#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h n THR 26 N 0.00 0.40 -2.22 3.15 -1.04 -1.26 -4.82 114.28 108.50 3f1h n THR 26 Ca 0.00 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.05 61.49 3f1h n THR 26 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 3f1h n THR 26 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 3f1h s TYR 27 N -0.20 2.95 -0.23 -1.42 5.04 -1.26 -5.02 117.35 117.21 3f1h s TYR 27 Ca 0.13 0.86 -0.10 0.00 -2.44 0.00 0.00 57.07 55.53 3f1h s TYR 27 Cb -0.19 -3.66 -0.05 0.00 0.35 0.00 0.00 41.96 38.42 3f1h s TYR 27 CO 0.11 -2.39 0.13 0.08 -1.34 0.00 0.00 175.55 172.14 3f1h s VAL 28 N 2.07 5.14 0.55 3.14 1.01 -1.26 -5.06 120.40 125.98 3f1h s VAL 28 Ca 0.64 0.10 -0.19 0.00 0.00 0.00 0.00 61.98 62.53 3f1h s VAL 28 Cb -0.32 -3.38 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 3f1h s VAL 28 CO 0.27 0.37 1.11 -2.16 0.00 0.00 0.00 175.10 174.69 3f1h s PRO 29 N 0.98 3.39 0.00 2.72 0.04 -1.26 -5.07 135.00 135.79 3f1h s PRO 29 Ca 0.06 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.64 3f1h s PRO 29 Cb -0.13 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.39 3f1h s PRO 29 CO 0.04 -0.81 0.00 1.63 0.04 0.00 0.00 177.00 177.90 3f1h n LYS 30 N -1.37 1.00 -1.78 4.56 4.76 -1.26 -4.99 118.16 119.07 3f1h n LYS 30 Ca 0.11 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.14 3f1h n LYS 30 Cb 0.51 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.68 3f1h n LYS 30 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3f1h s GLN 31 N -1.82 2.92 0.00 1.97 -1.52 -1.26 -4.96 119.66 114.99 3f1h s GLN 31 Ca 0.00 1.52 0.00 0.00 -1.95 0.00 0.00 55.36 54.93 3f1h s GLN 31 Cb 0.00 -4.36 0.00 0.00 -0.22 0.00 0.00 33.01 28.43 3f1h s GLN 31 CO 0.00 -2.35 0.00 1.33 -0.25 0.00 0.00 175.29 174.02 3f1h n VAL 32 N 7.63 0.00 -3.78 1.09 0.24 -1.26 -5.12 118.33 117.13 3f1h n VAL 32 Ca 0.28 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.45 3f1h n VAL 32 Cb 0.48 -0.31 -0.12 0.00 -1.47 0.00 0.00 33.84 32.43 3f1h n VAL 32 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3f1h s GLU 33 N 0.54 0.25 0.18 7.34 2.56 -1.26 -5.13 118.70 123.18 3f1h s GLU 33 Ca 0.00 0.37 -0.33 0.00 0.00 0.00 0.00 54.97 55.01 3f1h s GLU 33 Cb 0.00 0.07 -0.15 0.00 2.00 0.00 0.00 34.13 36.05 3f1h s GLU 33 CO 0.00 -0.06 1.41 -0.35 -0.56 0.00 0.00 175.26 175.69 3f1h n PRO 34 N 3.27 1.77 -3.64 4.30 -0.04 -1.26 -4.96 135.00 134.43 3f1h n PRO 34 Ca -0.16 0.63 -0.39 0.00 -0.04 0.00 0.00 63.50 63.55 3f1h n PRO 34 Cb 0.57 -2.30 -0.09 0.00 -0.04 0.00 0.00 33.50 31.65 3f1h n PRO 34 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3f1h s ARG 35 N 0.17 2.51 0.40 0.54 3.52 -1.26 -4.97 118.95 119.86 3f1h s ARG 35 Ca 0.75 -2.14 -0.27 0.00 -0.13 0.00 0.00 55.73 53.95 3f1h s ARG 35 Cb -0.75 -3.82 -0.09 0.00 -1.56 0.00 0.00 34.95 28.73 3f1h s ARG 35 CO 0.46 -1.17 1.37 -1.58 -0.81 0.00 0.00 175.30 173.57 3f1h s TRP 36 N 0.65 2.71 0.51 5.12 0.52 -1.26 -2.63 118.94 124.55 3f1h s TRP 36 Ca 0.12 1.33 0.02 0.00 0.02 0.00 0.00 56.10 57.58 3f1h s TRP 36 Cb -0.22 -3.81 0.02 0.00 -1.15 0.00 0.00 33.47 28.31 3f1h s TRP 36 CO -0.03 -2.45 0.13 0.28 0.02 0.00 0.00 176.95 174.89 3f1h n VAL 37 N 0.21 0.00 -3.33 4.03 0.31 0.01 -4.29 118.33 115.26 3f1h n VAL 37 Ca 0.03 -2.27 -0.12 0.00 -0.01 0.00 0.00 64.34 61.97 3f1h n VAL 37 Cb 0.42 0.31 -0.07 0.00 -0.91 0.00 0.00 33.84 33.59 3f1h n VAL 37 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3f1h s LEU 38 N 0.00 -0.57 0.32 7.52 1.98 -1.04 -3.44 118.68 123.44 3f1h s LEU 38 Ca 0.10 -0.73 -0.18 0.00 -2.89 0.00 0.00 54.13 50.43 3f1h s LEU 38 Cb -0.01 0.92 -0.09 0.00 0.66 0.00 0.00 46.19 47.67 3f1h s LEU 38 CO 0.06 -0.33 0.78 -0.63 -1.89 0.00 0.00 176.35 174.34 3f1h s ILE 39 N 2.24 4.57 0.00 6.68 -1.09 0.33 -1.44 121.20 132.49 3f1h s ILE 39 Ca 0.11 1.19 0.00 0.00 -2.23 0.00 0.00 60.65 59.72 3f1h s ILE 39 Cb -0.13 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 3f1h s ILE 39 CO -0.24 -0.09 0.00 -0.67 -1.23 0.00 0.00 174.94 172.71 3f1h n ASP 40 N -0.07 0.00 0.00 3.58 4.64 -1.26 -3.08 116.55 120.35 3f1h n ASP 40 Ca 0.03 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.44 3f1h n ASP 40 Cb 0.53 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.61 3f1h n ASP 40 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3f1h n ALA 41 N -3.00 0.00 -1.72 -1.67 0.00 -1.22 -2.28 120.51 110.63 3f1h n ALA 41 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3f1h n ALA 41 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3f1h n ALA 41 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3f1h n GLU 42 N 0.00 2.57 0.00 0.00 0.28 -1.25 -1.85 120.64 120.39 3f1h n GLU 42 Ca 0.00 0.92 0.00 0.00 -0.16 0.00 0.00 57.16 57.92 3f1h n GLU 42 Cb 0.00 -2.70 0.00 0.00 1.43 0.00 0.00 31.44 30.17 3f1h n GLU 42 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3f1h n GLY 43 N 2.78 2.08 3.71 -1.84 0.00 -0.67 -4.99 105.19 106.26 3f1h n GLY 43 Ca 0.12 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 3f1h n GLY 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f1h n LYS 44 N 0.00 2.11 -2.37 1.61 4.76 -0.77 -4.25 118.16 119.25 3f1h n LYS 44 Ca 0.00 0.75 -0.42 0.00 -2.87 0.00 0.00 58.31 55.77 3f1h n LYS 44 Cb 0.00 -2.41 -0.03 0.00 -1.84 0.00 0.00 35.03 30.75 3f1h n LYS 44 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3f1h s THR 45 N -1.15 3.80 0.01 -0.18 2.01 -1.26 -2.16 115.64 116.71 3f1h s THR 45 Ca 0.58 1.35 -0.03 0.00 0.31 0.00 0.00 61.69 63.90 3f1h s THR 45 Cb -0.52 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.11 3f1h s THR 45 CO 0.60 0.14 1.05 0.25 -0.69 0.00 0.00 174.62 175.97 3f1h h LEU 46 N 6.37 -0.18 -0.04 4.42 5.85 -1.81 -0.02 115.31 129.90 3f1h h LEU 46 Ca -0.42 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.36 3f1h h LEU 46 Cb 1.21 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.26 3f1h h LEU 46 CO 0.80 -0.03 -0.39 1.23 -0.34 0.00 0.00 178.44 179.71 3f1h h GLY 47 N -0.02 -0.68 1.38 3.75 0.00 -1.93 -1.85 103.07 103.71 3f1h h GLY 47 Ca 0.01 0.48 0.04 0.00 0.00 0.00 0.00 47.33 47.86 3f1h h GLY 47 CO -0.06 -0.24 0.33 3.21 0.00 0.00 0.00 176.54 179.78 3f1h h ARG 48 N -0.52 0.52 0.22 4.80 2.47 -1.92 -1.50 114.38 118.45 3f1h h ARG 48 Ca 0.06 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 3f1h h ARG 48 Cb 0.62 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 3f1h h ARG 48 CO -0.33 0.34 -0.11 1.25 0.56 0.00 0.00 179.97 181.69 3f1h h LEU 49 N 0.53 -0.25 -0.66 3.04 5.85 -0.62 -3.16 115.31 120.05 3f1h h LEU 49 Ca 0.20 -0.25 0.13 0.00 0.84 0.00 0.00 57.88 58.81 3f1h h LEU 49 Cb 0.15 0.06 -0.12 0.00 0.37 0.00 0.00 40.66 41.12 3f1h h LEU 49 CO -0.05 0.15 -0.15 0.00 -0.34 0.00 0.00 178.44 178.04 3f1h h ALA 50 N -0.05 0.45 -0.11 1.25 0.00 -0.58 -0.47 119.26 119.76 3f1h h ALA 50 Ca -0.03 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3f1h h ALA 50 Cb 0.48 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3f1h h ALA 50 CO 0.05 -0.42 -0.12 1.15 0.00 0.00 0.00 179.25 179.91 3f1h h THR 51 N 0.01 0.00 -0.55 0.00 2.02 -1.29 -0.63 112.91 112.48 3f1h h THR 51 Ca 0.32 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.60 3f1h h THR 51 Cb 0.49 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.79 3f1h h THR 51 CO -0.67 0.00 -0.27 0.11 0.37 0.00 0.00 175.52 175.07 3f1h h LYS 52 N -0.07 -0.13 -0.35 6.66 1.79 -1.40 -2.82 116.57 120.26 3f1h h LYS 52 Ca 0.02 0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.57 3f1h h LYS 52 Cb 0.12 0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 30.71 3f1h h LYS 52 CO -0.14 -0.08 -0.36 0.82 -1.08 0.00 0.00 179.45 178.61 3f1h h ILE 53 N -0.13 0.20 -0.91 1.86 2.04 0.32 -1.20 117.51 119.68 3f1h h ILE 53 Ca 0.24 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.16 3f1h h ILE 53 Cb 0.52 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 3f1h h ILE 53 CO -0.63 0.00 0.57 0.00 0.00 0.00 0.00 178.15 178.10 3f1h h ALA 54 N 0.59 1.26 0.00 1.87 0.00 -0.93 -0.18 119.26 121.87 3f1h h ALA 54 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3f1h h ALA 54 Cb 0.56 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3f1h h ALA 54 CO -0.52 0.34 0.00 2.41 0.00 0.00 0.00 179.25 181.48 3f1h n THR 55 N -4.58 1.58 -0.05 0.00 -1.04 -0.47 0.12 114.28 109.85 3f1h n THR 55 Ca 0.14 0.40 -0.21 0.00 -2.04 0.00 0.00 64.05 62.33 3f1h n THR 55 Cb 0.18 -1.30 -0.13 0.00 -1.82 0.00 0.00 70.33 67.26 3f1h n THR 55 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3f1h n LEU 56 N -1.50 2.67 0.01 -4.42 4.32 -0.15 -3.43 117.00 114.51 3f1h n LEU 56 Ca 0.01 0.12 -0.10 0.00 -0.02 0.00 0.00 56.01 56.02 3f1h n LEU 56 Cb 0.07 -1.04 -0.04 0.00 -1.62 0.00 0.00 43.42 40.79 3f1h n LEU 56 CO 0.05 0.84 0.82 -0.07 -1.22 0.00 0.00 177.39 177.81 3f1h h LEU 57 N -0.06 -0.21-10.09 2.23 -0.00 0.43 0.10 115.31 107.71 3f1h h LEU 57 Ca -0.48 0.05 -0.48 0.00 -0.00 0.00 0.00 57.88 56.97 3f1h h LEU 57 Cb 1.93 0.11 0.04 0.00 -0.00 0.00 0.00 40.66 42.74 3f1h h LEU 57 CO -0.00 -0.09 0.39 -0.13 -0.00 0.00 0.00 178.44 178.60 3f1h s ARG 58 N -6.18 3.67 0.00 1.13 0.52 0.77 -2.94 118.95 115.92 3f1h s ARG 58 Ca -0.14 1.38 0.20 0.00 -0.52 0.00 0.00 55.73 56.66 3f1h s ARG 58 Cb 0.09 -2.07 1.20 0.00 0.52 0.00 0.00 34.95 34.68 3f1h s ARG 58 CO 0.67 -0.55 1.62 0.41 0.02 0.00 0.00 175.30 177.47 3f1h n GLY 59 N -0.28 -0.73 0.00 -3.53 0.00 -1.26 -4.51 105.19 94.88 3f1h n GLY 59 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3f1h n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f1h n LYS 60 N -0.93 0.00 0.00 1.61 5.02 -1.22 0.14 118.16 122.78 3f1h n LYS 60 Ca 0.15 0.09 -0.15 0.00 -2.02 0.00 0.00 58.31 56.39 3f1h n LYS 60 Cb 0.07 -1.77 -0.14 0.00 -0.02 0.00 0.00 35.03 33.17 3f1h n LYS 60 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 3f1h h HIS 61 N 0.00 0.25 -2.96 2.13 2.07 -1.79 -3.46 115.15 111.39 3f1h h HIS 61 Ca 0.00 -0.18 -0.57 0.00 -2.85 0.00 0.00 60.37 56.77 3f1h h HIS 61 Cb 0.54 -0.01 -0.04 0.00 2.57 0.00 0.00 27.41 30.47 3f1h h HIS 61 CO 0.00 1.35 0.86 0.50 -3.07 0.00 0.00 177.93 177.57 3f1h s ARG 62 N -2.59 4.25 0.48 5.12 3.52 0.36 -4.93 118.95 125.17 3f1h s ARG 62 Ca -0.12 1.62 0.18 0.00 -0.13 0.00 0.00 55.73 57.28 3f1h s ARG 62 Cb 0.07 -3.72 1.19 0.00 -1.56 0.00 0.00 34.95 30.93 3f1h s ARG 62 CO 0.81 -0.66 2.02 -1.00 -0.81 0.00 0.00 175.30 175.66 3f1h h PRO 63 N 7.99 0.20 -1.12 5.12 0.13 -1.89 -1.25 132.00 141.18 3f1h h PRO 63 Ca -0.26 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3f1h h PRO 63 Cb 1.10 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3f1h h PRO 63 CO 0.96 0.13 0.00 -0.25 -0.23 0.00 0.00 178.00 178.61 3f1h n ASP 64 N -4.45 2.14 -4.81 1.44 9.92 -1.26 -4.89 116.55 114.63 3f1h n ASP 64 Ca 0.07 -1.63 -0.33 0.00 -0.53 0.00 0.00 54.79 52.37 3f1h n ASP 64 Cb 0.40 -0.41 -0.04 0.00 -0.64 0.00 0.00 41.12 40.43 3f1h n ASP 64 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 3f1h s TRP 65 N -0.04 3.18 -0.20 1.24 -0.11 -0.47 -4.73 118.94 117.81 3f1h s TRP 65 Ca 0.00 1.57 -0.13 0.00 1.22 0.00 0.00 56.10 58.76 3f1h s TRP 65 Cb 0.00 -2.94 0.06 0.00 -1.50 0.00 0.00 33.47 29.09 3f1h s TRP 65 CO 0.00 -0.52 0.50 0.99 -4.62 0.00 0.00 176.95 173.30 3f1h s THR 66 N -2.19 -0.01 0.09 5.86 2.01 -1.26 -4.98 115.64 115.15 3f1h s THR 66 Ca 0.64 0.05 -0.35 0.00 0.31 0.00 0.00 61.69 62.33 3f1h s THR 66 Cb -0.13 -0.73 -0.17 0.00 0.01 0.00 0.00 72.50 71.49 3f1h s THR 66 CO 0.20 0.02 1.55 1.55 -0.69 0.00 0.00 174.62 177.25 3f1h h PRO 67 N 6.64 -0.92 0.00 4.92 0.13 -2.03 -3.19 132.00 137.55 3f1h h PRO 67 Ca -0.33 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3f1h h PRO 67 Cb 1.19 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.53 3f1h h PRO 67 CO 0.23 -0.61 0.00 -2.95 -0.23 0.00 0.00 178.00 174.44 3f1h h ASN 68 N -0.95 0.00 0.00 1.44 -0.00 -2.05 -3.32 115.58 110.70 3f1h h ASN 68 Ca -0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 56.30 56.18 3f1h h ASN 68 Cb 0.84 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.15 3f1h h ASN 68 CO -0.11 0.00 -0.63 1.62 -0.00 0.00 0.00 177.43 178.32 3f1h h VAL 69 N 0.00 0.36 -2.69 6.14 3.04 -2.00 -3.51 116.25 117.59 3f1h h VAL 69 Ca 0.00 -1.41 0.00 0.00 -1.01 0.00 0.00 66.70 64.28 3f1h h VAL 69 Cb 0.11 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 30.21 3f1h h VAL 69 CO 0.00 0.12 0.00 0.00 -1.01 0.00 0.00 177.57 176.68 3f1h n ALA 70 N -3.40 -2.69 -2.42 3.17 0.00 -1.25 -5.07 120.51 108.84 3f1h n ALA 70 Ca -0.13 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.28 3f1h n ALA 70 Cb 0.36 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.84 3f1h n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f1h n MET 71 N 0.07 0.72 -1.61 0.00 0.00 -1.26 -5.07 117.12 109.97 3f1h n MET 71 Ca 0.00 -1.57 -0.29 0.00 0.00 0.00 0.00 57.70 55.84 3f1h n MET 71 Cb 0.00 0.11 0.16 0.00 0.00 0.00 0.00 33.22 33.48 3f1h n MET 71 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3f1h s GLY 72 N -1.58 1.63 0.66 3.17 0.00 -1.15 -4.62 107.32 105.42 3f1h s GLY 72 Ca 0.12 -0.76 -0.15 0.00 0.00 0.00 0.00 44.72 43.93 3f1h s GLY 72 CO -0.08 -0.12 1.12 0.99 0.00 0.00 0.00 173.10 175.02 3f1h s ASP 73 N -4.29 5.09 -1.03 1.64 1.01 0.35 -4.73 116.67 114.71 3f1h s ASP 73 Ca 0.67 2.03 -0.22 0.00 0.71 0.00 0.00 52.55 55.74 3f1h s ASP 73 Cb -0.11 -2.56 0.06 0.00 1.01 0.00 0.00 42.92 41.33 3f1h s ASP 73 CO 0.53 -1.65 1.43 -0.36 0.21 0.00 0.00 175.17 175.33 3f1h s PHE 74 N -2.28 2.65 0.20 4.23 0.40 -1.08 -4.38 117.98 117.72 3f1h s PHE 74 Ca 0.68 -1.00 -0.30 0.00 -0.60 0.00 0.00 56.93 55.71 3f1h s PHE 74 Cb -0.21 -4.64 -0.08 0.00 0.51 0.00 0.00 43.02 38.60 3f1h s PHE 74 CO 0.41 -1.86 1.15 0.08 0.70 0.00 0.00 175.22 175.70 3f1h s VAL 75 N 4.54 3.63 -0.14 -0.44 1.01 -1.22 -0.81 120.40 126.98 3f1h s VAL 75 Ca 0.45 1.43 -0.01 0.00 0.00 0.00 0.00 61.98 63.85 3f1h s VAL 75 Cb -0.00 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.50 3f1h s VAL 75 CO -0.08 0.26 -0.03 -0.69 0.00 0.00 0.00 175.10 174.55 3f1h s VAL 76 N -0.33 0.84 0.03 2.92 1.01 -1.22 -1.44 120.40 122.21 3f1h s VAL 76 Ca 0.50 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.13 3f1h s VAL 76 Cb -0.32 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3f1h s VAL 76 CO 0.37 0.17 0.06 -0.69 0.00 0.00 0.00 175.10 175.01 3f1h s VAL 77 N 1.76 4.54 0.01 2.92 1.01 -0.34 -0.51 120.40 129.79 3f1h s VAL 77 Ca 0.02 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3f1h s VAL 77 Cb -0.14 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 3f1h s VAL 77 CO -0.07 0.28 -0.04 0.68 0.00 0.00 0.00 175.10 175.94 3f1h s VAL 78 N -1.24 0.31 -1.24 2.92 -7.23 -0.96 -2.19 120.40 110.77 3f1h s VAL 78 Ca 0.24 -0.39 -0.05 0.00 -1.81 0.00 0.00 61.98 59.97 3f1h s VAL 78 Cb -0.12 -0.31 0.01 0.00 0.56 0.00 0.00 36.38 36.52 3f1h s VAL 78 CO 0.16 -0.06 0.71 0.59 -0.31 0.00 0.00 175.10 176.19 3f1h n ASN 79 N 2.58 -5.53 0.31 4.85 5.03 -1.22 -3.38 115.26 117.91 3f1h n ASN 79 Ca -0.16 -0.33 0.20 0.00 0.87 0.00 0.00 54.58 55.16 3f1h n ASN 79 Cb 0.58 -4.27 1.07 0.00 -1.02 0.00 0.00 39.78 36.13 3f1h n ASN 79 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3f1h h ALA 80 N 0.85 1.26 -0.35 5.41 0.00 -1.64 -0.77 119.26 124.01 3f1h h ALA 80 Ca -0.46 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.54 3f1h h ALA 80 Cb 1.31 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3f1h h ALA 80 CO 0.47 -0.05 0.25 0.38 0.00 0.00 0.00 179.25 180.30 3f1h h ASP 81 N 0.00 0.05 -0.48 0.00 2.03 -1.90 -1.47 116.42 114.66 3f1h h ASP 81 Ca 0.01 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.15 3f1h h ASP 81 Cb 0.09 -0.01 -0.09 0.00 -0.83 0.00 0.00 39.33 38.49 3f1h h ASP 81 CO -0.00 0.03 0.20 0.29 -1.03 0.00 0.00 179.24 178.73 3f1h n LYS 82 N -4.45 2.58 -2.22 4.15 4.76 -0.30 -4.90 118.16 117.78 3f1h n LYS 82 Ca 0.05 -1.88 -0.42 0.00 -2.87 0.00 0.00 58.31 53.20 3f1h n LYS 82 Cb 0.39 -1.84 -0.03 0.00 -1.84 0.00 0.00 35.03 31.70 3f1h n LYS 82 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3f1h s ILE 83 N -2.04 3.40 0.35 -0.18 1.01 -0.55 -1.67 121.20 121.51 3f1h s ILE 83 Ca 0.34 1.03 -0.03 0.00 0.00 0.00 0.00 60.65 61.99 3f1h s ILE 83 Cb 0.27 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 3f1h s ILE 83 CO 0.08 0.10 0.61 -0.13 0.00 0.00 0.00 174.94 175.60 3f1h s ARG 84 N 0.81 3.57 -0.14 2.79 1.81 -0.92 -4.92 118.95 121.95 3f1h s ARG 84 Ca 0.62 -0.05 -0.12 0.00 -1.72 0.00 0.00 55.73 54.45 3f1h s ARG 84 Cb -0.36 -2.58 0.04 0.00 -0.45 0.00 0.00 34.95 31.60 3f1h s ARG 84 CO 0.32 0.09 0.37 0.54 -0.68 0.00 0.00 175.30 175.94 3f1h s VAL 85 N -2.32 -0.01 0.48 3.52 0.11 -1.26 -2.24 120.40 118.68 3f1h s VAL 85 Ca 0.44 0.02 -0.22 0.00 -2.93 0.00 0.00 61.98 59.28 3f1h s VAL 85 Cb -0.10 -0.52 -0.07 0.00 -1.53 0.00 0.00 36.38 34.16 3f1h s VAL 85 CO 0.35 0.01 1.15 0.42 -3.33 0.00 0.00 175.10 173.70 3f1h s THR 86 N 0.39 3.15 0.00 5.04 -4.23 -1.26 -4.83 115.64 113.91 3f1h s THR 86 Ca -0.02 0.83 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 3f1h s THR 86 Cb -0.04 -3.40 0.00 0.00 1.34 0.00 0.00 72.50 70.41 3f1h s THR 86 CO -0.02 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 3f1h n GLY 87 N 0.36 -0.31 0.11 3.99 0.00 -1.26 -3.74 105.19 104.34 3f1h n GLY 87 Ca 0.08 -1.06 0.03 0.00 0.00 0.00 0.00 46.02 45.07 3f1h n GLY 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f1h n LYS 88 N 0.00 1.14 -0.38 1.61 5.02 -1.26 -4.32 118.16 119.97 3f1h n LYS 88 Ca 0.00 -0.21 0.33 0.00 -2.02 0.00 0.00 58.31 56.41 3f1h n LYS 88 Cb 0.00 -1.10 0.60 0.00 -0.02 0.00 0.00 35.03 34.51 3f1h n LYS 88 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3f1h h LYS 89 N 0.35 0.07 -0.38 1.97 1.79 -1.88 0.52 116.57 119.02 3f1h h LYS 89 Ca 0.00 -0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.57 3f1h h LYS 89 Cb 0.08 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 3f1h h LYS 89 CO 0.00 0.05 0.27 -0.07 -1.08 0.00 0.00 179.45 178.62 3f1h h LEU 90 N 0.08 0.03 0.00 2.94 4.07 -1.88 -1.44 115.31 119.10 3f1h h LEU 90 Ca 0.83 0.00 -0.41 0.00 0.08 0.00 0.00 57.88 58.38 3f1h h LEU 90 Cb 2.33 -0.01 -0.06 0.00 1.08 0.00 0.00 40.66 44.00 3f1h h LEU 90 CO -0.61 0.02 -2.42 -0.62 -1.08 0.00 0.00 178.44 173.73 3f1h n GLU 91 N -4.43 0.56 -0.04 1.13 1.02 0.17 -0.82 120.64 118.23 3f1h n GLU 91 Ca 0.06 0.21 -0.14 0.00 -0.02 0.00 0.00 57.16 57.27 3f1h n GLU 91 Cb 0.44 -1.44 -0.12 0.00 -0.02 0.00 0.00 31.44 30.31 3f1h n GLU 91 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3f1h h GLN 92 N -0.64 0.09 -5.27 3.49 4.15 -1.05 -3.43 115.11 112.46 3f1h h GLN 92 Ca -0.62 -0.10 -0.07 0.00 0.77 0.00 0.00 58.65 58.63 3f1h h GLN 92 Cb 1.66 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 29.35 3f1h h GLN 92 CO -0.30 0.85 0.41 1.17 -1.93 0.00 0.00 178.83 179.03 3f1h n LYS 93 N -4.60 0.44 -3.61 1.69 3.00 -0.55 -4.87 118.16 109.66 3f1h n LYS 93 Ca -0.10 -0.70 -0.38 0.00 -0.00 0.00 0.00 58.31 57.13 3f1h n LYS 93 Cb 0.45 -3.17 -0.06 0.00 0.00 0.00 0.00 35.03 32.25 3f1h n LYS 93 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 3f1h s ILE 94 N 11.97 5.20 0.09 3.15 -5.25 -1.26 -0.15 121.20 134.94 3f1h s ILE 94 Ca 1.00 0.63 -0.10 0.00 -0.99 0.00 0.00 60.65 61.19 3f1h s ILE 94 Cb -0.27 -3.62 -0.06 0.00 2.95 0.00 0.00 42.46 41.46 3f1h s ILE 94 CO 0.18 0.56 0.42 -0.31 -1.79 0.00 0.00 174.94 174.00 3f1h s TYR 95 N -0.85 3.58 0.38 1.37 2.02 0.37 -4.86 117.35 119.36 3f1h s TYR 95 Ca 0.20 0.81 0.07 0.00 -0.37 0.00 0.00 57.07 57.79 3f1h s TYR 95 Cb -0.15 -2.18 -0.00 0.00 -0.40 0.00 0.00 41.96 39.23 3f1h s TYR 95 CO 0.10 0.50 0.48 0.95 -1.57 0.00 0.00 175.55 176.01 3f1h s THR 96 N -1.42 3.36 -0.30 -0.71 -4.23 -1.26 0.41 115.64 111.49 3f1h s THR 96 Ca 0.34 -1.09 -0.07 0.00 -1.18 0.00 0.00 61.69 59.69 3f1h s THR 96 Cb -0.14 -3.15 0.19 0.00 1.34 0.00 0.00 72.50 70.73 3f1h s THR 96 CO 0.18 -0.07 0.89 -0.60 -0.54 0.00 0.00 174.62 174.49 3f1h s ARG 97 N -4.22 0.30 -0.52 3.99 3.52 -0.72 -4.92 118.95 116.37 3f1h s ARG 97 Ca 0.49 0.40 -0.19 0.00 -0.13 0.00 0.00 55.73 56.31 3f1h s ARG 97 Cb -0.08 0.21 0.07 0.00 -1.56 0.00 0.00 34.95 33.58 3f1h s ARG 97 CO 0.31 -0.46 0.61 -0.47 -0.81 0.00 0.00 175.30 174.49 3f1h s TYR 98 N 2.92 3.07 0.66 5.12 5.04 -1.26 -1.58 117.35 131.32 3f1h s TYR 98 Ca 0.14 -0.71 -0.16 0.00 -2.44 0.00 0.00 57.07 53.90 3f1h s TYR 98 Cb -0.08 -3.62 0.00 0.00 0.35 0.00 0.00 41.96 38.62 3f1h s TYR 98 CO -0.20 -1.07 1.16 -1.54 -1.34 0.00 0.00 175.55 172.57 3f1h s SER 99 N 2.94 4.86 0.20 4.32 1.04 -1.05 -4.88 113.70 121.13 3f1h s SER 99 Ca 0.12 2.20 0.15 0.00 0.48 0.00 0.00 55.95 58.90 3f1h s SER 99 Cb -0.21 -2.57 0.78 0.00 0.10 0.00 0.00 66.02 64.11 3f1h s SER 99 CO 0.10 -1.81 1.46 0.61 0.98 0.00 0.00 173.24 174.57 3f1h n GLY 100 N 0.02 -0.79 3.87 7.32 0.00 -1.26 -4.57 105.19 109.78 3f1h n GLY 100 Ca 0.12 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 3f1h n GLY 100 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f1h s TYR 101 N -3.34 2.83 0.16 1.61 1.51 -1.26 -4.97 117.35 113.89 3f1h s TYR 101 Ca -0.01 0.79 -0.30 0.00 -1.01 0.00 0.00 57.07 56.54 3f1h s TYR 101 Cb 0.05 -3.45 -0.07 0.00 -0.11 0.00 0.00 41.96 38.37 3f1h s TYR 101 CO 0.16 -1.93 1.18 -2.14 -1.11 0.00 0.00 175.55 171.71 3f1h s PRO 102 N -5.48 4.50 -0.16 -1.71 0.02 -1.26 -2.47 135.00 128.43 3f1h s PRO 102 Ca 0.62 1.82 0.00 0.00 0.02 0.00 0.00 61.00 63.47 3f1h s PRO 102 Cb -0.12 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.13 3f1h s PRO 102 CO 0.50 -0.10 0.00 0.41 -0.33 0.00 0.00 177.00 177.49 3f1h n GLY 103 N 2.40 0.34 0.00 0.52 0.00 -1.26 -4.88 105.19 102.31 3f1h n GLY 103 Ca 0.05 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.12 3f1h n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1h n GLY 104 N -0.72 -0.88 3.62 -0.02 0.00 -1.03 -4.73 105.19 101.42 3f1h n GLY 104 Ca -0.02 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 3f1h n GLY 104 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f1h s LEU 105 N -2.39 3.72 -0.25 0.99 2.96 -1.26 -2.52 118.68 119.93 3f1h s LEU 105 Ca 0.24 1.76 -0.02 0.00 -0.22 0.00 0.00 54.13 55.89 3f1h s LEU 105 Cb 0.14 -3.52 0.02 0.00 0.50 0.00 0.00 46.19 43.33 3f1h s LEU 105 CO 0.30 -1.57 -0.06 -0.75 -1.32 0.00 0.00 176.35 172.95 3f1h s LYS 106 N 5.42 2.87 0.17 1.98 2.20 -0.61 -4.97 119.74 126.81 3f1h s LYS 106 Ca 0.85 -0.95 0.04 0.00 -0.36 0.00 0.00 55.97 55.54 3f1h s LYS 106 Cb -0.29 -3.00 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 3f1h s LYS 106 CO 0.34 -0.39 0.26 -1.59 -0.36 0.00 0.00 175.35 173.61 3f1h s LYS 107 N 1.34 3.30 -0.17 4.03 -2.85 -1.26 -1.75 119.74 122.38 3f1h s LYS 107 Ca 0.01 -0.71 -0.05 0.00 -1.00 0.00 0.00 55.97 54.22 3f1h s LYS 107 Cb -0.16 -2.87 0.09 0.00 -2.06 0.00 0.00 37.83 32.82 3f1h s LYS 107 CO -0.04 0.49 0.32 0.42 0.10 0.00 0.00 175.35 176.64 3f1h s ILE 108 N -1.81 -0.51 0.51 3.79 1.01 0.17 -4.94 121.20 119.42 3f1h s ILE 108 Ca 0.34 0.16 -0.21 0.00 0.00 0.00 0.00 60.65 60.94 3f1h s ILE 108 Cb -0.10 -0.59 -0.06 0.00 0.01 0.00 0.00 42.46 41.72 3f1h s ILE 108 CO 0.27 0.04 1.15 -2.16 0.00 0.00 0.00 174.94 174.24 3f1h s PRO 109 N 2.49 3.50 0.25 2.79 0.04 -1.26 0.14 135.00 142.94 3f1h s PRO 109 Ca 0.02 1.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.70 3f1h s PRO 109 Cb -0.13 -2.16 0.47 0.00 0.04 0.00 0.00 34.50 32.72 3f1h s PRO 109 CO -0.11 -0.75 1.68 1.25 0.04 0.00 0.00 177.00 179.11 3f1h h LEU 110 N 1.52 0.00 -0.49 -3.56 6.46 -0.68 -1.11 115.31 117.45 3f1h h LEU 110 Ca -0.50 0.15 0.05 0.00 -0.12 0.00 0.00 57.88 57.46 3f1h h LEU 110 Cb 1.26 0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 41.32 3f1h h LEU 110 CO 0.58 -0.04 -0.38 -0.33 -0.62 0.00 0.00 178.44 177.64 3f1h h GLU 111 N 0.26 -0.11 -0.90 1.25 5.08 -1.25 -1.67 114.58 117.23 3f1h h GLU 111 Ca 0.42 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.93 3f1h h GLU 111 Cb 0.72 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.93 3f1h h GLU 111 CO -0.52 -0.08 0.58 -0.22 -1.00 0.00 0.00 179.01 177.78 3f1h h LYS 112 N -0.12 0.72 -0.03 2.33 3.64 -1.50 0.93 116.57 122.54 3f1h h LYS 112 Ca 0.08 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3f1h h LYS 112 Cb 0.33 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3f1h h LYS 112 CO -0.52 0.47 0.01 0.52 -2.27 0.00 0.00 179.45 177.66 3f1h h MET 113 N 0.74 0.05 -0.41 1.90 2.86 -1.16 -0.75 114.93 118.16 3f1h h MET 113 Ca 0.45 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.99 3f1h h MET 113 Cb 0.67 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 3f1h h MET 113 CO -0.21 0.15 -0.12 -0.07 1.06 0.00 0.00 176.91 177.72 3f1h h LEU 114 N -0.07 0.72 0.00 1.22 3.38 -0.35 -2.98 115.31 117.22 3f1h h LEU 114 Ca 0.01 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3f1h h LEU 114 Cb 0.12 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3f1h h LEU 114 CO -0.00 0.86 0.00 0.00 0.09 0.00 0.00 178.44 179.39 3f1h n ALA 115 N -2.49 -0.22 -1.00 1.53 0.00 0.17 -4.39 120.51 114.11 3f1h n ALA 115 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3f1h n ALA 115 Cb 0.36 0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3f1h n ALA 115 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3f1h n THR 116 N -1.91 0.00 -1.42 0.00 5.66 -0.30 -4.76 114.28 111.56 3f1h n THR 116 Ca 0.00 0.00 -0.49 0.00 -3.05 0.00 0.00 64.05 60.51 3f1h n THR 116 Cb 0.00 -0.76 -0.10 0.00 -1.55 0.00 0.00 70.33 67.91 3f1h n THR 116 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3f1h n HIS 117 N -0.40 1.16 -0.05 1.09 -0.00 -1.21 -4.82 115.22 110.99 3f1h n HIS 117 Ca 0.00 0.43 -0.19 0.00 -0.00 0.00 0.00 57.72 57.96 3f1h n HIS 117 Cb 0.00 -2.43 -0.13 0.00 -0.00 0.00 0.00 29.99 27.43 3f1h n HIS 117 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3f1h h PRO 118 N 12.15 0.10 -1.80 -1.40 0.11 -1.75 -3.28 132.00 136.14 3f1h h PRO 118 Ca -0.16 -0.17 0.53 0.00 0.11 0.00 0.00 66.00 66.32 3f1h h PRO 118 Cb 1.34 0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.43 3f1h h PRO 118 CO 1.16 1.08 1.28 1.05 -0.21 0.00 0.00 178.00 182.36 3f1h h GLU 119 N -0.74 0.01 -0.85 1.05 9.09 -1.88 0.40 114.58 121.67 3f1h h GLU 119 Ca -0.21 -0.00 0.21 0.00 0.05 0.00 0.00 59.36 59.41 3f1h h GLU 119 Cb 1.38 -0.00 -0.13 0.00 -1.65 0.00 0.00 28.75 28.34 3f1h h GLU 119 CO -0.03 0.00 0.21 -0.09 0.05 0.00 0.00 179.01 179.15 3f1h h ARG 120 N 0.01 0.21 0.13 1.06 9.65 -1.91 0.31 114.38 123.84 3f1h h ARG 120 Ca 0.89 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.76 3f1h h ARG 120 Cb 3.46 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 31.98 3f1h h ARG 120 CO -0.08 0.14 -0.12 -0.39 2.80 0.00 0.00 179.97 182.32 3f1h h VAL 121 N 0.22 0.73 -0.55 0.20 -1.51 -0.42 -2.41 116.25 112.50 3f1h h VAL 121 Ca 0.52 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 65.89 3f1h h VAL 121 Cb 1.00 0.73 -0.02 0.00 -2.13 0.00 0.00 31.29 30.87 3f1h h VAL 121 CO -0.63 0.00 -0.02 0.25 -1.23 0.00 0.00 177.57 175.94 3f1h h LEU 122 N -0.27 0.94 0.14 4.19 7.12 -1.28 -2.42 115.31 123.74 3f1h h LEU 122 Ca 0.00 -0.27 0.01 0.00 0.13 0.00 0.00 57.88 57.76 3f1h h LEU 122 Cb 0.26 -0.25 -0.04 0.00 -0.53 0.00 0.00 40.66 40.09 3f1h h LEU 122 CO -0.03 1.01 -0.48 -0.33 -0.13 0.00 0.00 178.44 178.49 3f1h h GLU 123 N 0.88 -0.68 -0.56 1.25 5.08 -0.25 -2.28 114.58 118.02 3f1h h GLU 123 Ca 0.16 0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.48 3f1h h GLU 123 Cb 0.55 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3f1h h GLU 123 CO 0.03 -0.45 0.00 0.45 -1.00 0.00 0.00 179.01 178.04 3f1h h HIS 124 N -0.71 1.07 -0.84 4.33 3.86 -1.41 0.00 115.15 121.46 3f1h h HIS 124 Ca -0.01 -0.18 0.20 0.00 -1.16 0.00 0.00 60.37 59.22 3f1h h HIS 124 Cb 0.70 -0.28 -0.12 0.00 1.06 0.00 0.00 27.41 28.77 3f1h h HIS 124 CO -0.42 0.97 0.30 0.00 0.86 0.00 0.00 177.93 179.63 3f1h h ALA 125 N 0.97 1.25 0.02 2.45 0.00 -1.35 0.34 119.26 122.93 3f1h h ALA 125 Ca 0.16 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3f1h h ALA 125 Cb 0.54 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3f1h h ALA 125 CO 0.03 -0.35 -0.01 0.28 0.00 0.00 0.00 179.25 179.20 3f1h h VAL 126 N 0.33 1.39 -0.73 0.00 2.07 -0.89 -3.28 116.25 115.14 3f1h h VAL 126 Ca 0.51 -1.27 0.16 0.00 0.82 0.00 0.00 66.70 66.92 3f1h h VAL 126 Cb 0.94 2.24 -0.11 0.00 -1.52 0.00 0.00 31.29 32.84 3f1h h VAL 126 CO -0.54 0.32 0.13 0.50 0.02 0.00 0.00 177.57 178.01 3f1h h LYS 127 N -0.58 0.22 0.00 1.57 3.64 0.84 0.63 116.57 122.89 3f1h h LYS 127 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3f1h h LYS 127 Cb 0.55 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3f1h h LYS 127 CO 0.00 0.14 0.00 0.41 -2.27 0.00 0.00 179.45 177.74 3f1h n GLY 128 N -1.36 -0.61 0.35 5.01 0.00 0.10 -1.63 105.19 107.04 3f1h n GLY 128 Ca 0.14 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.17 3f1h n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3f1h n MET 129 N -1.41 1.94 -3.68 1.61 2.81 0.22 -4.98 117.12 113.62 3f1h n MET 129 Ca 0.02 -1.52 -0.34 0.00 -1.81 0.00 0.00 57.70 54.05 3f1h n MET 129 Cb 0.06 -1.15 -0.05 0.00 -0.71 0.00 0.00 33.22 31.37 3f1h n MET 129 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3f1h s LEU 130 N -0.85 4.34 0.65 4.03 1.43 -0.65 -4.99 118.68 122.63 3f1h s LEU 130 Ca 0.12 0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 53.69 3f1h s LEU 130 Cb 0.07 -2.95 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 3f1h s LEU 130 CO 0.09 0.17 0.65 -0.81 0.23 0.00 0.00 176.35 176.68 3f1h n PRO 131 N 0.76 0.50 0.00 1.29 -0.04 -1.26 -4.91 135.00 131.35 3f1h n PRO 131 Ca -0.08 0.21 0.14 0.00 -0.04 0.00 0.00 63.50 63.73 3f1h n PRO 131 Cb 0.52 -1.88 0.61 0.00 -0.04 0.00 0.00 33.50 32.71 3f1h n PRO 131 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3f1h n LYS 132 N -0.65 0.90 -1.26 0.54 0.00 -1.26 -4.29 118.16 112.14 3f1h n LYS 132 Ca 0.12 -0.35 -0.21 0.00 -0.00 0.00 0.00 58.31 57.86 3f1h n LYS 132 Cb 0.49 -1.49 0.15 0.00 -0.00 0.00 0.00 35.03 34.18 3f1h n LYS 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3f1h n GLY 133 N 1.23 -1.61 0.17 2.58 0.00 -1.26 -4.89 105.19 101.41 3f1h n GLY 133 Ca 0.16 -1.66 -0.06 0.00 0.00 0.00 0.00 46.02 44.46 3f1h n GLY 133 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3f1h h PRO 134 N 0.00 0.38 0.00 1.61 0.11 -2.00 -1.25 132.00 130.85 3f1h h PRO 134 Ca -0.31 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 3f1h h PRO 134 Cb 0.85 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 3f1h h PRO 134 CO 0.21 0.25 -0.12 1.37 -0.21 0.00 0.00 178.00 179.51 3f1h h LEU 135 N 0.39 0.00 -1.43 2.35 -0.00 -1.94 0.14 115.31 114.83 3f1h h LEU 135 Ca 0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.05 3f1h h LEU 135 Cb 0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.72 3f1h h LEU 135 CO -0.13 0.12 0.32 1.23 -0.00 0.00 0.00 178.44 179.99 3f1h h GLY 136 N 1.56 0.76 0.82 0.17 0.00 -1.42 1.20 103.07 106.16 3f1h h GLY 136 Ca -0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 3f1h h GLY 136 CO 0.02 0.29 -0.46 3.21 0.00 0.00 0.00 176.54 179.60 3f1h h ARG 137 N 0.73 0.46 -0.98 4.80 3.08 -0.51 -2.71 114.38 119.25 3f1h h ARG 137 Ca 0.19 -0.38 0.10 0.00 0.07 0.00 0.00 59.98 59.95 3f1h h ARG 137 Cb -0.04 0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.02 3f1h h ARG 137 CO -0.04 1.02 0.63 0.00 -1.07 0.00 0.00 179.97 180.51 3f1h h ARG 138 N 0.03 1.01 -0.14 0.04 2.47 0.00 -0.43 114.38 117.35 3f1h h ARG 138 Ca -0.03 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.56 3f1h h ARG 138 Cb 1.11 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 29.19 3f1h h ARG 138 CO 0.09 0.67 -0.21 -0.07 0.56 0.00 0.00 179.97 181.01 3f1h h LEU 139 N 1.04 0.24 -0.78 3.04 3.38 0.15 -3.07 115.31 119.30 3f1h h LEU 139 Ca 0.46 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.28 3f1h h LEU 139 Cb 0.36 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3f1h h LEU 139 CO -0.21 0.47 0.05 0.15 0.09 0.00 0.00 178.44 178.99 3f1h h PHE 140 N 0.23 1.04 -0.44 1.13 3.57 -0.74 -2.21 116.94 119.52 3f1h h PHE 140 Ca 0.04 -0.15 0.04 0.00 3.53 0.00 0.00 57.97 61.43 3f1h h PHE 140 Cb 0.51 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3f1h h PHE 140 CO 0.01 0.90 0.30 0.87 -2.23 0.00 0.00 178.31 178.16 3f1h h LYS 141 N 0.91 0.43 -0.11 1.11 1.57 -1.43 -1.20 116.57 117.85 3f1h h LYS 141 Ca 0.18 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 3f1h h LYS 141 Cb 0.46 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 3f1h h LYS 141 CO 0.02 0.29 0.17 0.00 -0.57 0.00 0.00 179.45 179.36 3f1h h ARG 142 N 0.44 0.00 -5.64 3.15 2.47 -1.46 -3.40 114.38 109.95 3f1h h ARG 142 Ca 0.18 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.31 3f1h h ARG 142 Cb 0.18 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 28.40 3f1h h ARG 142 CO -0.05 0.00 0.09 -1.17 0.56 0.00 0.00 179.97 179.40 3f1h s LEU 143 N -7.07 4.15 -0.30 3.04 0.20 -0.46 -3.44 118.68 114.81 3f1h s LEU 143 Ca -0.05 0.80 -0.04 0.00 0.69 0.00 0.00 54.13 55.54 3f1h s LEU 143 Cb 0.14 -2.85 0.03 0.00 -0.43 0.00 0.00 46.19 43.08 3f1h s LEU 143 CO 0.48 -0.25 0.03 -0.54 -0.29 0.00 0.00 176.35 175.78 3f1h s LYS 144 N 1.84 2.74 0.02 1.98 3.01 -0.52 -5.03 119.74 123.78 3f1h s LYS 144 Ca 0.28 -1.07 0.02 0.00 -1.01 0.00 0.00 55.97 54.18 3f1h s LYS 144 Cb -0.16 -3.25 -0.04 0.00 -1.01 0.00 0.00 37.83 33.37 3f1h s LYS 144 CO 0.10 -0.54 0.04 0.08 0.51 0.00 0.00 175.35 175.55 3f1h s VAL 145 N 1.37 4.40 0.17 3.17 1.01 -1.26 -1.20 120.40 128.05 3f1h s VAL 145 Ca -0.01 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 3f1h s VAL 145 Cb -0.18 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.19 3f1h s VAL 145 CO 0.00 0.29 0.27 -1.22 0.00 0.00 0.00 175.10 174.44 3f1h n TYR 146 N 1.04 -1.17 -3.18 5.22 4.02 -0.93 -4.96 117.16 117.20 3f1h n TYR 146 Ca -0.12 -0.99 0.02 0.00 -0.01 0.00 0.00 57.90 56.80 3f1h n TYR 146 Cb 0.52 0.31 -0.01 0.00 -0.02 0.00 0.00 39.34 40.15 3f1h n TYR 146 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3f1h s ALA 147 N -1.89 -2.19 0.14 -0.72 0.00 -1.26 -1.75 121.76 114.10 3f1h s ALA 147 Ca 0.11 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.00 3f1h s ALA 147 Cb -0.01 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.66 3f1h s ALA 147 CO 0.08 -1.81 0.00 0.41 0.00 0.00 0.00 175.76 174.44 3f1h n GLY 148 N 5.41 -1.37 0.00 0.00 0.00 -1.26 -4.74 105.19 103.23 3f1h n GLY 148 Ca 0.04 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.36 3f1h n GLY 148 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3f1h n PRO 149 N -2.83 0.00 -2.24 1.61 -0.04 -1.26 -4.89 135.00 125.35 3f1h n PRO 149 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3f1h n PRO 149 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3f1h n PRO 149 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3f1h n ASP 150 N 0.00 -9.06 -2.61 3.54 9.92 -1.26 -4.78 116.55 112.30 3f1h n ASP 150 Ca 0.00 1.66 -0.05 0.00 -0.53 0.00 0.00 54.79 55.87 3f1h n ASP 150 Cb 0.00 -5.09 0.01 0.00 -0.64 0.00 0.00 41.12 35.40 3f1h n ASP 150 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3f1h n HIS 151 N 1.91 -1.89 -2.15 1.24 1.44 -1.26 -4.90 115.22 109.62 3f1h n HIS 151 Ca 0.00 -0.48 -0.42 0.00 -2.01 0.00 0.00 57.72 54.81 3f1h n HIS 151 Cb 0.00 -0.10 -0.03 0.00 0.12 0.00 0.00 29.99 29.98 3f1h n HIS 151 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 3f1h s PRO 152 N -2.51 3.21 -1.12 -1.40 0.02 -1.26 -4.92 135.00 127.02 3f1h s PRO 152 Ca 0.09 0.98 -0.25 0.00 0.02 0.00 0.00 61.00 61.84 3f1h s PRO 152 Cb -0.01 -4.19 -0.17 0.00 0.02 0.00 0.00 34.50 30.15 3f1h s PRO 152 CO 0.06 -2.01 2.02 0.72 -0.33 0.00 0.00 177.00 177.45 3f1h n HIS 153 N 10.44 1.81 0.00 6.54 8.25 -1.26 -4.78 115.22 136.23 3f1h n HIS 153 Ca 0.19 -0.83 0.00 0.00 -0.26 0.00 0.00 57.72 56.82 3f1h n HIS 153 Cb 0.49 -2.59 0.00 0.00 1.12 0.00 0.00 29.99 29.00 3f1h n HIS 153 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3f1h n GLN 154 N 8.19 0.00 0.00 -0.41 7.27 -1.26 -5.00 117.38 126.16 3f1h n GLN 154 Ca 0.43 0.33 0.00 0.00 0.07 0.00 0.00 57.00 57.83 3f1h n GLN 154 Cb 0.47 -1.26 0.00 0.00 2.41 0.00 0.00 30.24 31.86 3f1h n GLN 154 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3f1h n ALA 155 N -1.50 0.00 -2.20 1.69 0.00 -1.26 -5.10 120.51 112.14 3f1h n ALA 155 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3f1h n ALA 155 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3f1h n ALA 155 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3f1h s GLN 156 N 0.00 4.39 -0.28 0.00 -0.21 -1.26 -4.90 119.66 117.40 3f1h s GLN 156 Ca 0.00 1.95 0.21 0.00 0.02 0.00 0.00 55.36 57.54 3f1h s GLN 156 Cb 0.00 -3.27 0.49 0.00 1.00 0.00 0.00 33.01 31.23 3f1h s GLN 156 CO 0.00 -0.30 1.14 -2.13 -2.12 0.00 0.00 175.29 171.88 3f1h n ARG 157 N 3.50 1.60 -1.78 2.91 0.63 -1.26 -4.81 116.66 117.45 3f1h n ARG 157 Ca 0.09 -3.19 -0.33 0.00 -0.92 0.00 0.00 57.85 53.49 3f1h n ARG 157 Cb 0.44 -1.31 -0.04 0.00 0.45 0.00 0.00 32.46 32.00 3f1h n ARG 157 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3f1h s PRO 158 N -3.22 2.26 0.61 -0.14 0.02 -1.26 -4.63 135.00 128.66 3f1h s PRO 158 Ca 0.25 0.83 -0.18 0.00 0.02 0.00 0.00 61.00 61.92 3f1h s PRO 158 Cb 0.35 -4.59 -0.04 0.00 0.02 0.00 0.00 34.50 30.25 3f1h s PRO 158 CO -0.04 -3.25 1.07 -1.91 -0.33 0.00 0.00 177.00 172.54 3f1h n GLU 159 N 9.04 0.98 -4.26 5.54 2.13 -1.26 -2.50 120.64 130.30 3f1h n GLU 159 Ca 0.33 0.38 -0.19 0.00 0.66 0.00 0.00 57.16 58.34 3f1h n GLU 159 Cb 0.52 -2.28 -0.08 0.00 0.27 0.00 0.00 31.44 29.87 3f1h n GLU 159 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3f1h s LYS 160 N -2.93 1.74 0.00 5.31 -0.14 -0.52 -4.82 119.74 118.38 3f1h s LYS 160 Ca 0.78 -1.97 0.00 0.00 -1.36 0.00 0.00 55.97 53.41 3f1h s LYS 160 Cb -0.41 0.33 0.00 0.00 -1.68 0.00 0.00 37.83 36.08 3f1h s LYS 160 CO 0.45 -0.65 0.00 1.47 -0.76 0.00 0.00 175.35 175.86