#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f5o n SER 3 N 0.00 5.10 -0.28 3.42 3.41 -1.26 -4.21 113.62 119.80 3f5o n SER 3 Ca 0.00 -3.05 0.05 0.00 -0.26 0.00 0.00 58.87 55.61 3f5o n SER 3 Cb 0.00 -0.67 0.19 0.00 -0.26 0.00 0.00 64.21 63.47 3f5o n SER 3 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 3f5o h MET 4 N 3.18 0.59 -0.29 4.33 1.85 -1.98 0.94 114.93 123.54 3f5o h MET 4 Ca 0.07 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.13 3f5o h MET 4 Cb 1.96 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 33.84 3f5o h MET 4 CO 0.50 0.39 0.19 1.15 -0.40 0.00 0.00 176.91 178.74 3f5o h THR 5 N 0.60 1.07 -0.62 -0.77 2.02 -1.84 -1.79 112.91 111.58 3f5o h THR 5 Ca 0.42 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 67.39 3f5o h THR 5 Cb 0.56 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 3f5o h THR 5 CO -0.34 0.07 0.07 -0.61 0.37 0.00 0.00 175.52 175.08 3f5o h GLN 6 N 0.39 1.04 -0.51 6.66 5.75 -1.23 -0.12 115.11 127.09 3f5o h GLN 6 Ca 0.11 -0.28 0.01 0.00 -0.15 0.00 0.00 58.65 58.33 3f5o h GLN 6 Cb -0.04 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 3f5o h GLN 6 CO -0.03 0.97 0.33 1.03 -2.65 0.00 0.00 178.83 178.48 3f5o h SER 7 N 0.97 0.56 -0.18 -0.69 0.87 0.85 -1.58 113.55 114.35 3f5o h SER 7 Ca 0.19 -0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.59 3f5o h SER 7 Cb 0.46 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 3f5o h SER 7 CO 0.02 0.40 -0.40 0.25 -0.53 0.00 0.00 176.83 176.57 3f5o h LEU 8 N 0.67 0.77 -1.19 2.23 5.85 -1.10 -1.74 115.31 120.80 3f5o h LEU 8 Ca 0.19 -0.35 0.10 0.00 0.84 0.00 0.00 57.88 58.67 3f5o h LEU 8 Cb -0.05 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.69 3f5o h LEU 8 CO -0.05 1.07 0.58 0.03 -0.34 0.00 0.00 178.44 179.73 3f5o h ARG 9 N 0.59 0.86 -0.23 1.25 3.08 -0.78 -1.52 114.38 117.62 3f5o h ARG 9 Ca 0.05 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 3f5o h ARG 9 Cb 0.94 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 3f5o h ARG 9 CO 0.09 0.57 -0.50 0.93 -1.07 0.00 0.00 179.97 179.99 3f5o h GLU 10 N 0.88 0.64 -0.46 0.04 4.39 -0.73 -1.45 114.58 117.89 3f5o h GLU 10 Ca 0.43 -0.38 0.02 0.00 0.34 0.00 0.00 59.36 59.77 3f5o h GLU 10 Cb 0.45 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 3f5o h GLU 10 CO -0.19 0.99 0.26 0.28 -1.16 0.00 0.00 179.01 179.19 3f5o h VAL 11 N 0.50 1.03 -0.64 3.13 2.07 -0.92 -1.17 116.25 120.25 3f5o h VAL 11 Ca 0.02 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 3f5o h VAL 11 Cb 1.04 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3f5o h VAL 11 CO 0.10 0.10 0.22 0.40 0.02 0.00 0.00 177.57 178.41 3f5o h ILE 12 N 0.52 1.24 -0.47 4.57 2.04 -1.08 -1.39 117.51 122.95 3f5o h ILE 12 Ca 0.19 -0.81 0.05 0.00 1.00 0.00 0.00 64.86 65.29 3f5o h ILE 12 Cb 0.03 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.64 3f5o h ILE 12 CO -0.09 0.31 0.21 0.11 0.00 0.00 0.00 178.15 178.69 3f5o h LYS 13 N 0.91 0.41 -0.97 2.37 1.57 -0.95 -2.15 116.57 117.76 3f5o h LYS 13 Ca 0.21 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.99 3f5o h LYS 13 Cb 0.26 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 3f5o h LYS 13 CO -0.01 0.27 0.64 0.00 -0.57 0.00 0.00 179.45 179.78 3f5o h ALA 14 N 1.27 1.35 -0.35 3.86 0.00 -0.82 -2.80 119.26 121.78 3f5o h ALA 14 Ca 0.21 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3f5o h ALA 14 Cb 0.16 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3f5o h ALA 14 CO -0.17 0.57 0.19 0.52 0.00 0.00 0.00 179.25 180.36 3f5o h MET 15 N 1.26 0.38 -1.01 0.00 2.86 -0.89 -1.88 114.93 115.65 3f5o h MET 15 Ca 0.38 -0.02 0.22 0.00 -2.06 0.00 0.00 59.70 58.22 3f5o h MET 15 Cb -0.05 -0.09 -0.11 0.00 0.06 0.00 0.00 31.60 31.41 3f5o h MET 15 CO -0.11 0.25 0.61 1.15 1.06 0.00 0.00 176.91 179.88 3f5o h THR 16 N 0.40 0.61 -0.01 2.22 2.02 -1.12 -2.08 112.91 114.95 3f5o h THR 16 Ca 0.14 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3f5o h THR 16 Cb 0.02 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.33 3f5o h THR 16 CO -0.08 0.12 -0.51 0.29 0.37 0.00 0.00 175.52 175.71 3f5o n LYS 17 N -4.82 0.54 -1.83 6.66 5.02 -0.96 -4.89 118.16 117.90 3f5o n LYS 17 Ca 0.25 -0.38 -0.38 0.00 -2.02 0.00 0.00 58.31 55.78 3f5o n LYS 17 Cb 0.67 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 34.24 3f5o n LYS 17 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f5o s ALA 18 N -2.72 2.65 -0.16 7.82 0.00 -0.75 -4.95 121.76 123.65 3f5o s ALA 18 Ca 0.16 1.23 0.19 0.00 0.00 0.00 0.00 51.96 53.54 3f5o s ALA 18 Cb 0.18 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.67 3f5o s ALA 18 CO 0.65 -1.38 0.90 0.00 0.00 0.00 0.00 175.76 175.93 3f5o h ARG 19 N 1.12 0.00 0.00 0.00 3.08 -1.92 -3.41 114.38 113.25 3f5o h ARG 19 Ca -0.51 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.31 3f5o h ARG 19 Cb 1.31 0.00 0.10 0.00 0.08 0.00 0.00 29.97 31.46 3f5o h ARG 19 CO 0.56 0.20 0.16 0.27 -1.07 0.00 0.00 179.97 180.09 3f5o n ASN 20 N -2.83 -0.68 0.25 7.04 0.23 -1.26 -4.91 115.26 113.09 3f5o n ASN 20 Ca -0.06 -1.09 0.11 0.00 -0.53 0.00 0.00 54.58 53.00 3f5o n ASN 20 Cb 0.75 -0.57 0.64 0.00 -2.08 0.00 0.00 39.78 38.53 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 -1.77 0.00 -0.05 -2.53 3.57 -1.99 -2.45 116.94 111.72 3f5o h PHE 21 Ca -0.24 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.28 3f5o h PHE 21 Cb 0.68 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 3f5o h PHE 21 CO 0.00 0.16 0.35 0.93 -2.23 0.00 0.00 178.31 177.52 3f5o h GLU 22 N 0.00 0.00 -0.08 1.11 4.39 -1.92 -1.90 114.58 116.17 3f5o h GLU 22 Ca -0.00 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.72 3f5o h GLU 22 Cb 0.39 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3f5o h GLU 22 CO 0.02 0.00 0.12 0.07 -1.16 0.00 0.00 179.01 178.06 3f5o h ARG 23 N 0.00 0.00 0.00 2.33 0.11 -1.49 -2.93 114.38 112.39 3f5o h ARG 23 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 3f5o h ARG 23 Cb 0.73 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.81 3f5o h ARG 23 CO -0.00 0.00 0.00 -0.39 0.10 0.00 0.00 179.97 179.68 3f5o h VAL 24 N 0.00 0.00 -0.60 0.08 -1.51 -1.59 -1.80 116.25 110.83 3f5o h VAL 24 Ca 0.04 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 3f5o h VAL 24 Cb 0.27 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.68 3f5o h VAL 24 CO -0.00 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.52 3f5o n LEU 25 N -2.49 5.33 0.24 4.19 4.77 -1.11 -4.68 117.00 123.26 3f5o n LEU 25 Ca 0.03 -2.74 0.17 0.00 -0.03 0.00 0.00 56.01 53.43 3f5o n LEU 25 Cb 0.31 -0.64 0.85 0.00 -2.33 0.00 0.00 43.42 41.61 3f5o n LEU 25 CO 0.24 0.71 0.99 1.23 -1.33 0.00 0.00 177.39 179.23 3f5o h GLY 26 N 4.00 0.00 0.01 -0.72 0.00 -1.49 -2.62 103.07 102.25 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 0.38 0.00 -0.23 0.28 0.00 0.00 0.00 176.54 176.97 3f5o n LYS 27 N -2.66 1.01 -2.23 4.80 4.76 -1.26 -4.68 118.16 117.90 3f5o n LYS 27 Ca -0.02 -0.62 -0.34 0.00 -2.87 0.00 0.00 58.31 54.46 3f5o n LYS 27 Cb 0.08 -1.49 -0.00 0.00 -1.84 0.00 0.00 35.03 31.78 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 -2.42 3.54 -0.04 -0.18 -4.36 -0.99 -4.72 121.20 112.03 3f5o s ILE 28 Ca 0.26 0.86 0.06 0.00 -0.26 0.00 0.00 60.65 61.57 3f5o s ILE 28 Cb 0.19 -3.34 -0.01 0.00 1.25 0.00 0.00 42.46 40.55 3f5o s ILE 28 CO 0.49 -0.30 -0.21 0.42 0.24 0.00 0.00 174.94 175.58 3f5o s THR 29 N -2.09 1.73 -0.06 8.37 -4.23 0.11 -4.96 115.64 114.50 3f5o s THR 29 Ca 0.68 -0.91 -0.30 0.00 -1.18 0.00 0.00 61.69 59.99 3f5o s THR 29 Cb -0.19 -1.45 -0.02 0.00 1.34 0.00 0.00 72.50 72.17 3f5o s THR 29 CO 0.29 0.49 1.04 -0.22 -0.54 0.00 0.00 174.62 175.68 3f5o s LEU 30 N -0.25 4.29 -0.26 4.79 2.96 -1.26 -0.37 118.68 128.58 3f5o s LEU 30 Ca 0.01 1.63 -0.08 0.00 -0.22 0.00 0.00 54.13 55.48 3f5o s LEU 30 Cb -0.11 -3.56 -0.15 0.00 0.50 0.00 0.00 46.19 42.87 3f5o s LEU 30 CO 0.01 -0.43 -0.22 0.52 -1.32 0.00 0.00 176.35 174.92 3f5o n VAL 31 N 4.38 1.53 -3.70 1.68 0.31 0.51 -4.93 118.33 118.11 3f5o n VAL 31 Ca 0.08 -0.45 -0.14 0.00 -0.01 0.00 0.00 64.34 63.83 3f5o n VAL 31 Cb 0.49 -1.70 -0.09 0.00 -0.91 0.00 0.00 33.84 31.63 3f5o n VAL 31 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3f5o s SER 32 N -7.04 -0.51 -0.05 4.52 0.15 -0.68 -4.99 113.70 105.10 3f5o s SER 32 Ca -0.36 0.95 0.01 0.00 0.70 0.00 0.00 55.95 57.25 3f5o s SER 32 Cb 0.11 0.97 0.02 0.00 -1.71 0.00 0.00 66.02 65.41 3f5o s SER 32 CO 0.56 -0.21 -0.04 0.00 1.20 0.00 0.00 173.24 174.74 3f5o s ALA 33 N 0.10 0.76 0.17 5.45 0.00 -1.26 -0.79 121.76 126.20 3f5o s ALA 33 Ca -0.01 -0.13 -0.08 0.00 0.00 0.00 0.00 51.96 51.74 3f5o s ALA 33 Cb -0.03 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 3f5o s ALA 33 CO 0.01 -0.11 0.27 0.00 0.00 0.00 0.00 175.76 175.93 3f5o s ALA 34 N 1.12 0.15 -0.34 0.00 0.00 -0.13 -4.69 121.76 117.87 3f5o s ALA 34 Ca -0.08 -1.00 -0.40 0.00 0.00 0.00 0.00 51.96 50.48 3f5o s ALA 34 Cb -0.14 0.92 -0.15 0.00 0.00 0.00 0.00 23.12 23.74 3f5o s ALA 34 CO -0.01 -0.64 1.88 -2.30 0.00 0.00 0.00 175.76 174.69 3f5o n PRO 35 N -0.22 0.92 -1.22 0.00 -0.02 -1.26 -1.26 135.00 131.95 3f5o n PRO 35 Ca -0.06 0.32 -0.07 0.00 -2.02 0.00 0.00 63.50 61.66 3f5o n PRO 35 Cb 0.63 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 32.01 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 5.09 0.84 3.03 -1.23 0.00 -0.34 -4.96 105.19 107.63 3f5o n GLY 36 Ca 0.33 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.35 0.18 -0.03 1.61 2.20 -0.39 -0.36 119.74 120.61 3f5o s LYS 37 Ca 0.00 0.66 0.03 0.00 -0.36 0.00 0.00 55.97 56.30 3f5o s LYS 37 Cb 0.00 -0.07 -0.00 0.00 -1.51 0.00 0.00 37.83 36.25 3f5o s LYS 37 CO 0.00 -0.23 -0.13 0.08 -0.36 0.00 0.00 175.35 174.71 3f5o s VAL 38 N 1.91 1.09 -0.12 4.02 1.01 -0.43 -0.96 120.40 126.92 3f5o s VAL 38 Ca -0.03 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.44 3f5o s VAL 38 Cb -0.11 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.33 3f5o s VAL 38 CO -0.09 0.32 -0.22 -0.63 0.00 0.00 0.00 175.10 174.49 3f5o s ILE 39 N 0.09 1.98 0.29 2.22 1.01 0.03 -0.67 121.20 126.15 3f5o s ILE 39 Ca -0.03 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 59.73 3f5o s ILE 39 Cb -0.10 -1.74 -0.06 0.00 0.01 0.00 0.00 42.46 40.58 3f5o s ILE 39 CO 0.01 0.54 -0.01 0.00 0.00 0.00 0.00 174.94 175.48 3f5o s GLU 41 N -3.79 0.64 -0.17 0.00 -1.05 0.51 -0.69 118.70 114.15 3f5o s GLU 41 Ca 0.32 -1.19 -0.19 0.00 -0.15 0.00 0.00 54.97 53.77 3f5o s GLU 41 Cb 0.06 0.08 0.05 0.00 -0.44 0.00 0.00 34.13 33.87 3f5o s GLU 41 CO 0.13 -0.08 0.51 1.41 0.95 0.00 0.00 175.26 178.18 3f5o s MET 42 N -3.62 0.64 -0.12 -4.83 1.75 -0.71 -0.71 119.30 111.70 3f5o s MET 42 Ca 0.06 0.60 -0.17 0.00 -1.25 0.00 0.00 55.69 54.92 3f5o s MET 42 Cb 0.05 0.31 -0.04 0.00 2.84 0.00 0.00 34.83 37.99 3f5o s MET 42 CO -0.08 -0.10 0.45 0.21 -0.65 0.00 0.00 175.02 174.86 3f5o s LYS 43 N 0.02 4.31 -0.35 4.11 2.20 -1.26 -0.35 119.74 128.43 3f5o s LYS 43 Ca -0.02 0.41 -0.29 0.00 -0.36 0.00 0.00 55.97 55.71 3f5o s LYS 43 Cb -0.03 -3.42 -0.00 0.00 -1.51 0.00 0.00 37.83 32.86 3f5o s LYS 43 CO 0.02 0.20 1.48 0.08 -0.36 0.00 0.00 175.35 176.76 3f5o s VAL 44 N 0.50 3.86 0.47 4.02 1.01 0.54 -4.96 120.40 125.83 3f5o s VAL 44 Ca 0.25 0.91 0.07 0.00 0.00 0.00 0.00 61.98 63.21 3f5o s VAL 44 Cb -0.15 -4.04 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 3f5o s VAL 44 CO 0.10 -0.58 0.36 -1.61 0.00 0.00 0.00 175.10 173.37 3f5o s GLU 45 N 4.84 2.36 0.28 2.72 2.02 -1.26 0.00 118.70 129.66 3f5o s GLU 45 Ca 0.64 -1.78 0.02 0.00 0.02 0.00 0.00 54.97 53.87 3f5o s GLU 45 Cb -0.17 -2.20 0.65 0.00 0.10 0.00 0.00 34.13 32.51 3f5o s GLU 45 CO 0.30 -0.35 1.75 1.49 0.02 0.00 0.00 175.26 178.47 3f5o h GLU 46 N 0.98 0.58 0.00 1.61 4.81 -1.98 0.19 114.58 120.77 3f5o h GLU 46 Ca -0.40 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 3f5o h GLU 46 Cb 1.28 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3f5o h GLU 46 CO 0.59 0.38 0.00 1.05 -0.73 0.00 0.00 179.01 180.31 3f5o h GLU 47 N 0.60 0.00 -0.01 1.92 4.11 -1.99 -1.73 114.58 117.47 3f5o h GLU 47 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.95 3f5o h GLU 47 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3f5o h GLU 47 CO -0.42 0.00 -0.56 0.72 0.07 0.00 0.00 179.01 178.82 3f5o n HIS 48 N -2.70 0.00 -3.39 2.06 8.25 0.05 -5.01 115.22 114.48 3f5o n HIS 48 Ca -0.02 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.21 3f5o n HIS 48 Cb 0.07 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.16 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 -2.57 4.82 0.35 1.59 -4.23 -0.65 -1.34 115.64 113.60 3f5o s THR 49 Ca 0.17 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 3f5o s THR 49 Cb 0.18 -3.75 0.07 0.00 1.34 0.00 0.00 72.50 70.34 3f5o s THR 49 CO 0.62 -0.45 0.48 -0.46 -0.54 0.00 0.00 174.62 174.28 3f5o n ASN 50 N -1.78 0.69 0.15 3.99 0.23 0.14 -4.61 115.26 114.06 3f5o n ASN 50 Ca -0.04 -1.57 0.12 0.00 -0.53 0.00 0.00 54.58 52.56 3f5o n ASN 50 Cb 0.57 -0.31 0.53 0.00 -2.08 0.00 0.00 39.78 38.49 3f5o n ASN 50 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3f5o n ALA 51 N -2.94 1.41 -0.41 -2.53 0.00 -1.26 -1.93 120.51 112.85 3f5o n ALA 51 Ca -0.08 0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.60 3f5o n ALA 51 Cb 0.29 -1.36 0.32 0.00 0.00 0.00 0.00 19.45 18.70 3f5o n ALA 51 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3f5o n ILE 52 N -2.26 1.15 -1.07 0.00 -5.35 -1.26 -4.97 119.36 105.61 3f5o n ILE 52 Ca 0.01 -1.04 -0.03 0.00 -0.27 0.00 0.00 62.75 61.42 3f5o n ILE 52 Cb 0.15 0.43 -0.01 0.00 -1.74 0.00 0.00 39.64 38.47 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 1.50 0.58 3.71 3.28 0.00 -0.81 -5.04 105.19 108.41 3f5o n GLY 53 Ca 0.24 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.07 2.46 0.03 2.61 -4.23 -1.26 -2.25 115.64 110.92 3f5o s THR 54 Ca 0.00 -1.77 -0.35 0.00 -1.18 0.00 0.00 61.69 58.39 3f5o s THR 54 Cb 0.00 -2.95 -0.14 0.00 1.34 0.00 0.00 72.50 70.75 3f5o s THR 54 CO 0.00 -0.07 1.65 -0.11 -0.54 0.00 0.00 174.62 175.55 3f5o n LEU 55 N -1.15 2.92 -4.72 4.79 7.94 0.14 -0.69 117.00 126.23 3f5o n LEU 55 Ca -0.02 1.05 -0.42 0.00 -1.11 0.00 0.00 56.01 55.51 3f5o n LEU 55 Cb 0.64 -1.34 -0.03 0.00 0.53 0.00 0.00 43.42 43.21 3f5o n LEU 55 CO 0.45 -0.34 1.08 -2.28 -1.11 0.00 0.00 177.39 175.19 3f5o s HIS 56 N 2.11 3.19 0.53 1.96 5.65 -0.45 -4.70 115.29 123.58 3f5o s HIS 56 Ca 0.86 0.95 0.26 0.00 0.25 0.00 0.00 55.06 57.38 3f5o s HIS 56 Cb -0.76 -3.73 1.58 0.00 -1.18 0.00 0.00 32.58 28.49 3f5o s HIS 56 CO 0.46 -2.51 2.17 0.78 -0.65 0.00 0.00 174.74 175.00 3f5o h GLY 57 N 6.36 0.00 1.86 1.59 0.00 -1.91 -0.47 103.07 110.50 3f5o h GLY 57 Ca -0.43 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.72 3f5o h GLY 57 CO 0.85 0.00 -0.82 -1.33 0.00 0.00 0.00 176.54 175.24 3f5o h GLY 58 N 0.24 0.15 0.99 4.60 0.00 -1.98 -1.60 103.07 105.47 3f5o h GLY 58 Ca -0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 47.33 46.94 3f5o h GLY 58 CO 0.01 0.22 -0.38 -2.00 0.00 0.00 0.00 176.54 174.38 3f5o h LEU 59 N 0.08 0.77 -0.60 3.11 5.85 -1.50 -1.08 115.31 121.93 3f5o h LEU 59 Ca -0.03 -0.52 0.11 0.00 0.84 0.00 0.00 57.88 58.29 3f5o h LEU 59 Cb 1.43 -0.22 -0.09 0.00 0.37 0.00 0.00 40.66 42.16 3f5o h LEU 59 CO 0.12 1.13 0.12 0.74 -0.34 0.00 0.00 178.44 180.22 3f5o h THR 60 N 0.42 0.64 -0.84 1.05 2.02 -1.09 0.21 112.91 115.32 3f5o h THR 60 Ca 0.02 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 3f5o h THR 60 Cb 0.97 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 3f5o h THR 60 CO 0.09 0.05 0.47 0.00 0.37 0.00 0.00 175.52 176.50 3f5o h ALA 61 N 1.48 1.26 -0.39 6.16 0.00 -1.16 -0.81 119.26 125.80 3f5o h ALA 61 Ca 0.32 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3f5o h ALA 61 Cb 0.47 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3f5o h ALA 61 CO -0.41 0.61 0.06 1.15 0.00 0.00 0.00 179.25 180.66 3f5o h THR 62 N 1.17 1.24 -0.23 0.00 2.02 -0.42 -0.39 112.91 116.30 3f5o h THR 62 Ca 0.30 -0.87 0.04 0.00 0.77 0.00 0.00 66.41 66.64 3f5o h THR 62 Cb 0.00 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 3f5o h THR 62 CO -0.05 0.30 -0.01 -0.07 0.37 0.00 0.00 175.52 176.06 3f5o h LEU 63 N 0.49 -0.10 -0.24 2.58 3.38 -0.28 0.11 115.31 121.24 3f5o h LEU 63 Ca 0.12 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.19 3f5o h LEU 63 Cb 0.38 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3f5o h LEU 63 CO 0.01 -0.02 -0.09 0.58 0.09 0.00 0.00 178.44 179.01 3f5o h VAL 64 N 0.06 0.69 0.18 1.22 2.07 -0.91 0.16 116.25 119.72 3f5o h VAL 64 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 3f5o h VAL 64 Cb 0.14 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3f5o h VAL 64 CO -0.19 0.00 -0.16 -0.78 0.02 0.00 0.00 177.57 176.46 3f5o h ASP 65 N -0.05 -0.43 -0.17 0.57 1.82 -0.84 -2.02 116.42 115.31 3f5o h ASP 65 Ca 0.12 0.04 -0.17 0.00 -0.39 0.00 0.00 57.03 56.63 3f5o h ASP 65 Cb 0.23 0.15 0.01 0.00 0.68 0.00 0.00 39.33 40.39 3f5o h ASP 65 CO -0.27 -0.25 -0.55 0.78 -1.61 0.00 0.00 179.24 177.34 3f5o h ASN 66 N -0.36 0.78 0.21 2.28 4.21 -0.68 -2.25 115.58 119.77 3f5o h ASN 66 Ca -0.00 -0.60 -0.20 0.00 1.21 0.00 0.00 56.30 56.71 3f5o h ASN 66 Cb 0.34 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 37.31 3f5o h ASN 66 CO -0.03 1.24 -0.78 0.40 -1.29 0.00 0.00 177.43 176.97 3f5o h ILE 67 N 0.37 1.37 -0.74 2.81 1.08 -1.01 -0.15 117.51 121.24 3f5o h ILE 67 Ca -0.02 -2.18 -0.05 0.00 -0.39 0.00 0.00 64.86 62.22 3f5o h ILE 67 Cb 1.18 2.16 -0.03 0.00 -3.07 0.00 0.00 36.82 37.05 3f5o h ILE 67 CO 0.12 0.66 0.25 0.77 -0.69 0.00 0.00 178.15 179.26 3f5o h SER 68 N 0.31 1.04 -0.77 1.72 4.64 -1.43 -1.54 113.55 117.53 3f5o h SER 68 Ca -0.04 -0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 61.08 3f5o h SER 68 Cb 1.38 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 63.16 3f5o h SER 68 CO 0.14 0.95 0.42 0.74 -0.87 0.00 0.00 176.83 178.21 3f5o h THR 69 N 1.08 1.23 -0.80 2.95 2.02 -0.76 -2.12 112.91 116.51 3f5o h THR 69 Ca 0.24 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 3f5o h THR 69 Cb 0.27 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.82 3f5o h THR 69 CO -0.01 0.26 0.44 0.24 0.37 0.00 0.00 175.52 176.81 3f5o h MET 70 N 1.09 1.12 -0.93 6.66 2.07 -0.49 -0.93 114.93 123.53 3f5o h MET 70 Ca 0.28 -0.13 0.05 0.00 -2.07 0.00 0.00 59.70 57.82 3f5o h MET 70 Cb 0.03 -0.22 -0.06 0.00 -1.87 0.00 0.00 31.60 29.48 3f5o h MET 70 CO -0.04 0.83 0.60 0.00 1.07 0.00 0.00 176.91 179.37 3f5o h ALA 71 N 1.23 1.44 -0.33 6.32 0.00 -0.78 -1.73 119.26 125.41 3f5o h ALA 71 Ca 0.28 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 3f5o h ALA 71 Cb 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3f5o h ALA 71 CO -0.04 0.45 -0.29 -0.07 0.00 0.00 0.00 179.25 179.30 3f5o h LEU 72 N 1.12 0.71 -1.66 0.00 3.38 -0.69 -2.54 115.31 115.63 3f5o h LEU 72 Ca 0.38 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3f5o h LEU 72 Cb 0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3f5o h LEU 72 CO -0.13 0.96 -0.01 -0.07 0.09 0.00 0.00 178.44 179.28 3f5o h LEU 73 N 0.59 0.17 -2.41 1.67 3.38 -0.59 -2.82 115.31 115.30 3f5o h LEU 73 Ca 0.07 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3f5o h LEU 73 Cb 0.79 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 3f5o h LEU 73 CO 0.06 0.22 0.13 0.00 0.09 0.00 0.00 178.44 178.95 3f5o s THR 75 N -0.66 2.49 0.15 0.00 -4.23 -1.06 -1.19 115.64 111.13 3f5o s THR 75 Ca 0.11 -1.95 -0.25 0.00 -1.18 0.00 0.00 61.69 58.43 3f5o s THR 75 Cb 0.10 -2.84 0.01 0.00 1.34 0.00 0.00 72.50 71.11 3f5o s THR 75 CO 0.02 -0.15 1.61 -0.08 -0.54 0.00 0.00 174.62 175.48 3f5o h GLU 76 N 1.76 -0.33 -0.42 3.99 4.81 -1.88 -1.72 114.58 120.79 3f5o h GLU 76 Ca -0.43 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.83 3f5o h GLU 76 Cb 1.25 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 3f5o h GLU 76 CO 0.69 -0.22 0.27 -0.09 -0.73 0.00 0.00 179.01 178.93 3f5o h ARG 77 N -0.34 0.53 -0.81 1.92 2.43 -1.94 -3.46 114.38 112.72 3f5o h ARG 77 Ca 0.12 -0.03 -0.27 0.00 -0.81 0.00 0.00 59.98 58.99 3f5o h ARG 77 Cb 0.54 -0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 29.88 3f5o h ARG 77 CO -0.42 0.35 -0.26 0.41 -1.51 0.00 0.00 179.97 178.55 3f5o n GLY 78 N -1.21 1.15 3.69 2.80 0.00 -0.65 -4.99 105.19 105.98 3f5o n GLY 78 Ca 0.01 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.51 3.43 -0.10 4.61 0.00 -1.26 -4.54 121.76 121.40 3f5o s ALA 79 Ca 0.00 -0.01 0.20 0.00 0.00 0.00 0.00 51.96 52.16 3f5o s ALA 79 Cb 0.00 -3.00 0.46 0.00 0.00 0.00 0.00 23.12 20.58 3f5o s ALA 79 CO 0.00 -0.33 1.63 -1.00 0.00 0.00 0.00 175.76 176.06 3f5o h PRO 80 N 7.07 0.00 0.00 0.00 0.13 -1.88 -3.41 132.00 133.91 3f5o h PRO 80 Ca -0.36 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.93 3f5o h PRO 80 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 3f5o h PRO 80 CO 0.78 0.30 -0.21 0.41 -0.23 0.00 0.00 178.00 179.04 3f5o n GLY 81 N 0.78 -1.71 3.23 1.56 0.00 -1.26 -4.91 105.19 102.88 3f5o n GLY 81 Ca 0.02 -1.21 -0.23 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.08 1.50 0.34 1.61 -7.23 -0.22 -4.91 120.40 110.42 3f5o s VAL 82 Ca 0.00 -1.29 -0.29 0.00 -1.81 0.00 0.00 61.98 58.59 3f5o s VAL 82 Cb 0.00 -1.35 -0.11 0.00 0.56 0.00 0.00 36.38 35.48 3f5o s VAL 82 CO 0.00 0.02 1.42 -0.44 -0.31 0.00 0.00 175.10 175.79 3f5o s SER 83 N -1.50 6.54 -0.04 4.85 0.01 -1.26 -0.35 113.70 121.95 3f5o s SER 83 Ca 0.05 2.87 -0.03 0.00 1.31 0.00 0.00 55.95 60.15 3f5o s SER 83 Cb -0.09 -2.66 -0.02 0.00 0.21 0.00 0.00 66.02 63.46 3f5o s SER 83 CO 0.03 -0.73 -0.06 0.52 0.41 0.00 0.00 173.24 173.40 3f5o n VAL 84 N 0.84 0.35 -3.85 3.43 0.31 0.32 -4.82 118.33 114.90 3f5o n VAL 84 Ca 0.01 -0.04 -0.12 0.00 -0.01 0.00 0.00 64.34 64.19 3f5o n VAL 84 Cb 0.40 -1.58 -0.13 0.00 -0.91 0.00 0.00 33.84 31.62 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 -5.48 -0.07 -0.03 4.52 1.01 -1.05 -5.00 116.67 110.57 3f5o s ASP 85 Ca -0.07 0.12 -0.02 0.00 0.71 0.00 0.00 52.55 53.30 3f5o s ASP 85 Cb 0.02 0.15 0.01 0.00 1.01 0.00 0.00 42.92 44.11 3f5o s ASP 85 CO 0.09 -0.04 0.07 -0.32 0.21 0.00 0.00 175.17 175.18 3f5o s MET 86 N -0.02 0.07 0.14 8.23 -2.45 -1.26 -0.57 119.30 123.44 3f5o s MET 86 Ca -0.01 0.12 0.06 0.00 -1.25 0.00 0.00 55.69 54.62 3f5o s MET 86 Cb -0.01 -0.00 -0.04 0.00 1.25 0.00 0.00 34.83 36.03 3f5o s MET 86 CO 0.00 -0.03 -0.13 0.54 1.05 0.00 0.00 175.02 176.44 3f5o s ASN 87 N 0.21 2.09 -0.06 1.11 2.20 -0.36 -4.99 114.94 115.14 3f5o s ASN 87 Ca -0.01 -0.89 -0.04 0.00 -0.94 0.00 0.00 52.86 50.97 3f5o s ASN 87 Cb -0.02 -0.07 0.02 0.00 -2.00 0.00 0.00 41.25 39.18 3f5o s ASN 87 CO -0.01 -0.18 0.14 -0.63 -2.94 0.00 0.00 177.10 173.48 3f5o s ILE 88 N -2.54 -0.02 -0.07 0.54 1.09 -1.26 -1.64 121.20 117.30 3f5o s ILE 88 Ca 0.13 0.06 0.05 0.00 -1.10 0.00 0.00 60.65 59.79 3f5o s ILE 88 Cb -0.03 -0.22 -0.01 0.00 -1.06 0.00 0.00 42.46 41.14 3f5o s ILE 88 CO 0.03 0.03 -0.22 -0.89 -0.10 0.00 0.00 174.94 173.79 3f5o s THR 89 N 0.46 2.29 -0.31 2.92 2.01 0.89 -4.99 115.64 118.91 3f5o s THR 89 Ca -0.03 -0.97 -0.03 0.00 0.31 0.00 0.00 61.69 60.97 3f5o s THR 89 Cb -0.05 -1.86 0.05 0.00 0.01 0.00 0.00 72.50 70.65 3f5o s THR 89 CO -0.02 0.57 0.03 -0.31 -0.69 0.00 0.00 174.62 174.19 3f5o s TYR 90 N -0.11 3.26 -0.20 4.92 1.51 -1.26 -1.57 117.35 123.90 3f5o s TYR 90 Ca -0.05 -1.76 0.10 0.00 -1.01 0.00 0.00 57.07 54.35 3f5o s TYR 90 Cb -0.14 -2.15 -0.22 0.00 -0.11 0.00 0.00 41.96 39.33 3f5o s TYR 90 CO 0.04 -0.79 0.06 -1.33 -1.11 0.00 0.00 175.55 172.43 3f5o n MET 91 N 4.67 0.68 -3.75 -0.62 2.81 0.16 -5.00 117.12 116.06 3f5o n MET 91 Ca -0.13 0.10 -0.13 0.00 -1.81 0.00 0.00 57.70 55.73 3f5o n MET 91 Cb 0.44 -1.57 -0.08 0.00 -0.71 0.00 0.00 33.22 31.30 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 -6.01 -0.19 0.50 7.83 0.01 -0.95 -5.00 113.70 109.90 3f5o s SER 92 Ca -0.19 0.04 -0.20 0.00 1.31 0.00 0.00 55.95 56.92 3f5o s SER 92 Cb 0.07 0.32 -0.08 0.00 0.21 0.00 0.00 66.02 66.55 3f5o s SER 92 CO 0.75 -0.48 1.07 -2.16 0.41 0.00 0.00 173.24 172.83 3f5o s PRO 93 N -1.56 3.66 -0.28 12.44 0.04 -1.26 -4.62 135.00 143.43 3f5o s PRO 93 Ca -0.12 1.45 -0.07 0.00 0.04 0.00 0.00 61.00 62.30 3f5o s PRO 93 Cb -0.04 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 3f5o s PRO 93 CO 0.03 -0.56 0.08 0.00 0.04 0.00 0.00 177.00 176.58 3f5o s ALA 94 N -1.90 3.10 0.42 8.56 0.00 -1.26 -5.00 121.76 125.68 3f5o s ALA 94 Ca 0.69 -1.32 -0.13 0.00 0.00 0.00 0.00 51.96 51.20 3f5o s ALA 94 Cb -0.19 -2.12 -0.07 0.00 0.00 0.00 0.00 23.12 20.74 3f5o s ALA 94 CO 0.22 -0.74 0.82 0.15 0.00 0.00 0.00 175.76 176.21 3f5o s LYS 95 N 1.55 3.86 0.12 0.00 1.02 -1.26 0.24 119.74 125.27 3f5o s LYS 95 Ca 0.04 0.63 -0.34 0.00 0.02 0.00 0.00 55.97 56.32 3f5o s LYS 95 Cb -0.16 -2.33 -0.17 0.00 -0.52 0.00 0.00 37.83 34.64 3f5o s LYS 95 CO 0.03 -0.06 0.99 -0.11 -0.92 0.00 0.00 175.35 175.28 3f5o n LEU 96 N -1.20 0.39 0.00 3.17 7.94 -0.95 -1.42 117.00 124.92 3f5o n LEU 96 Ca 0.04 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 3f5o n LEU 96 Cb 0.54 -1.06 0.00 0.00 0.53 0.00 0.00 43.42 43.43 3f5o n LEU 96 CO 0.46 -1.88 0.00 0.61 -1.11 0.00 0.00 177.39 175.47 3f5o n GLY 97 N 1.86 2.45 3.81 -3.96 0.00 0.10 -5.00 105.19 104.45 3f5o n GLY 97 Ca 0.17 0.00 -0.34 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 -0.58 4.28 -0.13 1.61 2.02 -0.51 -4.68 118.70 120.71 3f5o s GLU 98 Ca 0.00 1.11 -0.13 0.00 0.02 0.00 0.00 54.97 55.98 3f5o s GLU 98 Cb 0.00 -2.34 -0.05 0.00 0.10 0.00 0.00 34.13 31.84 3f5o s GLU 98 CO 0.00 0.06 0.28 -0.51 0.02 0.00 0.00 175.26 175.11 3f5o s ASP 99 N -2.06 6.47 0.20 -0.19 1.01 -1.26 -0.34 116.67 120.49 3f5o s ASP 99 Ca 0.58 0.55 0.11 0.00 0.71 0.00 0.00 52.55 54.50 3f5o s ASP 99 Cb -0.11 -2.17 -0.04 0.00 1.01 0.00 0.00 42.92 41.60 3f5o s ASP 99 CO 0.16 0.18 -0.22 0.27 0.21 0.00 0.00 175.17 175.77 3f5o s ILE 100 N 0.02 2.49 -0.08 0.77 -4.36 0.53 -0.85 121.20 119.71 3f5o s ILE 100 Ca 0.17 -2.01 0.04 0.00 -0.26 0.00 0.00 60.65 58.59 3f5o s ILE 100 Cb -0.13 -2.21 -0.01 0.00 1.25 0.00 0.00 42.46 41.36 3f5o s ILE 100 CO 0.05 -0.14 -0.21 -0.69 0.24 0.00 0.00 174.94 174.19 3f5o s VAL 101 N -1.74 2.41 -0.24 8.37 1.01 0.16 -1.74 120.40 128.62 3f5o s VAL 101 Ca 0.22 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 3f5o s VAL 101 Cb -0.08 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.39 3f5o s VAL 101 CO 0.11 0.56 -0.06 -0.63 0.00 0.00 0.00 175.10 175.08 3f5o s ILE 102 N -0.00 2.94 -0.22 2.22 1.09 0.14 -0.83 121.20 126.54 3f5o s ILE 102 Ca -0.07 -0.91 -0.01 0.00 -1.10 0.00 0.00 60.65 58.56 3f5o s ILE 102 Cb -0.15 -2.45 0.02 0.00 -1.06 0.00 0.00 42.46 38.83 3f5o s ILE 102 CO 0.05 0.26 -0.11 -0.89 -0.10 0.00 0.00 174.94 174.15 3f5o s THR 103 N 1.36 2.61 -0.07 2.92 2.01 -0.08 -0.75 115.64 123.64 3f5o s THR 103 Ca 0.02 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.11 3f5o s THR 103 Cb -0.16 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 3f5o s THR 103 CO -0.05 0.35 -0.19 0.00 -0.69 0.00 0.00 174.62 174.04 3f5o s ALA 104 N 1.32 2.42 0.03 7.40 0.00 0.15 -1.02 121.76 132.07 3f5o s ALA 104 Ca 0.02 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3f5o s ALA 104 Cb -0.15 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 3f5o s ALA 104 CO -0.07 0.42 -0.06 -3.38 0.00 0.00 0.00 175.76 172.67 3f5o s HIS 105 N -0.23 0.52 -0.13 0.00 -3.43 0.12 -1.31 115.29 110.82 3f5o s HIS 105 Ca -0.00 -0.53 -0.27 0.00 -0.80 0.00 0.00 55.06 53.46 3f5o s HIS 105 Cb -0.13 -0.33 -0.01 0.00 -1.43 0.00 0.00 32.58 30.68 3f5o s HIS 105 CO 0.03 -0.13 0.92 0.08 -2.00 0.00 0.00 174.74 173.64 3f5o s VAL 106 N -1.48 4.83 -0.06 -5.38 1.01 0.52 -1.09 120.40 118.75 3f5o s VAL 106 Ca -0.12 1.84 -0.05 0.00 0.00 0.00 0.00 61.98 63.65 3f5o s VAL 106 Cb -0.10 -4.23 -0.28 0.00 0.00 0.00 0.00 36.38 31.78 3f5o s VAL 106 CO -0.00 0.02 0.60 -0.07 0.00 0.00 0.00 175.10 175.64 3f5o h LEU 107 N 8.12 0.43 -7.00 3.92 3.38 -0.89 -3.48 115.31 119.79 3f5o h LEU 107 Ca -0.30 -0.77 0.05 0.00 0.09 0.00 0.00 57.88 56.95 3f5o h LEU 107 Cb 1.14 -0.14 -0.24 0.00 0.09 0.00 0.00 40.66 41.51 3f5o h LEU 107 CO 0.85 1.67 0.43 -0.75 0.09 0.00 0.00 178.44 180.72 3f5o s LYS 108 N -2.58 0.62 -0.01 1.13 2.20 -1.16 -5.01 119.74 114.93 3f5o s LYS 108 Ca -0.16 0.46 0.04 0.00 -0.36 0.00 0.00 55.97 55.95 3f5o s LYS 108 Cb 0.06 0.30 -0.01 0.00 -1.51 0.00 0.00 37.83 36.67 3f5o s LYS 108 CO 0.82 -0.13 -0.12 1.14 -0.36 0.00 0.00 175.35 176.70 3f5o s GLN 109 N -0.31 1.02 0.00 4.03 -2.07 -1.26 -0.70 119.66 120.36 3f5o s GLN 109 Ca -0.00 -0.43 0.00 0.00 -1.82 0.00 0.00 55.36 53.11 3f5o s GLN 109 Cb -0.03 -0.98 0.00 0.00 -1.09 0.00 0.00 33.01 30.91 3f5o s GLN 109 CO -0.02 0.25 0.00 0.41 -1.32 0.00 0.00 175.29 174.62 3f5o n GLY 110 N 2.83 5.59 0.28 2.60 0.00 0.45 -5.00 105.19 111.93 3f5o n GLY 110 Ca -0.14 -2.03 -0.09 0.00 0.00 0.00 0.00 46.02 43.75 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 0.95 0.00 1.61 1.79 -2.01 -3.37 116.57 115.54 3f5o h LYS 111 Ca 0.00 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 3f5o h LYS 111 Cb 0.00 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 3f5o h LYS 111 CO 0.00 0.93 -0.01 0.25 -1.08 0.00 0.00 179.45 179.54 3f5o n THR 112 N -4.31 0.00 -4.43 -0.16 -2.24 -1.26 -4.82 114.28 97.06 3f5o n THR 112 Ca 0.02 -0.36 -0.20 0.00 -2.27 0.00 0.00 64.05 61.25 3f5o n THR 112 Cb 0.29 0.99 -0.15 0.00 -2.10 0.00 0.00 70.33 69.37 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 -1.44 1.99 0.06 3.22 1.43 -1.26 0.24 118.68 122.92 3f5o s LEU 113 Ca 0.00 -0.18 0.07 0.00 -1.03 0.00 0.00 54.13 52.98 3f5o s LEU 113 Cb 0.00 -0.53 -0.03 0.00 0.03 0.00 0.00 46.19 45.67 3f5o s LEU 113 CO 0.00 0.12 -0.18 0.00 0.23 0.00 0.00 176.35 176.51 3f5o s ALA 114 N -0.18 1.54 -0.06 4.21 0.00 -0.17 -0.41 121.76 126.68 3f5o s ALA 114 Ca 0.03 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 51.00 3f5o s ALA 114 Cb -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.83 3f5o s ALA 114 CO -0.00 0.31 -0.18 -0.06 0.00 0.00 0.00 175.76 175.83 3f5o s PHE 115 N -0.95 1.91 0.05 0.00 0.40 0.12 -0.78 117.98 118.73 3f5o s PHE 115 Ca 0.05 -0.66 0.01 0.00 -0.60 0.00 0.00 56.93 55.73 3f5o s PHE 115 Cb -0.09 -1.30 -0.03 0.00 0.51 0.00 0.00 43.02 42.11 3f5o s PHE 115 CO 0.02 -0.26 -0.06 0.95 0.70 0.00 0.00 175.22 176.57 3f5o s THR 116 N 0.26 0.44 0.06 0.64 -4.23 -0.18 -0.16 115.64 112.47 3f5o s THR 116 Ca -0.10 -1.34 0.06 0.00 -1.18 0.00 0.00 61.69 59.13 3f5o s THR 116 Cb -0.14 -0.90 -0.03 0.00 1.34 0.00 0.00 72.50 72.77 3f5o s THR 116 CO 0.04 -0.60 -0.16 -0.55 -0.54 0.00 0.00 174.62 172.81 3f5o s SER 117 N -2.07 1.94 -0.02 3.99 0.15 -0.25 -1.01 113.70 116.44 3f5o s SER 117 Ca -0.04 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.07 3f5o s SER 117 Cb -0.04 -0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.17 3f5o s SER 117 CO -0.02 0.03 -0.00 -0.69 1.20 0.00 0.00 173.24 173.75 3f5o s VAL 118 N -0.99 0.14 -0.08 4.45 1.01 0.12 -0.70 120.40 124.35 3f5o s VAL 118 Ca 0.02 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.06 3f5o s VAL 118 Cb -0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 3f5o s VAL 118 CO 0.02 0.10 -0.13 -1.81 0.00 0.00 0.00 175.10 173.28 3f5o s ASP 119 N 0.61 4.08 -0.12 3.32 1.01 -0.19 -0.74 116.67 124.64 3f5o s ASP 119 Ca -0.06 -0.22 -0.02 0.00 0.71 0.00 0.00 52.55 52.96 3f5o s ASP 119 Cb -0.09 -1.12 -0.03 0.00 1.01 0.00 0.00 42.92 42.70 3f5o s ASP 119 CO -0.01 0.29 -0.06 -0.76 0.21 0.00 0.00 175.17 174.84 3f5o s LEU 120 N -0.39 3.16 0.03 1.23 1.02 -0.20 -0.90 118.68 122.64 3f5o s LEU 120 Ca 0.04 -0.11 0.01 0.00 0.02 0.00 0.00 54.13 54.10 3f5o s LEU 120 Cb -0.12 -1.73 -0.02 0.00 0.02 0.00 0.00 46.19 44.34 3f5o s LEU 120 CO 0.02 0.24 -0.05 -0.89 0.02 0.00 0.00 176.35 175.69 3f5o s THR 121 N -0.09 0.34 0.03 5.49 2.01 -0.01 0.17 115.64 123.58 3f5o s THR 121 Ca 0.01 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.78 3f5o s THR 121 Cb -0.13 -0.44 -0.05 0.00 0.01 0.00 0.00 72.50 71.89 3f5o s THR 121 CO 0.03 -0.39 1.22 0.21 -0.69 0.00 0.00 174.62 175.00 3f5o s ASN 122 N -1.40 7.05 0.23 3.53 3.84 0.17 -0.67 114.94 127.69 3f5o s ASN 122 Ca -0.11 1.98 -0.08 0.00 0.21 0.00 0.00 52.86 54.86 3f5o s ASN 122 Cb -0.09 -2.57 0.20 0.00 -0.55 0.00 0.00 41.25 38.24 3f5o s ASN 122 CO -0.00 -0.52 1.88 0.50 -2.79 0.00 0.00 177.10 176.17 3f5o h LYS 123 N 7.03 1.20 -0.23 0.43 3.64 -1.30 0.12 116.57 127.46 3f5o h LYS 123 Ca -0.40 -0.11 -0.19 0.00 -1.27 0.00 0.00 60.65 58.69 3f5o h LYS 123 Cb 1.20 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 3f5o h LYS 123 CO 0.83 0.84 -0.59 0.00 -2.27 0.00 0.00 179.45 178.26 3f5o h ALA 124 N 1.29 0.38 0.00 5.00 0.00 -1.92 -3.36 119.26 120.65 3f5o h ALA 124 Ca 0.32 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3f5o h ALA 124 Cb -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3f5o h ALA 124 CO -0.06 0.62 -1.51 0.25 0.00 0.00 0.00 179.25 178.55 3f5o n THR 125 N -4.04 0.00 -0.81 0.00 -2.24 -1.19 -4.99 114.28 101.02 3f5o n THR 125 Ca -0.06 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3f5o n THR 125 Cb 0.65 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 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 1.68 1.37 3.76 3.38 0.00 0.41 -5.00 105.19 110.78 3f5o n GLY 126 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.01 4.49 0.09 1.61 -0.14 -1.25 -4.56 119.74 119.97 3f5o s LYS 127 Ca 0.00 2.00 -0.31 0.00 -1.36 0.00 0.00 55.97 56.30 3f5o s LYS 127 Cb 0.00 -3.15 -0.09 0.00 -1.68 0.00 0.00 37.83 32.92 3f5o s LYS 127 CO 0.00 -0.02 1.63 -0.51 -0.76 0.00 0.00 175.35 175.70 3f5o s LEU 128 N -1.34 4.37 -0.20 3.17 1.43 -1.26 -0.65 118.68 124.19 3f5o s LEU 128 Ca 0.48 2.51 -0.21 0.00 -1.03 0.00 0.00 54.13 55.88 3f5o s LEU 128 Cb -0.36 -3.57 -0.18 0.00 0.03 0.00 0.00 46.19 42.12 3f5o s LEU 128 CO 0.45 -0.87 0.21 0.40 0.23 0.00 0.00 176.35 176.77 3f5o h ILE 129 N 4.66 0.89 -3.14 -0.59 2.04 -0.54 -3.32 117.51 117.51 3f5o h ILE 129 Ca -0.43 -2.08 -0.05 0.00 1.00 0.00 0.00 64.86 63.30 3f5o h ILE 129 Cb 1.20 2.09 -0.14 0.00 -0.74 0.00 0.00 36.82 39.23 3f5o h ILE 129 CO 0.93 0.30 -0.00 0.00 0.00 0.00 0.00 178.15 179.38 3f5o s ALA 130 N -2.39 -1.15 -0.01 1.87 0.00 -1.03 -0.67 121.76 118.39 3f5o s ALA 130 Ca -0.27 0.24 0.03 0.00 0.00 0.00 0.00 51.96 51.95 3f5o s ALA 130 Cb 0.05 0.62 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 3f5o s ALA 130 CO 0.56 -0.61 -0.09 -1.14 0.00 0.00 0.00 175.76 174.48 3f5o s GLN 131 N -3.33 0.70 0.09 0.00 0.74 -0.61 -1.03 119.66 116.23 3f5o s GLN 131 Ca -0.00 -0.31 0.02 0.00 0.05 0.00 0.00 55.36 55.13 3f5o s GLN 131 Cb 0.00 -0.68 -0.04 0.00 1.10 0.00 0.00 33.01 33.40 3f5o s GLN 131 CO -0.09 0.18 -0.08 0.20 -0.55 0.00 0.00 175.29 174.96 3f5o s GLY 132 N -0.19 0.78 0.08 2.59 0.00 0.08 -0.08 107.32 110.57 3f5o s GLY 132 Ca 0.03 -1.25 0.06 0.00 0.00 0.00 0.00 44.72 43.56 3f5o s GLY 132 CO -0.00 -1.34 -0.16 -1.60 0.00 0.00 0.00 173.10 169.99 3f5o s ARG 133 N -3.32 0.95 -0.14 2.90 3.52 -0.65 -0.70 118.95 121.51 3f5o s ARG 133 Ca 0.08 -0.99 -0.05 0.00 -0.13 0.00 0.00 55.73 54.64 3f5o s ARG 133 Cb 0.01 -1.04 0.07 0.00 -1.56 0.00 0.00 34.95 32.43 3f5o s ARG 133 CO -0.03 0.24 0.28 -1.58 -0.81 0.00 0.00 175.30 173.41 3f5o s HIS 134 N -1.17 -0.47 -0.17 5.12 5.65 -0.18 -1.23 115.29 122.86 3f5o s HIS 134 Ca 0.01 1.03 -0.04 0.00 0.25 0.00 0.00 55.06 56.32 3f5o s HIS 134 Cb -0.10 0.02 -0.03 0.00 -1.18 0.00 0.00 32.58 31.30 3f5o s HIS 134 CO 0.03 -0.36 -0.02 0.99 -0.65 0.00 0.00 174.74 174.73 3f5o s THR 135 N 2.30 4.00 0.14 0.89 2.01 0.26 -1.02 115.64 124.23 3f5o s THR 135 Ca -0.00 -0.32 0.09 0.00 0.31 0.00 0.00 61.69 61.77 3f5o s THR 135 Cb -0.12 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 3f5o s THR 135 CO -0.09 0.48 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.56 3f5o s LYS 136 N 0.46 1.27 -0.19 4.92 1.02 0.04 -0.52 119.74 126.73 3f5o s LYS 136 Ca -0.03 -1.32 -0.09 0.00 0.02 0.00 0.00 55.97 54.56 3f5o s LYS 136 Cb -0.14 -1.52 -0.05 0.00 -0.52 0.00 0.00 37.83 35.61 3f5o s LYS 136 CO 0.02 0.34 0.10 -1.58 -0.92 0.00 0.00 175.35 173.32 3f5o s HIS 137 N -1.49 3.35 -0.17 3.18 5.65 0.52 -1.00 115.29 125.34 3f5o s HIS 137 Ca 0.12 0.24 -0.05 0.00 0.25 0.00 0.00 55.06 55.62 3f5o s HIS 137 Cb -0.08 -2.13 -0.03 0.00 -1.18 0.00 0.00 32.58 29.16 3f5o s HIS 137 CO 0.06 0.24 0.01 -0.51 -0.65 0.00 0.00 174.74 173.89 3f5o s LEU 138 N 0.35 3.50 0.00 8.88 1.43 0.14 -1.05 118.68 131.92 3f5o s LEU 138 Ca 0.06 -0.03 0.29 0.00 -1.03 0.00 0.00 54.13 53.42 3f5o s LEU 138 Cb -0.11 -1.86 1.33 0.00 0.03 0.00 0.00 46.19 45.57 3f5o s LEU 138 CO -0.01 0.18 1.90 0.61 0.23 0.00 0.00 176.35 179.26