 57.07 55.77 2c9t s TYR 52 Cb -0.16 0.12 -0.03 0.00 0.38 0.00 0.00 41.96 42.27 2c9t s TYR 52 CO -0.00 -0.87 0.01 0.71 -1.52 0.00 0.00 175.55 173.88 2c9t s TYR 53 N -3.98 3.12 -0.45 -3.49 2.02 -0.36 -0.94 117.35 113.28 2c9t s TYR 53 Ca 0.18 -0.18 -0.14 0.00 -0.37 0.00 0.00 57.07 56.57 2c9t s TYR 53 Cb 0.01 -2.04 0.07 0.00 -0.40 0.00 0.00 41.96 39.60 2c9t s TYR 53 CO 0.04 -0.01 0.35 -2.00 -1.57 0.00 0.00 175.55 172.36 2c9t s GLU 54 N 0.53 2.87 0.01 -0.62 2.12 -0.41 -1.37 118.70 121.82 2c9t s GLU 54 Ca 0.00 -1.37 -0.30 0.00 0.36 0.00 0.00 54.97 53.66 2c9t s GLU 54 Cb -0.14 -4.02 -0.04 0.00 0.26 0.00 0.00 34.13 30.19 2c9t s GLU 54 CO 0.02 -0.99 1.14 -1.14 -0.54 0.00 0.00 175.26 173.74 2c9t s GLN 55 N 1.58 4.44 -0.05 4.30 0.74 0.21 -3.26 119.66 127.61 2c9t s GLN 55 Ca 0.04 1.64 0.01 0.00 0.05 0.00 0.00 55.36 57.10 2c9t s GLN 55 Cb -0.24 -3.44 0.02 0.00 1.10 0.00 0.00 33.01 30.46 2c9t s GLN 55 CO 0.05 -0.26 -0.06 -0.65 -0.55 0.00 0.00 175.29 173.82 2c9t s GLN 56 N 1.40 1.01 -0.07 1.67 -0.21 -0.34 -1.52 119.66 121.60 2c9t s GLN 56 Ca 0.56 -0.16 -0.04 0.00 0.02 0.00 0.00 55.36 55.73 2c9t s GLN 56 Cb -0.26 -0.97 0.03 0.00 1.00 0.00 0.00 33.01 32.81 2c9t s GLN 56 CO 0.26 -0.07 0.17 0.50 -2.12 0.00 0.00 175.29 174.03 2c9t s ARG 57 N 0.92 0.15 0.32 2.91 3.52 -0.42 -0.90 118.95 125.46 2c9t s ARG 57 Ca -0.11 0.32 -0.06 0.00 -0.13 0.00 0.00 55.73 55.76 2c9t s ARG 57 Cb -0.14 -0.05 0.01 0.00 -1.56 0.00 0.00 34.95 33.20 2c9t s ARG 57 CO 0.00 -0.10 0.49 1.67 -0.81 0.00 0.00 175.30 176.56 2c9t s TRP 58 N 0.68 0.85 -0.01 5.12 -2.14 -0.90 -0.10 118.94 122.44 2c9t s TRP 58 Ca -0.05 -1.14 0.00 0.00 2.66 0.00 0.00 56.10 57.57 2c9t s TRP 58 Cb -0.07 0.04 0.01 0.00 -3.10 0.00 0.00 33.47 30.36 2c9t s TRP 58 CO -0.03 -1.14 0.01 0.21 -2.66 0.00 0.00 176.95 173.34 2c9t s LYS 59 N -3.20 0.00 -0.08 3.25 2.20 -1.26 -0.33 119.74 120.32 2c9t s LYS 59 Ca 0.28 0.07 0.03 0.00 -0.36 0.00 0.00 55.97 55.99 2c9t s LYS 59 Cb -0.01 -0.12 0.01 0.00 -1.51 0.00 0.00 37.83 36.20 2c9t s LYS 59 CO 0.17 -0.07 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.41 2c9t s LEU 60 N 0.44 1.84 0.42 5.43 1.43 -0.41 -4.90 118.68 122.92 2c9t s LEU 60 Ca -0.04 -0.40 0.09 0.00 -1.03 0.00 0.00 54.13 52.75 2c9t s LEU 60 Cb -0.05 -1.07 0.91 0.00 0.03 0.00 0.00 46.19 46.01 2c9t s LEU 60 CO -0.01 0.09 2.05 0.78 0.23 0.00 0.00 176.35 179.49 2c9t h ASN 61 N 6.80 0.43 0.33 2.29 2.35 -1.88 -1.49 115.58 124.41 2c9t h ASN 61 Ca -0.26 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2c9t h ASN 61 Cb 1.21 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.47 2c9t h ASN 61 CO 0.47 0.30 0.00 -1.54 -1.65 0.00 0.00 177.43 175.01 2c9t n SER 62 N -4.48 0.00 -0.65 5.81 3.41 -1.26 -2.63 113.62 113.82 2c9t n SER 62 Ca 0.04 0.20 0.06 0.00 -0.26 0.00 0.00 58.87 58.91 2c9t n SER 62 Cb 0.12 -0.35 0.15 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.35 2.90 -4.81 1.04 4.77 -0.56 -4.98 117.00 114.01 2c9t n LEU 63 Ca 0.06 -1.94 -0.34 0.00 -0.03 0.00 0.00 56.01 53.76 2c9t n LEU 63 Cb 0.13 -0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 40.93 2c9t n LEU 63 CO 0.12 0.72 0.62 -0.04 -1.33 0.00 0.00 177.39 177.48 2c9t s MET 64 N -1.00 4.31 0.14 3.23 -1.94 -1.08 -3.74 119.30 119.22 2c9t s MET 64 Ca 0.23 1.13 -0.09 0.00 -1.71 0.00 0.00 55.69 55.26 2c9t s MET 64 Cb 0.12 -2.39 -0.01 0.00 2.01 0.00 0.00 34.83 34.56 2c9t s MET 64 CO 0.16 0.08 0.26 1.67 -0.01 0.00 0.00 175.02 177.19 2c9t s TRP 65 N -1.99 0.34 -0.45 -0.03 -2.14 0.97 -4.91 118.94 110.73 2c9t s TRP 65 Ca 0.57 -0.71 -0.24 0.00 2.66 0.00 0.00 56.10 58.38 2c9t s TRP 65 Cb -0.12 -0.06 0.03 0.00 -3.10 0.00 0.00 33.47 30.22 2c9t s TRP 65 CO 0.17 -0.67 0.83 0.34 -2.66 0.00 0.00 176.95 174.95 2c9t s ASP 66 N -2.94 6.45 0.54 -2.66 -1.08 -1.26 -4.58 116.67 111.13 2c9t s ASP 66 Ca 0.14 -0.02 0.24 0.00 -0.52 0.00 0.00 52.55 52.39 2c9t s ASP 66 Cb 0.04 -2.41 1.42 0.00 -1.46 0.00 0.00 42.92 40.51 2c9t s ASP 66 CO -0.03 -0.95 2.06 -0.65 0.52 0.00 0.00 175.17 176.12 2c9t h PRO 67 N 8.99 0.00 0.00 4.34 0.11 -1.93 -1.28 132.00 142.22 2c9t h PRO 67 Ca -0.24 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.81 2c9t h PRO 67 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2c9t h PRO 67 CO 0.98 0.00 -0.26 -0.97 -0.21 0.00 0.00 178.00 177.54 2c9t h ASN 68 N 0.00 0.00 1.01 -2.05 -1.24 -1.92 0.68 115.58 112.06 2c9t h ASN 68 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.15 2c9t h ASN 68 Cb 0.61 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.66 2c9t h ASN 68 CO -0.00 0.26 0.00 -0.33 -1.29 0.00 0.00 177.43 176.07 2c9t h GLU 69 N 0.00 0.00 -1.29 6.67 5.08 -1.65 -3.36 114.58 120.03 2c9t h GLU 69 Ca -0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.91 2c9t h GLU 69 Cb 0.65 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.50 2c9t h GLU 69 CO 0.03 0.00 -1.04 0.66 -1.00 0.00 0.00 179.01 177.67 2c9t n TYR 70 N -2.48 1.86 -2.87 4.33 4.01 -0.68 -4.95 117.16 116.39 2c9t n TYR 70 Ca 0.03 -3.02 -0.21 0.00 -0.16 0.00 0.00 57.90 54.53 2c9t n TYR 70 Cb 0.30 -0.30 0.02 0.00 -0.31 0.00 0.00 39.34 39.05 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 -0.16 -0.51 2.53 2.72 0.00 -1.19 -1.48 105.19 107.09 2c9t n GLY 71 Ca 0.20 0.09 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.33 -5.57 -4.68 1.61 3.02 0.23 -4.95 115.26 102.58 2c9t n ASN 72 Ca -0.14 0.34 -0.43 0.00 -0.03 0.00 0.00 54.58 54.33 2c9t n ASN 72 Cb 0.63 -4.78 -0.03 0.00 -0.61 0.00 0.00 39.78 34.99 2c9t n ASN 72 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2c9t n ILE 73 N -2.91 0.51 -0.01 2.41 5.41 -0.55 -4.88 119.36 119.35 2c9t n ILE 73 Ca -0.22 -0.09 0.10 0.00 1.00 0.00 0.00 62.75 63.54 2c9t n ILE 73 Cb 0.67 -2.16 -0.15 0.00 -0.71 0.00 0.00 39.64 37.30 2c9t n ILE 73 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2c9t n THR 74 N 4.98 0.00 -3.62 1.39 -2.24 -1.26 -4.36 114.28 109.18 2c9t n THR 74 Ca 0.19 -0.45 -0.10 0.00 -2.27 0.00 0.00 64.05 61.43 2c9t n THR 74 Cb 0.38 0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.64 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 -0.43 0.28 3.42 -4.77 -1.26 -1.48 116.67 108.17 2c9t s ASP 75 Ca -0.07 -0.27 -0.18 0.00 -3.30 0.00 0.00 52.55 48.73 2c9t s ASP 75 Cb 0.13 0.65 0.01 0.00 -1.09 0.00 0.00 42.92 42.62 2c9t s ASP 75 CO 0.81 -1.13 0.65 0.72 0.70 0.00 0.00 175.17 176.93 2c9t s PHE 76 N -3.80 0.01 -0.01 2.11 -0.12 0.13 -4.98 117.98 111.32 2c9t s PHE 76 Ca 0.06 -0.46 0.06 0.00 -0.05 0.00 0.00 56.93 56.54 2c9t s PHE 76 Cb -0.03 0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 42.89 2c9t s PHE 76 CO -0.04 -1.19 -0.19 1.03 -0.05 0.00 0.00 175.22 174.78 2c9t s ARG 77 N -3.83 2.25 0.02 1.99 3.00 -1.26 -0.44 118.95 120.69 2c9t s ARG 77 Ca 0.15 -0.85 -0.22 0.00 0.00 0.00 0.00 55.73 54.80 2c9t s ARG 77 Cb -0.04 -2.22 0.05 0.00 0.00 0.00 0.00 34.95 32.74 2c9t s ARG 77 CO 0.08 0.58 0.51 -0.08 0.00 0.00 0.00 175.30 176.39 2c9t s THR 78 N -0.75 0.03 0.03 0.02 -1.32 -0.66 -5.01 115.64 107.98 2c9t s THR 78 Ca 0.12 -0.26 -0.38 0.00 -1.21 0.00 0.00 61.69 59.96 2c9t s THR 78 Cb -0.10 -0.93 -0.17 0.00 -1.51 0.00 0.00 72.50 69.78 2c9t s THR 78 CO 0.01 -0.14 1.33 -0.24 -2.21 0.00 0.00 174.62 173.37 2c9t n SER 79 N 0.62 1.42 0.12 8.08 2.88 -1.26 -1.00 113.62 124.48 2c9t n SER 79 Ca -0.19 1.12 0.20 0.00 -1.33 0.00 0.00 58.87 58.67 2c9t n SER 79 Cb 0.59 -1.14 0.72 0.00 -0.75 0.00 0.00 64.21 63.63 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 4.52 2.03 0.00 -1.46 0.00 -1.33 -0.48 119.26 122.54 2c9t h ALA 80 Ca -0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2c9t h ALA 80 Cb 1.35 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2c9t h ALA 80 CO 0.77 -0.69 -0.03 0.00 0.00 0.00 0.00 179.25 179.30 2c9t h ALA 81 N 1.35 1.00 0.00 0.00 0.00 -1.89 -2.98 119.26 116.74 2c9t h ALA 81 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2c9t h ALA 81 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2c9t h ALA 81 CO -0.00 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.04 2c9t n ASP 82 N -3.13 0.37 -4.21 0.00 8.00 -0.19 -4.89 116.55 112.51 2c9t n ASP 82 Ca 0.01 0.56 -0.15 0.00 0.71 0.00 0.00 54.79 55.91 2c9t n ASP 82 Cb 0.34 -0.65 -0.11 0.00 -0.02 0.00 0.00 41.12 40.69 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 -3.09 1.09 0.36 0.53 -4.36 -1.13 -5.01 121.20 109.59 2c9t s ILE 83 Ca 0.10 -1.73 -0.28 0.00 -0.26 0.00 0.00 60.65 58.48 2c9t s ILE 83 Cb 0.13 -1.48 -0.11 0.00 1.25 0.00 0.00 42.46 42.25 2c9t s ILE 83 CO 0.46 -0.55 1.45 0.86 0.24 0.00 0.00 174.94 177.41 2c9t s TRP 84 N -2.50 2.69 0.05 1.37 -0.00 -1.26 -4.95 118.94 114.34 2c9t s TRP 84 Ca 0.08 1.21 0.03 0.00 -0.00 0.00 0.00 56.10 57.42 2c9t s TRP 84 Cb -0.03 -3.95 -0.02 0.00 -0.00 0.00 0.00 33.47 29.47 2c9t s TRP 84 CO 0.01 -2.78 -0.10 0.95 -0.00 0.00 0.00 176.95 175.03 2c9t s THR 85 N -1.08 0.77 0.57 5.86 -4.23 -1.26 -5.09 115.64 111.17 2c9t s THR 85 Ca 0.52 -1.07 -0.18 0.00 -1.18 0.00 0.00 61.69 59.78 2c9t s THR 85 Cb -0.45 -0.77 -0.05 0.00 1.34 0.00 0.00 72.50 72.57 2c9t s THR 85 CO 0.60 -0.25 1.09 -2.16 -0.54 0.00 0.00 174.62 173.36 2c9t s PRO 86 N -1.47 3.32 -0.40 3.99 0.04 -1.26 -4.93 135.00 134.30 2c9t s PRO 86 Ca -0.05 1.44 -0.03 0.00 0.04 0.00 0.00 61.00 62.39 2c9t s PRO 86 Cb -0.09 -2.02 0.08 0.00 0.04 0.00 0.00 34.50 32.51 2c9t s PRO 86 CO 0.01 -0.84 2.64 -0.40 0.04 0.00 0.00 177.00 178.45 2c9t n ASP 87 N -1.60 6.41 -4.69 6.66 5.75 -1.26 -4.96 116.55 122.85 2c9t n ASP 87 Ca 0.10 -3.13 -0.42 0.00 -0.01 0.00 0.00 54.79 51.33 2c9t n ASP 87 Cb 0.52 -1.20 -0.03 0.00 -1.03 0.00 0.00 41.12 39.38 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 3.98 -0.01 2.12 -1.09 -1.26 -3.02 121.20 119.83 2c9t s ILE 88 Ca 0.53 1.34 0.02 0.00 -2.23 0.00 0.00 60.65 60.31 2c9t s ILE 88 Cb 0.35 -3.86 -0.00 0.00 -1.58 0.00 0.00 42.46 37.36 2c9t s ILE 88 CO -0.16 0.01 -0.06 -0.89 -1.23 0.00 0.00 174.94 172.61 2c9t s THR 89 N 2.20 0.52 0.11 2.92 2.01 0.15 -4.90 115.64 118.65 2c9t s THR 89 Ca 0.60 -0.27 -0.31 0.00 0.31 0.00 0.00 61.69 62.02 2c9t s THR 89 Cb -0.28 -0.45 -0.07 0.00 0.01 0.00 0.00 72.50 71.71 2c9t s THR 89 CO 0.25 0.16 1.24 0.00 -0.69 0.00 0.00 174.62 175.57 2c9t s ALA 90 N -0.06 3.45 -0.87 7.40 0.00 -1.26 -1.25 121.76 129.17 2c9t s ALA 90 Ca 0.01 0.94 0.25 0.00 0.00 0.00 0.00 51.96 53.16 2c9t s ALA 90 Cb -0.04 -3.46 0.54 0.00 0.00 0.00 0.00 23.12 20.17 2c9t s ALA 90 CO -0.00 -0.46 1.45 0.66 0.00 0.00 0.00 175.76 177.41 2c9t n TYR 91 N 3.54 0.22 -2.30 0.00 4.01 0.13 -4.13 117.16 118.63 2c9t n TYR 91 Ca 0.08 0.06 0.02 0.00 -0.16 0.00 0.00 57.90 57.90 2c9t n TYR 91 Cb 0.45 -0.44 0.07 0.00 -0.31 0.00 0.00 39.34 39.11 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 -1.73 1.54 -4.75 7.72 3.41 -1.26 -5.02 113.62 113.52 2c9t n SER 92 Ca 0.05 -2.59 -0.35 0.00 -0.26 0.00 0.00 58.87 55.72 2c9t n SER 92 Cb 0.37 -0.39 0.05 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.69 4.92 0.00 4.04 1.04 -1.26 -1.13 113.70 118.62 2c9t s SER 93 Ca 0.35 2.25 0.07 0.00 0.48 0.00 0.00 55.95 59.11 2c9t s SER 93 Cb 0.38 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.87 2c9t s SER 93 CO -0.11 -1.77 0.40 0.35 0.98 0.00 0.00 173.24 173.09 2c9t n THR 94 N -2.12 0.00 -4.03 2.02 -2.24 0.40 -4.84 114.28 103.47 2c9t n THR 94 Ca 0.12 -0.37 -0.08 0.00 -2.27 0.00 0.00 64.05 61.45 2c9t n THR 94 Cb 0.51 1.04 -0.09 0.00 -2.10 0.00 0.00 70.33 69.68 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 -1.42 0.73 0.41 -0.78 1.81 -1.25 -5.06 118.95 113.39 2c9t s ARG 95 Ca 0.04 -1.17 -0.26 0.00 -1.72 0.00 0.00 55.73 52.62 2c9t s ARG 95 Cb 0.06 0.26 -0.09 0.00 -0.45 0.00 0.00 34.95 34.72 2c9t s ARG 95 CO 0.24 -0.18 1.37 -2.14 -0.68 0.00 0.00 175.30 173.91 2c9t s PRO 96 N -3.92 3.94 0.38 3.54 0.02 -1.26 -4.69 135.00 133.01 2c9t s PRO 96 Ca 0.09 2.30 -0.27 0.00 0.02 0.00 0.00 61.00 63.14 2c9t s PRO 96 Cb 0.07 -2.79 -0.10 0.00 0.02 0.00 0.00 34.50 31.70 2c9t s PRO 96 CO -0.09 -0.57 1.34 0.08 -0.33 0.00 0.00 177.00 177.43 2c9t s VAL 97 N -1.21 2.54 -0.19 3.83 1.01 -1.26 -4.87 120.40 120.25 2c9t s VAL 97 Ca 0.57 0.52 -0.07 0.00 0.00 0.00 0.00 61.98 62.99 2c9t s VAL 97 Cb -0.41 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2c9t s VAL 97 CO 0.54 0.10 0.06 -1.10 0.00 0.00 0.00 175.10 174.70 2c9t s GLN 98 N -2.07 3.97 -0.14 2.72 -0.21 -0.76 -4.97 119.66 118.19 2c9t s GLN 98 Ca 0.54 -0.35 -0.21 0.00 0.02 0.00 0.00 55.36 55.36 2c9t s GLN 98 Cb -0.40 -3.23 -0.03 0.00 1.00 0.00 0.00 33.01 30.35 2c9t s GLN 98 CO 0.53 0.25 0.61 0.08 -2.12 0.00 0.00 175.29 174.64 2c9t s VAL 99 N 0.43 5.07 -0.35 1.09 1.01 -1.26 -0.89 120.40 125.50 2c9t s VAL 99 Ca 0.03 1.19 0.15 0.00 0.00 0.00 0.00 61.98 63.35 2c9t s VAL 99 Cb -0.12 -3.94 -0.20 0.00 0.00 0.00 0.00 36.38 32.12 2c9t s VAL 99 CO 0.00 0.21 0.48 0.18 0.00 0.00 0.00 175.10 175.97 2c9t n LEU 100 N 4.32 0.34 -4.66 3.92 4.77 0.11 -4.98 117.00 120.82 2c9t n LEU 100 Ca -0.03 -0.24 -0.25 0.00 -0.03 0.00 0.00 56.01 55.45 2c9t n LEU 100 Cb 0.51 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 2c9t n LEU 100 CO 0.45 0.09 -0.26 -0.94 -1.33 0.00 0.00 177.39 175.39 2c9t s SER 101 N -3.09 4.16 0.45 -1.43 1.04 -1.24 -4.96 113.70 108.63 2c9t s SER 101 Ca -0.00 -1.12 -0.25 0.00 0.48 0.00 0.00 55.95 55.06 2c9t s SER 101 Cb 0.10 -0.47 -0.08 0.00 0.10 0.00 0.00 66.02 65.67 2c9t s SER 101 CO 0.62 -0.38 1.32 -2.84 0.98 0.00 0.00 173.24 172.94 2c9t s PRO 102 N -3.77 3.71 -1.22 4.02 0.02 -1.26 -4.88 135.00 131.63 2c9t s PRO 102 Ca 0.37 2.17 -0.14 0.00 0.02 0.00 0.00 61.00 63.41 2c9t s PRO 102 Cb 0.04 -2.58 0.16 0.00 0.02 0.00 0.00 34.50 32.13 2c9t s PRO 102 CO 0.20 -0.71 1.48 -0.65 -0.33 0.00 0.00 177.00 176.99 2c9t s GLN 103 N -2.48 4.07 -0.04 5.54 -1.52 -1.26 -4.90 119.66 119.06 2c9t s GLN 103 Ca 0.62 -2.49 0.00 0.00 -1.95 0.00 0.00 55.36 51.54 2c9t s GLN 103 Cb -0.38 -5.13 0.02 0.00 -0.22 0.00 0.00 33.01 27.30 2c9t s GLN 103 CO 0.48 -1.84 -0.02 0.42 -0.25 0.00 0.00 175.29 174.08 2c9t s ILE 104 N 1.97 0.40 0.23 1.08 1.01 -1.26 -0.88 121.20 123.75 2c9t s ILE 104 Ca 0.44 -0.02 0.06 0.00 0.00 0.00 0.00 60.65 61.13 2c9t s ILE 104 Cb -0.02 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 2c9t s ILE 104 CO 0.01 0.21 0.21 0.00 0.00 0.00 0.00 174.94 175.36 2c9t s ALA 105 N 1.10 3.64 -0.20 9.38 0.00 -0.17 -4.55 121.76 130.97 2c9t s ALA 105 Ca -0.08 -1.34 -0.03 0.00 0.00 0.00 0.00 51.96 50.51 2c9t s ALA 105 Cb -0.14 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.59 2c9t s ALA 105 CO -0.01 0.31 -0.06 0.08 0.00 0.00 0.00 175.76 176.08 2c9t s VAL 106 N -2.02 3.31 -0.13 0.00 1.01 0.15 -1.65 120.40 121.07 2c9t s VAL 106 Ca 0.33 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 2c9t s VAL 106 Cb -0.09 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 2c9t s VAL 106 CO 0.25 0.45 -0.11 -0.69 0.00 0.00 0.00 175.10 175.00 2c9t s VAL 107 N 1.17 3.23 0.16 2.92 1.01 0.42 -1.11 120.40 128.20 2c9t s VAL 107 Ca 0.02 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.46 2c9t s VAL 107 Cb -0.14 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2c9t s VAL 107 CO -0.02 0.53 0.05 -0.89 0.00 0.00 0.00 175.10 174.77 2c9t s THR 108 N 0.24 4.05 0.25 3.92 2.01 -0.31 0.21 115.64 126.01 2c9t s THR 108 Ca -0.08 -1.23 0.33 0.00 0.31 0.00 0.00 61.69 61.02 2c9t s THR 108 Cb -0.15 -3.03 0.36 0.00 0.01 0.00 0.00 72.50 69.69 2c9t s THR 108 CO 0.05 -0.07 2.03 1.12 -0.69 0.00 0.00 174.62 177.06 2c9t h HIS 109 N 2.71 0.00 0.00 4.92 2.07 -1.56 0.17 115.15 123.46 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 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 2c9t h HIS 109 CO 0.61 0.06 0.00 -0.40 -3.07 0.00 0.00 177.93 175.12 2c9t n ASP 110 N -3.23 0.00 0.00 3.10 5.75 -1.26 -0.02 116.55 120.88 2c9t n ASP 110 Ca -0.00 -1.19 0.00 0.00 -0.01 0.00 0.00 54.79 53.59 2c9t n ASP 110 Cb 0.28 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 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 0.49 0.81 3.76 6.12 0.00 0.59 -4.63 105.19 112.33 2c9t n GLY 111 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.00 6.91 -0.06 1.61 0.01 -1.21 -1.29 113.70 116.67 2c9t s SER 112 Ca 0.00 2.52 0.06 0.00 1.31 0.00 0.00 55.95 59.83 2c9t s SER 112 Cb 0.00 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.59 2c9t s SER 112 CO 0.00 -0.45 -0.24 -0.69 0.41 0.00 0.00 173.24 172.27 2c9t s VAL 113 N -0.76 2.00 -0.16 3.43 1.01 0.55 -1.16 120.40 125.31 2c9t s VAL 113 Ca 0.50 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2c9t s VAL 113 Cb -0.37 -1.70 0.03 0.00 0.00 0.00 0.00 36.38 34.34 2c9t s VAL 113 CO 0.46 0.56 -0.11 -0.32 0.00 0.00 0.00 175.10 175.68 2c9t s MET 114 N -0.08 2.03 -0.09 2.72 0.00 -0.27 -2.12 119.30 121.49 2c9t s MET 114 Ca -0.06 -0.59 0.03 0.00 0.00 0.00 0.00 55.69 55.08 2c9t s MET 114 Cb -0.14 -2.11 0.00 0.00 0.00 0.00 0.00 34.83 32.59 2c9t s MET 114 CO 0.04 -0.31 -0.20 0.12 0.00 0.00 0.00 175.02 174.67 2c9t s PHE 115 N 1.51 2.15 -0.55 4.11 5.36 -0.08 -0.68 117.98 129.80 2c9t s PHE 115 Ca 0.03 -0.86 0.05 0.00 -0.96 0.00 0.00 56.93 55.19 2c9t s PHE 115 Cb -0.14 -1.47 0.19 0.00 -0.34 0.00 0.00 43.02 41.26 2c9t s PHE 115 CO -0.09 -0.36 0.47 -0.89 -1.46 0.00 0.00 175.22 172.89 2c9t n ILE 116 N 3.62 0.37 -2.50 3.12 5.41 -1.26 -1.20 119.36 126.93 2c9t n ILE 116 Ca -0.20 -4.27 -0.42 0.00 1.00 0.00 0.00 62.75 58.85 2c9t n ILE 116 Cb 0.53 -1.95 -0.03 0.00 -0.71 0.00 0.00 39.64 37.48 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 -1.00 4.41 -0.03 0.38 0.04 -1.20 -4.76 135.00 132.84 2c9t s PRO 117 Ca 0.31 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.70 2c9t s PRO 117 Cb 0.04 -3.47 -0.03 0.00 0.04 0.00 0.00 34.50 31.07 2c9t s PRO 117 CO -0.15 -0.32 1.12 0.00 0.04 0.00 0.00 177.00 177.69 2c9t s ALA 118 N 1.66 3.39 0.02 8.56 0.00 -1.26 -1.29 121.76 132.83 2c9t s ALA 118 Ca 0.56 0.61 0.03 0.00 0.00 0.00 0.00 51.96 53.16 2c9t s ALA 118 Cb -0.25 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.40 2c9t s ALA 118 CO 0.25 -0.56 -0.10 -0.65 0.00 0.00 0.00 175.76 174.70 2c9t s GLN 119 N 1.70 0.69 -0.26 0.00 -0.21 -0.11 0.10 119.66 121.56 2c9t s GLN 119 Ca 0.54 -0.51 -0.08 0.00 0.02 0.00 0.00 55.36 55.34 2c9t s GLN 119 Cb -0.24 -0.63 -0.02 0.00 1.00 0.00 0.00 33.01 33.12 2c9t s GLN 119 CO 0.24 0.16 0.08 0.50 -2.12 0.00 0.00 175.29 174.15 2c9t s ARG 120 N -0.74 3.56 -0.11 2.91 3.52 -0.07 -1.98 118.95 126.04 2c9t s ARG 120 Ca -0.00 -0.55 0.02 0.00 -0.13 0.00 0.00 55.73 55.07 2c9t s ARG 120 Cb -0.06 -3.36 -0.01 0.00 -1.56 0.00 0.00 34.95 29.97 2c9t s ARG 120 CO 0.00 -0.24 -0.19 -1.17 -0.81 0.00 0.00 175.30 172.89 2c9t s LEU 121 N 1.60 2.41 -0.29 -0.88 2.96 -0.10 -1.83 118.68 122.55 2c9t s LEU 121 Ca 0.06 -0.44 -0.13 0.00 -0.22 0.00 0.00 54.13 53.40 2c9t s LEU 121 Cb -0.16 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 2c9t s LEU 121 CO 0.04 0.17 0.27 -0.44 -1.32 0.00 0.00 176.35 175.06 2c9t s SER 122 N 0.32 6.11 0.20 3.68 0.01 -1.26 -0.70 113.70 122.06 2c9t s SER 122 Ca -0.14 -0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.13 2c9t s SER 122 Cb -0.17 -2.16 -0.05 0.00 0.21 0.00 0.00 66.02 63.86 2c9t s SER 122 CO 0.07 -0.15 -0.01 0.72 0.41 0.00 0.00 173.24 174.28 2c9t s PHE 123 N 1.87 1.42 -0.27 2.43 -0.12 -0.55 -0.46 117.98 122.30 2c9t s PHE 123 Ca 0.10 -0.93 -0.29 0.00 -0.05 0.00 0.00 56.93 55.76 2c9t s PHE 123 Cb -0.16 -0.81 -0.02 0.00 -0.63 0.00 0.00 43.02 41.40 2c9t s PHE 123 CO 0.11 -0.07 1.61 -1.64 -0.05 0.00 0.00 175.22 175.17 2c9t s MET 124 N -3.86 3.68 -0.24 1.99 -1.94 -0.28 -1.90 119.30 116.75 2c9t s MET 124 Ca 0.26 1.50 -0.10 0.00 -1.71 0.00 0.00 55.69 55.63 2c9t s MET 124 Cb 0.05 -4.06 0.09 0.00 2.01 0.00 0.00 34.83 32.93 2c9t s MET 124 CO 0.06 -1.43 0.54 0.00 -0.01 0.00 0.00 175.02 174.18 2c9t s ASP 126 N 2.18 6.28 -0.00 0.00 -1.08 -1.26 -3.10 116.67 119.68 2c9t s ASP 126 Ca -0.07 -0.58 0.02 0.00 -0.52 0.00 0.00 52.55 51.41 2c9t s ASP 126 Cb -0.09 -2.42 0.08 0.00 -1.46 0.00 0.00 42.92 39.02 2c9t s ASP 126 CO -0.16 -1.26 1.01 -0.81 0.52 0.00 0.00 175.17 174.47 2c9t n PRO 127 N 7.42 1.23 -1.66 4.34 -0.04 -1.26 -4.85 135.00 140.18 2c9t n PRO 127 Ca -0.01 -0.31 -0.43 0.00 -0.04 0.00 0.00 63.50 62.71 2c9t n PRO 127 Cb 0.47 -1.13 -0.03 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.21 0.74 -0.16 0.52 -1.04 -1.26 -1.22 114.28 111.65 2c9t n THR 128 Ca 0.03 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2c9t n THR 128 Cb 0.11 -2.26 0.00 0.00 -1.82 0.00 0.00 70.33 66.36 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 4.55 0.92 0.22 3.41 0.00 -1.26 -4.81 105.19 108.22 2c9t n GLY 129 Ca 0.21 0.00 0.00 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 1.23 0.00 1.61 3.04 -1.41 -2.23 116.25 118.49 2c9t h VAL 130 Ca 0.00 -1.09 0.00 0.00 -1.01 0.00 0.00 66.70 64.60 2c9t h VAL 130 Cb 0.00 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 2c9t h VAL 130 CO 0.00 0.33 0.00 -0.90 -1.01 0.00 0.00 177.57 175.99 2c9t n ASP 131 N -4.17 0.00 -4.90 3.17 5.68 -1.26 -0.69 116.55 114.38 2c9t n ASP 131 Ca -0.01 0.24 -0.29 0.00 -0.50 0.00 0.00 54.79 54.23 2c9t n ASP 131 Cb 0.35 -0.40 0.08 0.00 -1.14 0.00 0.00 41.12 40.01 2c9t n ASP 131 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2c9t s SER 132 N -2.80 4.78 0.24 -1.12 1.04 -0.84 -4.88 113.70 110.12 2c9t s SER 132 Ca 0.17 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.39 2c9t s SER 132 Cb 0.16 -1.39 0.27 0.00 0.10 0.00 0.00 66.02 65.16 2c9t s SER 132 CO 0.41 -1.71 1.62 -0.08 0.98 0.00 0.00 173.24 174.46 2c9t h GLU 133 N -0.86 0.50 0.00 4.02 4.81 -1.88 -3.11 114.58 118.07 2c9t h GLU 133 Ca -0.45 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 58.47 2c9t h GLU 133 Cb 1.31 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 2c9t h GLU 133 CO 0.64 0.82 -0.29 1.05 -0.73 0.00 0.00 179.01 180.50 2c9t h GLU 134 N 0.42 0.00 0.00 1.92 9.09 -1.94 -3.49 114.58 120.57 2c9t h GLU 134 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.45 2c9t h GLU 134 Cb 0.87 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.97 2c9t h GLU 134 CO 0.07 0.29 0.00 0.41 0.05 0.00 0.00 179.01 179.83 2c9t n GLY 135 N 0.68 -0.15 3.23 1.06 0.00 -1.18 -4.86 105.19 103.97 2c9t n GLY 135 Ca 0.01 -1.04 -0.17 0.00 0.00 0.00 0.00 46.02 44.82 2c9t n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c9t s VAL 136 N 0.00 1.25 -0.12 1.61 1.01 0.12 -4.57 120.40 119.70 2c9t s VAL 136 Ca 0.00 -1.68 0.01 0.00 0.00 0.00 0.00 61.98 60.31 2c9t s VAL 136 Cb 0.00 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 2c9t s VAL 136 CO 0.00 -0.43 -0.15 -0.89 0.00 0.00 0.00 175.10 173.63 2c9t s THR 137 N -2.14 2.86 0.13 3.92 2.01 -1.26 -1.27 115.64 119.88 2c9t s THR 137 Ca 0.08 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.38 2c9t s THR 137 Cb -0.05 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 2c9t s THR 137 CO 0.02 0.53 -0.10 0.00 -0.69 0.00 0.00 174.62 174.39 2c9t s ALA 139 N -3.01 -0.37 -0.02 0.00 0.00 -1.26 -0.70 121.76 116.40 2c9t s ALA 139 Ca 0.13 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.58 2c9t s ALA 139 Cb 0.01 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.85 2c9t s ALA 139 CO 0.00 -0.09 -0.00 0.54 0.00 0.00 0.00 175.76 176.21 2c9t s VAL 140 N 0.27 0.14 0.07 0.00 0.11 -0.42 -4.93 120.40 115.64 2c9t s VAL 140 Ca -0.02 0.04 -0.19 0.00 -2.93 0.00 0.00 61.98 58.89 2c9t s VAL 140 Cb -0.03 -0.21 -0.07 0.00 -1.53 0.00 0.00 36.38 34.55 2c9t s VAL 140 CO -0.01 0.11 0.55 -0.54 -3.33 0.00 0.00 175.10 171.88 2c9t s LYS 141 N 0.68 4.16 -0.01 1.54 1.02 -1.26 -0.69 119.74 125.18 2c9t s LYS 141 Ca -0.06 0.69 0.08 0.00 0.02 0.00 0.00 55.97 56.70 2c9t s LYS 141 Cb -0.09 -3.21 -0.02 0.00 -0.52 0.00 0.00 37.83 33.98 2c9t s LYS 141 CO -0.01 0.63 -0.25 -0.06 -0.92 0.00 0.00 175.35 174.74 2c9t s PHE 142 N -1.13 2.23 0.05 3.18 0.08 0.10 -0.70 117.98 121.79 2c9t s PHE 142 Ca 0.29 -0.42 -0.14 0.00 0.12 0.00 0.00 56.93 56.78 2c9t s PHE 142 Cb -0.19 -1.43 0.05 0.00 -0.57 0.00 0.00 43.02 40.88 2c9t s PHE 142 CO 0.19 -0.02 0.67 0.41 -0.10 0.00 0.00 175.22 176.37 2c9t n GLY 143 N 2.39 0.65 3.78 4.36 0.00 -0.38 -0.68 105.19 115.31 2c9t n GLY 143 Ca -0.16 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 2c9t n GLY 143 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2c9t s SER 144 N -2.54 6.31 0.07 1.61 0.15 -1.26 0.34 113.70 118.39 2c9t s SER 144 Ca 0.15 2.15 0.06 0.00 0.70 0.00 0.00 55.95 59.01 2c9t s SER 144 Cb -0.01 -2.59 -0.23 0.00 -1.71 0.00 0.00 66.02 61.48 2c9t s SER 144 CO 0.02 -0.81 1.11 -0.25 1.20 0.00 0.00 173.24 174.50 2c9t h TRP 145 N 1.99 0.10 0.00 3.44 2.91 -1.90 -3.42 115.95 119.06 2c9t h TRP 145 Ca -0.49 -0.07 0.00 0.00 1.13 0.00 0.00 58.89 59.46 2c9t h TRP 145 Cb 1.24 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.88 2c9t h TRP 145 CO 0.55 1.07 -0.57 1.33 -1.03 0.00 0.00 178.44 179.79 2c9t n VAL 146 N -3.32 0.00 -3.97 2.65 0.24 -1.26 -5.05 118.33 107.62 2c9t n VAL 146 Ca -0.06 -0.13 -0.35 0.00 -2.04 0.00 0.00 64.34 61.77 2c9t n VAL 146 Cb 0.98 0.59 -0.10 0.00 -1.47 0.00 0.00 33.84 33.84 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 -1.39 3.21 1.06 6.34 2.02 -1.26 -5.10 117.35 122.23 2c9t s TYR 147 Ca 0.00 -0.01 -0.15 0.00 -0.37 0.00 0.00 57.07 56.54 2c9t s TYR 147 Cb 0.00 -2.11 0.22 0.00 -0.40 0.00 0.00 41.96 39.67 2c9t s TYR 147 CO 0.00 0.06 1.12 -1.54 -1.57 0.00 0.00 175.55 173.62 2c9t s SER 148 N 0.62 2.19 0.21 2.29 1.04 -1.26 -4.67 113.70 114.13 2c9t s SER 148 Ca 0.03 0.87 0.21 0.00 0.48 0.00 0.00 55.95 57.55 2c9t s SER 148 Cb -0.13 -1.33 0.91 0.00 0.10 0.00 0.00 66.02 65.57 2c9t s SER 148 CO 0.01 -3.36 1.64 0.61 0.98 0.00 0.00 173.24 173.13 2c9t n GLY 149 N -1.44 -1.17 0.00 7.32 0.00 0.33 -0.87 105.19 109.37 2c9t n GLY 149 Ca 0.09 0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.09 0.00 -0.01 1.61 3.72 -1.26 -3.84 117.46 115.58 2c9t n PHE 150 Ca 0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.38 2c9t n PHE 150 Cb 0.19 -0.33 -0.01 0.00 -0.94 0.00 0.00 39.48 38.39 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 -1.33 0.09 -3.96 -1.08 1.02 -0.19 -4.04 120.64 111.15 2c9t n GLU 151 Ca 0.12 0.04 -0.34 0.00 -0.02 0.00 0.00 57.16 56.96 2c9t n GLU 151 Cb 0.25 -0.65 -0.14 0.00 -0.02 0.00 0.00 31.44 30.88 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 -2.09 2.83 -0.05 -3.67 1.01 -0.04 -0.55 121.20 118.62 2c9t s ILE 152 Ca -0.06 -1.22 -0.20 0.00 0.00 0.00 0.00 60.65 59.17 2c9t s ILE 152 Cb 0.02 -2.52 -0.05 0.00 0.01 0.00 0.00 42.46 39.92 2c9t s ILE 152 CO 0.07 0.07 0.59 -0.62 0.00 0.00 0.00 174.94 175.05 2c9t s ASP 153 N 1.27 6.89 -0.24 3.58 2.15 0.71 -3.80 116.67 127.24 2c9t s ASP 153 Ca -0.03 1.06 -0.09 0.00 0.43 0.00 0.00 52.55 53.92 2c9t s ASP 153 Cb -0.18 -2.35 -0.04 0.00 -0.30 0.00 0.00 42.92 40.04 2c9t s ASP 153 CO -0.03 0.02 0.12 -0.76 -0.17 0.00 0.00 175.17 174.35 2c9t s LEU 154 N 0.29 3.86 0.42 -1.34 1.43 -1.26 -0.95 118.68 121.14 2c9t s LEU 154 Ca 0.31 -0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.47 2c9t s LEU 154 Cb -0.17 -2.03 -0.07 0.00 0.03 0.00 0.00 46.19 43.95 2c9t s LEU 154 CO 0.15 0.03 0.06 -0.54 0.23 0.00 0.00 176.35 176.28 2c9t s LYS 155 N 1.24 2.05 0.14 1.70 1.02 0.91 -4.96 119.74 121.84 2c9t s LYS 155 Ca 0.06 -2.07 0.03 0.00 0.02 0.00 0.00 55.97 54.02 2c9t s LYS 155 Cb -0.14 -1.72 -0.04 0.00 -0.52 0.00 0.00 37.83 35.40 2c9t s LYS 155 CO 0.05 -0.10 -0.08 0.95 -0.92 0.00 0.00 175.35 175.25 2c9t s THR 156 N -2.70 1.00 -0.64 2.17 -4.23 -1.26 -0.04 115.64 109.94 2c9t s THR 156 Ca 0.34 -2.02 0.23 0.00 -1.18 0.00 0.00 61.69 59.06 2c9t s THR 156 Cb 0.08 -1.85 -0.14 0.00 1.34 0.00 0.00 72.50 71.93 2c9t s THR 156 CO 0.18 -0.74 0.99 0.47 -0.54 0.00 0.00 174.62 174.98 2c9t n ASP 157 N -0.17 0.62 -3.46 3.99 8.00 -1.26 -4.95 116.55 119.31 2c9t n ASP 157 Ca -0.10 -0.31 -0.10 0.00 0.71 0.00 0.00 54.79 54.98 2c9t n ASP 157 Cb 0.61 0.88 -0.02 0.00 -0.02 0.00 0.00 41.12 42.57 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 -3.18 0.00 -2.40 -3.53 -1.32 -1.26 -5.03 115.64 98.92 2c9t s THR 158 Ca 0.04 -0.02 0.24 0.00 -1.21 0.00 0.00 61.69 60.74 2c9t s THR 158 Cb 0.15 -1.03 0.17 0.00 -1.51 0.00 0.00 72.50 70.28 2c9t s THR 158 CO 0.81 0.00 1.30 -0.90 -2.21 0.00 0.00 174.62 173.62 2c9t n ASP 159 N -0.33 2.17 -4.56 8.08 5.75 -1.26 -4.77 116.55 121.64 2c9t n ASP 159 Ca -0.13 -1.60 -0.41 0.00 -0.01 0.00 0.00 54.79 52.63 2c9t n ASP 159 Cb 0.64 0.20 -0.08 0.00 -1.03 0.00 0.00 41.12 40.84 2c9t n ASP 159 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2c9t s GLN 160 N -2.25 3.62 0.36 0.11 -1.52 -1.26 -0.60 119.66 118.13 2c9t s GLN 160 Ca 0.25 -0.21 -0.28 0.00 -1.95 0.00 0.00 55.36 53.16 2c9t s GLN 160 Cb 0.19 -3.80 -0.11 0.00 -0.22 0.00 0.00 33.01 29.07 2c9t s GLN 160 CO 0.44 -0.60 1.50 0.08 -0.25 0.00 0.00 175.29 176.46 2c9t s VAL 161 N 2.28 2.07 -0.37 1.09 1.01 -0.96 -4.88 120.40 120.64 2c9t s VAL 161 Ca 0.17 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.92 2c9t s VAL 161 Cb -0.16 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.20 2c9t s VAL 161 CO 0.13 0.01 1.13 -0.62 0.00 0.00 0.00 175.10 175.75 2c9t s ASP 162 N -0.03 6.80 0.00 3.32 2.15 -0.62 -4.87 116.67 123.43 2c9t s ASP 162 Ca 0.55 0.89 0.15 0.00 0.43 0.00 0.00 52.55 54.56 2c9t s ASP 162 Cb -0.47 -2.55 0.23 0.00 -0.30 0.00 0.00 42.92 39.84 2c9t s ASP 162 CO 0.60 -1.03 1.12 0.18 -0.17 0.00 0.00 175.17 175.88 2c9t n LEU 163 N 7.29 2.65 0.31 -1.34 4.77 -1.26 -1.78 117.00 127.64 2c9t n LEU 163 Ca 0.12 -1.37 0.19 0.00 -0.03 0.00 0.00 56.01 54.93 2c9t n LEU 163 Cb 0.48 -0.12 1.04 0.00 -2.33 0.00 0.00 43.42 42.48 2c9t n LEU 163 CO 0.64 0.56 1.16 0.77 -1.33 0.00 0.00 177.39 179.19 2c9t h SER 164 N 2.92 0.00 -0.18 -1.43 4.64 -1.89 -0.95 113.55 116.67 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 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2c9t h SER 164 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 2c9t n SER 165 N -3.21 2.42 -4.67 4.97 7.64 -1.26 -5.03 113.62 114.48 2c9t n SER 165 Ca -0.02 -1.72 -0.45 0.00 1.01 0.00 0.00 58.87 57.69 2c9t n SER 165 Cb 0.19 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.25 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 0.59 2.20 -1.67 1.43 9.36 -0.36 -4.67 117.16 124.03 2c9t n TYR 166 Ca 0.09 0.40 -0.42 0.00 3.32 0.00 0.00 57.90 61.29 2c9t n TYR 166 Cb 0.35 -2.48 -0.03 0.00 -0.63 0.00 0.00 39.34 36.56 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 0.12 1.28 -0.18 2.98 5.04 0.90 -4.89 117.35 122.59 2c9t s TYR 167 Ca 0.70 -0.01 0.29 0.00 -2.44 0.00 0.00 57.07 55.61 2c9t s TYR 167 Cb -0.65 -4.10 1.21 0.00 0.35 0.00 0.00 41.96 38.76 2c9t s TYR 167 CO 0.47 -4.83 1.85 0.00 -1.34 0.00 0.00 175.55 171.70 2c9t h ALA 168 N 12.39 1.00 -0.35 3.97 0.00 -1.90 -2.58 119.26 131.80 2c9t h ALA 168 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2c9t h ALA 168 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2c9t h ALA 168 CO 0.95 0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.63 2c9t n SER 169 N -2.63 4.04 -4.57 0.00 7.64 -1.26 -5.00 113.62 111.84 2c9t n SER 169 Ca 0.01 -2.79 -0.40 0.00 1.01 0.00 0.00 58.87 56.71 2c9t n SER 169 Cb 0.25 -0.51 0.03 0.00 -1.01 0.00 0.00 64.21 62.96 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 -0.05 0.52 0.32 6.43 2.88 -0.97 -4.86 113.62 117.88 2c9t n SER 170 Ca 0.21 0.91 0.20 0.00 -1.33 0.00 0.00 58.87 58.86 2c9t n SER 170 Cb 0.85 -1.31 1.09 0.00 -0.75 0.00 0.00 64.21 64.10 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 0.96 0.00 -5.68 -1.46 1.79 -1.92 -3.42 116.57 106.84 2c9t h LYS 171 Ca -0.45 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.40 2c9t h LYS 171 Cb 1.36 0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 31.70 2c9t h LYS 171 CO 0.53 0.00 -0.86 0.71 -1.08 0.00 0.00 179.45 178.75 2c9t s TYR 172 N -4.28 1.98 0.06 -1.35 2.02 -1.26 -0.69 117.35 113.82 2c9t s TYR 172 Ca -0.05 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 56.12 2c9t s TYR 172 Cb 0.13 -1.31 -0.04 0.00 -0.40 0.00 0.00 41.96 40.34 2c9t s TYR 172 CO 0.43 -0.16 0.17 -1.83 -1.57 0.00 0.00 175.55 172.60 2c9t s GLU 173 N -0.13 3.30 -0.20 -0.62 -1.05 -0.13 -4.79 118.70 115.09 2c9t s GLU 173 Ca -0.01 -0.49 -0.20 0.00 -0.15 0.00 0.00 54.97 54.12 2c9t s GLU 173 Cb -0.12 -2.97 -0.03 0.00 -0.44 0.00 0.00 34.13 30.58 2c9t s GLU 173 CO 0.02 0.61 0.58 0.42 0.95 0.00 0.00 175.26 177.84 2c9t s ILE 174 N -1.46 5.06 -0.08 1.83 -1.09 -1.26 -1.90 121.20 122.29 2c9t s ILE 174 Ca 0.33 1.09 -0.14 0.00 -2.23 0.00 0.00 60.65 59.70 2c9t s ILE 174 Cb -0.13 -3.90 -0.29 0.00 -1.58 0.00 0.00 42.46 36.56 2c9t s ILE 174 CO 0.25 0.14 0.60 -0.07 -1.23 0.00 0.00 174.94 174.63 2c9t h LEU 175 N 8.07 0.48 -7.00 2.97 3.38 0.14 -3.48 115.31 119.87 2c9t h LEU 175 Ca -0.32 -0.89 -0.01 0.00 0.09 0.00 0.00 57.88 56.74 2c9t h LEU 175 Cb 1.15 -0.16 -0.13 0.00 0.09 0.00 0.00 40.66 41.61 2c9t h LEU 175 CO 0.76 1.69 0.23 -0.94 0.09 0.00 0.00 178.44 180.28 2c9t s SER 176 N -7.14 -0.56 -0.16 -0.43 1.04 -0.64 -4.98 113.70 100.83 2c9t s SER 176 Ca -0.18 0.10 -0.04 0.00 0.48 0.00 0.00 55.95 56.31 2c9t s SER 176 Cb 0.05 0.57 0.08 0.00 0.10 0.00 0.00 66.02 66.82 2c9t s SER 176 CO 0.80 -0.89 0.24 0.00 0.98 0.00 0.00 173.24 174.37 2c9t s ALA 177 N -3.33 -0.41 0.23 5.32 0.00 -1.26 -0.30 121.76 122.01 2c9t s ALA 177 Ca -0.00 0.59 0.11 0.00 0.00 0.00 0.00 51.96 52.66 2c9t s ALA 177 Cb -0.01 -1.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 2c9t s ALA 177 CO -0.09 -0.91 -0.20 0.95 0.00 0.00 0.00 175.76 175.51 2c9t s THR 178 N 2.37 2.22 -0.26 0.00 -4.23 -0.12 -2.27 115.64 113.35 2c9t s THR 178 Ca 0.05 -2.21 -0.02 0.00 -1.18 0.00 0.00 61.69 58.32 2c9t s THR 178 Cb -0.14 -2.14 0.09 0.00 1.34 0.00 0.00 72.50 71.64 2c9t s THR 178 CO -0.10 -0.35 0.08 0.00 -0.54 0.00 0.00 174.62 173.71 2c9t s GLN 179 N -3.22 0.58 -0.11 3.99 -2.07 0.24 -0.63 119.66 118.44 2c9t s GLN 179 Ca 0.24 -0.72 0.02 0.00 -1.82 0.00 0.00 55.36 53.08 2c9t s GLN 179 Cb -0.05 -1.87 0.01 0.00 -1.09 0.00 0.00 33.01 30.02 2c9t s GLN 179 CO 0.11 -0.87 -0.18 0.99 -1.32 0.00 0.00 175.29 174.02 2c9t s THR 180 N 1.81 1.71 0.05 3.63 2.01 -0.44 -4.11 115.64 120.30 2c9t s THR 180 Ca 0.06 -0.78 -0.31 0.00 0.31 0.00 0.00 61.69 60.97 2c9t s THR 180 Cb -0.17 -1.53 -0.07 0.00 0.01 0.00 0.00 72.50 70.73 2c9t s THR 180 CO -0.21 0.48 1.54 -0.60 -0.69 0.00 0.00 174.62 175.14 2c9t s ARG 181 N 0.84 4.23 -0.05 4.92 3.52 -1.26 0.11 118.95 131.27 2c9t s ARG 181 Ca -0.09 2.19 0.06 0.00 -0.13 0.00 0.00 55.73 57.76 2c9t s ARG 181 Cb -0.15 -3.55 -0.02 0.00 -1.56 0.00 0.00 34.95 29.67 2c9t s ARG 181 CO -0.00 -0.66 -0.23 -0.65 -0.81 0.00 0.00 175.30 172.95 2c9t s GLN 182 N 2.42 2.47 -0.22 5.12 -0.21 0.05 -4.96 119.66 124.33 2c9t s GLN 182 Ca 0.70 -0.87 -0.04 0.00 0.02 0.00 0.00 55.36 55.17 2c9t s GLN 182 Cb -0.37 -2.19 -0.01 0.00 1.00 0.00 0.00 33.01 31.45 2c9t s GLN 182 CO 0.30 0.46 -0.04 0.08 -2.12 0.00 0.00 175.29 173.96 2c9t s VAL 183 N -0.34 3.37 0.03 1.09 1.01 -1.26 -1.72 120.40 122.58 2c9t s VAL 183 Ca 0.02 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.55 2c9t s VAL 183 Cb -0.12 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2c9t s VAL 183 CO 0.02 0.42 -0.09 -1.58 0.00 0.00 0.00 175.10 173.87 2c9t s GLN 184 N 1.47 2.39 0.01 2.72 0.74 0.83 -4.95 119.66 122.86 2c9t s GLN 184 Ca 0.06 -0.83 0.06 0.00 0.05 0.00 0.00 55.36 54.70 2c9t s GLN 184 Cb -0.14 -2.41 -0.02 0.00 1.10 0.00 0.00 33.01 31.54 2c9t s GLN 184 CO -0.03 0.57 -0.17 -1.01 -0.55 0.00 0.00 175.29 174.10 2c9t s HIS 185 N -1.03 1.55 0.02 1.67 3.76 -1.26 -0.59 115.29 119.41 2c9t s HIS 185 Ca 0.18 -0.32 0.02 0.00 -0.15 0.00 0.00 55.06 54.79 2c9t s HIS 185 Cb -0.11 -0.97 -0.04 0.00 1.11 0.00 0.00 32.58 32.58 2c9t s HIS 185 CO 0.09 0.01 -0.00 0.71 -0.85 0.00 0.00 174.74 174.69 2c9t s TYR 186 N -0.56 3.05 0.29 1.40 2.02 -1.26 -5.04 117.35 117.25 2c9t s TYR 186 Ca 0.06 0.05 -0.02 0.00 -0.37 0.00 0.00 57.07 56.79 2c9t s TYR 186 Cb -0.07 -1.64 0.42 0.00 -0.40 0.00 0.00 41.96 40.27 2c9t s TYR 186 CO 0.00 0.46 1.93 0.66 -1.57 0.00 0.00 175.55 177.03 2c9t h SER 187 N 4.15 0.92 -1.10 2.29 4.64 -2.00 -2.39 113.55 120.06 2c9t h SER 187 Ca -0.49 -0.06 0.30 0.00 -0.47 0.00 0.00 61.79 61.08 2c9t h SER 187 Cb 1.17 -0.23 -0.09 0.00 -0.31 0.00 0.00 62.40 62.94 2c9t h SER 187 CO 0.58 0.71 0.72 0.00 -0.87 0.00 0.00 176.83 177.97 2c9t h PRO 190 N 6.47 0.00 -6.80 0.00 0.13 -1.89 -3.40 132.00 126.51 2c9t h PRO 190 Ca -0.33 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.32 2c9t h PRO 190 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2c9t h PRO 190 CO 0.49 0.26 0.37 -1.83 -0.23 0.00 0.00 178.00 177.06 2c9t s GLU 191 N -3.58 4.72 0.49 0.86 1.03 -1.26 -5.05 118.70 115.91 2c9t s GLU 191 Ca 0.01 1.51 -0.10 0.00 0.03 0.00 0.00 54.97 56.42 2c9t s GLU 191 Cb 0.10 -3.11 -0.05 0.00 -0.80 0.00 0.00 34.13 30.27 2c9t s GLU 191 CO 0.65 0.37 0.87 -1.25 -1.33 0.00 0.00 175.26 174.57 2c9t s PRO 192 N -1.51 3.70 -0.22 -4.83 0.04 -1.26 -4.68 135.00 126.24 2c9t s PRO 192 Ca 0.45 0.54 -0.00 0.00 0.04 0.00 0.00 61.00 62.02 2c9t s PRO 192 Cb -0.25 -2.28 0.02 0.00 0.04 0.00 0.00 34.50 32.04 2c9t s PRO 192 CO 0.31 -0.24 -0.12 0.71 0.04 0.00 0.00 177.00 177.70 2c9t s TYR 193 N -2.70 2.95 -0.07 0.56 2.02 0.25 -0.51 117.35 119.85 2c9t s TYR 193 Ca 0.52 -1.58 0.05 0.00 -0.37 0.00 0.00 57.07 55.69 2c9t s TYR 193 Cb -0.10 -2.00 -0.02 0.00 -0.40 0.00 0.00 41.96 39.45 2c9t s TYR 193 CO 0.40 -0.75 -0.21 0.42 -1.57 0.00 0.00 175.55 173.85 2c9t s ILE 194 N 1.31 2.45 0.14 2.71 1.01 -1.26 -0.12 121.20 127.44 2c9t s ILE 194 Ca 0.02 -0.92 -0.01 0.00 0.00 0.00 0.00 60.65 59.74 2c9t s ILE 194 Cb -0.15 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 2c9t s ILE 194 CO -0.08 0.57 0.06 1.51 0.00 0.00 0.00 174.94 177.00 2c9t s ASP 195 N -0.22 0.33 -0.24 3.58 1.47 -0.70 -4.67 116.67 116.23 2c9t s ASP 195 Ca -0.01 -1.22 -0.03 0.00 1.18 0.00 0.00 52.55 52.47 2c9t s ASP 195 Cb -0.13 0.29 0.01 0.00 -0.34 0.00 0.00 42.92 42.75 2c9t s ASP 195 CO 0.03 -0.73 -0.05 -0.69 0.68 0.00 0.00 175.17 174.41 2c9t s VAL 196 N -4.04 3.08 -0.36 2.11 1.01 0.14 -0.77 120.40 121.57 2c9t s VAL 196 Ca 0.25 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 2c9t s VAL 196 Cb 0.07 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.97 2c9t s VAL 196 CO 0.03 0.31 0.63 0.21 0.00 0.00 0.00 175.10 176.28 2c9t s ASN 197 N 1.40 6.42 -0.55 3.32 2.47 0.12 -0.72 114.94 127.40 2c9t s ASN 197 Ca 0.03 0.14 -0.20 0.00 0.42 0.00 0.00 52.86 53.25 2c9t s ASN 197 Cb -0.15 -2.33 0.07 0.00 -1.45 0.00 0.00 41.25 37.39 2c9t s ASN 197 CO -0.04 -0.59 0.72 -0.22 -3.72 0.00 0.00 177.10 173.25 2c9t s LEU 198 N 2.70 4.86 -0.25 3.21 2.96 0.14 -1.32 118.68 130.98 2c9t s LEU 198 Ca 0.24 -0.94 -0.06 0.00 -0.22 0.00 0.00 54.13 53.16 2c9t s LEU 198 Cb -0.14 -2.47 -0.01 0.00 0.50 0.00 0.00 46.19 44.06 2c9t s LEU 198 CO 0.15 -1.04 0.02 -0.69 -1.32 0.00 0.00 176.35 173.47 2c9t s VAL 199 N 2.98 3.83 -0.11 1.68 1.01 0.20 -1.31 120.40 128.69 2c9t s VAL 199 Ca 0.17 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.75 2c9t s VAL 199 Cb -0.19 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.38 2c9t s VAL 199 CO 0.12 0.31 -0.20 -0.69 0.00 0.00 0.00 175.10 174.64 2c9t s VAL 200 N 1.53 1.81 -0.19 2.92 1.01 0.12 -0.94 120.40 126.65 2c9t s VAL 200 Ca 0.05 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 2c9t s VAL 200 Cb -0.15 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 2c9t s VAL 200 CO 0.00 0.50 -0.07 -0.75 0.00 0.00 0.00 175.10 174.79 2c9t s LYS 201 N 0.69 3.38 0.14 2.72 2.20 0.59 -0.96 119.74 128.50 2c9t s LYS 201 Ca -0.12 -0.64 -0.11 0.00 -0.36 0.00 0.00 55.97 54.74 2c9t s LYS 201 Cb -0.16 -2.90 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 2c9t s LYS 201 CO 0.02 -0.08 0.30 -0.59 -0.36 0.00 0.00 175.35 174.65 2c9t s PHE 202 N 1.14 0.16 0.12 4.03 -0.12 -0.40 0.88 117.98 123.81 2c9t s PHE 202 Ca 0.02 -0.54 -0.08 0.00 -0.05 0.00 0.00 56.93 56.27 2c9t s PHE 202 Cb -0.14 0.05 -0.01 0.00 -0.63 0.00 0.00 43.02 42.29 2c9t s PHE 202 CO -0.02 -0.69 0.22 -0.98 -0.05 0.00 0.00 175.22 173.71 2c9t s ARG 203 N -3.90 0.98 0.35 1.99 1.70 -0.80 0.13 118.95 119.40 2c9t s ARG 203 Ca 0.10 -1.07 -0.27 0.00 -0.47 0.00 0.00 55.73 54.02 2c9t s ARG 203 Cb 0.03 0.35 -0.12 0.00 -0.57 0.00 0.00 34.95 34.64 2c9t s ARG 203 CO -0.06 -0.33 1.08 0.39 -1.08 0.00 0.00 175.30 175.30 2c9t n GLU 204 N -0.13 1.54 0.00 3.89 1.02 0.14 -0.95 120.64 126.15 2c9t n GLU 204 Ca -0.11 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 2c9t n GLU 204 Cb 0.63 -2.03 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2c9t n GLU 204 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18