#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fyu h HIS 2 N 0.00 0.00 -0.00 0.66 -0.00 -2.09 -2.57 115.15 111.15 2fyu h HIS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2fyu h HIS 2 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2fyu h HIS 2 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 177.93 179.72 2fyu h THR 3 N 0.00 0.15 0.00 6.12 1.35 -2.12 -2.50 112.91 115.91 2fyu h THR 3 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.03 2fyu h THR 3 Cb 0.71 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 2fyu h THR 3 CO -0.00 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.74 2fyu n ASP 4 N -3.30 0.53 -4.56 5.36 10.43 -0.97 -4.60 116.55 119.44 2fyu n ASP 4 Ca -0.03 0.63 -0.39 0.00 2.57 0.00 0.00 54.79 57.58 2fyu n ASP 4 Cb 0.08 -0.74 -0.03 0.00 1.84 0.00 0.00 41.12 42.26 2fyu n ASP 4 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2fyu s ILE 5 N -3.25 3.84 0.28 0.53 1.01 -0.95 -4.97 121.20 117.69 2fyu s ILE 5 Ca 0.05 -0.71 -0.21 0.00 0.00 0.00 0.00 60.65 59.77 2fyu s ILE 5 Cb 0.09 -4.88 -0.09 0.00 0.01 0.00 0.00 42.46 37.59 2fyu s ILE 5 CO 0.36 -1.77 0.81 -0.75 0.00 0.00 0.00 174.94 173.59 2fyu s LYS 6 N 5.31 4.34 -0.02 2.79 2.20 -1.26 -5.11 119.74 127.99 2fyu s LYS 6 Ca 0.50 1.02 -0.30 0.00 -0.36 0.00 0.00 55.97 56.83 2fyu s LYS 6 Cb -0.01 -2.76 -0.03 0.00 -1.51 0.00 0.00 37.83 33.52 2fyu s LYS 6 CO -0.08 0.31 1.01 0.08 -0.36 0.00 0.00 175.35 176.30 2fyu s VAL 7 N -1.64 4.78 0.70 4.02 1.01 -1.26 -5.03 120.40 122.97 2fyu s VAL 7 Ca 0.48 2.00 -0.15 0.00 0.00 0.00 0.00 61.98 64.31 2fyu s VAL 7 Cb -0.16 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 31.96 2fyu s VAL 7 CO 0.21 0.12 1.16 -2.84 0.00 0.00 0.00 175.10 173.75 2fyu s PRO 8 N 1.26 2.42 -0.00 2.72 0.02 -1.26 -4.91 135.00 135.24 2fyu s PRO 8 Ca 0.52 1.60 -0.30 0.00 0.02 0.00 0.00 61.00 62.84 2fyu s PRO 8 Cb -0.21 -1.88 -0.09 0.00 0.02 0.00 0.00 34.50 32.34 2fyu s PRO 8 CO 0.26 -1.59 2.00 -3.47 -0.33 0.00 0.00 177.00 173.87 2fyu n ASP 9 N -2.58 4.00 -1.24 2.53 4.64 -1.26 -4.92 116.55 117.71 2fyu n ASP 9 Ca 0.12 0.83 0.10 0.00 -1.38 0.00 0.00 54.79 54.46 2fyu n ASP 9 Cb 0.51 -1.51 0.29 0.00 -1.04 0.00 0.00 41.12 39.37 2fyu n ASP 9 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 2fyu n PHE 10 N 7.95 0.96 -0.24 -0.67 3.01 -1.26 -4.72 117.46 122.49 2fyu n PHE 10 Ca 0.22 -0.53 0.21 0.00 1.01 0.00 0.00 57.45 58.36 2fyu n PHE 10 Cb 0.40 -0.05 0.55 0.00 -0.01 0.00 0.00 39.48 40.37 2fyu n PHE 10 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2fyu h SER 11 N 3.76 0.34 -0.59 4.37 0.02 -1.94 0.91 113.55 120.41 2fyu h SER 11 Ca 0.00 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.04 2fyu h SER 11 Cb 1.02 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.51 2fyu h SER 11 CO 0.04 0.12 0.39 0.44 -1.14 0.00 0.00 176.83 176.68 2fyu h ASP 12 N 0.33 0.54 0.00 3.07 5.19 -2.03 -3.27 116.42 120.26 2fyu h ASP 12 Ca 0.48 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.89 2fyu h ASP 12 Cb 1.32 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.71 2fyu h ASP 12 CO -0.16 0.36 -0.80 -1.22 -3.12 0.00 0.00 179.24 174.30 2fyu n TYR 13 N -4.47 0.00 -2.53 4.55 4.01 0.25 -5.00 117.16 113.97 2fyu n TYR 13 Ca 0.08 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.40 2fyu n TYR 13 Cb 0.19 -0.06 -0.04 0.00 -0.31 0.00 0.00 39.34 39.12 2fyu n TYR 13 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2fyu s ARG 14 N -2.35 4.56 0.25 -0.72 0.52 -0.82 -5.03 118.95 115.36 2fyu s ARG 14 Ca 0.03 1.68 -0.28 0.00 -0.52 0.00 0.00 55.73 56.63 2fyu s ARG 14 Cb 0.09 -3.32 -0.15 0.00 0.52 0.00 0.00 34.95 32.09 2fyu s ARG 14 CO 0.53 -0.00 0.82 0.54 0.02 0.00 0.00 175.30 177.21 2fyu n ARG 15 N 2.92 0.79 0.31 3.54 1.74 -1.26 -4.91 116.66 119.79 2fyu n ARG 15 Ca 0.04 0.28 0.18 0.00 -0.77 0.00 0.00 57.85 57.58 2fyu n ARG 15 Cb 0.47 -1.50 1.01 0.00 -1.02 0.00 0.00 32.46 31.42 2fyu n ARG 15 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2fyu h PRO 16 N 1.64 0.00 0.00 5.56 0.13 -1.97 -2.35 132.00 135.00 2fyu h PRO 16 Ca -0.35 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 2fyu h PRO 16 Cb 1.38 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.51 2fyu h PRO 16 CO 0.59 0.01 -0.03 0.93 -0.23 0.00 0.00 178.00 179.27 2fyu h GLU 17 N 0.00 0.00 0.00 0.86 3.07 -2.00 -3.23 114.58 113.29 2fyu h GLU 17 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2fyu h GLU 17 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 2fyu h GLU 17 CO 0.00 0.03 -0.05 1.33 -1.40 0.00 0.00 179.01 178.93 2fyu n VAL 18 N -3.16 1.43 0.07 3.13 0.24 -0.89 -4.67 118.33 114.48 2fyu n VAL 18 Ca -0.00 -1.67 -0.11 0.00 -2.04 0.00 0.00 64.34 60.51 2fyu n VAL 18 Cb 0.28 0.05 -0.02 0.00 -1.47 0.00 0.00 33.84 32.68 2fyu n VAL 18 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2fyu h LEU 19 N 0.00 0.46 -8.85 1.34 3.38 -1.59 -3.44 115.31 106.62 2fyu h LEU 19 Ca 0.00 -0.35 -0.57 0.00 0.09 0.00 0.00 57.88 57.05 2fyu h LEU 19 Cb 0.92 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 2fyu h LEU 19 CO 0.00 1.14 1.06 -0.62 0.09 0.00 0.00 178.44 180.11 2fyu s ASP 20 N -7.02 6.40 0.52 -0.43 3.68 -1.26 -4.91 116.67 113.64 2fyu s ASP 20 Ca -0.05 0.98 0.24 0.00 2.13 0.00 0.00 52.55 55.85 2fyu s ASP 20 Cb 0.09 -2.54 1.42 0.00 -1.45 0.00 0.00 42.92 40.45 2fyu s ASP 20 CO 0.85 -1.35 2.10 0.28 0.13 0.00 0.00 175.17 177.18 2fyu h SER 21 N 10.47 0.00 0.14 -0.34 0.02 -1.99 -2.87 113.55 118.98 2fyu h SER 21 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2fyu h SER 21 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2fyu h SER 21 CO 1.07 0.10 -0.22 0.35 -1.14 0.00 0.00 176.83 176.99 2fyu n THR 22 N -3.92 0.00 -3.61 -2.27 -2.24 -1.26 -4.87 114.28 96.11 2fyu n THR 22 Ca -0.02 -0.19 -0.37 0.00 -2.27 0.00 0.00 64.05 61.20 2fyu n THR 22 Cb 0.19 0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 68.93 2fyu n THR 22 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2fyu s LYS 23 N -2.36 4.07 0.18 -0.78 1.02 -1.09 -5.09 119.74 115.69 2fyu s LYS 23 Ca 0.27 0.07 -0.33 0.00 0.02 0.00 0.00 55.97 56.00 2fyu s LYS 23 Cb 0.20 -3.36 -0.14 0.00 -0.52 0.00 0.00 37.83 34.01 2fyu s LYS 23 CO 0.47 0.40 1.55 0.45 -0.92 0.00 0.00 175.35 177.30 2fyu n SER 24 N 3.05 3.06 0.14 2.83 2.88 -1.26 -4.92 113.62 119.39 2fyu n SER 24 Ca -0.14 1.09 -0.00 0.00 -1.33 0.00 0.00 58.87 58.49 2fyu n SER 24 Cb 0.52 -1.43 0.15 0.00 -0.75 0.00 0.00 64.21 62.70 2fyu n SER 24 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2fyu h SER 25 N 5.62 0.00 -1.13 -3.46 0.02 -1.92 -3.34 113.55 109.34 2fyu h SER 25 Ca -0.45 0.00 0.34 0.00 -0.84 0.00 0.00 61.79 60.84 2fyu h SER 25 Cb 1.26 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.68 2fyu h SER 25 CO 0.86 0.61 0.71 0.11 -1.14 0.00 0.00 176.83 177.99 2fyu h LYS 26 N 0.00 0.26 0.00 3.45 1.57 -1.99 -1.71 116.57 118.14 2fyu h LYS 26 Ca -0.01 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2fyu h LYS 26 Cb 1.19 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 2fyu h LYS 26 CO 0.08 0.17 -0.00 0.93 -0.57 0.00 0.00 179.45 180.06 2fyu h GLU 27 N 0.26 0.00 0.00 3.15 3.07 -1.99 -3.10 114.58 115.97 2fyu h GLU 27 Ca 0.71 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.57 2fyu h GLU 27 Cb 1.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.85 2fyu h GLU 27 CO -0.42 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.06 2fyu n SER 28 N -3.10 0.31 -0.06 1.42 3.41 -0.72 -4.78 113.62 110.10 2fyu n SER 28 Ca -0.02 -0.64 -0.00 0.00 -0.26 0.00 0.00 58.87 57.95 2fyu n SER 28 Cb 0.16 0.55 0.28 0.00 -0.26 0.00 0.00 64.21 64.94 2fyu n SER 28 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2fyu h SER 29 N 0.00 0.61 -0.35 4.04 4.64 -1.28 -0.28 113.55 120.93 2fyu h SER 29 Ca 0.00 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.21 2fyu h SER 29 Cb 0.02 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 2fyu h SER 29 CO 0.00 0.60 0.15 -0.33 -0.87 0.00 0.00 176.83 176.37 2fyu h GLU 30 N 0.65 0.53 -0.36 4.77 5.08 -1.86 -0.78 114.58 122.60 2fyu h GLU 30 Ca 0.15 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 2fyu h GLU 30 Cb 0.22 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2fyu h GLU 30 CO -0.01 0.51 -0.21 0.00 -1.00 0.00 0.00 179.01 178.30 2fyu h ALA 31 N 0.99 0.96 0.17 3.43 0.00 -1.76 -0.52 119.26 122.53 2fyu h ALA 31 Ca 0.12 -0.36 -0.23 0.00 0.00 0.00 0.00 54.91 54.45 2fyu h ALA 31 Cb 0.17 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 17.84 2fyu h ALA 31 CO -0.01 0.61 -1.00 0.00 0.00 0.00 0.00 179.25 178.84 2fyu h ARG 32 N 0.61 0.36 -0.58 0.00 3.08 -0.97 -1.56 114.38 115.32 2fyu h ARG 32 Ca 0.09 -0.62 -0.08 0.00 0.07 0.00 0.00 59.98 59.44 2fyu h ARG 32 Cb 0.69 0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 2fyu h ARG 32 CO 0.05 1.30 0.05 0.87 -1.07 0.00 0.00 179.97 181.17 2fyu h LYS 33 N -0.24 0.96 -0.56 0.04 1.57 -1.22 -3.00 116.57 114.12 2fyu h LYS 33 Ca -0.18 -0.26 0.11 0.00 -1.87 0.00 0.00 60.65 58.46 2fyu h LYS 33 Cb 1.78 -0.11 -0.11 0.00 0.08 0.00 0.00 32.23 33.88 2fyu h LYS 33 CO 0.18 0.91 -0.12 0.78 -0.57 0.00 0.00 179.45 180.63 2fyu h GLY 34 N 1.01 0.43 0.87 3.86 0.00 -1.04 -0.54 103.07 107.66 2fyu h GLY 34 Ca 0.17 0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 2fyu h GLY 34 CO 0.02 -0.21 0.06 -2.75 0.00 0.00 0.00 176.54 173.66 2fyu h PHE 35 N 0.01 0.33 -0.11 5.60 3.04 -1.24 -0.26 116.94 124.31 2fyu h PHE 35 Ca 0.27 -0.03 -0.22 0.00 3.98 0.00 0.00 57.97 61.97 2fyu h PHE 35 Cb 0.42 -0.10 0.01 0.00 2.56 0.00 0.00 35.95 38.84 2fyu h PHE 35 CO -0.45 0.41 -0.81 0.77 -2.02 0.00 0.00 178.31 176.21 2fyu h SER 36 N 0.16 0.82 0.55 0.41 0.02 -1.40 -2.59 113.55 111.52 2fyu h SER 36 Ca 0.07 -0.56 -0.13 0.00 -0.84 0.00 0.00 61.79 60.32 2fyu h SER 36 Cb 0.24 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2fyu h SER 36 CO -0.00 1.35 -0.61 1.88 -1.14 0.00 0.00 176.83 178.31 2fyu h TYR 37 N 0.45 0.07 -0.94 3.45 0.05 -1.12 -2.99 116.97 115.95 2fyu h TYR 37 Ca -0.06 -0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.70 2fyu h TYR 37 Cb 1.44 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 39.12 2fyu h TYR 37 CO 0.08 0.65 0.62 1.25 -1.05 0.00 0.00 178.16 179.71 2fyu h LEU 38 N 0.04 1.08 -0.25 3.88 5.85 -0.97 0.60 115.31 125.54 2fyu h LEU 38 Ca -0.01 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.73 2fyu h LEU 38 Cb 1.08 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 2fyu h LEU 38 CO 0.08 0.79 -0.03 0.58 -0.34 0.00 0.00 178.44 179.52 2fyu h VAL 39 N 1.28 0.79 -0.26 1.05 2.07 -1.44 0.22 116.25 119.96 2fyu h VAL 39 Ca 0.34 -0.01 -0.19 0.00 0.82 0.00 0.00 66.70 67.66 2fyu h VAL 39 Cb -0.14 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2fyu h VAL 39 CO -0.07 0.01 -0.58 0.71 0.02 0.00 0.00 177.57 177.65 2fyu h THR 40 N 0.04 1.28 -0.19 2.57 1.35 -1.37 -2.14 112.91 114.45 2fyu h THR 40 Ca 0.12 -1.78 0.03 0.00 -0.55 0.00 0.00 66.41 64.23 2fyu h THR 40 Cb 0.17 1.70 -0.03 0.00 -1.73 0.00 0.00 68.15 68.26 2fyu h THR 40 CO -0.23 0.57 -0.01 0.00 -0.25 0.00 0.00 175.52 175.60 2fyu h ALA 41 N 0.72 0.15 -0.83 6.62 0.00 -0.83 -1.34 119.26 123.75 2fyu h ALA 41 Ca 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2fyu h ALA 41 Cb 1.18 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 2fyu h ALA 41 CO 0.12 -0.45 0.37 1.15 0.00 0.00 0.00 179.25 180.45 2fyu h THR 42 N 0.04 1.26 0.25 0.00 2.02 -0.93 -2.08 112.91 113.48 2fyu h THR 42 Ca 0.09 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 2fyu h THR 42 Cb 0.12 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 66.75 2fyu h THR 42 CO -0.16 0.32 -0.14 0.74 0.37 0.00 0.00 175.52 176.65 2fyu h THR 43 N 1.19 0.70 -0.81 3.16 2.02 -1.24 -1.81 112.91 116.12 2fyu h THR 43 Ca 0.28 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.46 2fyu h THR 43 Cb 0.16 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 2fyu h THR 43 CO -0.03 0.00 0.50 0.74 0.37 0.00 0.00 175.52 177.10 2fyu h THR 44 N -0.37 1.22 0.06 3.16 2.02 -1.00 0.19 112.91 118.19 2fyu h THR 44 Ca -0.03 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 66.70 2fyu h THR 44 Cb 0.30 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 2fyu h THR 44 CO 0.04 0.23 -0.12 0.58 0.37 0.00 0.00 175.52 176.61 2fyu h VAL 45 N 1.12 0.71 -0.83 3.16 2.07 -1.33 0.20 116.25 121.35 2fyu h VAL 45 Ca 0.29 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.83 2fyu h VAL 45 Cb -0.07 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 2fyu h VAL 45 CO -0.06 0.00 0.55 1.23 0.02 0.00 0.00 177.57 179.31 2fyu h GLY 46 N -0.24 1.18 1.28 2.17 0.00 -0.50 -1.56 103.07 105.40 2fyu h GLY 46 Ca 0.02 -0.43 -0.18 0.00 0.00 0.00 0.00 47.33 46.74 2fyu h GLY 46 CO -0.08 0.42 -0.58 -2.08 0.00 0.00 0.00 176.54 174.22 2fyu h VAL 47 N 1.12 1.29 -0.26 4.60 2.07 -0.41 -2.46 116.25 122.19 2fyu h VAL 47 Ca 0.31 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 66.04 2fyu h VAL 47 Cb -0.11 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2fyu h VAL 47 CO -0.07 0.57 0.17 0.00 0.02 0.00 0.00 177.57 178.25 2fyu h ALA 48 N 0.78 0.32 -0.55 1.67 0.00 -0.39 0.17 119.26 121.26 2fyu h ALA 48 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.01 2fyu h ALA 48 Cb 1.16 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.75 2fyu h ALA 48 CO 0.12 -0.21 -0.18 -0.92 0.00 0.00 0.00 179.25 178.06 2fyu h TYR 49 N 0.34 -0.42 -0.42 0.00 3.20 -1.18 0.57 116.97 119.06 2fyu h TYR 49 Ca 0.10 0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.87 2fyu h TYR 49 Cb -0.03 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 2fyu h TYR 49 CO -0.06 -0.28 -0.32 0.00 -1.64 0.00 0.00 178.16 175.85 2fyu h ALA 50 N 1.43 0.61 -0.14 1.82 0.00 -0.94 -2.81 119.26 119.22 2fyu h ALA 50 Ca 0.26 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2fyu h ALA 50 Cb 0.45 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2fyu h ALA 50 CO -0.59 0.67 -0.03 0.00 0.00 0.00 0.00 179.25 179.31 2fyu h ALA 51 N 0.81 0.19 -0.69 0.00 0.00 -0.33 -1.92 119.26 117.30 2fyu h ALA 51 Ca 0.08 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 54.92 2fyu h ALA 51 Cb 0.92 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.55 2fyu h ALA 51 CO 0.09 -0.07 0.07 -0.22 0.00 0.00 0.00 179.25 179.11 2fyu h LYS 52 N -0.04 0.16 0.09 0.00 3.64 -0.96 -1.37 116.57 118.10 2fyu h LYS 52 Ca 0.04 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2fyu h LYS 52 Cb 0.44 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2fyu h LYS 52 CO 0.01 0.11 -0.04 -0.91 -2.27 0.00 0.00 179.45 176.35 2fyu h ASN 53 N 0.17 -0.11 -0.44 4.20 4.21 -1.20 0.01 115.58 122.42 2fyu h ASN 53 Ca 0.38 -0.32 0.05 0.00 1.21 0.00 0.00 56.30 57.62 2fyu h ASN 53 Cb 0.64 0.03 -0.05 0.00 -1.12 0.00 0.00 38.32 37.82 2fyu h ASN 53 CO -0.55 0.28 0.16 -0.37 -1.29 0.00 0.00 177.43 175.66 2fyu h VAL 54 N -0.50 0.87 0.02 2.81 -1.51 -1.32 -2.00 116.25 114.62 2fyu h VAL 54 Ca -0.01 -0.11 -0.00 0.00 -1.23 0.00 0.00 66.70 65.34 2fyu h VAL 54 Cb 0.42 0.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.09 2fyu h VAL 54 CO 0.02 0.06 -0.01 0.58 -1.23 0.00 0.00 177.57 176.99 2fyu h VAL 55 N 0.33 1.14 -0.83 7.19 2.07 -1.09 -0.99 116.25 124.07 2fyu h VAL 55 Ca 0.20 -0.49 0.16 0.00 0.82 0.00 0.00 66.70 67.39 2fyu h VAL 55 Cb 0.19 1.47 -0.10 0.00 -1.52 0.00 0.00 31.29 31.33 2fyu h VAL 55 CO -0.20 0.13 0.40 0.28 0.02 0.00 0.00 177.57 178.19 2fyu h SER 56 N -0.24 0.43 -0.52 0.57 0.02 -1.01 0.24 113.55 113.04 2fyu h SER 56 Ca -0.00 0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 60.96 2fyu h SER 56 Cb 0.22 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2fyu h SER 56 CO 0.00 0.15 -0.05 1.56 -1.14 0.00 0.00 176.83 177.36 2fyu h GLN 57 N 0.54 0.96 -0.49 3.45 4.20 -0.98 0.49 115.11 123.28 2fyu h GLN 57 Ca 0.47 -0.33 -0.13 0.00 0.06 0.00 0.00 58.65 58.72 2fyu h GLN 57 Cb 0.71 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 2fyu h GLN 57 CO -0.40 0.99 -0.20 0.74 -0.67 0.00 0.00 178.83 179.29 2fyu h PHE 58 N 0.83 1.12 0.05 2.96 -1.00 -0.68 -2.27 116.94 117.94 2fyu h PHE 58 Ca 0.14 -0.26 0.00 0.00 2.81 0.00 0.00 57.97 60.66 2fyu h PHE 58 Cb 0.59 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.88 2fyu h PHE 58 CO 0.04 1.08 -0.06 0.28 -1.61 0.00 0.00 178.31 178.05 2fyu h VAL 59 N 0.85 0.86 -0.43 -0.55 2.07 -0.24 -3.17 116.25 115.65 2fyu h VAL 59 Ca 0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 2fyu h VAL 59 Cb 0.77 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 2fyu h VAL 59 CO 0.06 0.00 0.25 0.28 0.02 0.00 0.00 177.57 178.18 2fyu h SER 60 N -0.13 0.51 -0.41 0.57 0.02 -0.04 -2.57 113.55 111.50 2fyu h SER 60 Ca 0.01 -0.03 0.12 0.00 -0.84 0.00 0.00 61.79 61.05 2fyu h SER 60 Cb 0.13 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2fyu h SER 60 CO -0.02 0.40 0.32 0.77 -1.14 0.00 0.00 176.83 177.15 2fyu h SER 61 N 0.59 0.00 0.89 3.07 4.64 -1.37 -2.29 113.55 119.08 2fyu h SER 61 Ca 0.15 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.25 2fyu h SER 61 Cb -0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 2fyu h SER 61 CO -0.03 0.00 -1.08 0.24 -0.87 0.00 0.00 176.83 175.10 2fyu h MET 62 N 0.00 0.07 -6.74 4.77 2.86 -1.55 -3.46 114.93 110.88 2fyu h MET 62 Ca 0.19 -0.13 -0.56 0.00 -2.06 0.00 0.00 59.70 57.15 2fyu h MET 62 Cb 0.83 0.05 0.19 0.00 0.06 0.00 0.00 31.60 32.72 2fyu h MET 62 CO -0.00 1.05 -0.31 0.43 1.06 0.00 0.00 176.91 179.14 2fyu n SER 63 N -3.40 -0.96 -4.37 1.22 7.64 -0.86 -4.89 113.62 108.00 2fyu n SER 63 Ca -0.03 0.57 -0.54 0.00 1.01 0.00 0.00 58.87 59.89 2fyu n SER 63 Cb 0.96 -1.26 -0.09 0.00 -1.01 0.00 0.00 64.21 62.82 2fyu n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fyu n ALA 64 N -2.60 0.73 -1.63 -0.43 0.00 -1.26 -4.96 120.51 110.37 2fyu n ALA 64 Ca 0.10 0.02 -0.36 0.00 0.00 0.00 0.00 53.44 53.20 2fyu n ALA 64 Cb 0.50 -2.37 0.08 0.00 0.00 0.00 0.00 19.45 17.66 2fyu n ALA 64 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2fyu s SER 65 N 6.93 4.46 0.26 0.00 1.04 -1.26 -4.87 113.70 120.26 2fyu s SER 65 Ca 1.14 2.57 -0.01 0.00 0.48 0.00 0.00 55.95 60.13 2fyu s SER 65 Cb -1.10 -2.61 0.55 0.00 0.10 0.00 0.00 66.02 62.95 2fyu s SER 65 CO 0.55 -2.10 1.73 0.00 0.98 0.00 0.00 173.24 174.41 2fyu h ALA 66 N 0.32 1.23 0.00 5.32 0.00 -1.99 0.30 119.26 124.43 2fyu h ALA 66 Ca -0.50 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2fyu h ALA 66 Cb 1.33 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2fyu h ALA 66 CO 0.52 -0.19 0.00 -3.47 0.00 0.00 0.00 179.25 176.11 2fyu n ASP 67 N -4.96 0.00 -0.06 0.00 -0.08 -1.26 -3.45 116.55 106.73 2fyu n ASP 67 Ca 0.17 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.41 2fyu n ASP 67 Cb 0.47 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.80 2fyu n ASP 67 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2fyu n VAL 68 N -2.65 0.82 0.94 5.18 0.31 0.10 -4.36 118.33 118.67 2fyu n VAL 68 Ca 0.00 -0.61 0.12 0.00 -0.01 0.00 0.00 64.34 63.84 2fyu n VAL 68 Cb 0.00 -0.39 0.57 0.00 -0.91 0.00 0.00 33.84 33.10 2fyu n VAL 68 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2fyu n LEU 69 N -2.47 0.00 -4.77 7.52 4.32 -1.03 -4.90 117.00 115.66 2fyu n LEU 69 Ca -0.20 0.47 -0.36 0.00 -0.02 0.00 0.00 56.01 55.89 2fyu n LEU 69 Cb 0.88 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 2fyu n LEU 69 CO 0.35 -0.06 0.82 0.00 -1.22 0.00 0.00 177.39 177.29 2fyu s ALA 70 N -2.93 2.84 0.48 -1.18 0.00 -1.25 -4.88 121.76 114.84 2fyu s ALA 70 Ca 0.14 0.93 0.41 0.00 0.00 0.00 0.00 51.96 53.44 2fyu s ALA 70 Cb 0.17 -3.39 2.09 0.00 0.00 0.00 0.00 23.12 21.99 2fyu s ALA 70 CO 0.46 -0.78 2.25 1.98 0.00 0.00 0.00 175.76 179.67 2fyu h MET 71 N 1.63 0.00 0.00 0.00 4.05 -1.95 -3.47 114.93 115.19 2fyu h MET 71 Ca -0.50 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 2fyu h MET 71 Cb 1.26 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.06 2fyu h MET 71 CO 0.58 0.00 0.00 0.45 0.23 0.00 0.00 176.91 178.18 2fyu n SER 72 N -3.09 0.00 -1.66 1.39 2.88 -1.26 -4.96 113.62 106.92 2fyu n SER 72 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2fyu n SER 72 Cb 0.15 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 2fyu n SER 72 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2fyu n LYS 73 N 0.00 -3.36 -4.97 -1.46 5.02 -1.26 -5.07 118.16 107.06 2fyu n LYS 73 Ca 0.00 2.45 -0.30 0.00 -2.02 0.00 0.00 58.31 58.45 2fyu n LYS 73 Cb 0.00 -2.91 -0.17 0.00 -0.02 0.00 0.00 35.03 31.93 2fyu n LYS 73 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2fyu s ILE 74 N -2.36 1.75 -0.09 -0.18 1.10 -1.23 -5.03 121.20 115.17 2fyu s ILE 74 Ca 0.00 -0.84 -0.29 0.00 -0.51 0.00 0.00 60.65 59.01 2fyu s ILE 74 Cb 0.00 -1.54 -0.02 0.00 0.15 0.00 0.00 42.46 41.05 2fyu s ILE 74 CO 0.00 0.49 0.97 -1.61 -2.11 0.00 0.00 174.94 172.68 2fyu s GLU 75 N 0.49 4.44 -0.10 3.50 2.02 -1.26 -3.15 118.70 124.63 2fyu s GLU 75 Ca -0.17 1.33 0.03 0.00 0.02 0.00 0.00 54.97 56.18 2fyu s GLU 75 Cb -0.17 -3.52 0.01 0.00 0.10 0.00 0.00 34.13 30.54 2fyu s GLU 75 CO 0.06 -0.24 -0.19 0.42 0.02 0.00 0.00 175.26 175.34 2fyu s ILE 76 N 1.75 1.72 -0.47 -1.63 1.01 -1.04 -5.05 121.20 117.48 2fyu s ILE 76 Ca 0.48 -0.80 -0.24 0.00 0.00 0.00 0.00 60.65 60.09 2fyu s ILE 76 Cb -0.19 -1.53 0.03 0.00 0.01 0.00 0.00 42.46 40.79 2fyu s ILE 76 CO 0.20 0.48 0.86 -0.54 0.00 0.00 0.00 174.94 175.94 2fyu s LYS 77 N 0.69 3.43 0.08 2.79 1.02 -1.26 -2.56 119.74 123.91 2fyu s LYS 77 Ca -0.12 -0.06 -0.15 0.00 0.02 0.00 0.00 55.97 55.67 2fyu s LYS 77 Cb -0.16 -3.96 -0.19 0.00 -0.52 0.00 0.00 37.83 33.00 2fyu s LYS 77 CO 0.03 -1.22 1.24 -0.07 -0.92 0.00 0.00 175.35 174.40 2fyu h LEU 78 N 10.43 0.85 -2.70 3.17 3.38 -1.13 -3.12 115.31 126.19 2fyu h LEU 78 Ca -0.25 -0.67 -0.00 0.00 0.09 0.00 0.00 57.88 57.05 2fyu h LEU 78 Cb 1.08 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2fyu h LEU 78 CO 1.01 1.40 -0.01 0.77 0.09 0.00 0.00 178.44 181.70 2fyu h SER 79 N 0.37 0.00 0.55 -0.43 4.64 -1.83 -1.84 113.55 115.02 2fyu h SER 79 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2fyu h SER 79 Cb 1.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 2fyu h SER 79 CO 0.16 0.01 0.00 0.47 -0.87 0.00 0.00 176.83 176.60 2fyu n ASP 80 N -3.40 0.00 -4.29 4.97 8.00 -1.18 -4.58 116.55 116.07 2fyu n ASP 80 Ca -0.03 0.12 -0.43 0.00 0.71 0.00 0.00 54.79 55.17 2fyu n ASP 80 Cb 0.09 -0.35 -0.08 0.00 -0.02 0.00 0.00 41.12 40.76 2fyu n ASP 80 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2fyu s ILE 81 N -2.70 4.68 0.84 0.53 1.01 -0.69 -5.11 121.20 119.75 2fyu s ILE 81 Ca 0.19 -1.44 -0.11 0.00 0.00 0.00 0.00 60.65 59.29 2fyu s ILE 81 Cb 0.16 -3.93 0.09 0.00 0.01 0.00 0.00 42.46 38.79 2fyu s ILE 81 CO 0.38 -0.67 1.09 -2.16 0.00 0.00 0.00 174.94 173.58 2fyu s PRO 82 N 1.50 1.75 0.21 2.79 0.04 -1.26 -4.84 135.00 135.19 2fyu s PRO 82 Ca 0.04 1.01 -0.32 0.00 0.04 0.00 0.00 61.00 61.78 2fyu s PRO 82 Cb -0.26 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.32 2fyu s PRO 82 CO 0.03 -1.95 1.69 -2.00 0.04 0.00 0.00 177.00 174.81 2fyu s GLU 83 N -4.91 4.13 0.00 4.56 2.12 -1.26 -2.62 118.70 120.72 2fyu s GLU 83 Ca 0.62 2.58 0.00 0.00 0.36 0.00 0.00 54.97 58.54 2fyu s GLU 83 Cb -0.18 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.14 2fyu s GLU 83 CO 0.57 -0.73 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 2fyu n GLY 84 N 3.74 2.86 3.83 -1.50 0.00 -1.09 -4.96 105.19 108.07 2fyu n GLY 84 Ca 0.15 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 2fyu n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fyu s LYS 85 N 0.00 4.00 -0.34 1.61 2.36 -1.08 -4.83 119.74 121.47 2fyu s LYS 85 Ca 0.00 0.51 -0.14 0.00 -2.55 0.00 0.00 55.97 53.79 2fyu s LYS 85 Cb 0.00 -3.19 -0.02 0.00 -1.05 0.00 0.00 37.83 33.58 2fyu s LYS 85 CO 0.00 0.65 0.29 1.21 1.55 0.00 0.00 175.35 179.05 2fyu s ASN 86 N -1.18 6.11 -0.15 1.43 2.47 -1.26 -2.44 114.94 119.91 2fyu s ASN 86 Ca 0.27 -0.33 -0.09 0.00 0.42 0.00 0.00 52.86 53.13 2fyu s ASN 86 Cb -0.17 -2.16 -0.04 0.00 -1.45 0.00 0.00 41.25 37.42 2fyu s ASN 86 CO 0.16 -0.27 0.16 -0.32 -3.72 0.00 0.00 177.10 173.11 2fyu s MET 87 N 1.84 3.79 -0.29 0.43 -2.45 0.10 -4.97 119.30 117.74 2fyu s MET 87 Ca 0.08 -0.12 -0.06 0.00 -1.25 0.00 0.00 55.69 54.34 2fyu s MET 87 Cb -0.17 -3.29 0.01 0.00 1.25 0.00 0.00 34.83 32.63 2fyu s MET 87 CO 0.11 0.57 0.06 0.00 1.05 0.00 0.00 175.02 176.81 2fyu s ALA 88 N -0.44 3.02 -0.02 4.11 0.00 -1.26 -1.12 121.76 126.04 2fyu s ALA 88 Ca 0.13 -1.48 0.02 0.00 0.00 0.00 0.00 51.96 50.63 2fyu s ALA 88 Cb -0.12 -2.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 2fyu s ALA 88 CO 0.02 -0.95 -0.06 -0.06 0.00 0.00 0.00 175.76 174.71 2fyu s PHE 89 N 1.47 2.93 -0.01 0.00 0.40 -0.01 -4.97 117.98 117.77 2fyu s PHE 89 Ca 0.02 -0.00 -0.30 0.00 -0.60 0.00 0.00 56.93 56.05 2fyu s PHE 89 Cb -0.17 -1.65 -0.07 0.00 0.51 0.00 0.00 43.02 41.64 2fyu s PHE 89 CO 0.02 0.37 1.69 0.21 0.70 0.00 0.00 175.22 178.20 2fyu s LYS 90 N -1.20 4.18 -0.11 0.44 2.20 -1.26 -0.30 119.74 123.70 2fyu s LYS 90 Ca 0.15 2.27 -0.09 0.00 -0.36 0.00 0.00 55.97 57.95 2fyu s LYS 90 Cb -0.11 -3.91 0.03 0.00 -1.51 0.00 0.00 37.83 32.34 2fyu s LYS 90 CO 0.05 -0.82 0.28 -0.46 -0.36 0.00 0.00 175.35 174.04 2fyu s TRP 91 N 3.72 -0.33 -0.52 4.03 -0.00 -1.26 -4.87 118.94 119.71 2fyu s TRP 91 Ca 0.75 0.79 0.00 0.00 -0.00 0.00 0.00 56.10 57.64 2fyu s TRP 91 Cb -0.36 0.10 0.00 0.00 -0.00 0.00 0.00 33.47 33.21 2fyu s TRP 91 CO 0.32 -0.18 0.00 -2.13 -0.00 0.00 0.00 176.95 174.96 2fyu n ARG 92 N 3.30 -1.83 0.00 5.86 0.63 -1.26 -0.52 116.66 122.83 2fyu n ARG 92 Ca -0.16 0.60 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 2fyu n ARG 92 Cb 0.57 -4.83 0.00 0.00 0.45 0.00 0.00 32.46 28.64 2fyu n ARG 92 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2fyu n GLY 93 N 0.53 3.40 2.99 5.14 0.00 -1.26 -5.08 105.19 110.91 2fyu n GLY 93 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 2fyu n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fyu s LYS 94 N -0.84 0.15 0.52 1.61 -0.14 0.32 -5.09 119.74 116.27 2fyu s LYS 94 Ca 0.00 0.40 -0.21 0.00 -1.36 0.00 0.00 55.97 54.81 2fyu s LYS 94 Cb 0.00 -0.11 -0.06 0.00 -1.68 0.00 0.00 37.83 35.98 2fyu s LYS 94 CO 0.00 -0.14 1.17 -2.14 -0.76 0.00 0.00 175.35 173.48 2fyu s PRO 95 N 1.01 3.41 -0.28 -1.68 0.02 -1.26 -4.40 135.00 131.82 2fyu s PRO 95 Ca -0.08 1.75 -0.07 0.00 0.02 0.00 0.00 61.00 62.62 2fyu s PRO 95 Cb -0.09 -2.15 -0.01 0.00 0.02 0.00 0.00 34.50 32.28 2fyu s PRO 95 CO -0.06 -0.83 0.08 -1.17 -0.33 0.00 0.00 177.00 174.69 2fyu s LEU 96 N -3.56 3.69 -0.25 -5.54 2.96 0.59 -0.43 118.68 116.14 2fyu s LEU 96 Ca 0.70 -0.52 -0.22 0.00 -0.22 0.00 0.00 54.13 53.88 2fyu s LEU 96 Cb -0.28 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 2fyu s LEU 96 CO 0.32 -0.13 0.69 -0.36 -1.32 0.00 0.00 176.35 175.54 2fyu s PHE 97 N 1.55 3.29 -0.18 5.38 0.08 0.78 -0.83 117.98 128.05 2fyu s PHE 97 Ca 0.04 0.92 -0.01 0.00 0.12 0.00 0.00 56.93 58.00 2fyu s PHE 97 Cb -0.16 -2.90 0.00 0.00 -0.57 0.00 0.00 43.02 39.39 2fyu s PHE 97 CO 0.03 -0.34 -0.14 0.08 -0.10 0.00 0.00 175.22 174.75 2fyu s VAL 98 N 2.58 2.70 -0.25 -0.44 1.01 -0.28 -0.84 120.40 124.88 2fyu s VAL 98 Ca 0.29 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 2fyu s VAL 98 Cb -0.15 -2.16 0.08 0.00 0.00 0.00 0.00 36.38 34.14 2fyu s VAL 98 CO 0.08 0.50 0.07 -0.60 0.00 0.00 0.00 175.10 175.15 2fyu s ARG 99 N 1.10 0.63 0.04 2.72 3.52 -0.78 -0.72 118.95 125.46 2fyu s ARG 99 Ca 0.00 -0.68 -0.31 0.00 -0.13 0.00 0.00 55.73 54.62 2fyu s ARG 99 Cb -0.14 -1.96 -0.07 0.00 -1.56 0.00 0.00 34.95 31.22 2fyu s ARG 99 CO -0.04 -0.81 1.47 -1.58 -0.81 0.00 0.00 175.30 173.53 2fyu s HIS 100 N 1.79 2.80 -0.20 5.12 5.65 -1.02 -2.29 115.29 127.14 2fyu s HIS 100 Ca 0.04 0.70 -0.05 0.00 0.25 0.00 0.00 55.06 56.00 2fyu s HIS 100 Cb -0.17 -3.76 -0.02 0.00 -1.18 0.00 0.00 32.58 27.45 2fyu s HIS 100 CO -0.18 -2.86 -0.00 1.03 -0.65 0.00 0.00 174.74 172.08 2fyu s ARG 101 N 2.22 3.61 0.63 2.88 0.52 0.59 -2.68 118.95 126.72 2fyu s ARG 101 Ca 0.67 -0.52 -0.18 0.00 -0.52 0.00 0.00 55.73 55.18 2fyu s ARG 101 Cb -0.35 -3.07 -0.01 0.00 0.52 0.00 0.00 34.95 32.03 2fyu s ARG 101 CO 0.29 0.01 1.21 0.95 0.02 0.00 0.00 175.30 177.78 2fyu s THR 102 N 1.00 2.53 0.32 0.02 -4.23 -1.26 -4.77 115.64 109.24 2fyu s THR 102 Ca 0.02 0.31 0.03 0.00 -1.18 0.00 0.00 61.69 60.87 2fyu s THR 102 Cb -0.14 -3.04 0.29 0.00 1.34 0.00 0.00 72.50 70.94 2fyu s THR 102 CO 0.02 -0.09 1.91 0.50 -0.54 0.00 0.00 174.62 176.41 2fyu h LYS 103 N 0.54 0.88 -1.00 3.99 3.64 -1.99 -1.69 116.57 120.94 2fyu h LYS 103 Ca -0.50 -0.05 0.14 0.00 -1.27 0.00 0.00 60.65 58.97 2fyu h LYS 103 Cb 1.30 -0.20 -0.09 0.00 -0.41 0.00 0.00 32.23 32.83 2fyu h LYS 103 CO 0.54 0.58 0.63 -0.22 -2.27 0.00 0.00 179.45 178.70 2fyu h LYS 104 N 0.91 0.90 -0.15 1.90 3.64 -1.99 -0.53 116.57 121.25 2fyu h LYS 104 Ca 0.40 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.65 2fyu h LYS 104 Cb 0.34 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2fyu h LYS 104 CO -0.16 0.59 -0.20 0.93 -2.27 0.00 0.00 179.45 178.34 2fyu h GLU 105 N 0.92 0.39 -0.61 1.90 5.08 -1.70 -2.24 114.58 118.32 2fyu h GLU 105 Ca 0.52 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.60 2fyu h GLU 105 Cb 0.61 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 2fyu h GLU 105 CO -0.29 0.81 0.19 0.82 -1.00 0.00 0.00 179.01 179.54 2fyu h ILE 106 N 0.01 1.24 -0.76 3.13 2.04 -1.27 -1.30 117.51 120.60 2fyu h ILE 106 Ca 0.02 -0.83 0.04 0.00 1.00 0.00 0.00 64.86 65.09 2fyu h ILE 106 Cb 0.77 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 2fyu h ILE 106 CO 0.05 0.31 0.47 0.44 0.00 0.00 0.00 178.15 179.42 2fyu h ASP 107 N 0.87 0.76 -0.24 1.72 3.32 -1.18 -2.64 116.42 119.02 2fyu h ASP 107 Ca 0.20 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.12 2fyu h ASP 107 Cb 0.29 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2fyu h ASP 107 CO -0.01 0.51 -0.31 1.56 -1.72 0.00 0.00 179.24 179.28 2fyu h GLN 108 N 0.90 0.75 0.00 3.56 4.20 -0.92 -2.65 115.11 120.94 2fyu h GLN 108 Ca 0.32 -0.34 -0.17 0.00 0.06 0.00 0.00 58.65 58.52 2fyu h GLN 108 Cb 0.07 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2fyu h GLN 108 CO -0.13 0.96 -0.79 0.93 -0.67 0.00 0.00 178.83 179.12 2fyu h GLU 109 N 0.64 0.00 -0.27 1.46 4.39 -1.30 -3.05 114.58 116.45 2fyu h GLU 109 Ca 0.07 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 2fyu h GLU 109 Cb 0.83 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 2fyu h GLU 109 CO 0.07 0.79 0.12 0.00 -1.16 0.00 0.00 179.01 178.84 2fyu h ALA 110 N 1.21 1.71 0.00 3.43 0.00 -1.46 -3.30 119.26 120.86 2fyu h ALA 110 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2fyu h ALA 110 Cb 1.61 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2fyu h ALA 110 CO 0.10 0.24 -0.18 0.00 0.00 0.00 0.00 179.25 179.40 2fyu n ALA 111 N -2.49 2.54 -2.09 0.00 0.00 -1.00 -4.89 120.51 112.58 2fyu n ALA 111 Ca 0.01 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 2fyu n ALA 111 Cb 0.11 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 2fyu n ALA 111 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2fyu s VAL 112 N -3.09 3.12 -0.17 0.00 1.01 -1.20 -4.98 120.40 115.09 2fyu s VAL 112 Ca 0.10 0.83 -0.29 0.00 0.00 0.00 0.00 61.98 62.62 2fyu s VAL 112 Cb 0.14 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2fyu s VAL 112 CO 0.62 0.08 1.80 -1.61 0.00 0.00 0.00 175.10 175.99 2fyu s GLU 113 N 0.87 3.73 0.19 2.72 0.41 -1.26 -4.94 118.70 120.42 2fyu s GLU 113 Ca 0.64 1.92 -0.06 0.00 -0.41 0.00 0.00 54.97 57.06 2fyu s GLU 113 Cb -0.38 -4.13 0.12 0.00 -1.78 0.00 0.00 34.13 27.96 2fyu s GLU 113 CO 0.32 -1.39 1.60 0.28 -0.49 0.00 0.00 175.26 175.58 2fyu h VAL 114 N 6.24 1.27 -0.25 2.63 2.07 -1.94 -3.22 116.25 123.05 2fyu h VAL 114 Ca -0.38 -1.37 -0.03 0.00 0.82 0.00 0.00 66.70 65.74 2fyu h VAL 114 Cb 1.19 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 2fyu h VAL 114 CO 0.98 0.46 0.02 0.77 0.02 0.00 0.00 177.57 179.83 2fyu h SER 115 N 0.73 0.34 0.66 0.57 4.64 -1.97 -3.23 113.55 115.29 2fyu h SER 115 Ca 0.10 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2fyu h SER 115 Cb 0.77 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2fyu h SER 115 CO 0.06 0.38 0.00 0.00 -0.87 0.00 0.00 176.83 176.40 2fyu n GLN 116 N -4.36 0.26 -3.01 4.77 1.13 -1.21 -4.92 117.38 110.03 2fyu n GLN 116 Ca 0.01 0.03 -0.29 0.00 -1.94 0.00 0.00 57.00 54.81 2fyu n GLN 116 Cb 0.19 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.01 2fyu n GLN 116 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2fyu s LEU 117 N -2.72 3.88 0.05 1.08 1.43 -1.22 -5.04 118.68 116.15 2fyu s LEU 117 Ca 0.22 0.92 -0.25 0.00 -1.03 0.00 0.00 54.13 53.98 2fyu s LEU 117 Cb 0.18 -3.79 -0.17 0.00 0.03 0.00 0.00 46.19 42.45 2fyu s LEU 117 CO 0.44 -0.35 1.56 0.03 0.23 0.00 0.00 176.35 178.26 2fyu h ARG 118 N 1.20 -0.18 -3.77 1.70 3.08 -1.91 -3.40 114.38 111.09 2fyu h ARG 118 Ca -0.47 0.01 -0.66 0.00 0.07 0.00 0.00 59.98 58.93 2fyu h ARG 118 Cb 1.19 0.04 -0.40 0.00 0.08 0.00 0.00 29.97 30.89 2fyu h ARG 118 CO 0.64 -0.01 -0.61 0.34 -1.07 0.00 0.00 179.97 179.27 2fyu s ASP 119 N -5.15 4.61 -0.67 7.04 2.15 -1.26 -5.02 116.67 118.36 2fyu s ASP 119 Ca -0.14 -2.75 -0.27 0.00 0.43 0.00 0.00 52.55 49.82 2fyu s ASP 119 Cb 0.04 -1.68 0.02 0.00 -0.30 0.00 0.00 42.92 41.00 2fyu s ASP 119 CO 0.64 -0.30 1.37 -2.16 -0.17 0.00 0.00 175.17 174.55 2fyu s PRO 120 N 0.09 3.17 -0.02 4.34 0.04 -1.26 -4.79 135.00 136.57 2fyu s PRO 120 Ca 0.15 0.06 0.03 0.00 0.04 0.00 0.00 61.00 61.29 2fyu s PRO 120 Cb -0.23 -4.18 -0.00 0.00 0.04 0.00 0.00 34.50 30.12 2fyu s PRO 120 CO -0.03 -2.13 -0.11 -0.65 0.04 0.00 0.00 177.00 174.12 2fyu s GLN 121 N 5.78 1.04 0.58 4.56 -0.21 -1.26 -5.10 119.66 125.05 2fyu s GLN 121 Ca 0.44 -0.40 -0.19 0.00 0.02 0.00 0.00 55.36 55.22 2fyu s GLN 121 Cb -0.09 -0.98 -0.04 0.00 1.00 0.00 0.00 33.01 32.89 2fyu s GLN 121 CO 0.19 0.21 1.18 -1.58 -2.12 0.00 0.00 175.29 173.17 2fyu s HIS 122 N -0.08 2.48 0.39 0.91 5.65 -1.26 -4.88 115.29 118.49 2fyu s HIS 122 Ca 0.01 1.52 0.05 0.00 0.25 0.00 0.00 55.06 56.90 2fyu s HIS 122 Cb -0.07 -3.42 0.77 0.00 -1.18 0.00 0.00 32.58 28.69 2fyu s HIS 122 CO 0.00 -2.01 2.04 0.22 -0.65 0.00 0.00 174.74 174.35 2fyu h ASP 123 N 0.99 0.57 -0.38 9.88 3.58 -1.97 -3.29 116.42 125.82 2fyu h ASP 123 Ca -0.50 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 56.84 2fyu h ASP 123 Cb 1.29 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 42.18 2fyu h ASP 123 CO 0.56 0.41 -0.09 -0.07 -2.88 0.00 0.00 179.24 177.17 2fyu h LEU 124 N 0.67 0.80 -0.55 2.28 3.38 -1.93 -2.27 115.31 117.68 2fyu h LEU 124 Ca 0.18 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2fyu h LEU 124 Cb -0.08 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.46 2fyu h LEU 124 CO -0.04 0.91 0.00 1.05 0.09 0.00 0.00 178.44 180.46 2fyu h GLU 125 N 0.74 0.00 0.05 1.13 4.11 -1.98 -3.33 114.58 115.29 2fyu h GLU 125 Ca 0.13 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.25 2fyu h GLU 125 Cb 0.57 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 2fyu h GLU 125 CO 0.04 0.00 -1.72 0.00 0.07 0.00 0.00 179.01 177.39 2fyu h ARG 126 N 0.00 0.10 -5.81 1.06 3.08 -1.49 -3.47 114.38 107.84 2fyu h ARG 126 Ca 0.00 -0.16 -0.67 0.00 0.07 0.00 0.00 59.98 59.22 2fyu h ARG 126 Cb 0.49 0.06 -0.23 0.00 0.08 0.00 0.00 29.97 30.38 2fyu h ARG 126 CO 0.00 0.77 -0.73 0.14 -1.07 0.00 0.00 179.97 179.08 2fyu s VAL 127 N -2.60 3.38 0.13 2.04 -7.23 -1.06 -4.95 120.40 110.12 2fyu s VAL 127 Ca -0.09 -0.58 -0.12 0.00 -1.81 0.00 0.00 61.98 59.38 2fyu s VAL 127 Cb 0.08 -2.39 -0.06 0.00 0.56 0.00 0.00 36.38 34.56 2fyu s VAL 127 CO 0.81 0.56 1.45 0.11 -0.31 0.00 0.00 175.10 177.73 2fyu h LYS 128 N 5.93 0.90 -3.29 4.82 1.79 -1.85 -3.46 116.57 121.41 2fyu h LYS 128 Ca -0.38 -0.49 -0.27 0.00 -2.18 0.00 0.00 60.65 57.33 2fyu h LYS 128 Cb 1.18 0.03 -0.33 0.00 -1.58 0.00 0.00 32.23 31.53 2fyu h LYS 128 CO 0.54 1.14 -0.64 0.21 -1.08 0.00 0.00 179.45 179.63 2fyu s LYS 129 N -4.34 0.05 0.55 3.15 2.47 -1.26 -5.10 119.74 115.26 2fyu s LYS 129 Ca -0.11 0.35 0.34 0.00 -1.56 0.00 0.00 55.97 54.99 2fyu s LYS 129 Cb 0.11 -0.22 1.39 0.00 -1.46 0.00 0.00 37.83 37.65 2fyu s LYS 129 CO 0.88 -0.19 2.00 -1.35 0.16 0.00 0.00 175.35 176.84 2fyu h PRO 130 N 7.42 0.00 0.00 4.03 0.11 -1.99 -1.20 132.00 140.37 2fyu h PRO 130 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2fyu h PRO 130 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2fyu h PRO 130 CO 0.40 0.01 0.00 1.05 -0.21 0.00 0.00 178.00 179.25 2fyu h GLU 131 N 0.00 0.00 -4.65 1.05 4.11 -1.95 -3.43 114.58 109.71 2fyu h GLU 131 Ca -0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.75 2fyu h GLU 131 Cb 0.50 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 29.39 2fyu h GLU 131 CO 0.00 0.00 -0.66 -1.58 0.07 0.00 0.00 179.01 176.84 2fyu s TRP 132 N -3.58 3.57 -0.31 2.06 0.52 -0.46 -0.30 118.94 120.44 2fyu s TRP 132 Ca 0.02 -2.53 -0.12 0.00 0.02 0.00 0.00 56.10 53.49 2fyu s TRP 132 Cb 0.09 -2.80 -0.03 0.00 -1.15 0.00 0.00 33.47 29.58 2fyu s TRP 132 CO 0.54 -0.93 0.24 0.54 0.02 0.00 0.00 176.95 177.36 2fyu s VAL 133 N 1.07 5.28 -0.16 4.03 0.11 -0.97 -4.60 120.40 125.15 2fyu s VAL 133 Ca 0.05 0.03 -0.01 0.00 -2.93 0.00 0.00 61.98 59.12 2fyu s VAL 133 Cb -0.21 -3.64 -0.01 0.00 -1.53 0.00 0.00 36.38 30.99 2fyu s VAL 133 CO -0.05 0.11 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.08 2fyu s ILE 134 N 1.79 3.00 0.00 7.04 1.09 -1.26 -1.88 121.20 130.99 2fyu s ILE 134 Ca 0.08 -0.65 0.01 0.00 -1.10 0.00 0.00 60.65 58.99 2fyu s ILE 134 Cb -0.17 -2.30 -0.01 0.00 -1.06 0.00 0.00 42.46 38.93 2fyu s ILE 134 CO 0.11 0.49 -0.04 -0.76 -0.10 0.00 0.00 174.94 174.64 2fyu s LEU 135 N 0.84 2.03 -0.08 2.97 1.43 -0.02 -4.34 118.68 121.51 2fyu s LEU 135 Ca -0.04 -0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 52.65 2fyu s LEU 135 Cb -0.15 -0.19 -0.05 0.00 0.03 0.00 0.00 46.19 45.82 2fyu s LEU 135 CO 0.00 0.02 1.71 -0.63 0.23 0.00 0.00 176.35 177.69 2fyu s ILE 136 N -0.23 3.51 -0.48 -0.59 -1.09 -0.43 -0.16 121.20 121.73 2fyu s ILE 136 Ca 0.00 0.60 -0.05 0.00 -2.23 0.00 0.00 60.65 58.97 2fyu s ILE 136 Cb -0.02 -3.43 -0.07 0.00 -1.58 0.00 0.00 42.46 37.35 2fyu s ILE 136 CO -0.00 -0.10 3.08 0.61 -1.23 0.00 0.00 174.94 177.30 2fyu n GLY 137 N 4.37 3.92 2.73 6.18 0.00 0.43 -4.21 105.19 118.60 2fyu n GLY 137 Ca 0.19 -1.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.36 2fyu n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fyu s VAL 138 N -0.47 0.26 0.31 1.61 1.01 -1.26 -4.22 120.40 117.63 2fyu s VAL 138 Ca 0.63 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.33 2fyu s VAL 138 Cb 0.32 -0.56 -0.11 0.00 0.00 0.00 0.00 36.38 36.03 2fyu s VAL 138 CO -0.11 0.10 1.51 0.00 0.00 0.00 0.00 175.10 176.60 2fyu n THR 140 N 1.68 0.29 0.00 0.00 -2.24 -1.26 -2.35 114.28 110.40 2fyu n THR 140 Ca 0.05 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2fyu n THR 140 Cb 0.39 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 2fyu n THR 140 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2fyu n HIS 141 N -1.47 0.00 -1.23 4.78 -0.00 -1.26 -4.52 115.22 111.52 2fyu n HIS 141 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 2fyu n HIS 141 Cb 0.28 -0.18 0.01 0.00 -0.00 0.00 0.00 29.99 30.09 2fyu n HIS 141 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2fyu n LEU 142 N -1.05 0.23 0.00 0.27 4.77 -1.25 -4.99 117.00 114.97 2fyu n LEU 142 Ca 0.00 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 2fyu n LEU 142 Cb 0.00 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2fyu n LEU 142 CO 0.00 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 2fyu n GLY 143 N -0.09 0.66 3.74 -0.72 0.00 -0.99 -5.05 105.19 102.73 2fyu n GLY 143 Ca 0.01 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 2fyu n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fyu s VAL 145 N -2.20 4.85 0.30 0.00 1.01 -1.26 -1.49 120.40 121.61 2fyu s VAL 145 Ca 0.71 0.35 -0.29 0.00 0.00 0.00 0.00 61.98 62.75 2fyu s VAL 145 Cb -0.25 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 31.88 2fyu s VAL 145 CO 0.45 -0.47 1.30 -2.84 0.00 0.00 0.00 175.10 173.55 2fyu s PRO 146 N 2.79 4.38 -0.03 2.72 0.02 -1.26 -4.80 135.00 138.82 2fyu s PRO 146 Ca 0.24 2.16 -0.30 0.00 0.02 0.00 0.00 61.00 63.12 2fyu s PRO 146 Cb -0.14 -3.10 -0.05 0.00 0.02 0.00 0.00 34.50 31.23 2fyu s PRO 146 CO 0.17 -0.19 1.34 0.42 -0.33 0.00 0.00 177.00 178.41 2fyu s ILE 147 N -0.82 3.92 0.37 2.83 1.01 0.65 -4.87 121.20 124.27 2fyu s ILE 147 Ca 0.51 1.26 -0.28 0.00 0.00 0.00 0.00 60.65 62.14 2fyu s ILE 147 Cb -0.39 -3.81 -0.11 0.00 0.01 0.00 0.00 42.46 38.16 2fyu s ILE 147 CO 0.49 -0.01 1.44 0.00 0.00 0.00 0.00 174.94 176.85 2fyu s ALA 148 N 2.47 3.55 -1.16 9.38 0.00 -1.26 -2.01 121.76 132.73 2fyu s ALA 148 Ca 0.61 1.50 -0.05 0.00 0.00 0.00 0.00 51.96 54.02 2fyu s ALA 148 Cb -0.29 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.26 2fyu s ALA 148 CO 0.24 -0.95 1.00 0.09 0.00 0.00 0.00 175.76 176.14 2fyu n ASN 149 N 0.53 -4.48 -4.12 0.00 3.02 -0.01 -4.94 115.26 105.27 2fyu n ASN 149 Ca 0.01 -0.51 -0.08 0.00 -0.03 0.00 0.00 54.58 53.96 2fyu n ASN 149 Cb 0.40 -4.59 -0.10 0.00 -0.61 0.00 0.00 39.78 34.88 2fyu n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2fyu s ALA 150 N -3.30 0.69 0.00 5.41 0.00 -1.23 -4.92 121.76 118.41 2fyu s ALA 150 Ca 0.33 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.96 2fyu s ALA 150 Cb -0.15 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.48 2fyu s ALA 150 CO 0.65 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.41 2fyu n GLY 151 N 0.01 -1.41 1.00 0.00 0.00 -1.26 -2.81 105.19 100.72 2fyu n GLY 151 Ca -0.10 -2.08 0.11 0.00 0.00 0.00 0.00 46.02 43.95 2fyu n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fyu n ASP 152 N 0.00 2.98 0.00 1.61 8.00 -1.26 -4.45 116.55 123.44 2fyu n ASP 152 Ca 0.00 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.57 2fyu n ASP 152 Cb 0.00 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 2fyu n ASP 152 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2fyu n PHE 153 N 1.18 0.00 -1.19 1.24 3.01 -1.26 -5.04 117.46 115.40 2fyu n PHE 153 Ca 0.18 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.58 2fyu n PHE 153 Cb 0.53 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.97 2fyu n PHE 153 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2fyu n GLY 154 N 0.35 0.87 0.00 1.37 0.00 -1.26 -4.52 105.19 102.00 2fyu n GLY 154 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2fyu n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fyu n GLY 155 N -1.93 -0.13 3.07 -0.02 0.00 -1.16 -4.59 105.19 100.42 2fyu n GLY 155 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 2fyu n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fyu s TYR 156 N 0.00 -0.31 -0.16 1.61 1.51 -0.29 -0.83 117.35 118.89 2fyu s TYR 156 Ca 0.00 0.74 0.01 0.00 -1.01 0.00 0.00 57.07 56.81 2fyu s TYR 156 Cb 0.00 0.05 0.01 0.00 -0.11 0.00 0.00 41.96 41.91 2fyu s TYR 156 CO 0.00 -0.20 -0.18 -0.47 -1.11 0.00 0.00 175.55 173.58 2fyu s TYR 157 N 0.98 2.75 -0.46 2.71 5.04 -0.85 -0.12 117.35 127.40 2fyu s TYR 157 Ca -0.07 -1.28 -0.26 0.00 -2.44 0.00 0.00 57.07 53.02 2fyu s TYR 157 Cb -0.08 -1.88 0.03 0.00 0.35 0.00 0.00 41.96 40.37 2fyu s TYR 157 CO -0.06 -0.60 0.94 0.00 -1.34 0.00 0.00 175.55 174.48 2fyu n PRO 159 N 7.19 0.07 0.08 0.00 -0.04 -1.26 -2.80 135.00 138.24 2fyu n PRO 159 Ca 0.06 0.30 -0.13 0.00 -0.04 0.00 0.00 63.50 63.69 2fyu n PRO 159 Cb 0.49 -1.63 -0.08 0.00 -0.04 0.00 0.00 33.50 32.23 2fyu n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fyu n HIS 161 N -5.03 0.00 0.00 0.00 8.25 -1.26 -5.07 115.22 112.11 2fyu n HIS 161 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2fyu n HIS 161 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 2fyu n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2fyu n GLY 162 N 0.03 0.74 3.68 -1.41 0.00 -1.12 -4.65 105.19 102.46 2fyu n GLY 162 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2fyu n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fyu s SER 163 N -1.38 7.04 -0.29 1.61 0.01 -1.18 -3.95 113.70 115.56 2fyu s SER 163 Ca 0.00 1.28 -0.07 0.00 1.31 0.00 0.00 55.95 58.47 2fyu s SER 163 Cb 0.00 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2fyu s SER 163 CO 0.00 -0.38 0.07 -1.00 0.41 0.00 0.00 173.24 172.34 2fyu s HIS 164 N 1.96 3.13 -0.02 2.43 0.09 -0.16 -1.58 115.29 121.14 2fyu s HIS 164 Ca 0.41 -0.93 0.01 0.00 -0.00 0.00 0.00 55.06 54.55 2fyu s HIS 164 Cb -0.17 -2.25 -0.03 0.00 -0.00 0.00 0.00 32.58 30.13 2fyu s HIS 164 CO 0.15 -0.55 -0.01 0.71 -0.00 0.00 0.00 174.74 175.03 2fyu s TYR 165 N 1.51 3.06 0.77 1.40 1.51 0.83 -1.15 117.35 125.29 2fyu s TYR 165 Ca 0.03 0.09 -0.12 0.00 -1.01 0.00 0.00 57.07 56.06 2fyu s TYR 165 Cb -0.17 -1.69 0.17 0.00 -0.11 0.00 0.00 41.96 40.17 2fyu s TYR 165 CO 0.02 0.44 1.05 -0.40 -1.11 0.00 0.00 175.55 175.55 2fyu n ASP 166 N 1.63 0.22 0.20 2.29 5.68 -0.66 -1.13 116.55 124.77 2fyu n ASP 166 Ca -0.16 -1.46 0.14 0.00 -0.50 0.00 0.00 54.79 52.81 2fyu n ASP 166 Cb 0.53 -0.79 0.70 0.00 -1.14 0.00 0.00 41.12 40.42 2fyu n ASP 166 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2fyu h ALA 167 N -1.66 1.00 -0.01 2.12 0.00 -1.81 -0.08 119.26 118.82 2fyu h ALA 167 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2fyu h ALA 167 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2fyu h ALA 167 CO 0.25 0.00 -0.06 0.45 0.00 0.00 0.00 179.25 179.90 2fyu n SER 168 N -2.50 0.81 -0.68 0.00 2.88 -1.26 -4.94 113.62 107.93 2fyu n SER 168 Ca -0.01 -1.06 -0.09 0.00 -1.33 0.00 0.00 58.87 56.39 2fyu n SER 168 Cb 0.12 -0.01 -0.04 0.00 -0.75 0.00 0.00 64.21 63.53 2fyu n SER 168 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2fyu n GLY 169 N 1.18 1.06 3.73 0.46 0.00 -0.04 -4.86 105.19 106.71 2fyu n GLY 169 Ca 0.18 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 2fyu n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fyu s ARG 170 N -2.67 4.47 0.19 1.61 0.52 -1.26 -0.45 118.95 121.36 2fyu s ARG 170 Ca 0.00 1.00 -0.31 0.00 -0.52 0.00 0.00 55.73 55.90 2fyu s ARG 170 Cb 0.00 -3.42 -0.09 0.00 0.52 0.00 0.00 34.95 31.96 2fyu s ARG 170 CO 0.00 0.13 1.43 -1.50 0.02 0.00 0.00 175.30 175.38 2fyu s ILE 171 N 0.53 2.88 0.00 1.52 1.10 -1.26 -1.66 121.20 124.32 2fyu s ILE 171 Ca 0.39 0.69 0.00 0.00 -0.51 0.00 0.00 60.65 61.22 2fyu s ILE 171 Cb -0.19 -3.44 0.00 0.00 0.15 0.00 0.00 42.46 38.98 2fyu s ILE 171 CO 0.21 0.09 0.00 0.54 -2.11 0.00 0.00 174.94 173.66 2fyu n ARG 172 N 3.06 0.84 -3.80 3.50 5.12 -0.30 -4.48 116.66 120.60 2fyu n ARG 172 Ca 0.09 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.89 2fyu n ARG 172 Cb 0.41 -0.84 -0.10 0.00 -1.16 0.00 0.00 32.46 30.77 2fyu n ARG 172 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2fyu s LYS 173 N -1.69 0.54 0.76 5.56 2.20 -1.19 -5.00 119.74 120.91 2fyu s LYS 173 Ca 0.00 -0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 2fyu s LYS 173 Cb 0.00 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.56 2fyu s LYS 173 CO 0.00 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.27 2fyu n GLY 174 N 1.64 -1.92 0.25 5.54 0.00 -1.25 -0.99 105.19 108.45 2fyu n GLY 174 Ca -0.20 -1.62 0.16 0.00 0.00 0.00 0.00 46.02 44.35 2fyu n GLY 174 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2fyu h PRO 175 N 0.00 0.00 -6.56 1.61 0.11 -1.82 -3.46 132.00 121.88 2fyu h PRO 175 Ca 0.00 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.58 2fyu h PRO 175 Cb 0.00 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.13 2fyu h PRO 175 CO 0.00 0.00 0.65 0.00 -0.21 0.00 0.00 178.00 178.44 2fyu s ALA 176 N -3.51 3.51 0.06 -0.75 0.00 -1.26 -4.92 121.76 114.88 2fyu s ALA 176 Ca 0.03 1.02 0.15 0.00 0.00 0.00 0.00 51.96 53.16 2fyu s ALA 176 Cb 0.08 -3.49 0.31 0.00 0.00 0.00 0.00 23.12 20.02 2fyu s ALA 176 CO 0.58 -0.53 1.56 -1.00 0.00 0.00 0.00 175.76 176.37 2fyu h PRO 177 N 6.46 0.00 -4.62 0.00 0.13 -1.90 -3.48 132.00 128.59 2fyu h PRO 177 Ca -0.43 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.40 2fyu h PRO 177 Cb 1.21 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.12 2fyu h PRO 177 CO 0.82 0.53 -0.74 -0.51 -0.23 0.00 0.00 178.00 177.87 2fyu s LEU 178 N -6.84 2.21 0.44 1.56 1.43 -1.26 -4.39 118.68 111.83 2fyu s LEU 178 Ca 0.01 -0.48 -0.24 0.00 -1.03 0.00 0.00 54.13 52.39 2fyu s LEU 178 Cb 0.10 -0.23 -0.09 0.00 0.03 0.00 0.00 46.19 45.99 2fyu s LEU 178 CO 0.73 -0.14 1.17 0.59 0.23 0.00 0.00 176.35 178.93 2fyu n ASN 179 N 1.71 2.01 -4.70 2.29 3.02 -1.26 -4.47 115.26 113.86 2fyu n ASN 179 Ca -0.21 1.06 -0.42 0.00 -0.03 0.00 0.00 54.58 54.98 2fyu n ASN 179 Cb 0.55 -1.45 -0.01 0.00 -0.61 0.00 0.00 39.78 38.27 2fyu n ASN 179 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2fyu n LEU 180 N 0.17 3.64 -4.66 3.41 4.77 0.40 -4.85 117.00 119.88 2fyu n LEU 180 Ca 0.08 1.21 -0.42 0.00 -0.03 0.00 0.00 56.01 56.85 2fyu n LEU 180 Cb 0.40 -1.49 -0.03 0.00 -2.33 0.00 0.00 43.42 39.97 2fyu n LEU 180 CO 0.57 -0.45 1.41 -0.70 -1.33 0.00 0.00 177.39 176.89 2fyu s GLU 181 N -1.90 4.18 -0.36 3.23 2.12 -1.26 -4.91 118.70 119.79 2fyu s GLU 181 Ca 0.55 2.28 -0.29 0.00 0.36 0.00 0.00 54.97 57.88 2fyu s GLU 181 Cb -0.56 -3.98 0.02 0.00 0.26 0.00 0.00 34.13 29.87 2fyu s GLU 181 CO 0.62 -0.85 1.08 0.08 -0.54 0.00 0.00 175.26 175.65 2fyu s VAL 182 N 3.98 4.43 0.83 3.70 1.01 -1.26 -1.31 120.40 131.78 2fyu s VAL 182 Ca 0.76 1.57 -0.11 0.00 0.00 0.00 0.00 61.98 64.20 2fyu s VAL 182 Cb -0.36 -4.46 0.09 0.00 0.00 0.00 0.00 36.38 31.65 2fyu s VAL 182 CO 0.32 -0.63 1.09 -2.16 0.00 0.00 0.00 175.10 173.73 2fyu s PRO 183 N 3.86 1.79 -0.18 2.72 0.04 -1.26 -4.99 135.00 136.98 2fyu s PRO 183 Ca 0.46 0.77 -0.29 0.00 0.04 0.00 0.00 61.00 61.98 2fyu s PRO 183 Cb -0.11 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 2fyu s PRO 183 CO 0.20 -1.86 1.38 0.45 0.04 0.00 0.00 177.00 177.21 2fyu s SER 184 N -3.66 6.79 0.02 6.66 0.15 -1.26 -5.02 113.70 117.38 2fyu s SER 184 Ca 0.62 1.69 -0.01 0.00 0.70 0.00 0.00 55.95 58.96 2fyu s SER 184 Cb -0.16 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.59 2fyu s SER 184 CO 0.56 -0.90 -0.02 -0.72 1.20 0.00 0.00 173.24 173.36 2fyu s TYR 185 N 3.94 0.25 0.03 3.44 -0.85 -1.26 -1.14 117.35 121.76 2fyu s TYR 185 Ca 0.60 -0.51 0.02 0.00 -0.52 0.00 0.00 57.07 56.66 2fyu s TYR 185 Cb -0.23 -0.18 -0.02 0.00 0.38 0.00 0.00 41.96 41.90 2fyu s TYR 185 CO 0.20 -0.20 -0.08 -1.83 -1.52 0.00 0.00 175.55 172.12 2fyu s GLU 186 N -1.50 0.54 -0.29 -3.49 -1.05 -1.23 -5.04 118.70 106.63 2fyu s GLU 186 Ca -0.15 -0.66 -0.14 0.00 -0.15 0.00 0.00 54.97 53.87 2fyu s GLU 186 Cb -0.09 -0.37 -0.04 0.00 -0.44 0.00 0.00 34.13 33.19 2fyu s GLU 186 CO -0.01 0.08 0.31 -0.06 0.95 0.00 0.00 175.26 176.52 2fyu s PHE 187 N -1.11 3.23 -0.22 4.83 0.08 -1.26 -3.88 117.98 119.65 2fyu s PHE 187 Ca -0.07 0.21 0.01 0.00 0.12 0.00 0.00 56.93 57.20 2fyu s PHE 187 Cb -0.08 -2.53 -0.19 0.00 -0.57 0.00 0.00 43.02 39.64 2fyu s PHE 187 CO 0.00 -0.25 -0.08 0.25 -0.10 0.00 0.00 175.22 175.05 2fyu n THR 188 N 5.12 1.55 -4.42 0.64 -2.24 -1.26 -4.99 114.28 108.69 2fyu n THR 188 Ca -0.10 -0.60 -0.22 0.00 -2.27 0.00 0.00 64.05 60.86 2fyu n THR 188 Cb 0.51 -1.45 -0.10 0.00 -2.10 0.00 0.00 70.33 67.18 2fyu n THR 188 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2fyu s SER 189 N -6.60 3.11 -0.03 3.42 0.01 -1.24 -5.05 113.70 107.34 2fyu s SER 189 Ca -0.31 -1.04 0.05 0.00 1.31 0.00 0.00 55.95 55.96 2fyu s SER 189 Cb 0.08 -0.22 0.19 0.00 0.21 0.00 0.00 66.02 66.28 2fyu s SER 189 CO 0.65 -0.08 1.00 -0.90 0.41 0.00 0.00 173.24 174.32 2fyu n ASP 190 N -0.52 1.58 -0.10 2.44 5.75 -1.26 -3.78 116.55 120.66 2fyu n ASP 190 Ca -0.06 -2.11 -0.12 0.00 -0.01 0.00 0.00 54.79 52.49 2fyu n ASP 190 Cb 0.60 -0.32 -0.14 0.00 -1.03 0.00 0.00 41.12 40.23 2fyu n ASP 190 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2fyu n ASP 191 N 0.11 0.71 -3.88 -1.12 5.75 -1.26 -4.66 116.55 112.20 2fyu n ASP 191 Ca 0.07 -0.04 -0.19 0.00 -0.01 0.00 0.00 54.79 54.62 2fyu n ASP 191 Cb 0.31 0.59 -0.16 0.00 -1.03 0.00 0.00 41.12 40.83 2fyu n ASP 191 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 2fyu s MET 192 N -2.48 0.68 -0.14 0.11 -1.94 -1.25 -0.51 119.30 113.77 2fyu s MET 192 Ca -0.17 -0.08 -0.00 0.00 -1.71 0.00 0.00 55.69 53.74 2fyu s MET 192 Cb 0.07 -0.72 -0.01 0.00 2.01 0.00 0.00 34.83 36.18 2fyu s MET 192 CO 0.74 -0.07 -0.13 0.54 -0.01 0.00 0.00 175.02 176.08 2fyu s VAL 193 N 0.83 2.98 -0.21 -6.03 0.11 -1.06 -3.64 120.40 113.37 2fyu s VAL 193 Ca -0.10 -0.68 -0.15 0.00 -2.93 0.00 0.00 61.98 58.12 2fyu s VAL 193 Cb -0.13 -2.25 -0.04 0.00 -1.53 0.00 0.00 36.38 32.42 2fyu s VAL 193 CO -0.00 0.52 0.36 -0.63 -3.33 0.00 0.00 175.10 172.01 2fyu s ILE 194 N 0.48 5.22 -0.20 7.04 1.01 -1.25 -2.49 121.20 131.01 2fyu s ILE 194 Ca -0.09 0.61 -0.04 0.00 0.00 0.00 0.00 60.65 61.12 2fyu s ILE 194 Cb -0.16 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 2fyu s ILE 194 CO 0.04 0.26 -0.03 -0.69 0.00 0.00 0.00 174.94 174.53 2fyu s VAL 195 N 1.30 3.67 0.00 2.92 1.01 -1.19 -3.48 120.40 124.63 2fyu s VAL 195 Ca 0.17 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2fyu s VAL 195 Cb -0.15 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.58 2fyu s VAL 195 CO 0.07 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.22