#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f9s n SER 2 N 0.00 -0.83 -4.83 1.61 2.88 -1.26 -4.99 113.62 106.21 3f9s n SER 2 Ca 0.00 -1.23 -0.31 0.00 -1.33 0.00 0.00 58.87 56.00 3f9s n SER 2 Cb 0.00 1.30 0.03 0.00 -0.75 0.00 0.00 64.21 64.79 3f9s n SER 2 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 3f9s s ILE 3 N -2.09 4.13 0.48 2.46 -4.36 -1.26 0.34 121.20 120.89 3f9s s ILE 3 Ca 0.19 0.76 0.07 0.00 -0.26 0.00 0.00 60.65 61.41 3f9s s ILE 3 Cb -0.01 -3.49 0.03 0.00 1.25 0.00 0.00 42.46 40.25 3f9s s ILE 3 CO 0.00 -0.83 0.66 -0.94 0.24 0.00 0.00 174.94 174.07 3f9s s SER 4 N -3.63 5.44 0.67 4.36 1.04 -1.24 -4.83 113.70 115.50 3f9s s SER 4 Ca 0.59 -0.42 0.40 0.00 0.48 0.00 0.00 55.95 57.00 3f9s s SER 4 Cb -0.14 -0.50 2.19 0.00 0.10 0.00 0.00 66.02 67.67 3f9s s SER 4 CO 0.50 -0.98 2.24 0.77 0.98 0.00 0.00 173.24 176.75 3f9s h SER 5 N 0.41 0.00 -0.55 7.02 4.64 -1.97 -2.59 113.55 120.50 3f9s h SER 5 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3f9s h SER 5 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3f9s h SER 5 CO 0.45 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.70 3f9s n LYS 6 N -3.05 3.50 -0.23 4.77 5.02 -1.26 -4.70 118.16 122.20 3f9s n LYS 6 Ca -0.03 -2.76 0.04 0.00 -2.02 0.00 0.00 58.31 53.54 3f9s n LYS 6 Cb 0.17 -1.79 0.14 0.00 -0.02 0.00 0.00 35.03 33.53 3f9s n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f9s h ALA 7 N 3.47 0.77 -0.50 7.82 0.00 -1.83 0.15 119.26 129.14 3f9s h ALA 7 Ca 0.00 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3f9s h ALA 7 Cb 1.34 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 3f9s h ALA 7 CO 0.19 -0.38 0.09 0.87 0.00 0.00 0.00 179.25 180.02 3f9s h LYS 8 N 0.17 0.82 -0.67 0.00 1.57 -1.87 -0.70 116.57 115.89 3f9s h LYS 8 Ca 0.38 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3f9s h LYS 8 Cb 0.64 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 3f9s h LYS 8 CO -0.55 0.81 0.34 1.49 -0.57 0.00 0.00 179.45 180.97 3f9s h GLU 9 N 0.70 0.95 -0.01 3.15 4.81 -1.68 -0.78 114.58 121.71 3f9s h GLU 9 Ca 0.15 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3f9s h GLU 9 Cb 0.38 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 3f9s h GLU 9 CO 0.01 0.73 0.01 0.82 -0.73 0.00 0.00 179.01 179.85 3f9s h ILE 10 N 0.92 1.01 -0.71 2.32 2.04 -0.39 -0.39 117.51 122.31 3f9s h ILE 10 Ca 0.23 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.06 3f9s h ILE 10 Cb 0.09 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3f9s h ILE 10 CO -0.03 0.01 0.45 -0.07 0.00 0.00 0.00 178.15 178.51 3f9s h LEU 11 N 0.01 0.82 -0.19 1.44 3.38 -0.96 0.17 115.31 119.98 3f9s h LEU 11 Ca 0.00 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3f9s h LEU 11 Cb 0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3f9s h LEU 11 CO -0.00 0.61 0.05 0.74 0.09 0.00 0.00 178.44 179.93 3f9s h THR 12 N 0.96 0.94 -0.21 0.22 2.02 -0.90 0.89 112.91 116.82 3f9s h THR 12 Ca 0.26 -0.05 -0.10 0.00 0.77 0.00 0.00 66.41 67.29 3f9s h THR 12 Cb -0.09 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3f9s h THR 12 CO -0.05 0.02 -0.24 1.56 0.37 0.00 0.00 175.52 177.18 3f9s h GLN 13 N 0.14 0.54 -0.39 6.66 4.20 -0.63 -1.65 115.11 123.98 3f9s h GLN 13 Ca 0.08 -0.30 0.07 0.00 0.06 0.00 0.00 58.65 58.57 3f9s h GLN 13 Cb 0.06 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.80 3f9s h GLN 13 CO -0.10 0.89 0.01 0.35 -0.67 0.00 0.00 178.83 179.30 3f9s h PHE 14 N 0.22 -0.01 -0.61 2.96 3.57 -0.62 0.33 116.94 122.78 3f9s h PHE 14 Ca 0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 3f9s h PHE 14 Cb 0.80 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 3f9s h PHE 14 CO 0.08 -0.07 0.31 1.15 -2.23 0.00 0.00 178.31 177.56 3f9s h THR 15 N 0.11 1.21 0.90 4.41 2.02 -0.73 0.66 112.91 121.48 3f9s h THR 15 Ca 0.19 -0.56 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 3f9s h THR 15 Cb 0.26 0.45 0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3f9s h THR 15 CO -0.31 0.23 -0.43 -0.09 0.37 0.00 0.00 175.52 175.29 3f9s h ARG 16 N 0.84 -1.17 0.14 6.66 2.43 -0.77 0.42 114.38 122.93 3f9s h ARG 16 Ca 0.21 0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 3f9s h ARG 16 Cb 0.08 0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3f9s h ARG 16 CO -0.03 -0.78 -0.07 0.93 -1.51 0.00 0.00 179.97 178.51 3f9s h GLU 17 N -1.25 -0.19 0.02 0.20 5.08 -0.21 0.10 114.58 118.33 3f9s h GLU 17 Ca -0.12 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3f9s h GLU 17 Cb 0.93 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3f9s h GLU 17 CO 0.20 0.16 -0.01 0.28 -1.00 0.00 0.00 179.01 178.65 3f9s h VAL 18 N -0.56 1.40 0.10 3.13 2.07 -1.01 0.25 116.25 121.64 3f9s h VAL 18 Ca -0.02 -1.90 -0.35 0.00 0.82 0.00 0.00 66.70 65.25 3f9s h VAL 18 Cb 0.43 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 3f9s h VAL 18 CO 0.03 0.45 -1.90 -0.50 0.02 0.00 0.00 177.57 175.67 3f9s h TRP 19 N -0.93 0.39 0.09 1.57 4.06 -1.43 -2.20 115.95 117.50 3f9s h TRP 19 Ca -0.00 -0.29 -0.32 0.00 2.06 0.00 0.00 58.89 60.34 3f9s h TRP 19 Cb 0.76 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.88 3f9s h TRP 19 CO 0.20 1.60 -1.73 0.77 -3.56 0.00 0.00 178.44 175.71 3f9s h SER 20 N 0.06 0.28 0.00 -3.49 0.02 -0.73 -3.40 113.55 106.29 3f9s h SER 20 Ca -0.38 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.05 3f9s h SER 20 Cb 2.03 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.48 3f9s h SER 20 CO 0.10 1.45 -1.02 -0.62 -1.14 0.00 0.00 176.83 175.60 3f9s n GLU 21 N -3.34 0.76 -1.92 3.45 1.02 0.33 -4.62 120.64 116.31 3f9s n GLU 21 Ca -0.22 -0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 56.81 3f9s n GLU 21 Cb 1.05 -1.40 -0.02 0.00 -0.02 0.00 0.00 31.44 31.05 3f9s n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3f9s n GLY 22 N 1.44 0.31 3.54 0.62 0.00 -0.83 -4.92 105.19 105.34 3f9s n GLY 22 Ca 0.03 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 3f9s n GLY 22 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3f9s s ASN 23 N -2.67 6.90 0.19 1.61 3.84 0.85 -4.79 114.94 120.87 3f9s s ASN 23 Ca 0.00 -2.59 -0.11 0.00 0.21 0.00 0.00 52.86 50.36 3f9s s ASN 23 Cb 0.00 -2.52 0.16 0.00 -0.55 0.00 0.00 41.25 38.34 3f9s s ASN 23 CO 0.00 -1.04 1.83 0.40 -2.79 0.00 0.00 177.10 175.50 3f9s h ILE 24 N 5.31 1.07 0.00 -5.21 1.08 -1.82 -1.80 117.51 116.14 3f9s h ILE 24 Ca 0.39 -0.26 -0.01 0.00 -0.39 0.00 0.00 64.86 64.59 3f9s h ILE 24 Cb 0.88 0.26 -0.00 0.00 -3.07 0.00 0.00 36.82 34.88 3f9s h ILE 24 CO 1.38 0.14 -0.06 -0.33 -0.69 0.00 0.00 178.15 178.59 3f9s h GLU 25 N 0.75 0.00 0.00 2.37 4.39 -1.97 -1.84 114.58 118.28 3f9s h GLU 25 Ca 0.25 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 3f9s h GLU 25 Cb 0.03 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3f9s h GLU 25 CO -0.11 0.06 -0.00 0.00 -1.16 0.00 0.00 179.01 177.80 3f9s h ALA 26 N 1.94 1.03 -1.03 3.43 0.00 -1.70 -1.81 119.26 121.13 3f9s h ALA 26 Ca -0.00 -0.00 0.27 0.00 0.00 0.00 0.00 54.91 55.18 3f9s h ALA 26 Cb 0.36 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 3f9s h ALA 26 CO 0.01 0.00 0.69 0.77 0.00 0.00 0.00 179.25 180.72 3f9s h SER 27 N 0.00 0.30 -0.73 0.00 0.02 -1.46 -0.88 113.55 110.80 3f9s h SER 27 Ca -0.00 0.05 0.19 0.00 -0.84 0.00 0.00 61.79 61.19 3f9s h SER 27 Cb 0.05 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3f9s h SER 27 CO 0.00 0.07 0.51 0.44 -1.14 0.00 0.00 176.83 176.71 3f9s h ASP 28 N 0.27 0.13 1.81 3.07 3.32 -1.56 -0.43 116.42 123.03 3f9s h ASP 28 Ca 0.55 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.58 3f9s h ASP 28 Cb 1.63 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 41.16 3f9s h ASP 28 CO -0.18 0.06 -0.19 0.11 -1.72 0.00 0.00 179.24 177.31 3f9s h LYS 29 N 0.13 0.00 0.00 3.56 1.57 -1.37 -3.40 116.57 117.06 3f9s h LYS 29 Ca 0.35 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.09 3f9s h LYS 29 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 3f9s h LYS 29 CO -0.05 0.11 -1.25 0.66 -0.57 0.00 0.00 179.45 178.35 3f9s n TYR 30 N -3.09 0.00 -3.50 -1.35 4.01 -0.63 -4.88 117.16 107.71 3f9s n TYR 30 Ca 0.03 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.39 3f9s n TYR 30 Cb 0.58 -0.16 -0.06 0.00 -0.31 0.00 0.00 39.34 39.39 3f9s n TYR 30 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3f9s s ILE 31 N -2.20 5.13 0.87 -0.72 -1.09 -0.27 0.17 121.20 123.09 3f9s s ILE 31 Ca -0.02 0.77 -0.12 0.00 -2.23 0.00 0.00 60.65 59.06 3f9s s ILE 31 Cb 0.02 -3.69 0.11 0.00 -1.58 0.00 0.00 42.46 37.32 3f9s s ILE 31 CO 0.18 0.52 1.09 0.00 -1.23 0.00 0.00 174.94 175.50 3f9s s ALA 32 N -0.59 1.75 0.53 9.38 0.00 0.29 -4.75 121.76 128.38 3f9s s ALA 32 Ca 0.22 -0.12 0.21 0.00 0.00 0.00 0.00 51.96 52.28 3f9s s ALA 32 Cb -0.16 -3.16 1.38 0.00 0.00 0.00 0.00 23.12 21.18 3f9s s ALA 32 CO 0.11 -2.17 2.09 -1.35 0.00 0.00 0.00 175.76 174.43 3f9s h PRO 33 N -1.42 0.00 -4.91 0.00 0.11 -1.93 -3.39 132.00 120.47 3f9s h PRO 33 Ca -0.49 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.01 3f9s h PRO 33 Cb 1.28 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 32.05 3f9s h PRO 33 CO 0.56 0.00 -0.85 0.15 -0.21 0.00 0.00 178.00 177.65 3f9s s LYS 34 N -4.99 2.43 -0.08 1.05 3.01 -1.26 -4.06 119.74 115.84 3f9s s LYS 34 Ca -0.05 -0.65 0.01 0.00 -1.01 0.00 0.00 55.97 54.27 3f9s s LYS 34 Cb 0.18 -1.98 0.02 0.00 -1.01 0.00 0.00 37.83 35.04 3f9s s LYS 34 CO 0.68 0.01 -0.08 -0.47 0.51 0.00 0.00 175.35 176.00 3f9s s TYR 35 N 0.77 1.25 -0.17 3.18 6.14 0.32 -4.53 117.35 124.30 3f9s s TYR 35 Ca -0.11 -0.52 -0.02 0.00 0.64 0.00 0.00 57.07 57.06 3f9s s TYR 35 Cb -0.16 -1.03 -0.01 0.00 0.42 0.00 0.00 41.96 41.18 3f9s s TYR 35 CO 0.01 -0.36 -0.08 0.99 0.64 0.00 0.00 175.55 176.75 3f9s s THR 36 N 1.28 3.35 -0.94 4.34 2.01 0.18 0.86 115.64 126.72 3f9s s THR 36 Ca -0.04 -0.53 -0.22 0.00 0.31 0.00 0.00 61.69 61.20 3f9s s THR 36 Cb -0.14 -2.47 0.07 0.00 0.01 0.00 0.00 72.50 69.97 3f9s s THR 36 CO -0.03 0.48 1.31 -0.69 -0.69 0.00 0.00 174.62 175.01 3f9s s VAL 37 N 0.77 4.13 0.15 3.82 1.01 -0.49 -1.87 120.40 127.92 3f9s s VAL 37 Ca -0.03 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 3f9s s VAL 37 Cb -0.15 -4.94 -0.00 0.00 0.00 0.00 0.00 36.38 31.28 3f9s s VAL 37 CO 0.02 -1.79 1.54 -0.07 0.00 0.00 0.00 175.10 174.80 3f9s h LEU 38 N 12.13 0.99 -7.00 3.92 3.38 -1.32 0.43 115.31 127.84 3f9s h LEU 38 Ca 0.09 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3f9s h LEU 38 Cb 1.02 -0.27 -0.21 0.00 0.09 0.00 0.00 40.66 41.29 3f9s h LEU 38 CO 1.31 1.17 0.06 -2.28 0.09 0.00 0.00 178.44 178.80 3f9s s HIS 39 N -4.66 -0.95 -0.36 1.13 5.04 -1.13 -4.50 115.29 109.86 3f9s s HIS 39 Ca -0.12 2.04 -0.06 0.00 -1.54 0.00 0.00 55.06 55.39 3f9s s HIS 39 Cb 0.12 0.49 0.21 0.00 0.04 0.00 0.00 32.58 33.43 3f9s s HIS 39 CO 0.87 -0.47 1.07 0.34 -2.34 0.00 0.00 174.74 174.20 3f9s s ASP 40 N 1.12 -0.38 -0.29 9.88 -1.08 -1.25 0.01 116.67 124.67 3f9s s ASP 40 Ca -0.06 -0.44 -0.43 0.00 -0.52 0.00 0.00 52.55 51.11 3f9s s ASP 40 Cb -0.05 0.50 -0.19 0.00 -1.46 0.00 0.00 42.92 41.72 3f9s s ASP 40 CO -0.11 -0.02 1.51 -2.65 0.52 0.00 0.00 175.17 174.42 3f9s n PRO 41 N 2.70 0.40 -0.63 4.34 -0.02 -1.26 -0.40 135.00 140.13 3f9s n PRO 41 Ca 0.12 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3f9s n PRO 41 Cb 0.64 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 3f9s n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f9s n GLY 42 N 3.42 1.69 3.71 -1.23 0.00 -1.26 -4.99 105.19 106.53 3f9s n GLY 42 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 3f9s n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f9s s ASP 43 N -3.33 7.00 0.57 1.61 -1.08 0.47 -4.89 116.67 117.02 3f9s s ASP 43 Ca 0.00 2.05 0.27 0.00 -0.52 0.00 0.00 52.55 54.35 3f9s s ASP 43 Cb 0.00 -2.57 1.60 0.00 -1.46 0.00 0.00 42.92 40.48 3f9s s ASP 43 CO 0.00 -0.55 2.11 -0.65 0.52 0.00 0.00 175.17 176.60 3f9s h PRO 44 N 7.02 0.00 -0.29 4.34 0.11 -1.94 -1.47 132.00 139.77 3f9s h PRO 44 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3f9s h PRO 44 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3f9s h PRO 44 CO 0.84 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 179.54 3f9s n TRP 45 N -3.96 0.37 -1.68 0.65 8.01 -1.26 -4.97 117.44 114.61 3f9s n TRP 45 Ca 0.02 -0.19 -0.45 0.00 -1.31 0.00 0.00 57.50 55.57 3f9s n TRP 45 Cb 0.31 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.58 3f9s n TRP 45 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 3f9s n GLU 46 N 0.81 2.15 -0.30 -0.99 2.13 -0.56 -0.76 120.64 123.12 3f9s n GLU 46 Ca 0.17 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.76 3f9s n GLU 46 Cb 0.43 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.64 3f9s n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3f9s n GLY 47 N 2.85 2.01 3.87 8.31 0.00 0.15 -5.01 105.19 117.37 3f9s n GLY 47 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3f9s n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f9s s ARG 48 N -0.13 3.83 -0.27 1.61 0.52 0.06 -4.82 118.95 119.73 3f9s s ARG 48 Ca 0.00 0.30 -0.11 0.00 -0.52 0.00 0.00 55.73 55.40 3f9s s ARG 48 Cb 0.00 -2.70 -0.05 0.00 0.52 0.00 0.00 34.95 32.72 3f9s s ARG 48 CO 0.00 0.35 0.18 -2.00 0.02 0.00 0.00 175.30 173.85 3f9s s GLU 49 N -2.65 3.96 0.10 3.54 2.12 -1.26 -1.39 118.70 123.11 3f9s s GLU 49 Ca 0.45 -0.32 0.05 0.00 0.36 0.00 0.00 54.97 55.52 3f9s s GLU 49 Cb -0.12 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 3f9s s GLU 49 CO 0.21 -0.15 -0.00 -0.51 -0.54 0.00 0.00 175.26 174.26 3f9s s LEU 50 N 1.66 3.43 0.72 2.70 1.43 0.25 -4.91 118.68 123.96 3f9s s LEU 50 Ca 0.07 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 3f9s s LEU 50 Cb -0.16 -2.15 0.13 0.00 0.03 0.00 0.00 46.19 44.04 3f9s s LEU 50 CO 0.10 0.16 0.99 1.51 0.23 0.00 0.00 176.35 179.35 3f9s s ASP 51 N -2.39 4.35 0.27 2.29 1.47 -1.26 -0.52 116.67 120.88 3f9s s ASP 51 Ca 0.26 -0.35 -0.03 0.00 1.18 0.00 0.00 52.55 53.61 3f9s s ASP 51 Cb -0.11 -0.04 0.38 0.00 -0.34 0.00 0.00 42.92 42.81 3f9s s ASP 51 CO 0.18 -1.86 1.90 0.58 0.68 0.00 0.00 175.17 176.66 3f9s h VAL 52 N -0.53 1.15 -0.21 2.11 2.07 -1.78 0.11 116.25 119.17 3f9s h VAL 52 Ca -0.36 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 66.75 3f9s h VAL 52 Cb 1.27 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3f9s h VAL 52 CO 0.40 0.22 0.08 0.00 0.02 0.00 0.00 177.57 178.30 3f9s h ALA 53 N 1.44 0.24 -0.64 1.67 0.00 -1.95 0.54 119.26 120.55 3f9s h ALA 53 Ca 0.40 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 3f9s h ALA 53 Cb 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3f9s h ALA 53 CO -0.14 -0.34 0.34 0.78 0.00 0.00 0.00 179.25 179.89 3f9s h GLY 54 N 0.18 0.97 0.58 0.00 0.00 -1.72 -1.08 103.07 102.00 3f9s h GLY 54 Ca 0.09 -0.45 0.05 0.00 0.00 0.00 0.00 47.33 47.01 3f9s h GLY 54 CO -0.08 0.43 0.04 -1.82 0.00 0.00 0.00 176.54 175.11 3f9s h TYR 55 N 0.88 0.07 -0.53 5.60 5.03 -0.41 -1.62 116.97 125.98 3f9s h TYR 55 Ca 0.22 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.51 3f9s h TYR 55 Cb 0.07 0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.34 3f9s h TYR 55 CO -0.00 -0.00 0.15 0.87 -1.32 0.00 0.00 178.16 177.85 3f9s h LYS 56 N 0.15 0.81 -0.81 1.82 1.57 -0.34 -0.55 116.57 119.22 3f9s h LYS 56 Ca 0.15 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3f9s h LYS 56 Cb 0.18 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 3f9s h LYS 56 CO -0.22 0.71 0.35 0.93 -0.57 0.00 0.00 179.45 180.65 3f9s h GLU 57 N 0.78 1.19 -0.55 3.15 4.39 -0.77 -0.23 114.58 122.54 3f9s h GLU 57 Ca 0.18 -0.20 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 3f9s h GLU 57 Cb 0.26 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3f9s h GLU 57 CO -0.01 0.95 0.11 -0.09 -1.16 0.00 0.00 179.01 178.81 3f9s h ARG 58 N 1.16 0.90 -0.49 2.33 2.43 -0.54 -1.44 114.38 118.74 3f9s h ARG 58 Ca 0.27 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3f9s h ARG 58 Cb 0.18 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 3f9s h ARG 58 CO -0.03 0.86 0.28 0.28 -1.51 0.00 0.00 179.97 179.86 3f9s h VAL 59 N 0.80 1.02 -0.77 0.20 2.07 -0.64 -0.97 116.25 117.96 3f9s h VAL 59 Ca 0.17 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.55 3f9s h VAL 59 Cb 0.39 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 3f9s h VAL 59 CO 0.01 0.10 0.48 0.11 0.02 0.00 0.00 177.57 178.29 3f9s h LYS 60 N 0.56 0.87 -0.00 1.57 1.57 -0.57 0.41 116.57 120.97 3f9s h LYS 60 Ca 0.20 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3f9s h LYS 60 Cb 0.05 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 3f9s h LYS 60 CO -0.11 0.58 -0.00 1.15 -0.57 0.00 0.00 179.45 180.50 3f9s h THR 61 N 0.90 1.28 -0.58 -0.16 2.02 -0.83 -1.11 112.91 114.43 3f9s h THR 61 Ca 0.33 -0.82 -0.09 0.00 0.77 0.00 0.00 66.41 66.60 3f9s h THR 61 Cb 0.11 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 3f9s h THR 61 CO -0.15 0.21 0.03 -0.07 0.37 0.00 0.00 175.52 175.91 3f9s h LEU 62 N -0.34 0.98 -0.58 2.58 4.07 -0.94 -2.97 115.31 118.11 3f9s h LEU 62 Ca 0.00 -0.29 -0.07 0.00 0.08 0.00 0.00 57.88 57.60 3f9s h LEU 62 Cb 0.35 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.80 3f9s h LEU 62 CO 0.00 1.04 0.10 0.03 -1.08 0.00 0.00 178.44 178.53 3f9s h ARG 63 N 0.90 0.95 -0.48 1.13 2.47 -0.20 -2.99 114.38 116.16 3f9s h ARG 63 Ca 0.17 -0.25 0.07 0.00 -1.26 0.00 0.00 59.98 58.70 3f9s h ARG 63 Cb 0.52 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.69 3f9s h ARG 63 CO 0.02 0.90 0.32 0.00 0.56 0.00 0.00 179.97 181.78 3f9s h ALA 64 N 1.01 1.97 -0.85 0.04 0.00 -1.05 -0.96 119.26 119.42 3f9s h ALA 64 Ca 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3f9s h ALA 64 Cb 0.41 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3f9s h ALA 64 CO 0.01 -0.06 0.45 0.00 0.00 0.00 0.00 179.25 179.64 3f9s h ALA 65 N 1.74 1.09 -2.32 0.00 0.00 -1.38 -3.36 119.26 115.04 3f9s h ALA 65 Ca 0.21 -0.14 -0.58 0.00 0.00 0.00 0.00 54.91 54.41 3f9s h ALA 65 Cb 0.37 -0.34 -0.38 0.00 0.00 0.00 0.00 17.79 17.44 3f9s h ALA 65 CO -0.05 0.62 -0.97 1.19 0.00 0.00 0.00 179.25 180.04 3f9s n PHE 66 N -4.35 -1.00 0.30 0.00 3.72 -0.88 -4.50 117.46 110.75 3f9s n PHE 66 Ca 0.09 -3.26 0.17 0.00 -0.05 0.00 0.00 57.45 54.39 3f9s n PHE 66 Cb 0.11 0.28 0.93 0.00 -0.94 0.00 0.00 39.48 39.86 3f9s n PHE 66 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3f9s h PRO 67 N 5.57 0.00 -0.64 -1.08 0.13 -1.35 -1.71 132.00 132.92 3f9s h PRO 67 Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 3f9s h PRO 67 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3f9s h PRO 67 CO 0.36 0.03 0.00 -0.40 -0.23 0.00 0.00 178.00 177.77 3f9s n ASP 68 N -3.52 4.99 -4.71 1.44 5.75 -1.26 -4.92 116.55 114.31 3f9s n ASP 68 Ca -0.02 -2.56 -0.39 0.00 -0.01 0.00 0.00 54.79 51.81 3f9s n ASP 68 Cb 0.14 -0.60 0.03 0.00 -1.03 0.00 0.00 41.12 39.66 3f9s n ASP 68 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3f9s n GLN 69 N 1.02 1.66 -3.78 0.11 10.64 -0.65 -4.72 117.38 121.67 3f9s n GLN 69 Ca 0.26 0.61 -0.16 0.00 -1.83 0.00 0.00 57.00 55.89 3f9s n GLN 69 Cb 0.96 -2.45 -0.16 0.00 -0.86 0.00 0.00 30.24 27.72 3f9s n GLN 69 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3f9s s PHE 71 N 1.15 3.64 -0.32 0.00 0.40 -1.26 -1.62 117.98 119.97 3f9s s PHE 71 Ca -0.08 0.80 0.02 0.00 -0.60 0.00 0.00 56.93 57.07 3f9s s PHE 71 Cb -0.13 -2.22 0.10 0.00 0.51 0.00 0.00 43.02 41.28 3f9s s PHE 71 CO -0.03 0.57 0.06 0.34 0.70 0.00 0.00 175.22 176.87 3f9s s ASP 72 N -0.70 4.43 0.14 1.36 2.15 0.57 -4.94 116.67 119.69 3f9s s ASP 72 Ca 0.20 -1.91 -0.31 0.00 0.43 0.00 0.00 52.55 50.97 3f9s s ASP 72 Cb -0.15 -1.30 -0.08 0.00 -0.30 0.00 0.00 42.92 41.08 3f9s s ASP 72 CO 0.09 -0.39 1.41 -0.63 -0.17 0.00 0.00 175.17 175.48 3f9s s ILE 73 N 1.21 3.15 -0.25 4.11 1.01 -1.26 -1.10 121.20 128.06 3f9s s ILE 73 Ca 0.10 0.84 -0.16 0.00 0.00 0.00 0.00 60.65 61.43 3f9s s ILE 73 Cb -0.18 -3.54 -0.12 0.00 0.01 0.00 0.00 42.46 38.62 3f9s s ILE 73 CO -0.15 0.08 -0.25 0.00 0.00 0.00 0.00 174.94 174.62 3f9s n GLN 74 N 3.71 0.58 -3.96 2.79 1.13 0.98 -4.92 117.38 117.69 3f9s n GLN 74 Ca 0.11 0.32 -0.09 0.00 -1.94 0.00 0.00 57.00 55.40 3f9s n GLN 74 Cb 0.42 -1.54 -0.10 0.00 0.11 0.00 0.00 30.24 29.13 3f9s n GLN 74 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3f9s s GLY 75 N -5.30 0.22 -0.10 1.08 0.00 -1.11 -4.97 107.32 97.15 3f9s s GLY 75 Ca -0.35 -0.58 0.01 0.00 0.00 0.00 0.00 44.72 43.79 3f9s s GLY 75 CO 0.49 -0.68 -0.10 1.08 0.00 0.00 0.00 173.10 173.90 3f9s s LEU 76 N -1.79 1.38 -0.29 0.66 1.43 -1.26 -1.18 118.68 117.64 3f9s s LEU 76 Ca -0.10 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 3f9s s LEU 76 Cb -0.05 -0.85 0.08 0.00 0.03 0.00 0.00 46.19 45.40 3f9s s LEU 76 CO -0.02 -0.06 0.01 -0.36 0.23 0.00 0.00 176.35 176.15 3f9s s PHE 77 N 1.31 2.72 -0.15 0.29 0.08 0.86 -4.95 117.98 118.14 3f9s s PHE 77 Ca -0.02 -2.19 -0.15 0.00 0.12 0.00 0.00 56.93 54.69 3f9s s PHE 77 Cb -0.14 -2.07 -0.04 0.00 -0.57 0.00 0.00 43.02 40.20 3f9s s PHE 77 CO -0.04 -0.86 0.35 0.00 -0.10 0.00 0.00 175.22 174.57 3f9s s ALA 78 N 1.27 3.56 -0.22 5.36 0.00 -1.26 -0.23 121.76 130.24 3f9s s ALA 78 Ca 0.03 -0.38 -0.06 0.00 0.00 0.00 0.00 51.96 51.55 3f9s s ALA 78 Cb -0.19 -2.47 0.11 0.00 0.00 0.00 0.00 23.12 20.57 3f9s s ALA 78 CO -0.11 0.05 0.44 0.34 0.00 0.00 0.00 175.76 176.48 3f9s s ASP 79 N 0.53 -0.29 1.76 0.00 -1.08 0.14 -4.99 116.67 112.74 3f9s s ASP 79 Ca 0.19 0.90 0.00 0.00 -0.52 0.00 0.00 52.55 53.12 3f9s s ASP 79 Cb -0.14 1.42 0.00 0.00 -1.46 0.00 0.00 42.92 42.74 3f9s s ASP 79 CO 0.06 -0.24 0.00 0.61 0.52 0.00 0.00 175.17 176.11 3f9s n GLY 80 N 5.39 2.85 0.53 2.66 0.00 -1.26 -1.99 105.19 113.37 3f9s n GLY 80 Ca -0.08 -0.24 0.03 0.00 0.00 0.00 0.00 46.02 45.73 3f9s n GLY 80 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f9s n ASP 81 N 5.55 1.45 -4.19 1.61 5.75 -1.26 -4.24 116.55 121.23 3f9s n ASP 81 Ca 0.00 -2.08 -0.18 0.00 -0.01 0.00 0.00 54.79 52.52 3f9s n ASP 81 Cb 0.00 -0.27 -0.12 0.00 -1.03 0.00 0.00 41.12 39.70 3f9s n ASP 81 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3f9s s ALA 82 N -1.65 1.23 -0.08 2.12 0.00 -0.84 -0.06 121.76 122.48 3f9s s ALA 82 Ca 0.14 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 3f9s s ALA 82 Cb 0.08 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.15 3f9s s ALA 82 CO 0.07 0.12 -0.03 0.08 0.00 0.00 0.00 175.76 176.01 3f9s s VAL 83 N -1.61 0.61 0.27 0.00 1.01 0.33 -0.69 120.40 120.31 3f9s s VAL 83 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 3f9s s VAL 83 Cb -0.08 -0.71 0.06 0.00 0.00 0.00 0.00 36.38 35.65 3f9s s VAL 83 CO 0.02 0.29 0.36 0.52 0.00 0.00 0.00 175.10 176.30 3f9s n VAL 84 N 4.98 0.00 -3.55 2.92 0.31 0.68 -0.48 118.33 123.19 3f9s n VAL 84 Ca -0.10 -0.48 -0.16 0.00 -0.01 0.00 0.00 64.34 63.59 3f9s n VAL 84 Cb 0.50 -1.37 -0.06 0.00 -0.91 0.00 0.00 33.84 32.00 3f9s n VAL 84 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3f9s s THR 86 N -1.15 0.00 0.08 2.52 -4.23 -0.32 -0.10 115.64 112.44 3f9s s THR 86 Ca 0.23 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.51 3f9s s THR 86 Cb -0.01 -1.00 0.06 0.00 1.34 0.00 0.00 72.50 72.89 3f9s s THR 86 CO 0.16 0.00 0.55 -1.66 -0.54 0.00 0.00 174.62 173.12 3f9s s TRP 87 N -0.81 -0.46 0.31 3.99 1.48 0.20 -0.01 118.94 123.64 3f9s s TRP 87 Ca -0.07 0.42 0.08 0.00 -1.06 0.00 0.00 56.10 55.46 3f9s s TRP 87 Cb -0.01 0.41 -0.03 0.00 -1.16 0.00 0.00 33.47 32.67 3f9s s TRP 87 CO 0.07 -0.72 0.21 -0.51 -4.06 0.00 0.00 176.95 171.94 3f9s s LEU 88 N -2.25 3.54 -0.13 -4.66 1.43 -0.26 -0.36 118.68 115.99 3f9s s LEU 88 Ca -0.03 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 52.42 3f9s s LEU 88 Cb -0.00 -2.10 0.04 0.00 0.03 0.00 0.00 46.19 44.16 3f9s s LEU 88 CO -0.06 -0.23 0.38 0.86 0.23 0.00 0.00 176.35 177.54 3f9s s TRP 89 N -2.29 -0.40 0.02 0.29 -0.00 -1.26 -0.31 118.94 114.98 3f9s s TRP 89 Ca 0.37 0.96 0.01 0.00 -0.00 0.00 0.00 56.10 57.44 3f9s s TRP 89 Cb -0.06 0.14 -0.01 0.00 -0.00 0.00 0.00 33.47 33.54 3f9s s TRP 89 CO 0.25 -0.23 -0.05 0.95 -0.00 0.00 0.00 176.95 177.87 3f9s s THR 90 N 0.02 0.34 0.03 5.86 -4.23 -0.64 -4.29 115.64 112.73 3f9s s THR 90 Ca -0.02 -0.68 -0.28 0.00 -1.18 0.00 0.00 61.69 59.54 3f9s s THR 90 Cb -0.03 -0.39 0.07 0.00 1.34 0.00 0.00 72.50 73.49 3f9s s THR 90 CO 0.01 -0.23 0.65 0.00 -0.54 0.00 0.00 174.62 174.51 3f9s s ALA 91 N -0.88 -1.70 0.03 3.99 0.00 -0.54 -0.45 121.76 122.20 3f9s s ALA 91 Ca -0.07 1.01 -0.18 0.00 0.00 0.00 0.00 51.96 52.72 3f9s s ALA 91 Cb -0.07 0.32 -0.06 0.00 0.00 0.00 0.00 23.12 23.32 3f9s s ALA 91 CO -0.00 -0.51 0.53 0.99 0.00 0.00 0.00 175.76 176.76 3f9s s THR 92 N -2.13 4.88 -1.27 0.00 2.01 -1.26 0.43 115.64 118.29 3f9s s THR 92 Ca -0.07 1.11 -0.15 0.00 0.31 0.00 0.00 61.69 62.89 3f9s s THR 92 Cb -0.00 -3.85 0.13 0.00 0.01 0.00 0.00 72.50 68.78 3f9s s THR 92 CO 0.02 0.52 1.66 1.57 -0.69 0.00 0.00 174.62 177.70 3f9s n HIS 93 N 2.07 4.50 0.18 4.92 -0.00 0.70 -4.62 115.22 122.97 3f9s n HIS 93 Ca -0.10 -3.08 0.02 0.00 0.46 0.00 0.00 57.72 55.01 3f9s n HIS 93 Cb 0.51 -2.34 -0.00 0.00 -0.12 0.00 0.00 29.99 28.04 3f9s n HIS 93 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 3f9s n LYS 94 N 6.39 2.89 -4.19 1.57 2.85 -1.26 0.12 118.16 126.52 3f9s n LYS 94 Ca 0.43 -0.35 -0.32 0.00 -1.05 0.00 0.00 58.31 57.02 3f9s n LYS 94 Cb 0.43 -0.87 -0.08 0.00 -0.65 0.00 0.00 35.03 33.86 3f9s n LYS 94 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3f9s s GLU 95 N -0.89 2.82 0.02 -1.58 0.41 -1.26 -4.69 118.70 113.52 3f9s s GLU 95 Ca 0.03 -0.63 -0.30 0.00 -0.41 0.00 0.00 54.97 53.66 3f9s s GLU 95 Cb 0.03 -2.70 -0.05 0.00 -1.78 0.00 0.00 34.13 29.64 3f9s s GLU 95 CO 0.11 0.61 1.23 -0.51 -0.49 0.00 0.00 175.26 176.20 3f9s s ASP 96 N -1.81 7.04 0.30 -0.19 1.01 -1.26 -3.62 116.67 118.14 3f9s s ASP 96 Ca 0.22 1.97 0.11 0.00 0.71 0.00 0.00 52.55 55.56 3f9s s ASP 96 Cb -0.12 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.19 3f9s s ASP 96 CO 0.14 -0.54 -0.15 0.27 0.21 0.00 0.00 175.17 175.10 3f9s s ILE 97 N 1.58 2.31 -0.39 0.77 -4.36 -0.95 -4.93 121.20 115.23 3f9s s ILE 97 Ca 0.59 -2.31 -0.36 0.00 -0.26 0.00 0.00 60.65 58.30 3f9s s ILE 97 Cb -0.28 -2.41 -0.13 0.00 1.25 0.00 0.00 42.46 40.88 3f9s s ILE 97 CO 0.27 -0.34 2.19 -2.65 0.24 0.00 0.00 174.94 174.65 3f9s n PRO 98 N -0.66 0.87 0.00 0.37 -0.02 -1.26 -1.50 135.00 132.80 3f9s n PRO 98 Ca -0.05 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3f9s n PRO 98 Cb 0.61 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 3f9s n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f9s n GLY 99 N 6.71 2.86 2.75 -1.23 0.00 -1.26 -4.96 105.19 110.06 3f9s n GLY 99 Ca 0.44 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 3f9s n GLY 99 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f9s s PHE 100 N -1.88 2.27 0.59 1.61 0.08 -0.56 -5.09 117.98 115.00 3f9s s PHE 100 Ca 0.00 -2.63 -0.18 0.00 0.12 0.00 0.00 56.93 54.24 3f9s s PHE 100 Cb 0.00 -2.05 -0.03 0.00 -0.57 0.00 0.00 43.02 40.36 3f9s s PHE 100 CO 0.00 -0.75 1.18 -2.14 -0.10 0.00 0.00 175.22 173.40 3f9s s PRO 101 N 0.05 3.01 -0.35 0.24 0.02 -1.26 -2.23 135.00 134.48 3f9s s PRO 101 Ca 0.19 1.72 -0.28 0.00 0.02 0.00 0.00 61.00 62.65 3f9s s PRO 101 Cb -0.21 -1.95 -0.12 0.00 0.02 0.00 0.00 34.50 32.24 3f9s s PRO 101 CO -0.03 -1.15 1.40 -1.13 -0.33 0.00 0.00 177.00 175.76 3f9s n SER 102 N -1.67 0.46 -0.01 2.53 3.41 -1.24 -4.89 113.62 112.22 3f9s n SER 102 Ca 0.13 0.41 0.08 0.00 -0.26 0.00 0.00 58.87 59.23 3f9s n SER 102 Cb 0.50 -0.58 -0.10 0.00 -0.26 0.00 0.00 64.21 63.78 3f9s n SER 102 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3f9s n THR 103 N 4.22 0.00 -0.81 6.66 -2.24 0.22 -4.92 114.28 117.41 3f9s n THR 103 Ca 0.36 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 3f9s n THR 103 Cb -0.02 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 3f9s n THR 103 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f9s n GLY 104 N 1.42 0.52 3.86 3.38 0.00 0.33 -4.97 105.19 109.72 3f9s n GLY 104 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3f9s n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3f9s s LYS 105 N -0.50 3.83 0.04 1.61 -2.85 -1.26 -4.51 119.74 116.10 3f9s s LYS 105 Ca 0.00 0.74 -0.30 0.00 -1.00 0.00 0.00 55.97 55.41 3f9s s LYS 105 Cb 0.00 -2.22 -0.05 0.00 -2.06 0.00 0.00 37.83 33.50 3f9s s LYS 105 CO 0.00 -0.23 1.20 -0.65 0.10 0.00 0.00 175.35 175.77 3f9s s GLN 106 N -4.17 4.42 -0.13 1.78 -1.52 -1.26 -0.22 119.66 118.56 3f9s s GLN 106 Ca 0.55 1.74 -0.04 0.00 -1.95 0.00 0.00 55.36 55.67 3f9s s GLN 106 Cb -0.10 -3.40 -0.03 0.00 -0.22 0.00 0.00 33.01 29.26 3f9s s GLN 106 CO 0.35 -0.29 0.01 0.42 -0.25 0.00 0.00 175.29 175.53 3f9s s ILE 107 N 1.30 4.35 0.35 1.08 -1.09 0.17 -4.92 121.20 122.43 3f9s s ILE 107 Ca 0.58 -0.21 0.09 0.00 -2.23 0.00 0.00 60.65 58.88 3f9s s ILE 107 Cb -0.28 -2.88 -0.06 0.00 -1.58 0.00 0.00 42.46 37.65 3f9s s ILE 107 CO 0.28 0.54 -0.07 -0.54 -1.23 0.00 0.00 174.94 173.92 3f9s s LYS 108 N -0.28 1.86 0.11 2.79 1.02 -1.26 -1.47 119.74 122.51 3f9s s LYS 108 Ca 0.06 -1.93 -0.21 0.00 0.02 0.00 0.00 55.97 53.91 3f9s s LYS 108 Cb -0.12 -1.73 0.06 0.00 -0.52 0.00 0.00 37.83 35.51 3f9s s LYS 108 CO 0.02 0.13 0.53 -1.54 -0.92 0.00 0.00 175.35 173.57 3f9s s SER 110 N -3.63 -0.45 0.23 2.83 1.04 -1.26 -4.42 113.70 108.04 3f9s s SER 110 Ca 0.33 0.01 -0.22 0.00 0.48 0.00 0.00 55.95 56.55 3f9s s SER 110 Cb 0.03 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.72 3f9s s SER 110 CO 0.17 -0.85 0.81 -0.83 0.98 0.00 0.00 173.24 173.52 3f9s s GLY 111 N -2.45 -0.14 -0.02 7.32 0.00 0.51 -0.66 107.32 111.88 3f9s s GLY 111 Ca -0.01 -0.16 0.02 0.00 0.00 0.00 0.00 44.72 44.57 3f9s s GLY 111 CO -0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 173.10 172.91 3f9s s ALA 112 N -3.67 0.62 -0.06 3.20 0.00 -0.03 -0.63 121.76 121.19 3f9s s ALA 112 Ca 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 51.96 51.87 3f9s s ALA 112 Cb -0.04 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.84 3f9s s ALA 112 CO 0.05 0.08 0.05 0.99 0.00 0.00 0.00 175.76 176.93 3f9s s THR 113 N 0.33 -0.03 -0.14 0.00 2.01 -1.26 -1.03 115.64 115.51 3f9s s THR 113 Ca -0.04 0.33 -0.25 0.00 0.31 0.00 0.00 61.69 62.04 3f9s s THR 113 Cb -0.08 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 72.16 3f9s s THR 113 CO -0.00 0.15 0.82 -0.69 -0.69 0.00 0.00 174.62 174.21 3f9s s VAL 114 N 2.13 4.91 -0.14 3.82 1.01 0.11 -4.30 120.40 127.95 3f9s s VAL 114 Ca 0.05 1.62 -0.02 0.00 0.00 0.00 0.00 61.98 63.63 3f9s s VAL 114 Cb -0.12 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 3f9s s VAL 114 CO -0.04 0.07 -0.07 -0.31 0.00 0.00 0.00 175.10 174.75 3f9s s TYR 115 N 1.87 2.94 -0.07 5.22 2.02 0.37 -1.09 117.35 128.61 3f9s s TYR 115 Ca 0.39 -0.37 -0.04 0.00 -0.37 0.00 0.00 57.07 56.68 3f9s s TYR 115 Cb -0.17 -1.89 -0.04 0.00 -0.40 0.00 0.00 41.96 39.46 3f9s s TYR 115 CO 0.14 -0.05 0.11 0.71 -1.57 0.00 0.00 175.55 174.89 3f9s s TYR 116 N 0.21 3.44 0.15 2.71 2.02 -0.80 -0.52 117.35 124.57 3f9s s TYR 116 Ca -0.04 0.36 0.11 0.00 -0.37 0.00 0.00 57.07 57.13 3f9s s TYR 116 Cb -0.14 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.53 3f9s s TYR 116 CO 0.04 0.63 -0.26 -0.06 -1.57 0.00 0.00 175.55 174.33 3f9s s PHE 117 N -1.10 2.31 -0.34 2.71 0.40 0.92 -0.14 117.98 122.73 3f9s s PHE 117 Ca 0.19 -0.37 -0.00 0.00 -0.60 0.00 0.00 56.93 56.14 3f9s s PHE 117 Cb -0.12 -1.22 0.11 0.00 0.51 0.00 0.00 43.02 42.30 3f9s s PHE 117 CO 0.09 0.38 0.14 0.34 0.70 0.00 0.00 175.22 176.87 3f9s s ASP 118 N -2.23 3.85 1.68 1.36 -1.08 0.86 -3.98 116.67 117.13 3f9s s ASP 118 Ca 0.16 -1.90 0.00 0.00 -0.52 0.00 0.00 52.55 50.29 3f9s s ASP 118 Cb -0.09 -0.86 0.00 0.00 -1.46 0.00 0.00 42.92 40.51 3f9s s ASP 118 CO 0.07 -0.37 0.00 0.61 0.52 0.00 0.00 175.17 176.00 3f9s n GLY 119 N 4.50 2.78 0.49 2.66 0.00 0.15 -1.95 105.19 113.83 3f9s n GLY 119 Ca 0.01 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.89 3f9s n GLY 119 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f9s n ASN 120 N 6.33 1.47 -4.56 1.61 4.13 -1.26 -3.64 115.26 119.34 3f9s n ASN 120 Ca 0.00 -1.72 -0.31 0.00 1.68 0.00 0.00 54.58 54.23 3f9s n ASN 120 Cb 0.00 -0.11 -0.11 0.00 -1.54 0.00 0.00 39.78 38.02 3f9s n ASN 120 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3f9s s ARG 121 N -1.78 2.30 -0.07 3.52 0.52 -0.82 -4.81 118.95 117.80 3f9s s ARG 121 Ca 0.30 -0.88 -0.19 0.00 -0.52 0.00 0.00 55.73 54.43 3f9s s ARG 121 Cb 0.16 -2.36 -0.05 0.00 0.52 0.00 0.00 34.95 33.22 3f9s s ARG 121 CO 0.24 0.55 0.53 -0.51 0.02 0.00 0.00 175.30 176.13 3f9s s LEU 122 N -1.70 4.34 -0.00 2.53 1.43 0.13 -0.10 118.68 125.30 3f9s s LEU 122 Ca 0.18 0.97 0.15 0.00 -1.03 0.00 0.00 54.13 54.40 3f9s s LEU 122 Cb -0.11 -2.80 -0.17 0.00 0.03 0.00 0.00 46.19 43.14 3f9s s LEU 122 CO 0.09 0.04 0.63 0.35 0.23 0.00 0.00 176.35 177.69 3f9s n THR 123 N 3.26 0.00 0.00 5.49 -2.24 0.80 -0.55 114.28 121.03 3f9s n THR 123 Ca -0.07 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3f9s n THR 123 Cb 0.51 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 3f9s n THR 123 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f9s n GLY 124 N 1.38 -0.27 3.12 3.38 0.00 -1.24 -0.65 105.19 110.91 3f9s n GLY 124 Ca 0.02 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 3f9s n GLY 124 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3f9s s HIS 125 N -2.00 0.21 -0.20 1.61 -0.00 -0.78 -1.90 115.29 112.23 3f9s s HIS 125 Ca 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 55.06 54.55 3f9s s HIS 125 Cb 0.00 -0.15 0.05 0.00 -0.00 0.00 0.00 32.58 32.48 3f9s s HIS 125 CO 0.00 -0.37 -0.07 -0.46 -0.00 0.00 0.00 174.74 173.84 3f9s s TRP 126 N -2.67 2.21 0.04 0.38 -0.00 -0.25 -0.89 118.94 117.76 3f9s s TRP 126 Ca -0.04 -1.50 0.04 0.00 -0.00 0.00 0.00 56.10 54.59 3f9s s TRP 126 Cb -0.01 -1.53 -0.02 0.00 -0.00 0.00 0.00 33.47 31.91 3f9s s TRP 126 CO -0.05 -0.72 -0.11 -1.14 -0.00 0.00 0.00 176.95 174.93 3f9s s GLN 127 N 1.46 0.74 -0.01 5.86 0.74 0.10 0.09 119.66 128.63 3f9s s GLN 127 Ca -0.02 -0.73 0.02 0.00 0.05 0.00 0.00 55.36 54.68 3f9s s GLN 127 Cb -0.17 -0.67 0.00 0.00 1.10 0.00 0.00 33.01 33.27 3f9s s GLN 127 CO -0.08 0.16 -0.07 0.42 -0.55 0.00 0.00 175.29 175.17 3f9s s ILE 128 N -1.00 0.61 0.13 -2.34 -1.09 -0.20 -3.92 121.20 113.38 3f9s s ILE 128 Ca -0.02 -0.29 0.04 0.00 -2.23 0.00 0.00 60.65 58.14 3f9s s ILE 128 Cb -0.08 -0.54 -0.04 0.00 -1.58 0.00 0.00 42.46 40.22 3f9s s ILE 128 CO 0.01 0.19 -0.10 0.42 -1.23 0.00 0.00 174.94 174.23 3f9s s THR 129 N 0.06 1.04 -1.44 2.92 -4.23 -1.26 -0.85 115.64 111.88 3f9s s THR 129 Ca -0.00 -1.94 -0.13 0.00 -1.18 0.00 0.00 61.69 58.44 3f9s s THR 129 Cb -0.06 -1.70 0.06 0.00 1.34 0.00 0.00 72.50 72.14 3f9s s THR 129 CO -0.00 -0.72 2.23 -0.67 -0.54 0.00 0.00 174.62 174.92 3f9s n ASP 130 N 0.02 4.64 0.10 3.99 2.03 0.16 -4.69 116.55 122.80 3f9s n ASP 130 Ca -0.12 -2.88 -0.01 0.00 0.52 0.00 0.00 54.79 52.31 3f9s n ASP 130 Cb 0.60 -1.61 0.28 0.00 -0.72 0.00 0.00 41.12 39.67 3f9s n ASP 130 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3f9s h ARG 131 N 5.83 0.25 -0.60 -0.67 3.08 -1.97 -2.85 114.38 117.45 3f9s h ARG 131 Ca 0.56 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.46 3f9s h ARG 131 Cb 0.60 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 3f9s h ARG 131 CO 1.82 0.53 0.14 1.25 -1.07 0.00 0.00 179.97 182.65 3f9s h LEU 132 N 0.22 0.92 -0.25 3.04 5.85 -1.99 -0.04 115.31 123.06 3f9s h LEU 132 Ca 0.03 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.57 3f9s h LEU 132 Cb 0.65 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 3f9s h LEU 132 CO 0.05 0.91 -0.08 1.23 -0.34 0.00 0.00 178.44 180.21 3f9s h GLY 133 N 0.88 0.16 1.00 3.75 0.00 -1.89 0.24 103.07 107.20 3f9s h GLY 133 Ca 0.19 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.62 3f9s h GLY 133 CO 0.00 -0.11 0.04 -2.08 0.00 0.00 0.00 176.54 174.40 3f9s h VAL 134 N -0.03 1.02 -0.47 4.60 2.07 -1.26 -0.31 116.25 121.87 3f9s h VAL 134 Ca 0.13 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.70 3f9s h VAL 134 Cb 0.22 0.92 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 3f9s h VAL 134 CO -0.28 0.02 -0.04 0.22 0.02 0.00 0.00 177.57 177.51 3f9s h TYR 135 N 0.09 -0.11 -0.44 1.57 5.03 -0.59 0.77 116.97 123.30 3f9s h TYR 135 Ca 0.02 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.36 3f9s h TYR 135 Cb -0.01 0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.37 3f9s h TYR 135 CO -0.07 -0.14 0.24 1.96 -1.32 0.00 0.00 178.16 178.83 3f9s h GLN 136 N 0.07 0.62 -0.81 1.82 4.20 -0.27 -2.13 115.11 118.61 3f9s h GLN 136 Ca 0.23 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.83 3f9s h GLN 136 Cb 0.35 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 3f9s h GLN 136 CO -0.42 0.49 0.34 1.96 -0.67 0.00 0.00 178.83 180.53 3f9s h GLN 137 N 0.58 1.19 -0.33 1.46 4.20 -0.30 -1.71 115.11 120.21 3f9s h GLN 137 Ca 0.16 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 3f9s h GLN 137 Cb 0.05 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3f9s h GLN 137 CO -0.03 0.95 -0.01 -0.07 -0.67 0.00 0.00 178.83 179.00 3f9s h LEU 138 N 1.17 0.47 -0.23 1.46 3.38 -0.73 -0.87 115.31 119.95 3f9s h LEU 138 Ca 0.27 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3f9s h LEU 138 Cb 0.18 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3f9s h LEU 138 CO -0.03 0.55 0.09 0.03 0.09 0.00 0.00 178.44 179.17 3f9s h ARG 139 N 0.48 0.36 0.00 1.13 2.47 -0.83 -2.35 114.38 115.63 3f9s h ARG 139 Ca 0.10 -0.07 -0.06 0.00 -1.26 0.00 0.00 59.98 58.69 3f9s h ARG 139 Cb 0.33 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 3f9s h ARG 139 CO 0.01 0.41 -0.31 1.96 0.56 0.00 0.00 179.97 182.61 3f9s h GLN 140 N 0.22 0.00 0.61 0.04 4.20 -1.05 -3.24 115.11 115.90 3f9s h GLN 140 Ca 0.08 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 3f9s h GLN 140 Cb 0.19 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.98 3f9s h GLN 140 CO -0.01 0.31 -0.29 0.00 -0.67 0.00 0.00 178.83 178.17 3f9s h ALA 141 N 1.69 -0.81 0.00 3.87 0.00 -1.00 -3.51 119.26 119.50 3f9s h ALA 141 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3f9s h ALA 141 Cb 0.57 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3f9s h ALA 141 CO 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 179.25 178.47