#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f5o s SER 3 N 0.00 6.73 0.24 8.00 1.04 -1.26 -4.97 113.70 123.48 3f5o s SER 3 Ca 0.00 1.35 -0.06 0.00 0.48 0.00 0.00 55.95 57.72 3f5o s SER 3 Cb 0.00 -2.41 0.30 0.00 0.10 0.00 0.00 66.02 64.01 3f5o s SER 3 CO 0.00 -0.32 1.86 -0.03 0.98 0.00 0.00 173.24 175.73 3f5o h MET 4 N 1.82 0.95 -0.16 4.02 -1.53 -1.99 -1.48 114.93 116.57 3f5o h MET 4 Ca -0.48 -0.06 -0.00 0.00 -3.44 0.00 0.00 59.70 55.72 3f5o h MET 4 Cb 1.18 -0.21 -0.01 0.00 -0.55 0.00 0.00 31.60 32.01 3f5o h MET 4 CO 0.64 0.63 0.09 1.15 0.14 0.00 0.00 176.91 179.56 3f5o h THR 5 N 0.98 1.09 -0.72 -0.77 2.02 -1.94 0.15 112.91 113.73 3f5o h THR 5 Ca 0.36 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 3f5o h THR 5 Cb 0.12 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 3f5o h THR 5 CO -0.15 0.09 0.42 -0.61 0.37 0.00 0.00 175.52 175.63 3f5o h GLN 6 N 0.17 0.99 -0.37 6.66 5.75 -1.92 0.25 115.11 126.64 3f5o h GLN 6 Ca 0.06 -0.10 -0.04 0.00 -0.15 0.00 0.00 58.65 58.42 3f5o h GLN 6 Cb 0.06 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 3f5o h GLN 6 CO -0.01 0.72 0.09 0.77 -2.65 0.00 0.00 178.83 177.76 3f5o h SER 7 N 0.99 0.56 -0.61 -0.69 0.02 -1.07 -2.07 113.55 110.68 3f5o h SER 7 Ca 0.26 -0.23 -0.09 0.00 -0.84 0.00 0.00 61.79 60.89 3f5o h SER 7 Cb 0.00 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 3f5o h SER 7 CO -0.04 0.64 0.04 0.25 -1.14 0.00 0.00 176.83 176.57 3f5o h LEU 8 N 0.45 1.03 -0.83 5.07 5.85 -0.57 -2.26 115.31 124.04 3f5o h LEU 8 Ca 0.12 -0.29 0.15 0.00 0.84 0.00 0.00 57.88 58.69 3f5o h LEU 8 Cb 0.30 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 40.96 3f5o h LEU 8 CO 0.00 1.06 0.41 -0.09 -0.34 0.00 0.00 178.44 179.49 3f5o h ARG 9 N 0.96 0.57 -0.39 1.25 2.43 -0.68 0.27 114.38 118.79 3f5o h ARG 9 Ca 0.18 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 3f5o h ARG 9 Cb 0.52 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3f5o h ARG 9 CO 0.02 0.38 0.02 0.93 -1.51 0.00 0.00 179.97 179.81 3f5o h GLU 10 N 0.59 0.67 -0.13 0.20 5.08 -1.02 -0.94 114.58 119.02 3f5o h GLU 10 Ca 0.46 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 3f5o h GLU 10 Cb 0.65 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 3f5o h GLU 10 CO -0.37 0.75 0.01 0.28 -1.00 0.00 0.00 179.01 178.68 3f5o h VAL 11 N 0.50 1.24 -0.21 3.13 2.07 -0.68 0.54 116.25 122.85 3f5o h VAL 11 Ca 0.11 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.91 3f5o h VAL 11 Cb 0.43 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 3f5o h VAL 11 CO 0.02 0.22 -0.06 0.40 0.02 0.00 0.00 177.57 178.17 3f5o h ILE 12 N -0.02 0.78 -0.50 4.57 2.04 -0.48 -0.58 117.51 123.32 3f5o h ILE 12 Ca 0.04 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 3f5o h ILE 12 Cb 0.33 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3f5o h ILE 12 CO 0.00 0.00 0.16 0.50 0.00 0.00 0.00 178.15 178.82 3f5o h LYS 13 N -0.01 0.74 -0.22 2.37 3.64 -1.05 -2.71 116.57 119.32 3f5o h LYS 13 Ca 0.10 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 3f5o h LYS 13 Cb 0.16 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3f5o h LYS 13 CO -0.22 0.64 0.00 0.00 -2.27 0.00 0.00 179.45 177.60 3f5o h ALA 14 N 1.46 0.30 -0.75 5.00 0.00 -0.19 -3.01 119.26 122.08 3f5o h ALA 14 Ca 0.17 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3f5o h ALA 14 Cb 0.20 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3f5o h ALA 14 CO -0.01 0.02 0.43 0.52 0.00 0.00 0.00 179.25 180.22 3f5o h MET 15 N 0.16 0.77 0.00 0.00 2.86 -0.93 -2.29 114.93 115.49 3f5o h MET 15 Ca 0.06 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3f5o h MET 15 Cb 0.40 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.88 3f5o h MET 15 CO 0.01 0.51 0.00 0.25 1.06 0.00 0.00 176.91 178.74 3f5o n THR 16 N -4.73 0.81 0.27 2.22 -2.24 -1.04 -2.77 114.28 106.80 3f5o n THR 16 Ca 0.10 0.19 0.15 0.00 -2.27 0.00 0.00 64.05 62.22 3f5o n THR 16 Cb 0.19 -0.95 0.69 0.00 -2.10 0.00 0.00 70.33 68.15 3f5o n THR 16 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3f5o h LYS 17 N 0.00 0.00 -7.36 -0.78 1.57 -1.28 -3.39 116.57 105.34 3f5o h LYS 17 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 3f5o h LYS 17 Cb 0.33 0.00 0.11 0.00 0.08 0.00 0.00 32.23 32.75 3f5o h LYS 17 CO 0.00 0.09 0.34 0.00 -0.57 0.00 0.00 179.45 179.31 3f5o s ALA 18 N -3.82 2.35 -1.27 3.86 0.00 -1.11 -4.94 121.76 116.83 3f5o s ALA 18 Ca -0.00 0.01 0.30 0.00 0.00 0.00 0.00 51.96 52.26 3f5o s ALA 18 Cb 0.11 -3.17 1.36 0.00 0.00 0.00 0.00 23.12 21.42 3f5o s ALA 18 CO 0.56 -1.59 1.97 0.54 0.00 0.00 0.00 175.76 177.25 3f5o n ARG 19 N -3.37 0.27 -0.53 0.00 1.74 -1.26 -4.29 116.66 109.21 3f5o n ARG 19 Ca 0.08 -0.02 -0.10 0.00 -0.77 0.00 0.00 57.85 57.04 3f5o n ARG 19 Cb 0.54 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.56 3f5o n ARG 19 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3f5o n ASN 20 N -1.35 -0.48 0.29 0.55 0.23 -1.26 -4.90 115.26 108.34 3f5o n ASN 20 Ca 0.11 -1.00 0.18 0.00 -0.53 0.00 0.00 54.58 53.34 3f5o n ASN 20 Cb 0.28 -0.34 0.85 0.00 -2.08 0.00 0.00 39.78 38.49 3f5o n ASN 20 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 3f5o h PHE 21 N -1.50 0.00 0.00 -2.53 3.57 -1.97 -2.45 116.94 112.06 3f5o h PHE 21 Ca -0.14 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.36 3f5o h PHE 21 Cb 0.41 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 3f5o h PHE 21 CO 0.00 0.04 -0.00 0.93 -2.23 0.00 0.00 178.31 177.05 3f5o h GLU 22 N 0.00 0.00 -0.64 1.11 4.39 -1.89 -1.64 114.58 115.91 3f5o h GLU 22 Ca -0.00 0.00 0.18 0.00 0.34 0.00 0.00 59.36 59.88 3f5o h GLU 22 Cb 0.33 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 3f5o h GLU 22 CO 0.00 0.00 0.46 0.07 -1.16 0.00 0.00 179.01 178.38 3f5o h ARG 23 N 0.00 0.04 0.00 2.33 0.11 -1.62 -2.99 114.38 112.25 3f5o h ARG 23 Ca -0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3f5o h ARG 23 Cb 0.00 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.07 3f5o h ARG 23 CO 0.00 0.03 0.00 1.33 0.10 0.00 0.00 179.97 181.43 3f5o n VAL 24 N -4.36 1.05 -0.53 0.08 0.24 -0.62 -1.46 118.33 112.74 3f5o n VAL 24 Ca 0.12 0.31 0.10 0.00 -2.04 0.00 0.00 64.34 62.83 3f5o n VAL 24 Cb 0.69 -1.17 0.33 0.00 -1.47 0.00 0.00 33.84 32.22 3f5o n VAL 24 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3f5o n LEU 25 N -1.82 4.38 -0.11 1.34 4.77 -1.13 -4.67 117.00 119.76 3f5o n LEU 25 Ca 0.02 -2.29 0.26 0.00 -0.03 0.00 0.00 56.01 53.97 3f5o n LEU 25 Cb 0.16 -0.53 0.72 0.00 -2.33 0.00 0.00 43.42 41.44 3f5o n LEU 25 CO 0.14 0.86 1.24 1.23 -1.33 0.00 0.00 177.39 179.53 3f5o h GLY 26 N 3.97 0.00 0.61 -0.72 0.00 -1.45 -1.28 103.07 104.20 3f5o h GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3f5o h GLY 26 CO 0.14 0.00 -0.15 0.28 0.00 0.00 0.00 176.54 176.82 3f5o n LYS 27 N -4.08 0.80 -2.20 4.80 4.76 -1.26 -4.93 118.16 116.05 3f5o n LYS 27 Ca 0.16 -0.36 -0.34 0.00 -2.87 0.00 0.00 58.31 54.90 3f5o n LYS 27 Cb 0.89 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.59 3f5o n LYS 27 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3f5o s ILE 28 N -2.44 3.59 0.15 -0.18 -4.36 -0.49 -4.68 121.20 112.79 3f5o s ILE 28 Ca 0.28 0.87 0.11 0.00 -0.26 0.00 0.00 60.65 61.65 3f5o s ILE 28 Cb 0.20 -3.34 -0.04 0.00 1.25 0.00 0.00 42.46 40.52 3f5o s ILE 28 CO 0.48 -0.33 -0.24 0.42 0.24 0.00 0.00 174.94 175.50 3f5o s THR 29 N -2.15 2.39 -0.20 8.37 -4.23 0.20 -4.98 115.64 115.04 3f5o s THR 29 Ca 0.67 -1.79 -0.13 0.00 -1.18 0.00 0.00 61.69 59.26 3f5o s THR 29 Cb -0.18 -2.09 -0.05 0.00 1.34 0.00 0.00 72.50 71.52 3f5o s THR 29 CO 0.30 0.03 0.26 -0.22 -0.54 0.00 0.00 174.62 174.45 3f5o s LEU 30 N -2.26 4.18 -0.22 4.79 2.96 -1.26 -0.89 118.68 125.99 3f5o s LEU 30 Ca 0.17 0.36 -0.19 0.00 -0.22 0.00 0.00 54.13 54.24 3f5o s LEU 30 Cb -0.09 -2.29 -0.17 0.00 0.50 0.00 0.00 46.19 44.13 3f5o s LEU 30 CO 0.08 0.06 0.07 0.52 -1.32 0.00 0.00 176.35 175.76 3f5o n VAL 31 N 3.95 1.53 -3.62 1.68 0.31 0.32 -4.95 118.33 117.55 3f5o n VAL 31 Ca -0.12 -0.08 -0.15 0.00 -0.01 0.00 0.00 64.34 63.97 3f5o n VAL 31 Cb 0.52 -2.03 -0.07 0.00 -0.91 0.00 0.00 33.84 31.34 3f5o n VAL 31 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3f5o s SER 32 N -6.91 -0.60 -0.06 4.52 1.04 -1.03 -5.00 113.70 105.66 3f5o s SER 32 Ca -0.30 0.93 0.05 0.00 0.48 0.00 0.00 55.95 57.10 3f5o s SER 32 Cb 0.07 0.90 -0.00 0.00 0.10 0.00 0.00 66.02 67.09 3f5o s SER 32 CO 0.55 -0.38 -0.21 0.00 0.98 0.00 0.00 173.24 174.17 3f5o s ALA 33 N -0.40 1.91 0.16 5.32 0.00 -1.26 -1.07 121.76 126.41 3f5o s ALA 33 Ca -0.05 -0.88 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 3f5o s ALA 33 Cb -0.03 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 3f5o s ALA 33 CO 0.04 0.32 0.17 0.00 0.00 0.00 0.00 175.76 176.29 3f5o s ALA 34 N 0.09 0.58 -0.13 0.00 0.00 -0.05 -4.10 121.76 118.14 3f5o s ALA 34 Ca -0.08 -1.29 -0.35 0.00 0.00 0.00 0.00 51.96 50.23 3f5o s ALA 34 Cb -0.14 0.97 -0.12 0.00 0.00 0.00 0.00 23.12 23.83 3f5o s ALA 34 CO 0.05 -0.58 1.88 -2.30 0.00 0.00 0.00 175.76 174.80 3f5o n PRO 35 N -0.18 2.01 -1.88 0.00 -0.02 -1.26 -1.83 135.00 131.84 3f5o n PRO 35 Ca -0.04 0.73 -0.21 0.00 -2.02 0.00 0.00 63.50 61.96 3f5o n PRO 35 Cb 0.64 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 3f5o n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f5o n GLY 36 N 4.45 1.10 3.14 -1.23 0.00 0.25 -4.96 105.19 107.94 3f5o n GLY 36 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 3f5o n GLY 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f5o s LYS 37 N -4.21 0.26 -0.02 1.61 2.20 -0.76 -0.86 119.74 117.96 3f5o s LYS 37 Ca 0.00 0.78 0.03 0.00 -0.36 0.00 0.00 55.97 56.42 3f5o s LYS 37 Cb 0.00 0.03 -0.00 0.00 -1.51 0.00 0.00 37.83 36.35 3f5o s LYS 37 CO 0.00 -0.22 -0.11 0.08 -0.36 0.00 0.00 175.35 174.74 3f5o s VAL 38 N 1.95 0.90 -0.12 4.02 1.01 -0.48 -0.87 120.40 126.81 3f5o s VAL 38 Ca -0.05 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3f5o s VAL 38 Cb -0.11 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.51 3f5o s VAL 38 CO -0.11 0.27 -0.15 -0.63 0.00 0.00 0.00 175.10 174.49 3f5o s ILE 39 N -0.01 1.49 0.30 2.22 1.01 -0.23 -0.68 121.20 125.30 3f5o s ILE 39 Ca -0.00 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 60.11 3f5o s ILE 39 Cb -0.07 -1.38 -0.06 0.00 0.01 0.00 0.00 42.46 40.96 3f5o s ILE 39 CO 0.00 0.44 -0.08 0.00 0.00 0.00 0.00 174.94 175.31 3f5o s GLU 41 N -3.68 0.90 -0.24 0.00 2.02 -0.06 -0.24 118.70 117.40 3f5o s GLU 41 Ca 0.30 -1.30 -0.17 0.00 0.02 0.00 0.00 54.97 53.83 3f5o s GLU 41 Cb 0.03 -0.45 0.07 0.00 0.10 0.00 0.00 34.13 33.88 3f5o s GLU 41 CO 0.13 0.05 0.61 1.41 0.02 0.00 0.00 175.26 177.48 3f5o s MET 42 N -3.39 0.66 -0.09 1.61 1.75 -0.42 -0.63 119.30 118.79 3f5o s MET 42 Ca 0.11 0.99 -0.23 0.00 -1.25 0.00 0.00 55.69 55.31 3f5o s MET 42 Cb 0.01 0.20 -0.03 0.00 2.84 0.00 0.00 34.83 37.85 3f5o s MET 42 CO -0.01 -0.13 0.69 0.21 -0.65 0.00 0.00 175.02 175.14 3f5o s LYS 43 N 1.05 4.40 -0.33 4.11 2.20 -1.26 -0.62 119.74 129.29 3f5o s LYS 43 Ca -0.06 0.85 -0.29 0.00 -0.36 0.00 0.00 55.97 56.11 3f5o s LYS 43 Cb -0.05 -3.47 -0.00 0.00 -1.51 0.00 0.00 37.83 32.79 3f5o s LYS 43 CO -0.10 -0.00 1.45 0.08 -0.36 0.00 0.00 175.35 176.42 3f5o s VAL 44 N 1.03 3.90 0.51 4.02 1.01 0.52 -4.95 120.40 126.44 3f5o s VAL 44 Ca 0.36 0.97 0.03 0.00 0.00 0.00 0.00 61.98 63.34 3f5o s VAL 44 Cb -0.17 -4.04 -0.00 0.00 0.00 0.00 0.00 36.38 32.16 3f5o s VAL 44 CO 0.16 -0.54 0.12 -1.61 0.00 0.00 0.00 175.10 173.23 3f5o s GLU 45 N 4.70 2.20 0.27 2.72 2.02 -1.26 0.60 118.70 129.94 3f5o s GLU 45 Ca 0.63 -2.25 -0.02 0.00 0.02 0.00 0.00 54.97 53.35 3f5o s GLU 45 Cb -0.18 -1.72 0.58 0.00 0.10 0.00 0.00 34.13 32.91 3f5o s GLU 45 CO 0.29 -0.40 1.64 1.49 0.02 0.00 0.00 175.26 178.30 3f5o h GLU 46 N 1.21 0.16 0.00 1.61 4.81 -1.98 0.88 114.58 121.28 3f5o h GLU 46 Ca -0.42 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 3f5o h GLU 46 Cb 1.30 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.65 3f5o h GLU 46 CO 0.70 0.11 0.00 1.05 -0.73 0.00 0.00 179.01 180.13 3f5o h GLU 47 N 0.17 0.00 -0.01 1.92 4.11 -1.99 -1.67 114.58 117.10 3f5o h GLU 47 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.91 3f5o h GLU 47 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3f5o h GLU 47 CO -0.66 0.00 -0.64 0.72 0.07 0.00 0.00 179.01 178.51 3f5o n HIS 48 N -2.38 0.00 -3.28 2.06 8.25 0.30 -5.02 115.22 115.15 3f5o n HIS 48 Ca -0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.24 3f5o n HIS 48 Cb 0.08 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.18 3f5o n HIS 48 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3f5o s THR 49 N -2.66 4.19 0.00 1.59 -4.23 -0.63 -1.29 115.64 112.61 3f5o s THR 49 Ca 0.15 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 3f5o s THR 49 Cb 0.17 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.51 3f5o s THR 49 CO 0.67 -0.27 0.00 -0.46 -0.54 0.00 0.00 174.62 174.02 3f5o n ASN 50 N -1.83 0.00 0.25 3.99 0.23 0.11 -4.61 115.26 113.40 3f5o n ASN 50 Ca -0.00 -0.97 0.17 0.00 -0.53 0.00 0.00 54.58 53.25 3f5o n ASN 50 Cb 0.58 0.00 0.79 0.00 -2.08 0.00 0.00 39.78 39.06 3f5o n ASN 50 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3f5o h ALA 51 N -0.10 1.00 -0.51 -2.53 0.00 -2.00 -2.31 119.26 112.80 3f5o h ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3f5o h ALA 51 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3f5o h ALA 51 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.69 3f5o n ILE 52 N -2.79 1.68 -1.20 0.00 -5.35 -1.26 -4.98 119.36 105.46 3f5o n ILE 52 Ca -0.00 -1.27 -0.07 0.00 -0.27 0.00 0.00 62.75 61.14 3f5o n ILE 52 Cb 0.18 0.17 -0.03 0.00 -1.74 0.00 0.00 39.64 38.22 3f5o n ILE 52 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3f5o n GLY 53 N 0.70 0.91 3.76 3.28 0.00 -0.87 -5.04 105.19 107.94 3f5o n GLY 53 Ca 0.21 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 3f5o n GLY 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3f5o s THR 54 N -2.22 2.57 0.10 2.61 -4.23 -1.26 -2.43 115.64 110.77 3f5o s THR 54 Ca 0.00 -1.63 -0.35 0.00 -1.18 0.00 0.00 61.69 58.53 3f5o s THR 54 Cb 0.00 -2.99 -0.14 0.00 1.34 0.00 0.00 72.50 70.71 3f5o s THR 54 CO 0.00 -0.05 1.57 -0.11 -0.54 0.00 0.00 174.62 175.49 3f5o n LEU 55 N -1.27 2.78 -4.73 4.79 7.94 0.11 -0.72 117.00 125.90 3f5o n LEU 55 Ca -0.01 1.08 -0.41 0.00 -1.11 0.00 0.00 56.01 55.56 3f5o n LEU 55 Cb 0.63 -1.36 -0.03 0.00 0.53 0.00 0.00 43.42 43.19 3f5o n LEU 55 CO 0.44 -0.44 0.94 -2.28 -1.11 0.00 0.00 177.39 174.94 3f5o s HIS 56 N 1.29 3.36 0.44 1.96 5.65 -0.41 -4.70 115.29 122.88 3f5o s HIS 56 Ca 0.82 1.28 0.18 0.00 0.25 0.00 0.00 55.06 57.59 3f5o s HIS 56 Cb -0.76 -3.51 1.12 0.00 -1.18 0.00 0.00 32.58 28.25 3f5o s HIS 56 CO 0.43 -1.57 1.91 0.78 -0.65 0.00 0.00 174.74 175.64 3f5o h GLY 57 N 5.81 0.62 1.36 1.59 0.00 -1.91 -0.89 103.07 109.66 3f5o h GLY 57 Ca -0.44 -0.15 -0.13 0.00 0.00 0.00 0.00 47.33 46.61 3f5o h GLY 57 CO 0.78 0.04 -0.32 -1.33 0.00 0.00 0.00 176.54 175.71 3f5o h GLY 58 N 0.35 0.78 1.29 4.60 0.00 -1.98 -1.64 103.07 106.48 3f5o h GLY 58 Ca 0.38 -0.73 -0.18 0.00 0.00 0.00 0.00 47.33 46.80 3f5o h GLY 58 CO -0.11 0.66 -0.56 -2.00 0.00 0.00 0.00 176.54 174.53 3f5o h LEU 59 N 0.61 0.83 -0.57 3.11 5.85 -1.56 -0.66 115.31 122.92 3f5o h LEU 59 Ca 0.07 -0.45 0.06 0.00 0.84 0.00 0.00 57.88 58.40 3f5o h LEU 59 Cb 0.84 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 3f5o h LEU 59 CO 0.07 1.22 0.28 0.74 -0.34 0.00 0.00 178.44 180.41 3f5o h THR 60 N 0.57 0.92 -0.63 1.05 2.02 -1.12 0.18 112.91 115.91 3f5o h THR 60 Ca 0.01 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 3f5o h THR 60 Cb 1.14 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 3f5o h THR 60 CO 0.12 0.10 0.31 0.00 0.37 0.00 0.00 175.52 176.41 3f5o h ALA 61 N 1.32 0.81 -0.87 6.16 0.00 -1.10 -1.21 119.26 124.37 3f5o h ALA 61 Ca 0.26 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3f5o h ALA 61 Cb 0.19 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3f5o h ALA 61 CO -0.19 0.37 0.57 1.15 0.00 0.00 0.00 179.25 181.15 3f5o h THR 62 N 0.87 1.20 -0.21 0.00 2.02 -0.36 0.03 112.91 116.45 3f5o h THR 62 Ca 0.22 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 3f5o h THR 62 Cb 0.10 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.44 3f5o h THR 62 CO -0.03 0.21 0.13 -0.07 0.37 0.00 0.00 175.52 176.13 3f5o h LEU 63 N 1.15 0.26 -0.27 2.58 3.38 -0.20 0.10 115.31 122.31 3f5o h LEU 63 Ca 0.33 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.29 3f5o h LEU 63 Cb -0.09 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3f5o h LEU 63 CO -0.09 0.24 -0.00 0.58 0.09 0.00 0.00 178.44 179.26 3f5o h VAL 64 N 0.26 0.81 0.25 1.22 2.07 -0.92 -0.59 116.25 119.35 3f5o h VAL 64 Ca 0.08 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 3f5o h VAL 64 Cb 0.03 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3f5o h VAL 64 CO -0.01 0.01 -0.12 -0.78 0.02 0.00 0.00 177.57 176.69 3f5o h ASP 65 N 0.08 -0.28 -0.12 0.57 1.82 -0.75 -2.18 116.42 115.56 3f5o h ASP 65 Ca 0.13 -0.01 -0.11 0.00 -0.39 0.00 0.00 57.03 56.65 3f5o h ASP 65 Cb 0.17 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.25 3f5o h ASP 65 CO -0.21 -0.18 -0.36 0.78 -1.61 0.00 0.00 179.24 177.66 3f5o h ASN 66 N -0.36 0.53 0.39 2.28 -0.26 -0.89 -2.54 115.58 114.74 3f5o h ASN 66 Ca -0.03 -0.60 -0.18 0.00 -0.56 0.00 0.00 56.30 54.93 3f5o h ASN 66 Cb 0.27 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 3f5o h ASN 66 CO 0.06 1.03 -0.76 0.40 -1.06 0.00 0.00 177.43 177.10 3f5o h ILE 67 N 0.05 1.42 -0.62 2.81 1.08 -1.16 0.21 117.51 121.30 3f5o h ILE 67 Ca -0.01 -2.27 -0.06 0.00 -0.39 0.00 0.00 64.86 62.14 3f5o h ILE 67 Cb 0.98 2.21 -0.03 0.00 -3.07 0.00 0.00 36.82 36.91 3f5o h ILE 67 CO 0.08 0.67 0.16 0.77 -0.69 0.00 0.00 178.15 179.14 3f5o h SER 68 N 0.19 0.90 -0.77 1.72 4.64 -1.46 -1.69 113.55 117.08 3f5o h SER 68 Ca -0.03 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 3f5o h SER 68 Cb 1.33 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 63.15 3f5o h SER 68 CO 0.12 0.86 0.38 0.74 -0.87 0.00 0.00 176.83 178.07 3f5o h THR 69 N 0.92 1.24 -0.99 2.95 2.02 -0.91 -1.67 112.91 116.47 3f5o h THR 69 Ca 0.20 -0.66 0.01 0.00 0.77 0.00 0.00 66.41 66.73 3f5o h THR 69 Cb 0.31 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 66.94 3f5o h THR 69 CO -0.00 0.28 0.65 0.24 0.37 0.00 0.00 175.52 177.06 3f5o h MET 70 N 1.08 1.28 -0.39 6.66 2.07 -0.61 -1.64 114.93 123.37 3f5o h MET 70 Ca 0.26 -0.08 -0.06 0.00 -2.07 0.00 0.00 59.70 57.76 3f5o h MET 70 Cb 0.10 -0.29 -0.02 0.00 -1.87 0.00 0.00 31.60 29.52 3f5o h MET 70 CO -0.04 0.85 -0.02 0.00 1.07 0.00 0.00 176.91 178.78 3f5o h ALA 71 N 1.37 1.24 -0.24 6.32 0.00 -0.64 -2.13 119.26 125.18 3f5o h ALA 71 Ca 0.37 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3f5o h ALA 71 Cb -0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3f5o h ALA 71 CO -0.09 0.50 0.01 -0.07 0.00 0.00 0.00 179.25 179.61 3f5o h LEU 72 N 0.60 0.32 -1.45 0.00 4.07 -0.44 -2.41 115.31 115.99 3f5o h LEU 72 Ca 0.12 -0.04 -0.06 0.00 0.08 0.00 0.00 57.88 57.98 3f5o h LEU 72 Cb 0.40 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 3f5o h LEU 72 CO 0.02 0.37 -0.27 -0.07 -1.08 0.00 0.00 178.44 177.41 3f5o h LEU 73 N 0.34 0.00 -4.30 1.67 3.38 -0.68 -3.23 115.31 112.49 3f5o h LEU 73 Ca 0.08 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.65 3f5o h LEU 73 Cb 0.22 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.82 3f5o h LEU 73 CO 0.00 0.27 0.20 0.00 0.09 0.00 0.00 178.44 179.00 3f5o s THR 75 N -1.44 0.45 0.24 0.00 -4.23 -1.22 -0.58 115.64 108.86 3f5o s THR 75 Ca 0.58 -1.91 -0.05 0.00 -1.18 0.00 0.00 61.69 59.13 3f5o s THR 75 Cb 0.35 -1.82 0.21 0.00 1.34 0.00 0.00 72.50 72.58 3f5o s THR 75 CO -0.15 -0.72 1.81 1.05 -0.54 0.00 0.00 174.62 176.06 3f5o h GLU 76 N 2.93 0.76 -0.24 3.99 9.09 -1.90 -2.61 114.58 126.60 3f5o h GLU 76 Ca -0.35 -0.05 -0.16 0.00 0.05 0.00 0.00 59.36 58.86 3f5o h GLU 76 Cb 1.18 -0.17 0.00 0.00 -1.65 0.00 0.00 28.75 28.11 3f5o h GLU 76 CO 0.63 0.50 -0.46 -0.09 0.05 0.00 0.00 179.01 179.64 3f5o h ARG 77 N 0.78 0.73 -3.08 1.06 2.43 -1.93 -3.47 114.38 110.89 3f5o h ARG 77 Ca 0.39 -0.47 -0.38 0.00 -0.81 0.00 0.00 59.98 58.72 3f5o h ARG 77 Cb 0.36 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3f5o h ARG 77 CO -0.25 1.09 -0.51 0.41 -1.51 0.00 0.00 179.97 179.21 3f5o n GLY 78 N 0.40 -0.42 3.64 2.80 0.00 -0.99 -4.98 105.19 105.64 3f5o n GLY 78 Ca -0.05 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 3f5o n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f5o s ALA 79 N -3.00 3.57 0.33 4.61 0.00 -1.26 -4.78 121.76 121.23 3f5o s ALA 79 Ca 0.07 -0.58 0.12 0.00 0.00 0.00 0.00 51.96 51.57 3f5o s ALA 79 Cb -0.03 -2.77 0.55 0.00 0.00 0.00 0.00 23.12 20.87 3f5o s ALA 79 CO 0.09 -0.54 1.73 -1.00 0.00 0.00 0.00 175.76 176.03 3f5o h PRO 80 N 7.75 0.00 0.00 0.00 0.13 -1.89 -3.42 132.00 134.58 3f5o h PRO 80 Ca -0.32 -0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.02 3f5o h PRO 80 Cb 1.15 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 3f5o h PRO 80 CO 0.71 0.49 -0.28 0.41 -0.23 0.00 0.00 178.00 179.09 3f5o n GLY 81 N -0.14 -2.07 3.29 1.56 0.00 -1.26 -4.91 105.19 101.67 3f5o n GLY 81 Ca -0.02 -1.33 -0.24 0.00 0.00 0.00 0.00 46.02 44.43 3f5o n GLY 81 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f5o s VAL 82 N -1.65 1.74 0.33 1.61 -7.23 -0.50 -4.89 120.40 109.81 3f5o s VAL 82 Ca 0.00 -1.55 -0.29 0.00 -1.81 0.00 0.00 61.98 58.33 3f5o s VAL 82 Cb 0.00 -1.58 -0.10 0.00 0.56 0.00 0.00 36.38 35.26 3f5o s VAL 82 CO 0.00 -0.05 1.36 -0.44 -0.31 0.00 0.00 175.10 175.66 3f5o s SER 83 N -1.90 6.68 -0.07 4.85 0.01 -1.26 -0.22 113.70 121.79 3f5o s SER 83 Ca 0.07 2.75 -0.05 0.00 1.31 0.00 0.00 55.95 60.02 3f5o s SER 83 Cb -0.10 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 3f5o s SER 83 CO 0.04 -0.62 -0.13 0.52 0.41 0.00 0.00 173.24 173.47 3f5o n VAL 84 N 0.99 0.80 -4.03 3.43 0.31 0.05 -4.79 118.33 115.08 3f5o n VAL 84 Ca 0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.20 3f5o n VAL 84 Cb 0.41 -1.71 -0.14 0.00 -0.91 0.00 0.00 33.84 31.49 3f5o n VAL 84 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3f5o s ASP 85 N -5.92 0.37 -0.00 4.52 1.01 -1.06 -5.01 116.67 110.58 3f5o s ASP 85 Ca -0.13 -0.05 0.00 0.00 0.71 0.00 0.00 52.55 53.08 3f5o s ASP 85 Cb 0.04 -0.06 -0.00 0.00 1.01 0.00 0.00 42.92 43.91 3f5o s ASP 85 CO 0.17 0.03 -0.02 -0.32 0.21 0.00 0.00 175.17 175.24 3f5o s MET 86 N 0.02 0.13 0.08 8.23 -2.45 -1.26 -0.69 119.30 123.37 3f5o s MET 86 Ca 0.00 -0.08 0.03 0.00 -1.25 0.00 0.00 55.69 54.39 3f5o s MET 86 Cb -0.02 -0.11 -0.03 0.00 1.25 0.00 0.00 34.83 35.91 3f5o s MET 86 CO -0.00 0.03 -0.09 0.54 1.05 0.00 0.00 175.02 176.55 3f5o s ASN 87 N -0.09 1.26 -0.10 1.11 2.20 -0.48 -4.99 114.94 113.83 3f5o s ASN 87 Ca -0.00 -0.77 -0.08 0.00 -0.94 0.00 0.00 52.86 51.07 3f5o s ASN 87 Cb -0.01 0.03 0.03 0.00 -2.00 0.00 0.00 41.25 39.30 3f5o s ASN 87 CO -0.00 -0.28 0.26 -0.63 -2.94 0.00 0.00 177.10 173.51 3f5o s ILE 88 N -2.34 -0.01 -0.10 0.54 1.01 -1.26 -1.57 121.20 117.46 3f5o s ILE 88 Ca 0.02 0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.76 3f5o s ILE 88 Cb -0.03 -0.38 -0.01 0.00 0.01 0.00 0.00 42.46 42.04 3f5o s ILE 88 CO -0.01 0.02 -0.20 -0.89 0.00 0.00 0.00 174.94 173.86 3f5o s THR 89 N 0.57 2.42 -0.31 2.92 2.01 0.14 -4.99 115.64 118.42 3f5o s THR 89 Ca -0.04 -0.90 -0.06 0.00 0.31 0.00 0.00 61.69 61.00 3f5o s THR 89 Cb -0.05 -1.95 0.02 0.00 0.01 0.00 0.00 72.50 70.54 3f5o s THR 89 CO -0.03 0.55 0.07 -0.31 -0.69 0.00 0.00 174.62 174.21 3f5o s TYR 90 N 0.16 3.19 -0.15 4.92 1.51 -1.26 -1.54 117.35 124.18 3f5o s TYR 90 Ca -0.11 -1.25 0.13 0.00 -1.01 0.00 0.00 57.07 54.83 3f5o s TYR 90 Cb -0.16 -2.24 -0.18 0.00 -0.11 0.00 0.00 41.96 39.27 3f5o s TYR 90 CO 0.06 -0.66 0.05 -1.33 -1.11 0.00 0.00 175.55 172.56 3f5o n MET 91 N 4.82 1.55 -3.75 -0.62 2.81 -0.09 -5.01 117.12 116.83 3f5o n MET 91 Ca -0.14 -0.01 -0.13 0.00 -1.81 0.00 0.00 57.70 55.61 3f5o n MET 91 Cb 0.46 -1.38 -0.09 0.00 -0.71 0.00 0.00 33.22 31.51 3f5o n MET 91 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 3f5o s SER 92 N -4.84 -0.22 0.44 7.83 0.01 -1.06 -5.00 113.70 110.85 3f5o s SER 92 Ca -0.08 0.15 -0.22 0.00 1.31 0.00 0.00 55.95 57.11 3f5o s SER 92 Cb 0.04 0.35 -0.09 0.00 0.21 0.00 0.00 66.02 66.54 3f5o s SER 92 CO 0.61 -0.43 1.06 -2.84 0.41 0.00 0.00 173.24 172.05 3f5o s PRO 93 N -1.21 3.97 -0.36 12.44 0.02 -1.26 -4.58 135.00 144.01 3f5o s PRO 93 Ca -0.12 1.49 -0.09 0.00 0.02 0.00 0.00 61.00 62.30 3f5o s PRO 93 Cb -0.05 -2.35 0.03 0.00 0.02 0.00 0.00 34.50 32.16 3f5o s PRO 93 CO 0.04 -0.31 0.16 0.00 -0.33 0.00 0.00 177.00 176.56 3f5o s ALA 94 N -1.76 3.17 0.39 -1.55 0.00 -1.26 -4.99 121.76 115.76 3f5o s ALA 94 Ca 0.62 -1.74 -0.14 0.00 0.00 0.00 0.00 51.96 50.70 3f5o s ALA 94 Cb -0.21 -2.45 -0.08 0.00 0.00 0.00 0.00 23.12 20.39 3f5o s ALA 94 CO 0.26 -1.37 0.80 0.15 0.00 0.00 0.00 175.76 175.59 3f5o s LYS 95 N 1.48 3.91 0.05 0.00 1.02 -1.26 0.09 119.74 125.03 3f5o s LYS 95 Ca 0.00 0.65 -0.38 0.00 0.02 0.00 0.00 55.97 56.26 3f5o s LYS 95 Cb -0.19 -2.35 -0.18 0.00 -0.52 0.00 0.00 37.83 34.58 3f5o s LYS 95 CO 0.05 -0.00 1.26 -0.11 -0.92 0.00 0.00 175.35 175.62 3f5o n LEU 96 N -0.98 1.12 0.00 3.17 0.00 -1.02 -1.19 117.00 118.10 3f5o n LEU 96 Ca 0.04 1.13 0.00 0.00 0.00 0.00 0.00 56.01 57.18 3f5o n LEU 96 Cb 0.54 -1.10 0.00 0.00 0.00 0.00 0.00 43.42 42.85 3f5o n LEU 96 CO 0.45 -1.31 0.00 0.61 0.00 0.00 0.00 177.39 177.13 3f5o n GLY 97 N 2.22 1.76 3.80 -3.96 0.00 0.20 -5.01 105.19 104.20 3f5o n GLY 97 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 3f5o n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f5o s GLU 98 N -0.68 4.31 -0.12 1.61 2.02 -0.34 -4.72 118.70 120.78 3f5o s GLU 98 Ca 0.00 1.30 -0.13 0.00 0.02 0.00 0.00 54.97 56.15 3f5o s GLU 98 Cb 0.00 -2.47 -0.05 0.00 0.10 0.00 0.00 34.13 31.71 3f5o s GLU 98 CO 0.00 0.03 0.30 -0.51 0.02 0.00 0.00 175.26 175.09 3f5o s ASP 99 N -1.83 6.52 0.10 -0.19 1.11 -1.26 -0.36 116.67 120.76 3f5o s ASP 99 Ca 0.57 0.61 0.10 0.00 0.18 0.00 0.00 52.55 54.01 3f5o s ASP 99 Cb -0.16 -2.18 -0.04 0.00 1.07 0.00 0.00 42.92 41.61 3f5o s ASP 99 CO 0.20 0.20 -0.25 0.27 1.18 0.00 0.00 175.17 176.77 3f5o s ILE 100 N -0.12 2.06 -0.12 0.77 -4.36 0.21 -0.95 121.20 118.70 3f5o s ILE 100 Ca 0.18 -1.60 -0.01 0.00 -0.26 0.00 0.00 60.65 58.96 3f5o s ILE 100 Cb -0.14 -1.82 -0.03 0.00 1.25 0.00 0.00 42.46 41.73 3f5o s ILE 100 CO 0.06 0.11 -0.06 -0.69 0.24 0.00 0.00 174.94 174.60 3f5o s VAL 101 N -1.02 3.69 -0.26 8.37 1.01 0.15 -1.30 120.40 131.04 3f5o s VAL 101 Ca 0.11 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 3f5o s VAL 101 Cb -0.10 -2.56 0.04 0.00 0.00 0.00 0.00 36.38 33.75 3f5o s VAL 101 CO 0.05 0.54 -0.05 -0.63 0.00 0.00 0.00 175.10 175.01 3f5o s ILE 102 N -0.12 2.80 -0.22 2.22 1.09 0.67 -1.10 121.20 126.54 3f5o s ILE 102 Ca 0.01 -1.21 -0.01 0.00 -1.10 0.00 0.00 60.65 58.35 3f5o s ILE 102 Cb -0.13 -2.50 0.02 0.00 -1.06 0.00 0.00 42.46 38.79 3f5o s ILE 102 CO 0.03 0.09 -0.11 -0.89 -0.10 0.00 0.00 174.94 173.95 3f5o s THR 103 N 1.28 2.62 -0.08 2.92 2.01 -0.15 -0.58 115.64 123.65 3f5o s THR 103 Ca -0.02 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.06 3f5o s THR 103 Cb -0.18 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 3f5o s THR 103 CO -0.04 0.36 -0.10 0.00 -0.69 0.00 0.00 174.62 174.15 3f5o s ALA 104 N 1.33 2.81 -0.03 7.40 0.00 0.15 -1.09 121.76 132.31 3f5o s ALA 104 Ca 0.02 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.12 3f5o s ALA 104 Cb -0.15 -1.17 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 3f5o s ALA 104 CO -0.07 0.46 -0.18 -1.01 0.00 0.00 0.00 175.76 174.96 3f5o s HIS 105 N -0.42 1.74 -0.19 0.00 3.76 0.01 -1.39 115.29 118.80 3f5o s HIS 105 Ca 0.06 -0.44 -0.24 0.00 -0.15 0.00 0.00 55.06 54.28 3f5o s HIS 105 Cb -0.12 -1.15 -0.01 0.00 1.11 0.00 0.00 32.58 32.40 3f5o s HIS 105 CO 0.02 -0.12 0.80 0.08 -0.85 0.00 0.00 174.74 174.67 3f5o s VAL 106 N -0.14 4.89 -0.08 -0.90 1.01 -0.04 -0.92 120.40 124.22 3f5o s VAL 106 Ca 0.00 1.55 -0.05 0.00 0.00 0.00 0.00 61.98 63.48 3f5o s VAL 106 Cb -0.10 -4.10 -0.27 0.00 0.00 0.00 0.00 36.38 31.91 3f5o s VAL 106 CO 0.01 0.02 0.52 -0.07 0.00 0.00 0.00 175.10 175.59 3f5o h LEU 107 N 8.49 0.41 -7.00 3.92 3.38 -0.46 -3.48 115.31 120.56 3f5o h LEU 107 Ca -0.28 -0.79 -0.01 0.00 0.09 0.00 0.00 57.88 56.88 3f5o h LEU 107 Cb 1.12 -0.13 -0.22 0.00 0.09 0.00 0.00 40.66 41.52 3f5o h LEU 107 CO 0.83 1.70 0.16 -0.75 0.09 0.00 0.00 178.44 180.47 3f5o s LYS 108 N -2.57 0.76 -0.11 1.13 2.47 -1.13 -5.00 119.74 115.29 3f5o s LYS 108 Ca -0.17 0.98 0.04 0.00 -1.56 0.00 0.00 55.97 55.26 3f5o s LYS 108 Cb 0.06 0.33 0.00 0.00 -1.46 0.00 0.00 37.83 36.77 3f5o s LYS 108 CO 0.80 -0.10 -0.23 1.14 0.16 0.00 0.00 175.35 177.12 3f5o s GLN 109 N 0.62 3.05 0.00 4.03 -2.07 -1.26 -0.64 119.66 123.39 3f5o s GLN 109 Ca -0.02 -0.87 0.00 0.00 -1.82 0.00 0.00 55.36 52.65 3f5o s GLN 109 Cb -0.05 -2.34 0.00 0.00 -1.09 0.00 0.00 33.01 29.53 3f5o s GLN 109 CO -0.04 0.14 0.00 0.41 -1.32 0.00 0.00 175.29 174.48 3f5o n GLY 110 N 3.64 4.56 0.30 2.60 0.00 0.82 -5.01 105.19 112.10 3f5o n GLY 110 Ca -0.19 -2.13 -0.08 0.00 0.00 0.00 0.00 46.02 43.62 3f5o n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f5o h LYS 111 N 0.00 1.04 0.00 1.61 1.79 -2.01 -3.37 116.57 115.63 3f5o h LYS 111 Ca 0.00 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 3f5o h LYS 111 Cb 0.00 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.51 3f5o h LYS 111 CO 0.00 0.93 -0.00 0.25 -1.08 0.00 0.00 179.45 179.54 3f5o n THR 112 N -4.31 0.00 -4.38 -0.16 -2.24 -1.26 -4.49 114.28 97.44 3f5o n THR 112 Ca 0.04 -0.34 -0.20 0.00 -2.27 0.00 0.00 64.05 61.28 3f5o n THR 112 Cb 0.24 1.00 -0.14 0.00 -2.10 0.00 0.00 70.33 69.33 3f5o n THR 112 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3f5o s LEU 113 N -1.38 2.14 0.04 3.22 1.43 -1.26 0.71 118.68 123.58 3f5o s LEU 113 Ca 0.00 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.77 3f5o s LEU 113 Cb 0.00 -0.58 -0.02 0.00 0.03 0.00 0.00 46.19 45.61 3f5o s LEU 113 CO 0.00 0.05 -0.19 0.00 0.23 0.00 0.00 176.35 176.44 3f5o s ALA 114 N -0.72 1.61 -0.05 4.21 0.00 -0.25 -0.13 121.76 126.44 3f5o s ALA 114 Ca 0.02 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 51.04 3f5o s ALA 114 Cb -0.07 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 3f5o s ALA 114 CO 0.01 0.35 -0.19 -0.06 0.00 0.00 0.00 175.76 175.87 3f5o s PHE 115 N -0.79 1.89 -0.04 0.00 0.40 0.19 -1.08 117.98 118.56 3f5o s PHE 115 Ca 0.06 -0.56 -0.08 0.00 -0.60 0.00 0.00 56.93 55.75 3f5o s PHE 115 Cb -0.08 -1.27 0.01 0.00 0.51 0.00 0.00 43.02 42.19 3f5o s PHE 115 CO 0.01 -0.19 0.18 0.99 0.70 0.00 0.00 175.22 176.92 3f5o s THR 116 N 0.03 0.04 0.08 0.64 2.01 -0.69 0.33 115.64 118.08 3f5o s THR 116 Ca -0.05 -0.34 0.08 0.00 0.31 0.00 0.00 61.69 61.69 3f5o s THR 116 Cb -0.12 -0.38 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 3f5o s THR 116 CO 0.03 -0.19 -0.20 -0.55 -0.69 0.00 0.00 174.62 173.02 3f5o s SER 117 N -0.67 2.42 -0.02 3.53 0.15 -0.10 -0.97 113.70 118.04 3f5o s SER 117 Ca -0.08 -0.62 0.01 0.00 0.70 0.00 0.00 55.95 55.96 3f5o s SER 117 Cb -0.04 -0.15 0.02 0.00 -1.71 0.00 0.00 66.02 64.13 3f5o s SER 117 CO 0.01 0.08 -0.01 -0.69 1.20 0.00 0.00 173.24 173.83 3f5o s VAL 118 N -1.04 0.21 -0.12 4.45 1.01 0.20 -0.81 120.40 124.31 3f5o s VAL 118 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.07 3f5o s VAL 118 Cb -0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 3f5o s VAL 118 CO 0.03 0.13 -0.12 -1.81 0.00 0.00 0.00 175.10 173.34 3f5o s ASP 119 N 0.79 4.12 -0.17 3.32 1.11 -0.25 -0.36 116.67 125.23 3f5o s ASP 119 Ca -0.08 -0.27 -0.03 0.00 0.18 0.00 0.00 52.55 52.34 3f5o s ASP 119 Cb -0.11 -1.48 -0.02 0.00 1.07 0.00 0.00 42.92 42.37 3f5o s ASP 119 CO -0.01 0.20 -0.05 -0.76 1.18 0.00 0.00 175.17 175.73 3f5o s LEU 120 N 0.12 3.08 0.12 1.23 1.02 -0.07 -0.98 118.68 123.19 3f5o s LEU 120 Ca -0.06 -0.24 0.06 0.00 0.02 0.00 0.00 54.13 53.92 3f5o s LEU 120 Cb -0.15 -1.75 -0.04 0.00 0.02 0.00 0.00 46.19 44.28 3f5o s LEU 120 CO 0.04 0.11 -0.14 0.42 0.02 0.00 0.00 176.35 176.80 3f5o s THR 121 N 0.73 1.33 0.03 5.49 -4.23 -0.26 0.17 115.64 118.90 3f5o s THR 121 Ca -0.02 -1.69 -0.30 0.00 -1.18 0.00 0.00 61.69 58.49 3f5o s THR 121 Cb -0.15 -1.51 -0.05 0.00 1.34 0.00 0.00 72.50 72.13 3f5o s THR 121 CO 0.02 -0.40 1.29 0.21 -0.54 0.00 0.00 174.62 175.21 3f5o s ASN 122 N -2.40 6.96 0.23 3.99 3.84 -0.00 -0.68 114.94 126.89 3f5o s ASN 122 Ca 0.08 2.06 -0.06 0.00 0.21 0.00 0.00 52.86 55.15 3f5o s ASN 122 Cb -0.05 -2.57 0.22 0.00 -0.55 0.00 0.00 41.25 38.30 3f5o s ASN 122 CO 0.03 -0.60 1.80 0.50 -2.79 0.00 0.00 177.10 176.04 3f5o h LYS 123 N 7.25 1.12 -0.02 0.43 3.64 -1.36 0.22 116.57 127.84 3f5o h LYS 123 Ca -0.39 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 58.77 3f5o h LYS 123 Cb 1.19 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3f5o h LYS 123 CO 0.86 0.91 -0.05 0.00 -2.27 0.00 0.00 179.45 178.91 3f5o h ALA 124 N 1.22 0.04 0.00 5.00 0.00 -1.92 -3.37 119.26 120.23 3f5o h ALA 124 Ca 0.25 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3f5o h ALA 124 Cb 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3f5o h ALA 124 CO -0.02 -0.14 -2.00 0.25 0.00 0.00 0.00 179.25 177.35 3f5o n THR 125 N -4.74 0.43 -0.88 0.00 -2.24 -1.20 -4.98 114.28 100.67 3f5o n THR 125 Ca -0.08 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3f5o n THR 125 Cb 0.32 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 3f5o n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f5o n GLY 126 N 1.38 1.10 3.77 3.38 0.00 0.76 -5.00 105.19 110.58 3f5o n GLY 126 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 3f5o n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f5o s LYS 127 N -0.05 4.35 -0.09 1.61 -0.14 -1.26 -4.56 119.74 119.60 3f5o s LYS 127 Ca 0.00 1.97 -0.30 0.00 -1.36 0.00 0.00 55.97 56.28 3f5o s LYS 127 Cb 0.00 -2.99 -0.04 0.00 -1.68 0.00 0.00 37.83 33.12 3f5o s LYS 127 CO 0.00 -0.10 1.48 -1.17 -0.76 0.00 0.00 175.35 174.80 3f5o s LEU 128 N -1.90 4.27 -0.12 3.17 2.96 -1.26 -0.82 118.68 124.97 3f5o s LEU 128 Ca 0.50 2.02 -0.28 0.00 -0.22 0.00 0.00 54.13 56.14 3f5o s LEU 128 Cb -0.34 -3.54 -0.26 0.00 0.50 0.00 0.00 46.19 42.55 3f5o s LEU 128 CO 0.45 -0.85 0.82 0.40 -1.32 0.00 0.00 176.35 175.85 3f5o h ILE 129 N 5.49 1.75 -2.96 6.68 2.04 -0.52 -3.29 117.51 126.70 3f5o h ILE 129 Ca -0.34 -2.27 -0.00 0.00 1.00 0.00 0.00 64.86 63.25 3f5o h ILE 129 Cb 1.15 3.28 -0.11 0.00 -0.74 0.00 0.00 36.82 40.40 3f5o h ILE 129 CO 0.96 0.59 0.23 0.00 0.00 0.00 0.00 178.15 179.93 3f5o s ALA 130 N -2.40 -1.57 -0.01 1.87 0.00 -1.02 -0.91 121.76 117.73 3f5o s ALA 130 Ca -0.18 0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.21 3f5o s ALA 130 Cb -0.02 0.86 -0.00 0.00 0.00 0.00 0.00 23.12 23.96 3f5o s ALA 130 CO 0.70 -0.80 -0.05 -1.14 0.00 0.00 0.00 175.76 174.48 3f5o s GLN 131 N -3.74 0.40 0.07 0.00 0.74 -0.59 -0.89 119.66 115.65 3f5o s GLN 131 Ca 0.02 -0.16 0.00 0.00 0.05 0.00 0.00 55.36 55.28 3f5o s GLN 131 Cb -0.02 -0.39 -0.04 0.00 1.10 0.00 0.00 33.01 33.66 3f5o s GLN 131 CO -0.10 0.09 -0.05 0.20 -0.55 0.00 0.00 175.29 174.88 3f5o s GLY 132 N -0.04 0.60 0.06 2.59 0.00 0.52 -0.68 107.32 110.36 3f5o s GLY 132 Ca 0.01 -1.25 0.05 0.00 0.00 0.00 0.00 44.72 43.54 3f5o s GLY 132 CO -0.00 -1.35 -0.15 -1.60 0.00 0.00 0.00 173.10 169.99 3f5o s ARG 133 N -3.77 0.92 -0.17 2.90 3.52 -0.61 -0.63 118.95 121.12 3f5o s ARG 133 Ca 0.08 -0.90 -0.04 0.00 -0.13 0.00 0.00 55.73 54.74 3f5o s ARG 133 Cb 0.06 -0.96 0.08 0.00 -1.56 0.00 0.00 34.95 32.57 3f5o s ARG 133 CO -0.07 0.23 0.28 -1.58 -0.81 0.00 0.00 175.30 173.34 3f5o s HIS 134 N -1.07 -0.47 -0.19 5.12 5.65 -0.14 -1.39 115.29 122.80 3f5o s HIS 134 Ca 0.01 0.84 -0.08 0.00 0.25 0.00 0.00 55.06 56.08 3f5o s HIS 134 Cb -0.09 -0.07 -0.04 0.00 -1.18 0.00 0.00 32.58 31.19 3f5o s HIS 134 CO 0.02 -0.47 0.07 0.99 -0.65 0.00 0.00 174.74 174.71 3f5o s THR 135 N 2.43 4.82 0.07 0.89 2.01 0.14 -1.70 115.64 124.30 3f5o s THR 135 Ca 0.04 -0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.10 3f5o s THR 135 Cb -0.13 -3.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 3f5o s THR 135 CO -0.11 0.45 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.51 3f5o s LYS 136 N 0.47 1.38 -0.21 4.92 1.02 -0.24 -0.77 119.74 126.32 3f5o s LYS 136 Ca 0.04 -1.07 -0.13 0.00 0.02 0.00 0.00 55.97 54.83 3f5o s LYS 136 Cb -0.13 -1.59 -0.05 0.00 -0.52 0.00 0.00 37.83 35.55 3f5o s LYS 136 CO 0.01 0.39 0.26 -1.58 -0.92 0.00 0.00 175.35 173.51 3f5o s HIS 137 N -0.92 3.37 -0.13 3.18 5.65 0.69 -1.09 115.29 126.05 3f5o s HIS 137 Ca 0.08 0.44 0.18 0.00 0.25 0.00 0.00 55.06 56.02 3f5o s HIS 137 Cb -0.09 -2.36 -0.27 0.00 -1.18 0.00 0.00 32.58 28.68 3f5o s HIS 137 CO 0.03 0.10 0.21 1.28 -0.65 0.00 0.00 174.74 175.71 3f5o n LEU 138 N 4.13 0.00 0.00 8.88 4.77 0.22 -1.40 117.00 133.59 3f5o n LEU 138 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3f5o n LEU 138 Cb 0.52 0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 3f5o n LEU 138 CO 0.38 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.34