#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fsx s TYR 3 N 0.00 2.32 0.20 7.33 -0.85 -1.26 -4.96 117.35 120.13 2fsx s TYR 3 Ca 0.00 1.27 0.03 0.00 -0.52 0.00 0.00 57.07 57.85 2fsx s TYR 3 Cb 0.00 -3.16 0.12 0.00 0.38 0.00 0.00 41.96 39.30 2fsx s TYR 3 CO 0.00 -2.37 1.47 0.00 -1.52 0.00 0.00 175.55 173.13 2fsx h ALA 4 N -1.53 0.68 0.00 9.51 0.00 -1.38 -3.48 119.26 123.06 2fsx h ALA 4 Ca -0.49 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 53.79 2fsx h ALA 4 Cb 1.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2fsx h ALA 4 CO 0.54 0.81 0.00 0.41 0.00 0.00 0.00 179.25 181.01 2fsx n GLY 5 N 0.56 1.99 3.78 0.00 0.00 -1.24 -5.02 105.19 105.25 2fsx n GLY 5 Ca -0.03 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 2fsx n GLY 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2fsx s ASP 6 N 0.00 6.61 0.07 1.61 1.01 -1.26 -1.05 116.67 123.65 2fsx s ASP 6 Ca 0.00 0.73 0.05 0.00 0.71 0.00 0.00 52.55 54.04 2fsx s ASP 6 Cb 0.00 -2.21 -0.03 0.00 1.01 0.00 0.00 42.92 41.69 2fsx s ASP 6 CO 0.00 0.20 -0.14 0.27 0.21 0.00 0.00 175.17 175.71 2fsx s ILE 7 N -0.24 1.13 0.74 0.77 -4.36 0.02 -4.93 121.20 114.33 2fsx s ILE 7 Ca 0.21 -1.25 -0.11 0.00 -0.26 0.00 0.00 60.65 59.23 2fsx s ILE 7 Cb -0.15 -1.07 0.03 0.00 1.25 0.00 0.00 42.46 42.53 2fsx s ILE 7 CO 0.08 -0.18 1.10 0.42 0.24 0.00 0.00 174.94 176.60 2fsx s THR 8 N -1.19 3.34 0.19 8.37 -4.23 -1.26 -0.13 115.64 120.72 2fsx s THR 8 Ca -0.01 0.44 -0.13 0.00 -1.18 0.00 0.00 61.69 60.80 2fsx s THR 8 Cb -0.10 -3.35 0.13 0.00 1.34 0.00 0.00 72.50 70.53 2fsx s THR 8 CO 0.02 -0.57 1.68 -0.65 -0.54 0.00 0.00 174.62 174.56 2fsx h PRO 9 N -0.80 0.11 -0.55 3.99 0.11 -1.92 0.18 132.00 133.13 2fsx h PRO 9 Ca -0.46 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 2fsx h PRO 9 Cb 1.26 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 2fsx h PRO 9 CO 0.62 0.08 0.15 -0.07 -0.21 0.00 0.00 178.00 178.57 2fsx h LEU 10 N 0.12 0.77 -0.87 2.35 3.38 -1.96 -1.03 115.31 118.07 2fsx h LEU 10 Ca 0.26 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2fsx h LEU 10 Cb 0.39 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2fsx h LEU 10 CO -0.42 0.75 0.20 1.56 0.09 0.00 0.00 178.44 180.62 2fsx h GLN 11 N 0.80 1.04 -0.31 1.13 4.20 -1.76 -0.34 115.11 119.87 2fsx h GLN 11 Ca 0.18 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 2fsx h GLN 11 Cb 0.27 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2fsx h GLN 11 CO -0.00 0.89 0.18 0.00 -0.67 0.00 0.00 178.83 179.23 2fsx h ALA 12 N 1.22 0.39 -0.34 3.87 0.00 -0.39 0.83 119.26 124.84 2fsx h ALA 12 Ca 0.22 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2fsx h ALA 12 Cb 0.29 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2fsx h ALA 12 CO -0.01 -0.10 0.18 2.35 0.00 0.00 0.00 179.25 181.68 2fsx h TRP 13 N 0.39 0.34 -0.47 0.00 2.91 -0.94 -0.78 115.95 117.40 2fsx h TRP 13 Ca 0.11 0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.16 2fsx h TRP 13 Cb 0.02 -0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 28.54 2fsx h TRP 13 CO -0.04 0.19 0.29 1.49 -1.03 0.00 0.00 178.44 179.34 2fsx h GLU 14 N 0.38 0.57 -0.77 2.65 4.81 -0.82 -0.06 114.58 121.34 2fsx h GLU 14 Ca 0.14 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2fsx h GLU 14 Cb 0.04 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 2fsx h GLU 14 CO -0.09 0.38 0.45 1.98 -0.73 0.00 0.00 179.01 181.00 2fsx h MET 15 N 0.59 1.05 -0.62 1.92 4.05 -0.50 -0.61 114.93 120.81 2fsx h MET 15 Ca 0.18 -0.10 -0.05 0.00 -0.28 0.00 0.00 59.70 59.45 2fsx h MET 15 Cb -0.02 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 30.54 2fsx h MET 15 CO -0.07 0.76 0.21 -0.07 0.23 0.00 0.00 176.91 177.97 2fsx h LEU 16 N 1.06 0.88 -1.26 3.39 3.38 -0.56 -2.61 115.31 119.58 2fsx h LEU 16 Ca 0.27 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2fsx h LEU 16 Cb -0.02 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2fsx h LEU 16 CO -0.05 0.85 -0.31 -1.28 0.09 0.00 0.00 178.44 177.73 2fsx h SER 17 N 0.87 0.00 0.64 -0.43 0.87 -0.55 -3.04 113.55 111.92 2fsx h SER 17 Ca 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2fsx h SER 17 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2fsx h SER 17 CO -0.01 0.31 -0.61 0.47 -0.53 0.00 0.00 176.83 176.47 2fsx n ASP 18 N -3.71 0.58 -3.57 6.23 8.00 -0.28 -4.74 116.55 119.07 2fsx n ASP 18 Ca -0.01 -0.09 -0.29 0.00 0.71 0.00 0.00 54.79 55.11 2fsx n ASP 18 Cb 0.41 0.27 -0.13 0.00 -0.02 0.00 0.00 41.12 41.65 2fsx n ASP 18 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2fsx s ASN 19 N -3.58 3.40 0.56 -2.24 0.01 -1.01 -5.02 114.94 107.07 2fsx s ASN 19 Ca 0.08 -1.92 0.29 0.00 -0.71 0.00 0.00 52.86 50.60 2fsx s ASN 19 Cb 0.16 -0.56 1.47 0.00 0.41 0.00 0.00 41.25 42.73 2fsx s ASN 19 CO 0.72 -0.36 1.93 -0.65 -1.51 0.00 0.00 177.10 177.23 2fsx h PRO 20 N 7.53 0.00 -0.02 -0.60 0.11 -1.85 0.51 132.00 137.68 2fsx h PRO 20 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2fsx h PRO 20 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2fsx h PRO 20 CO 0.38 0.00 -0.14 0.54 -0.21 0.00 0.00 178.00 178.57 2fsx n ARG 21 N -3.99 1.64 -1.96 1.05 1.74 -1.26 -4.95 116.66 108.93 2fsx n ARG 21 Ca 0.10 -1.19 -0.37 0.00 -0.77 0.00 0.00 57.85 55.63 2fsx n ARG 21 Cb 0.70 -1.48 0.03 0.00 -1.02 0.00 0.00 32.46 30.69 2fsx n ARG 21 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2fsx s ALA 22 N -2.18 2.68 -0.09 7.54 0.00 0.17 -3.30 121.76 126.58 2fsx s ALA 22 Ca 0.29 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.40 2fsx s ALA 22 Cb 0.20 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2fsx s ALA 22 CO 0.40 -1.19 -0.20 0.08 0.00 0.00 0.00 175.76 174.86 2fsx s VAL 23 N -1.48 1.73 -0.24 0.00 1.01 -0.37 -4.97 120.40 116.09 2fsx s VAL 23 Ca 0.74 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 2fsx s VAL 23 Cb -0.34 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 2fsx s VAL 23 CO 0.38 0.49 0.25 -0.22 0.00 0.00 0.00 175.10 176.00 2fsx s LEU 24 N 0.44 4.11 -0.29 3.92 2.96 -1.26 -0.53 118.68 128.03 2fsx s LEU 24 Ca -0.17 0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.93 2fsx s LEU 24 Cb -0.17 -2.26 0.03 0.00 0.50 0.00 0.00 46.19 44.29 2fsx s LEU 24 CO 0.07 -0.02 0.03 -0.69 -1.32 0.00 0.00 176.35 174.42 2fsx s VAL 25 N 1.33 3.37 -0.43 1.68 1.01 0.14 -1.40 120.40 126.10 2fsx s VAL 25 Ca 0.11 -1.06 -0.23 0.00 0.00 0.00 0.00 61.98 60.81 2fsx s VAL 25 Cb -0.14 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.44 2fsx s VAL 25 CO 0.07 0.01 0.78 -0.62 0.00 0.00 0.00 175.10 175.33 2fsx s ASP 26 N 1.37 6.44 -0.11 3.32 -1.08 -0.05 -1.27 116.67 125.29 2fsx s ASP 26 Ca -0.01 -0.01 0.17 0.00 -0.52 0.00 0.00 52.55 52.18 2fsx s ASP 26 Cb -0.18 -2.38 0.62 0.00 -1.46 0.00 0.00 42.92 39.51 2fsx s ASP 26 CO -0.00 -0.87 1.53 1.33 0.52 0.00 0.00 175.17 177.68 2fsx n VAL 27 N 6.05 1.80 -1.16 1.11 0.24 -0.25 -2.44 118.33 123.67 2fsx n VAL 27 Ca 0.02 -1.30 -0.29 0.00 -2.04 0.00 0.00 64.34 60.74 2fsx n VAL 27 Cb 0.48 0.11 0.16 0.00 -1.47 0.00 0.00 33.84 33.13 2fsx n VAL 27 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2fsx s ARG 28 N -1.90 0.81 0.69 7.34 0.52 -1.25 -0.59 118.95 124.58 2fsx s ARG 28 Ca 0.45 0.69 -0.11 0.00 -0.52 0.00 0.00 55.73 56.24 2fsx s ARG 28 Cb 0.30 -1.77 0.01 0.00 0.52 0.00 0.00 34.95 34.01 2fsx s ARG 28 CO 0.20 -2.52 1.06 0.00 0.02 0.00 0.00 175.30 174.07 2fsx h GLU 30 N -0.67 0.53 -0.53 0.00 4.81 -1.92 -0.87 114.58 115.93 2fsx h GLU 30 Ca -0.44 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 58.69 2fsx h GLU 30 Cb 1.22 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 2fsx h GLU 30 CO 0.59 0.35 0.07 0.00 -0.73 0.00 0.00 179.01 179.30 2fsx h ALA 31 N 1.63 1.13 -0.23 2.92 0.00 -1.94 -0.81 119.26 121.96 2fsx h ALA 31 Ca 0.39 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2fsx h ALA 31 Cb 0.74 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2fsx h ALA 31 CO -0.15 0.57 -0.19 0.93 0.00 0.00 0.00 179.25 180.41 2fsx h GLU 32 N 0.80 0.54 -0.67 0.00 5.08 -1.54 0.26 114.58 119.04 2fsx h GLU 32 Ca 0.17 -0.27 0.12 0.00 -1.00 0.00 0.00 59.36 58.38 2fsx h GLU 32 Cb 0.38 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.54 2fsx h GLU 32 CO 0.01 0.85 0.22 -1.49 -1.00 0.00 0.00 179.01 177.60 2fsx h TRP 33 N 0.24 0.37 0.08 4.33 6.55 -1.06 -0.98 115.95 125.47 2fsx h TRP 33 Ca 0.04 0.04 -0.00 0.00 0.95 0.00 0.00 58.89 59.91 2fsx h TRP 33 Cb 0.73 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 28.97 2fsx h TRP 33 CO 0.07 0.03 -0.04 -0.09 -1.05 0.00 0.00 178.44 177.37 2fsx h ARG 34 N 0.36 -0.10 0.00 0.49 2.43 -1.04 -3.06 114.38 113.47 2fsx h ARG 34 Ca 0.36 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.53 2fsx h ARG 34 Cb 0.53 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2fsx h ARG 34 CO -0.39 0.44 -1.28 1.19 -1.51 0.00 0.00 179.97 178.42 2fsx n PHE 35 N -4.85 0.72 -0.12 2.20 3.72 0.07 -4.42 117.46 114.78 2fsx n PHE 35 Ca -0.08 0.21 -0.25 0.00 -0.05 0.00 0.00 57.45 57.28 2fsx n PHE 35 Cb 0.29 -0.85 -0.08 0.00 -0.94 0.00 0.00 39.48 37.90 2fsx n PHE 35 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2fsx n VAL 36 N -2.58 1.38 0.00 -4.37 0.31 -0.41 -5.06 118.33 107.60 2fsx n VAL 36 Ca -0.02 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 2fsx n VAL 36 Cb 0.57 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 2fsx n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2fsx n GLY 37 N 1.47 0.96 3.08 2.92 0.00 -1.00 -4.75 105.19 107.87 2fsx n GLY 37 Ca -0.45 -2.09 -0.08 0.00 0.00 0.00 0.00 46.02 43.40 2fsx n GLY 37 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2fsx s VAL 38 N -1.01 0.16 0.69 1.61 -7.23 0.00 -4.38 120.40 110.24 2fsx s VAL 38 Ca 0.00 -1.32 -0.15 0.00 -1.81 0.00 0.00 61.98 58.69 2fsx s VAL 38 Cb 0.00 -1.00 0.02 0.00 0.56 0.00 0.00 36.38 35.96 2fsx s VAL 38 CO 0.00 -0.73 1.17 -2.16 -0.31 0.00 0.00 175.10 173.07 2fsx s PRO 39 N -2.89 2.44 -0.21 4.82 0.04 -1.26 -1.01 135.00 136.93 2fsx s PRO 39 Ca -0.03 1.63 0.01 0.00 0.04 0.00 0.00 61.00 62.65 2fsx s PRO 39 Cb 0.00 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.71 2fsx s PRO 39 CO -0.06 -1.57 -0.09 0.34 0.04 0.00 0.00 177.00 175.66 2fsx s ASP 40 N -2.19 3.56 -0.01 6.66 -1.08 -0.54 -4.74 116.67 118.33 2fsx s ASP 40 Ca 0.72 -0.99 0.19 0.00 -0.52 0.00 0.00 52.55 51.95 2fsx s ASP 40 Cb -0.26 -1.22 0.56 0.00 -1.46 0.00 0.00 42.92 40.55 2fsx s ASP 40 CO 0.43 -0.18 1.47 0.18 0.52 0.00 0.00 175.17 177.59 2fsx n LEU 41 N 4.68 3.75 -0.09 -1.34 4.77 -1.26 -4.63 117.00 122.88 2fsx n LEU 41 Ca -0.14 -2.04 0.12 0.00 -0.03 0.00 0.00 56.01 53.93 2fsx n LEU 41 Cb 0.46 -0.43 0.50 0.00 -2.33 0.00 0.00 43.42 41.61 2fsx n LEU 41 CO 0.19 0.91 1.19 0.77 -1.33 0.00 0.00 177.39 179.12 2fsx h SER 42 N 3.68 0.37 0.70 -1.43 4.64 -1.95 0.40 113.55 119.96 2fsx h SER 42 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2fsx h SER 42 Cb 0.96 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2fsx h SER 42 CO 0.02 0.22 0.00 -1.54 -0.87 0.00 0.00 176.83 174.66 2fsx n SER 43 N -4.47 0.29 -1.00 4.97 3.41 -1.26 -1.44 113.62 114.11 2fsx n SER 43 Ca 0.10 0.56 0.08 0.00 -0.26 0.00 0.00 58.87 59.36 2fsx n SER 43 Cb 0.38 -0.63 0.24 0.00 -0.26 0.00 0.00 64.21 63.94 2fsx n SER 43 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2fsx n LEU 44 N -1.81 3.53 -2.63 1.04 4.77 0.14 -4.97 117.00 117.07 2fsx n LEU 44 Ca 0.04 -2.11 -0.21 0.00 -0.03 0.00 0.00 56.01 53.70 2fsx n LEU 44 Cb 0.23 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2fsx n LEU 44 CO 0.18 0.83 -0.17 0.61 -1.33 0.00 0.00 177.39 177.51 2fsx n GLY 45 N 0.91 -0.51 3.20 -0.72 0.00 -0.52 -4.98 105.19 102.56 2fsx n GLY 45 Ca 0.18 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 2fsx n GLY 45 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2fsx s ARG 46 N -5.28 1.18 0.07 1.61 1.70 -1.15 -5.03 118.95 112.05 2fsx s ARG 46 Ca 0.11 -1.61 0.03 0.00 -0.47 0.00 0.00 55.73 53.79 2fsx s ARG 46 Cb -0.05 0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 34.56 2fsx s ARG 46 CO 0.13 -0.38 0.04 -1.21 -1.08 0.00 0.00 175.30 172.81 2fsx s GLU 47 N -4.15 2.75 0.41 3.89 0.41 -1.26 -3.77 118.70 116.98 2fsx s GLU 47 Ca 0.37 -0.73 -0.24 0.00 -0.41 0.00 0.00 54.97 53.96 2fsx s GLU 47 Cb 0.07 -2.66 -0.09 0.00 -1.78 0.00 0.00 34.13 29.68 2fsx s GLU 47 CO 0.11 0.56 1.09 0.08 -0.49 0.00 0.00 175.26 176.62 2fsx s VAL 48 N -1.32 3.52 -0.22 2.63 1.01 -1.26 -4.74 120.40 120.01 2fsx s VAL 48 Ca 0.27 1.18 -0.10 0.00 0.00 0.00 0.00 61.98 63.32 2fsx s VAL 48 Cb -0.12 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 2fsx s VAL 48 CO 0.19 0.02 0.14 -0.69 0.00 0.00 0.00 175.10 174.77 2fsx s VAL 49 N -1.59 5.35 -0.24 2.92 1.01 -0.49 -5.00 120.40 122.36 2fsx s VAL 49 Ca 0.59 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.70 2fsx s VAL 49 Cb -0.25 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2fsx s VAL 49 CO 0.31 0.39 -0.02 -0.31 0.00 0.00 0.00 175.10 175.47 2fsx s TYR 50 N 0.71 3.03 -0.15 5.22 2.02 -1.26 -0.87 117.35 126.05 2fsx s TYR 50 Ca 0.08 -1.10 -0.04 0.00 -0.37 0.00 0.00 57.07 55.63 2fsx s TYR 50 Cb -0.12 -2.13 0.07 0.00 -0.40 0.00 0.00 41.96 39.38 2fsx s TYR 50 CO 0.01 -0.60 0.24 0.08 -1.57 0.00 0.00 175.55 173.72 2fsx s VAL 51 N 1.44 -0.38 0.08 0.71 1.01 -1.02 -5.01 120.40 117.23 2fsx s VAL 51 Ca 0.04 0.16 -0.31 0.00 0.00 0.00 0.00 61.98 61.87 2fsx s VAL 51 Cb -0.15 -0.51 -0.07 0.00 0.00 0.00 0.00 36.38 35.64 2fsx s VAL 51 CO -0.02 0.02 1.37 -1.61 0.00 0.00 0.00 175.10 174.85 2fsx s GLU 52 N 2.38 4.33 -0.10 2.72 2.02 -1.26 -4.07 118.70 124.72 2fsx s GLU 52 Ca 0.04 2.00 -0.19 0.00 0.02 0.00 0.00 54.97 56.84 2fsx s GLU 52 Cb -0.13 -3.35 -0.16 0.00 0.10 0.00 0.00 34.13 30.59 2fsx s GLU 52 CO -0.10 -0.45 0.63 2.35 0.02 0.00 0.00 175.26 177.72 2fsx h TRP 53 N 7.07 -0.07 -3.58 1.61 2.91 -1.08 -3.42 115.95 119.40 2fsx h TRP 53 Ca -0.41 -0.00 -0.68 0.00 1.13 0.00 0.00 58.89 58.93 2fsx h TRP 53 Cb 1.20 0.02 -0.17 0.00 -0.51 0.00 0.00 29.16 29.70 2fsx h TRP 53 CO 0.68 0.48 -0.69 0.00 -1.03 0.00 0.00 178.44 177.88 2fsx s ALA 54 N -2.86 3.05 0.92 2.65 0.00 -1.26 -0.24 121.76 124.01 2fsx s ALA 54 Ca -0.12 -0.99 -0.15 0.00 0.00 0.00 0.00 51.96 50.71 2fsx s ALA 54 Cb -0.01 -1.18 0.16 0.00 0.00 0.00 0.00 23.12 22.10 2fsx s ALA 54 CO 0.45 0.61 1.28 0.95 0.00 0.00 0.00 175.76 179.05 2fsx s THR 55 N -0.97 2.00 -0.54 0.00 -4.23 0.22 -3.81 115.64 108.31 2fsx s THR 55 Ca 0.16 -0.00 0.23 0.00 -1.18 0.00 0.00 61.69 60.90 2fsx s THR 55 Cb -0.11 -3.00 0.23 0.00 1.34 0.00 0.00 72.50 70.96 2fsx s THR 55 CO 0.07 0.00 1.68 -1.20 -0.54 0.00 0.00 174.62 174.63 2fsx n SER 56 N -3.63 0.59 -0.04 3.99 7.64 -1.26 -0.33 113.62 120.59 2fsx n SER 56 Ca 0.13 0.65 0.15 0.00 1.01 0.00 0.00 58.87 60.81 2fsx n SER 56 Cb 0.60 -0.77 0.78 0.00 -1.01 0.00 0.00 64.21 63.80 2fsx n SER 56 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2fsx n ASP 57 N -2.15 0.13 0.00 6.43 5.75 -1.26 -4.92 116.55 120.53 2fsx n ASP 57 Ca 0.02 -0.50 0.00 0.00 -0.01 0.00 0.00 54.79 54.30 2fsx n ASP 57 Cb 0.22 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 2fsx n ASP 57 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2fsx n GLY 58 N 1.20 0.70 3.91 6.12 0.00 0.56 -5.07 105.19 112.61 2fsx n GLY 58 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2fsx n GLY 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fsx s THR 59 N -2.78 5.15 0.39 2.61 -4.23 -1.25 -4.78 115.64 110.74 2fsx s THR 59 Ca 0.00 -0.14 -0.27 0.00 -1.18 0.00 0.00 61.69 60.10 2fsx s THR 59 Cb 0.00 -3.70 -0.10 0.00 1.34 0.00 0.00 72.50 70.05 2fsx s THR 59 CO 0.00 -0.14 1.36 -2.28 -0.54 0.00 0.00 174.62 173.01 2fsx s HIS 60 N -1.86 2.79 -0.69 3.99 5.65 -1.26 -0.61 115.29 123.30 2fsx s HIS 60 Ca 0.41 1.35 -0.27 0.00 0.25 0.00 0.00 55.06 56.79 2fsx s HIS 60 Cb -0.11 -3.77 0.03 0.00 -1.18 0.00 0.00 32.58 27.54 2fsx s HIS 60 CO 0.28 -2.31 1.29 1.21 -0.65 0.00 0.00 174.74 174.55 2fsx s ASN 61 N -0.52 6.20 0.00 9.88 2.47 0.66 -4.73 114.94 128.89 2fsx s ASN 61 Ca 0.54 -0.26 0.18 0.00 0.42 0.00 0.00 52.86 53.75 2fsx s ASN 61 Cb -0.41 -2.56 1.10 0.00 -1.45 0.00 0.00 41.25 37.93 2fsx s ASN 61 CO 0.54 -1.77 1.50 0.47 -3.72 0.00 0.00 177.10 174.12 2fsx n ASP 62 N 9.29 0.00 -1.04 -4.21 8.00 -1.26 -1.73 116.55 125.59 2fsx n ASP 62 Ca 0.05 -0.66 0.08 0.00 0.71 0.00 0.00 54.79 54.97 2fsx n ASP 62 Cb 0.49 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.84 2fsx n ASP 62 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2fsx n ASN 63 N -0.96 3.64 -0.11 -2.24 3.02 -1.26 -4.77 115.26 112.58 2fsx n ASN 63 Ca 0.14 -2.16 -0.06 0.00 -0.03 0.00 0.00 54.58 52.47 2fsx n ASN 63 Cb 0.06 -0.40 0.01 0.00 -0.61 0.00 0.00 39.78 38.85 2fsx n ASN 63 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2fsx h PHE 64 N 3.05 -0.45 -0.41 3.10 3.57 -1.62 -1.28 116.94 122.91 2fsx h PHE 64 Ca 0.00 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 2fsx h PHE 64 Cb 0.99 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 2fsx h PHE 64 CO 0.42 -0.26 0.19 1.25 -2.23 0.00 0.00 178.31 177.69 2fsx h LEU 65 N -0.11 0.53 -0.55 0.59 5.85 -1.86 0.15 115.31 119.92 2fsx h LEU 65 Ca 0.19 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2fsx h LEU 65 Cb 0.40 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 2fsx h LEU 65 CO -0.45 0.51 0.35 0.00 -0.34 0.00 0.00 178.44 178.51 2fsx h ALA 66 N 1.04 0.70 -0.40 1.25 0.00 -1.84 -0.72 119.26 119.29 2fsx h ALA 66 Ca 0.14 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2fsx h ALA 66 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2fsx h ALA 66 CO -0.02 0.16 0.04 0.93 0.00 0.00 0.00 179.25 180.37 2fsx h GLU 67 N 0.75 0.67 -0.17 0.00 5.08 -0.97 -1.60 114.58 118.33 2fsx h GLU 67 Ca 0.20 -0.19 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2fsx h GLU 67 Cb -0.05 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2fsx h GLU 67 CO -0.04 0.74 -0.05 1.25 -1.00 0.00 0.00 179.01 179.91 2fsx h LEU 68 N 0.52 -0.17 -1.20 1.33 5.85 -0.42 1.00 115.31 122.21 2fsx h LEU 68 Ca 0.12 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 2fsx h LEU 68 Cb 0.41 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2fsx h LEU 68 CO 0.01 -0.06 0.05 0.03 -0.34 0.00 0.00 178.44 178.13 2fsx h ARG 69 N -0.01 0.60 -0.40 1.25 3.08 -1.07 -1.69 114.38 116.14 2fsx h ARG 69 Ca 0.08 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 2fsx h ARG 69 Cb 0.14 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2fsx h ARG 69 CO -0.18 0.59 -0.17 0.22 -1.07 0.00 0.00 179.97 179.36 2fsx h ASP 70 N 0.58 0.84 0.65 7.04 3.58 -0.90 -3.37 116.42 124.84 2fsx h ASP 70 Ca 0.13 -0.39 -0.11 0.00 0.42 0.00 0.00 57.03 57.08 2fsx h ASP 70 Cb 0.29 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 2fsx h ASP 70 CO 0.00 1.05 -1.44 0.54 -2.88 0.00 0.00 179.24 176.52 2fsx n ARG 71 N -4.26 0.63 -1.91 0.28 1.74 0.31 -4.83 116.66 108.62 2fsx n ARG 71 Ca -0.01 0.12 -0.38 0.00 -0.77 0.00 0.00 57.85 56.81 2fsx n ARG 71 Cb 0.41 -1.75 0.03 0.00 -1.02 0.00 0.00 32.46 30.12 2fsx n ARG 71 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2fsx s ILE 72 N -3.11 2.36 0.00 0.55 -4.36 -0.68 -4.99 121.20 110.97 2fsx s ILE 72 Ca -0.03 0.27 0.00 0.00 -0.26 0.00 0.00 60.65 60.62 2fsx s ILE 72 Cb 0.09 -3.14 0.00 0.00 1.25 0.00 0.00 42.46 40.67 2fsx s ILE 72 CO 0.82 -0.00 0.00 -2.65 0.24 0.00 0.00 174.94 173.35 2fsx n PRO 73 N -0.89 0.00 0.00 0.37 -0.02 -1.26 -4.98 135.00 128.22 2fsx n PRO 73 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2fsx n PRO 73 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.94 2fsx n PRO 73 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2fsx n ARG 81 N 0.00 0.00 -2.03 -0.52 1.74 -1.21 -5.16 116.66 109.48 2fsx n ARG 81 Ca 0.00 0.40 -0.40 0.00 -0.77 0.00 0.00 57.85 57.08 2fsx n ARG 81 Cb 0.00 -0.90 -0.01 0.00 -1.02 0.00 0.00 32.46 30.52 2fsx n ARG 81 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2fsx s PRO 82 N -0.83 4.22 -0.12 5.56 0.02 -1.26 -3.98 135.00 138.60 2fsx s PRO 82 Ca 0.00 2.28 0.02 0.00 0.02 0.00 0.00 61.00 63.32 2fsx s PRO 82 Cb 0.00 -2.98 0.01 0.00 0.02 0.00 0.00 34.50 31.55 2fsx s PRO 82 CO 0.00 -0.33 -0.17 0.08 -0.33 0.00 0.00 177.00 176.25 2fsx s VAL 83 N -1.16 1.64 -0.16 3.83 1.01 -0.11 -1.23 120.40 124.22 2fsx s VAL 83 Ca 0.51 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2fsx s VAL 83 Cb -0.41 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.49 2fsx s VAL 83 CO 0.54 0.47 -0.18 -0.63 0.00 0.00 0.00 175.10 175.30 2fsx s ILE 84 N 0.98 2.38 -0.18 2.22 1.01 0.31 -0.61 121.20 127.31 2fsx s ILE 84 Ca -0.06 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.66 2fsx s ILE 84 Cb -0.15 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 2fsx s ILE 84 CO -0.02 0.53 0.04 -0.36 0.00 0.00 0.00 174.94 175.13 2fsx s PHE 85 N 0.93 3.20 -0.11 3.97 0.08 0.07 0.23 117.98 126.35 2fsx s PHE 85 Ca -0.04 -0.01 0.02 0.00 0.12 0.00 0.00 56.93 57.03 2fsx s PHE 85 Cb -0.15 -2.06 0.01 0.00 -0.57 0.00 0.00 43.02 40.25 2fsx s PHE 85 CO -0.03 0.11 -0.18 -1.17 -0.10 0.00 0.00 175.22 173.85 2fsx s LEU 86 N 0.39 1.86 0.00 -0.37 2.96 -0.40 -1.70 118.68 121.43 2fsx s LEU 86 Ca 0.02 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.45 2fsx s LEU 86 Cb -0.13 -1.20 0.00 0.00 0.50 0.00 0.00 46.19 45.36 2fsx s LEU 86 CO 0.01 0.05 0.00 0.00 -1.32 0.00 0.00 176.35 175.09 2fsx h ARG 88 N 0.00 0.40 0.00 0.00 2.43 -1.94 0.59 114.38 115.87 2fsx h ARG 88 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2fsx h ARG 88 Cb 0.00 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2fsx h ARG 88 CO 0.00 0.26 -0.07 0.43 -1.51 0.00 0.00 179.97 179.09 2fsx n SER 89 N -4.92 0.21 0.00 -3.80 7.64 -1.26 -0.47 113.62 111.03 2fsx n SER 89 Ca 0.02 -1.25 0.00 0.00 1.01 0.00 0.00 58.87 58.65 2fsx n SER 89 Cb 0.11 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2fsx n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fsx n GLY 90 N -0.07 0.71 0.47 0.23 0.00 -1.26 -3.33 105.19 101.94 2fsx n GLY 90 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2fsx n GLY 90 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2fsx n ASN 91 N 0.00 1.37 0.25 1.61 4.13 -1.26 -4.55 115.26 116.81 2fsx n ASN 91 Ca 0.00 0.23 0.17 0.00 1.68 0.00 0.00 54.58 56.66 2fsx n ASN 91 Cb 0.00 -0.54 0.75 0.00 -1.54 0.00 0.00 39.78 38.45 2fsx n ASN 91 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 2fsx h ARG 92 N -0.61 0.00 0.00 3.52 3.08 -1.99 -2.61 114.38 115.77 2fsx h ARG 92 Ca -0.25 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 2fsx h ARG 92 Cb 1.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 2fsx h ARG 92 CO -0.15 0.00 -0.05 0.66 -1.07 0.00 0.00 179.97 179.35 2fsx h SER 93 N 0.00 0.00 -0.77 7.04 4.64 -1.92 -2.90 113.55 119.63 2fsx h SER 93 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2fsx h SER 93 Cb 0.34 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.39 2fsx h SER 93 CO 0.00 0.05 0.51 0.40 -0.87 0.00 0.00 176.83 176.92 2fsx h ILE 94 N 0.00 1.17 -0.85 0.95 2.04 -1.70 -0.27 117.51 118.86 2fsx h ILE 94 Ca -0.00 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 2fsx h ILE 94 Cb 0.45 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 2fsx h ILE 94 CO 0.01 0.19 0.43 1.23 0.00 0.00 0.00 178.15 180.00 2fsx h GLY 95 N 1.02 1.29 0.97 5.37 0.00 -1.70 0.22 103.07 110.24 2fsx h GLY 95 Ca 0.29 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 2fsx h GLY 95 CO -0.08 0.59 0.17 0.00 0.00 0.00 0.00 176.54 177.23 2fsx h ALA 96 N 1.27 0.65 -0.60 3.60 0.00 -1.51 -1.31 119.26 121.35 2fsx h ALA 96 Ca 0.29 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2fsx h ALA 96 Cb 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2fsx h ALA 96 CO -0.04 0.29 0.17 0.00 0.00 0.00 0.00 179.25 179.68 2fsx h ALA 97 N 1.02 1.17 -0.43 0.00 0.00 -0.31 -0.73 119.26 119.98 2fsx h ALA 97 Ca 0.16 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2fsx h ALA 97 Cb 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2fsx h ALA 97 CO -0.01 0.57 -0.07 0.93 0.00 0.00 0.00 179.25 180.68 2fsx h GLU 98 N 0.89 0.82 -0.52 0.00 5.08 -0.84 -1.34 114.58 118.67 2fsx h GLU 98 Ca 0.20 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2fsx h GLU 98 Cb 0.28 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2fsx h GLU 98 CO -0.01 0.91 0.24 0.28 -1.00 0.00 0.00 179.01 179.44 2fsx h VAL 99 N 0.65 1.20 -0.62 3.13 2.07 -0.86 -1.04 116.25 120.77 2fsx h VAL 99 Ca 0.11 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 67.09 2fsx h VAL 99 Cb 0.59 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 2fsx h VAL 99 CO 0.04 0.23 0.37 0.00 0.02 0.00 0.00 177.57 178.22 2fsx h ALA 100 N 1.08 0.82 0.00 1.67 0.00 -1.06 -1.39 119.26 120.38 2fsx h ALA 100 Ca 0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2fsx h ALA 100 Cb 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2fsx h ALA 100 CO -0.02 0.08 -0.00 1.15 0.00 0.00 0.00 179.25 180.46 2fsx h THR 101 N 0.70 1.16 0.00 0.00 2.02 -0.90 0.41 112.91 116.31 2fsx h THR 101 Ca 0.26 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 2fsx h THR 101 Cb 0.09 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2fsx h THR 101 CO -0.13 0.12 -0.02 -0.33 0.37 0.00 0.00 175.52 175.53 2fsx h GLU 102 N -0.20 0.00 -0.06 6.66 5.08 -1.06 -0.34 114.58 124.66 2fsx h GLU 102 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2fsx h GLU 102 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2fsx h GLU 102 CO 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 2fsx n ALA 103 N -2.31 2.58 -1.57 3.43 0.00 -0.54 -4.93 120.51 117.17 2fsx n ALA 103 Ca -0.03 -0.38 -0.08 0.00 0.00 0.00 0.00 53.44 52.95 2fsx n ALA 103 Cb 0.10 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 2fsx n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fsx n GLY 104 N 1.07 0.64 3.35 0.00 0.00 -0.14 -4.97 105.19 105.15 2fsx n GLY 104 Ca 0.18 -0.63 -0.46 0.00 0.00 0.00 0.00 46.02 45.11 2fsx n GLY 104 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fsx s ILE 105 N -2.34 5.57 0.07 -0.61 1.01 0.08 -5.01 121.20 119.98 2fsx s ILE 105 Ca 0.00 -2.55 0.01 0.00 0.00 0.00 0.00 60.65 58.11 2fsx s ILE 105 Cb 0.00 -4.54 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 2fsx s ILE 105 CO 0.00 -1.13 -0.05 0.42 0.00 0.00 0.00 174.94 174.18 2fsx s THR 106 N 0.22 0.50 0.16 2.92 -4.23 -1.26 -3.98 115.64 109.97 2fsx s THR 106 Ca 0.23 -1.74 -0.30 0.00 -1.18 0.00 0.00 61.69 58.70 2fsx s THR 106 Cb -0.09 -1.43 -0.07 0.00 1.34 0.00 0.00 72.50 72.25 2fsx s THR 106 CO -0.09 -0.83 1.13 -2.16 -0.54 0.00 0.00 174.62 172.14 2fsx s PRO 107 N -3.45 4.55 -0.24 3.99 0.04 -1.26 -4.65 135.00 133.98 2fsx s PRO 107 Ca 0.06 1.75 -0.08 0.00 0.04 0.00 0.00 61.00 62.77 2fsx s PRO 107 Cb 0.03 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2fsx s PRO 107 CO -0.05 -0.01 0.10 0.00 0.04 0.00 0.00 177.00 177.07 2fsx s ALA 108 N 0.03 3.32 0.16 8.56 0.00 -1.26 -0.93 121.76 131.64 2fsx s ALA 108 Ca 0.52 -1.00 0.08 0.00 0.00 0.00 0.00 51.96 51.55 2fsx s ALA 108 Cb -0.30 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 2fsx s ALA 108 CO 0.34 -0.30 -0.08 0.71 0.00 0.00 0.00 175.76 176.44 2fsx s TYR 109 N 1.27 2.70 -0.13 0.00 2.02 0.22 -0.91 117.35 122.52 2fsx s TYR 109 Ca 0.05 -0.19 -0.02 0.00 -0.37 0.00 0.00 57.07 56.54 2fsx s TYR 109 Cb -0.14 -1.34 -0.03 0.00 -0.40 0.00 0.00 41.96 40.05 2fsx s TYR 109 CO 0.04 0.49 -0.06 1.21 -1.57 0.00 0.00 175.55 175.67 2fsx s ASN 110 N -2.71 4.64 -0.56 2.29 3.04 -0.22 -0.75 114.94 120.67 2fsx s ASN 110 Ca 0.24 -0.13 -0.24 0.00 0.04 0.00 0.00 52.86 52.77 2fsx s ASN 110 Cb -0.09 -1.61 0.04 0.00 -1.54 0.00 0.00 41.25 38.05 2fsx s ASN 110 CO 0.15 0.22 0.94 -0.69 -3.04 0.00 0.00 177.10 174.68 2fsx s VAL 111 N 0.07 4.39 0.43 -5.21 1.01 -0.69 -0.80 120.40 119.61 2fsx s VAL 111 Ca -0.01 0.22 -0.24 0.00 0.00 0.00 0.00 61.98 61.95 2fsx s VAL 111 Cb -0.14 -4.54 -0.10 0.00 0.00 0.00 0.00 36.38 31.60 2fsx s VAL 111 CO 0.03 -1.13 1.03 0.18 0.00 0.00 0.00 175.10 175.21 2fsx n LEU 112 N 7.45 2.79 0.00 3.92 4.77 0.81 -2.15 117.00 134.59 2fsx n LEU 112 Ca 0.01 1.03 0.00 0.00 -0.03 0.00 0.00 56.01 57.02 2fsx n LEU 112 Cb 0.47 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 2fsx n LEU 112 CO 0.63 -1.43 0.00 0.47 -1.33 0.00 0.00 177.39 175.73 2fsx n ASP 113 N 0.41 0.00 0.00 -1.43 8.00 -1.21 -4.00 116.55 118.32 2fsx n ASP 113 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.59 2fsx n ASP 113 Cb 0.40 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 2fsx n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2fsx n GLY 114 N -1.63 0.81 0.14 0.44 0.00 -0.92 -0.95 105.19 103.08 2fsx n GLY 114 Ca 0.00 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 2fsx n GLY 114 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2fsx h PHE 115 N 0.00 0.78 0.00 1.61 3.57 -0.21 0.37 116.94 123.07 2fsx h PHE 115 Ca 0.00 -0.57 0.00 0.00 3.53 0.00 0.00 57.97 60.93 2fsx h PHE 115 Cb 0.00 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.71 2fsx h PHE 115 CO 0.00 1.53 -1.24 0.39 -2.23 0.00 0.00 178.31 176.76 2fsx n GLU 116 N -3.62 1.11 0.00 1.11 1.02 0.38 -2.44 120.64 118.20 2fsx n GLU 116 Ca -0.18 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 2fsx n GLU 116 Cb 1.08 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 31.31 2fsx n GLU 116 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2fsx n GLY 117 N 1.74 -0.92 3.93 0.62 0.00 -0.12 -1.90 105.19 108.54 2fsx n GLY 117 Ca -0.01 -1.18 -0.26 0.00 0.00 0.00 0.00 46.02 44.57 2fsx n GLY 117 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2fsx s HIS 118 N 0.00 2.96 -0.33 1.61 -3.43 -1.26 -4.64 115.29 110.20 2fsx s HIS 118 Ca 0.00 0.45 -0.23 0.00 -0.80 0.00 0.00 55.06 54.48 2fsx s HIS 118 Cb 0.00 -3.10 0.00 0.00 -1.43 0.00 0.00 32.58 28.05 2fsx s HIS 118 CO 0.00 -1.29 0.75 -1.17 -2.00 0.00 0.00 174.74 171.03 2fsx s LEU 119 N -5.18 4.12 0.00 5.38 2.96 -1.26 -4.22 118.68 120.48 2fsx s LEU 119 Ca 0.59 0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 54.95 2fsx s LEU 119 Cb -0.11 -3.00 0.04 0.00 0.50 0.00 0.00 46.19 43.62 2fsx s LEU 119 CO 0.44 -0.64 0.24 -0.90 -1.32 0.00 0.00 176.35 174.17 2fsx n ASP 120 N 6.23 0.02 0.26 3.68 5.68 0.99 -4.85 116.55 128.57 2fsx n ASP 120 Ca 0.02 -1.09 0.14 0.00 -0.50 0.00 0.00 54.79 53.36 2fsx n ASP 120 Cb 0.48 -0.18 0.72 0.00 -1.14 0.00 0.00 41.12 41.00 2fsx n ASP 120 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2fsx h ALA 121 N -1.95 1.17 -0.03 2.12 0.00 -1.97 -1.77 119.26 116.84 2fsx h ALA 121 Ca -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2fsx h ALA 121 Cb 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2fsx h ALA 121 CO 0.05 0.14 0.00 0.39 0.00 0.00 0.00 179.25 179.84 2fsx n GLU 122 N -3.47 1.74 -2.14 0.00 1.02 -1.26 -4.93 120.64 111.60 2fsx n GLU 122 Ca -0.01 -1.08 -0.03 0.00 -0.02 0.00 0.00 57.16 56.02 2fsx n GLU 122 Cb 0.27 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 2fsx n GLU 122 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2fsx n GLY 123 N 1.19 0.33 3.35 0.62 0.00 -0.66 -5.06 105.19 104.96 2fsx n GLY 123 Ca 0.18 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 2fsx n GLY 123 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2fsx s HIS 124 N -2.27 2.40 0.00 1.61 4.02 -1.26 -4.85 115.29 114.94 2fsx s HIS 124 Ca 0.01 -0.38 0.00 0.00 1.02 0.00 0.00 55.06 55.71 2fsx s HIS 124 Cb -0.01 -1.50 0.00 0.00 -1.02 0.00 0.00 32.58 30.06 2fsx s HIS 124 CO 0.01 0.05 0.00 0.54 1.02 0.00 0.00 174.74 176.36 2fsx n ARG 125 N 2.24 1.38 -1.00 1.40 1.74 -1.26 -0.01 116.66 121.15 2fsx n ARG 125 Ca -0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 2fsx n ARG 125 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 2fsx n ARG 125 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2fsx n GLY 126 N 5.00 0.49 0.13 -0.13 0.00 -0.80 -4.90 105.19 104.98 2fsx n GLY 126 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2fsx n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fsx h ALA 127 N 0.00 0.35 -1.57 4.61 0.00 -1.82 -3.41 119.26 117.43 2fsx h ALA 127 Ca 0.00 -1.31 -0.56 0.00 0.00 0.00 0.00 54.91 53.04 2fsx h ALA 127 Cb 0.05 0.68 -0.13 0.00 0.00 0.00 0.00 17.79 18.38 2fsx h ALA 127 CO 0.00 1.12 -0.57 0.95 0.00 0.00 0.00 179.25 180.75 2fsx s THR 128 N -2.51 1.21 0.00 0.00 -4.23 -1.26 -4.90 115.64 103.95 2fsx s THR 128 Ca -0.23 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.28 2fsx s THR 128 Cb 0.06 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.28 2fsx s THR 128 CO 0.74 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.43 2fsx n GLY 129 N -0.90 0.96 0.40 3.99 0.00 -1.26 -2.98 105.19 105.41 2fsx n GLY 129 Ca -0.07 -2.12 -0.11 0.00 0.00 0.00 0.00 46.02 43.72 2fsx n GLY 129 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2fsx h TRP 130 N 0.00 -1.27 -0.70 1.61 2.91 -0.74 -2.34 115.95 115.42 2fsx h TRP 130 Ca 0.00 0.06 -0.07 0.00 1.13 0.00 0.00 58.89 60.01 2fsx h TRP 130 Cb 0.00 0.60 -0.03 0.00 -0.51 0.00 0.00 29.16 29.22 2fsx h TRP 130 CO 0.00 -0.46 0.18 0.00 -1.03 0.00 0.00 178.44 177.12 2fsx h ARG 131 N -0.41 1.11 -0.43 2.65 3.08 -1.75 -2.34 114.38 116.29 2fsx h ARG 131 Ca 0.11 -0.26 0.01 0.00 0.07 0.00 0.00 59.98 59.91 2fsx h ARG 131 Cb 0.61 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 2fsx h ARG 131 CO -0.50 0.97 0.29 0.00 -1.07 0.00 0.00 179.97 179.66 2fsx h ALA 132 N 1.13 1.74 -0.17 0.04 0.00 -1.66 0.41 119.26 120.75 2fsx h ALA 132 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2fsx h ALA 132 Cb 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2fsx h ALA 132 CO 0.00 0.23 0.00 1.55 0.00 0.00 0.00 179.25 181.03 2fsx n VAL 133 N -4.48 0.22 -1.13 0.00 3.14 -0.92 -4.94 118.33 110.22 2fsx n VAL 133 Ca 0.04 -0.38 -0.05 0.00 -2.96 0.00 0.00 64.34 61.00 2fsx n VAL 133 Cb 0.09 0.45 -0.02 0.00 -1.06 0.00 0.00 33.84 33.30 2fsx n VAL 133 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2fsx n GLY 134 N 1.17 0.73 3.77 7.55 0.00 0.13 -5.00 105.19 113.55 2fsx n GLY 134 Ca 0.17 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 2fsx n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fsx s LEU 135 N -1.04 4.00 -0.02 0.99 1.43 -0.91 -4.86 118.68 118.27 2fsx s LEU 135 Ca 0.00 2.41 -0.38 0.00 -1.03 0.00 0.00 54.13 55.13 2fsx s LEU 135 Cb 0.00 -4.22 -0.17 0.00 0.03 0.00 0.00 46.19 41.83 2fsx s LEU 135 CO 0.00 -1.03 1.39 -2.65 0.23 0.00 0.00 176.35 174.29 2fsx n PRO 136 N -0.54 0.93 -3.74 1.29 -0.02 -1.26 -4.68 135.00 126.98 2fsx n PRO 136 Ca 0.08 0.34 -0.10 0.00 -2.02 0.00 0.00 63.50 61.79 2fsx n PRO 136 Cb 0.47 -1.96 -0.05 0.00 -0.02 0.00 0.00 33.50 31.94 2fsx n PRO 136 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2fsx s TRP 137 N 1.13 -0.06 0.04 6.00 1.48 -1.26 -1.47 118.94 124.80 2fsx s TRP 137 Ca 0.89 -0.28 -0.11 0.00 -1.06 0.00 0.00 56.10 55.54 2fsx s TRP 137 Cb -1.05 0.25 0.01 0.00 -1.16 0.00 0.00 33.47 31.52 2fsx s TRP 137 CO 0.54 -0.79 0.24 1.03 -4.06 0.00 0.00 176.95 173.91 2fsx s ARG 138 N -3.86 0.75 0.00 3.25 0.52 -0.18 -4.83 118.95 114.60 2fsx s ARG 138 Ca 0.08 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.69 2fsx s ARG 138 Cb 0.01 0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.80 2fsx s ARG 138 CO -0.06 -0.23 0.71 0.00 0.02 0.00 0.00 175.30 175.74 2fsx n GLN 139 N 0.60 1.28 0.00 3.54 10.64 -1.26 -0.82 117.38 131.36 2fsx n GLN 139 Ca -0.18 -0.92 0.00 0.00 -1.83 0.00 0.00 57.00 54.06 2fsx n GLN 139 Cb 0.59 -0.72 0.00 0.00 -0.86 0.00 0.00 30.24 29.25 2fsx n GLN 139 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64