#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfj s HIS 4 N 0.00 3.46 -0.04 4.31 3.76 -1.26 -5.05 115.29 120.47 1nfj s HIS 4 Ca 0.00 0.62 0.05 0.00 -0.15 0.00 0.00 55.06 55.58 1nfj s HIS 4 Cb 0.00 -2.36 -0.01 0.00 1.11 0.00 0.00 32.58 31.32 1nfj s HIS 4 CO 0.00 0.23 -0.19 0.08 -0.85 0.00 0.00 174.74 174.01 1nfj s VAL 5 N 0.48 1.54 -0.24 -0.90 1.01 -1.26 -1.06 120.40 119.97 1nfj s VAL 5 Ca 0.17 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1nfj s VAL 5 Cb -0.13 -1.31 0.05 0.00 0.00 0.00 0.00 36.38 34.99 1nfj s VAL 5 CO 0.04 0.44 -0.12 -0.69 0.00 0.00 0.00 175.10 174.77 1nfj s VAL 6 N -0.13 2.06 -0.16 2.92 1.01 0.13 -4.96 120.40 121.27 1nfj s VAL 6 Ca -0.01 -1.45 -0.22 0.00 0.00 0.00 0.00 61.98 60.30 1nfj s VAL 6 Cb -0.11 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1nfj s VAL 6 CO 0.02 0.06 0.70 -0.31 0.00 0.00 0.00 175.10 175.57 1nfj s TYR 7 N 1.18 3.43 -0.23 5.22 1.51 -1.26 -1.33 117.35 125.87 1nfj s TYR 7 Ca -0.06 1.08 -0.15 0.00 -1.01 0.00 0.00 57.07 56.92 1nfj s TYR 7 Cb -0.19 -2.86 -0.04 0.00 -0.11 0.00 0.00 41.96 38.77 1nfj s TYR 7 CO -0.07 -0.14 0.38 0.08 -1.11 0.00 0.00 175.55 174.69 1nfj s VAL 8 N 1.75 5.20 0.00 0.71 1.01 0.67 -4.96 120.40 124.79 1nfj s VAL 8 Ca 0.33 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.94 1nfj s VAL 8 Cb -0.16 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1nfj s VAL 8 CO 0.12 0.22 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1nfj n GLY 9 N 4.22 3.62 0.97 4.51 0.00 -1.26 -4.56 105.19 112.69 1nfj n GLY 9 Ca -0.09 -1.19 0.12 0.00 0.00 0.00 0.00 46.02 44.87 1nfj n GLY 9 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nfj n ASN 10 N 0.00 3.02 -4.69 1.61 5.03 -1.26 -4.83 115.26 114.14 1nfj n ASN 10 Ca 0.00 -1.98 -0.29 0.00 0.87 0.00 0.00 54.58 53.17 1nfj n ASN 10 Cb 0.00 -0.04 0.16 0.00 -1.02 0.00 0.00 39.78 38.88 1nfj n ASN 10 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1nfj s LYS 11 N -1.92 0.88 0.59 3.52 1.02 -1.26 -4.93 119.74 117.65 1nfj s LYS 11 Ca 0.30 0.77 -0.18 0.00 0.02 0.00 0.00 55.97 56.87 1nfj s LYS 11 Cb 0.20 -1.77 -0.06 0.00 -0.52 0.00 0.00 37.83 35.69 1nfj s LYS 11 CO 0.30 -2.49 0.86 -2.30 -0.92 0.00 0.00 175.35 170.81 1nfj n PRO 12 N -4.04 0.80 -0.21 -1.68 -0.02 -1.26 -4.86 135.00 123.72 1nfj n PRO 12 Ca 0.06 0.31 0.05 0.00 -2.02 0.00 0.00 63.50 61.91 1nfj n PRO 12 Cb 0.56 -2.06 0.31 0.00 -0.02 0.00 0.00 33.50 32.29 1nfj n PRO 12 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1nfj h VAL 13 N 0.42 1.05 -0.05 -1.45 2.07 -1.96 -2.60 116.25 113.74 1nfj h VAL 13 Ca -0.48 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1nfj h VAL 13 Cb 1.37 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1nfj h VAL 13 CO 0.50 0.15 0.04 -0.03 0.02 0.00 0.00 177.57 178.25 1nfj h MET 14 N 0.85 0.00 -0.72 1.57 1.85 -1.99 -1.78 114.93 114.70 1nfj h MET 14 Ca 0.32 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.37 1nfj h MET 14 Cb 0.20 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.19 1nfj h MET 14 CO -0.11 0.00 0.26 -0.91 -0.40 0.00 0.00 176.91 175.75 1nfj h ASN 15 N 0.00 1.02 0.92 1.39 -0.26 -1.81 -1.42 115.58 115.42 1nfj h ASN 15 Ca 0.02 -0.19 -0.18 0.00 -0.56 0.00 0.00 56.30 55.39 1nfj h ASN 15 Cb 0.09 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 37.06 1nfj h ASN 15 CO -0.00 0.93 -0.86 1.88 -1.06 0.00 0.00 177.43 178.33 1nfj h TYR 16 N 1.04 0.00 -0.20 1.19 -1.99 -1.48 -2.13 116.97 113.41 1nfj h TYR 16 Ca 0.24 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.93 1nfj h TYR 16 Cb 0.26 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.98 1nfj h TYR 16 CO 0.02 0.86 -0.02 0.28 -0.00 0.00 0.00 178.16 179.30 1nfj h VAL 17 N 0.00 1.27 -0.39 -2.88 2.07 -1.17 -1.02 116.25 114.12 1nfj h VAL 17 Ca -0.01 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1nfj h VAL 17 Cb 1.55 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 1nfj h VAL 17 CO 0.11 0.28 0.17 -0.07 0.02 0.00 0.00 177.57 178.08 1nfj h LEU 18 N 0.11 0.54 -0.72 2.57 3.38 -1.26 0.23 115.31 120.16 1nfj h LEU 18 Ca 0.05 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.92 1nfj h LEU 18 Cb 0.43 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1nfj h LEU 18 CO 0.01 0.55 0.42 0.00 0.09 0.00 0.00 178.44 179.51 1nfj h ALA 19 N 1.01 0.96 0.00 1.53 0.00 -1.33 0.66 119.26 122.09 1nfj h ALA 19 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1nfj h ALA 19 Cb 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1nfj h ALA 19 CO -0.01 0.13 -0.00 1.15 0.00 0.00 0.00 179.25 180.52 1nfj h THR 20 N 0.78 1.19 -0.99 0.00 2.02 -0.74 -2.50 112.91 112.67 1nfj h THR 20 Ca 0.31 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.93 1nfj h THR 20 Cb 0.15 1.58 -0.05 0.00 -1.74 0.00 0.00 68.15 68.09 1nfj h THR 20 CO -0.16 0.15 0.65 -0.07 0.37 0.00 0.00 175.52 176.45 1nfj h LEU 21 N -0.24 1.15 -0.11 2.58 3.38 -0.01 -2.33 115.31 119.72 1nfj h LEU 21 Ca -0.00 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1nfj h LEU 21 Cb 0.24 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1nfj h LEU 21 CO 0.00 0.84 -0.15 0.74 0.09 0.00 0.00 178.44 179.96 1nfj h THR 22 N 1.35 0.61 -0.19 0.22 2.02 0.52 0.11 112.91 117.54 1nfj h THR 22 Ca 0.36 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.56 1nfj h THR 22 Cb -0.14 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1nfj h THR 22 CO -0.08 0.00 0.07 1.56 0.37 0.00 0.00 175.52 177.44 1nfj h GLN 23 N -0.19 0.16 -0.12 6.66 1.08 -1.20 0.17 115.11 121.66 1nfj h GLN 23 Ca 0.09 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.29 1nfj h GLN 23 Cb 0.32 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1nfj h GLN 23 CO -0.23 0.11 0.08 -0.07 -0.95 0.00 0.00 178.83 177.77 1nfj h LEU 24 N 0.16 0.10 -0.40 1.46 3.38 -1.06 -0.72 115.31 118.23 1nfj h LEU 24 Ca 0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1nfj h LEU 24 Cb 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1nfj h LEU 24 CO -0.08 0.07 -0.34 0.59 0.09 0.00 0.00 178.44 178.77 1nfj n ASN 25 N -4.52 0.96 -1.31 -0.43 3.02 -0.01 -4.11 115.26 108.87 1nfj n ASN 25 Ca -0.01 -0.79 -0.03 0.00 -0.03 0.00 0.00 54.58 53.73 1nfj n ASN 25 Cb 0.12 0.20 0.23 0.00 -0.61 0.00 0.00 39.78 39.72 1nfj n ASN 25 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1nfj n GLU 26 N -0.82 2.44 -0.08 3.52 4.07 0.52 -4.92 120.64 125.36 1nfj n GLU 26 Ca 0.10 -3.05 0.00 0.00 -0.06 0.00 0.00 57.16 54.15 1nfj n GLU 26 Cb 0.35 -1.92 0.00 0.00 -0.06 0.00 0.00 31.44 29.81 1nfj n GLU 26 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1nfj n GLY 27 N -0.83 0.98 3.42 8.31 0.00 -1.20 -4.99 105.19 110.87 1nfj n GLY 27 Ca 0.34 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 1nfj n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfj s ALA 28 N -2.00 2.85 -0.40 4.61 0.00 -0.97 -4.98 121.76 120.88 1nfj s ALA 28 Ca 0.00 -0.92 0.23 0.00 0.00 0.00 0.00 51.96 51.27 1nfj s ALA 28 Cb 0.00 -1.50 0.19 0.00 0.00 0.00 0.00 23.12 21.80 1nfj s ALA 28 CO 0.00 0.07 1.25 -0.44 0.00 0.00 0.00 175.76 176.64 1nfj h ASP 29 N 7.05 0.00 -5.00 0.00 5.19 -1.88 -3.40 116.42 118.37 1nfj h ASP 29 Ca -0.32 -0.05 -0.15 0.00 -0.62 0.00 0.00 57.03 55.89 1nfj h ASP 29 Cb 1.19 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.50 1nfj h ASP 29 CO 0.60 0.03 -0.57 -1.61 -3.12 0.00 0.00 179.24 174.57 1nfj s GLU 30 N -3.27 0.45 -0.06 3.56 2.02 -1.26 -1.23 118.70 118.90 1nfj s GLU 30 Ca 0.03 -0.54 -0.05 0.00 0.02 0.00 0.00 54.97 54.43 1nfj s GLU 30 Cb 0.10 0.18 0.02 0.00 0.10 0.00 0.00 34.13 34.53 1nfj s GLU 30 CO 0.74 -0.10 0.16 0.08 0.02 0.00 0.00 175.26 176.16 1nfj s VAL 31 N -1.65 -0.01 -0.22 2.63 1.01 -0.49 -4.41 120.40 117.26 1nfj s VAL 31 Ca -0.13 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 1nfj s VAL 31 Cb -0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 1nfj s VAL 31 CO -0.00 0.02 0.04 -0.69 0.00 0.00 0.00 175.10 174.46 1nfj s VAL 32 N 0.39 4.24 -0.19 2.92 1.01 -0.22 -0.53 120.40 128.01 1nfj s VAL 32 Ca -0.03 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 1nfj s VAL 32 Cb -0.04 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 1nfj s VAL 32 CO -0.02 0.40 0.23 -0.63 0.00 0.00 0.00 175.10 175.08 1nfj s ILE 33 N 1.13 5.33 0.12 2.22 1.01 0.95 -0.69 121.20 131.28 1nfj s ILE 33 Ca 0.04 0.38 0.07 0.00 0.00 0.00 0.00 60.65 61.14 1nfj s ILE 33 Cb -0.14 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1nfj s ILE 33 CO 0.02 0.38 -0.16 -0.54 0.00 0.00 0.00 174.94 174.64 1nfj s LYS 34 N 0.68 1.07 0.01 2.79 1.02 -0.44 0.25 119.74 125.12 1nfj s LYS 34 Ca 0.12 -1.23 -0.29 0.00 0.02 0.00 0.00 55.97 54.59 1nfj s LYS 34 Cb -0.13 -1.06 0.10 0.00 -0.52 0.00 0.00 37.83 36.22 1nfj s LYS 34 CO 0.03 0.22 0.99 0.00 -0.92 0.00 0.00 175.35 175.67 1nfj s ALA 35 N -1.88 -1.86 0.10 5.17 0.00 -1.01 -0.23 121.76 122.05 1nfj s ALA 35 Ca 0.09 0.83 0.02 0.00 0.00 0.00 0.00 51.96 52.91 1nfj s ALA 35 Cb -0.06 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1nfj s ALA 35 CO 0.04 -0.80 -0.07 -0.98 0.00 0.00 0.00 175.76 173.94 1nfj s ARG 36 N -2.99 0.86 3.92 0.00 1.70 -1.26 -1.53 118.95 119.65 1nfj s ARG 36 Ca 0.08 -1.32 0.00 0.00 -0.47 0.00 0.00 55.73 54.02 1nfj s ARG 36 Cb -0.01 -0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.07 1nfj s ARG 36 CO -0.05 0.01 0.00 0.41 -1.08 0.00 0.00 175.30 174.59 1nfj n GLY 37 N 0.02 2.42 0.20 3.88 0.00 0.45 -1.80 105.19 110.37 1nfj n GLY 37 Ca -0.12 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 45.72 1nfj n GLY 37 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nfj h ARG 38 N 0.00 0.00 0.00 1.61 3.08 -1.98 -1.19 114.38 115.90 1nfj h ARG 38 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nfj h ARG 38 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1nfj h ARG 38 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 1nfj h ALA 39 N 2.05 1.00 -0.63 0.04 0.00 -1.68 -3.15 119.26 116.89 1nfj h ALA 39 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1nfj h ALA 39 Cb 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 1nfj h ALA 39 CO 0.00 0.00 0.26 0.82 0.00 0.00 0.00 179.25 180.33 1nfj h ILE 40 N 0.00 0.79 -0.55 0.00 2.04 -1.28 -0.02 117.51 118.49 1nfj h ILE 40 Ca 0.00 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 65.78 1nfj h ILE 40 Cb 0.58 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 1nfj h ILE 40 CO 0.00 0.08 0.22 0.28 0.00 0.00 0.00 178.15 178.73 1nfj h SER 41 N 0.45 0.25 -0.52 1.72 0.02 -1.77 -1.40 113.55 112.30 1nfj h SER 41 Ca 0.32 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.27 1nfj h SER 41 Cb 0.38 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 1nfj h SER 41 CO -0.30 0.17 0.13 -0.09 -1.14 0.00 0.00 176.83 175.60 1nfj h ARG 42 N 0.42 0.89 -0.57 3.45 2.43 -1.31 -2.29 114.38 117.39 1nfj h ARG 42 Ca 0.26 -0.19 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1nfj h ARG 42 Cb 0.27 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 1nfj h ARG 42 CO -0.25 0.80 0.32 0.00 -1.51 0.00 0.00 179.97 179.34 1nfj h ALA 43 N 1.29 0.74 -0.64 2.80 0.00 -0.00 0.54 119.26 123.99 1nfj h ALA 43 Ca 0.18 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1nfj h ALA 43 Cb 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1nfj h ALA 43 CO 0.00 0.01 0.15 0.28 0.00 0.00 0.00 179.25 179.69 1nfj h VAL 44 N 0.62 1.25 -0.52 0.00 2.07 -1.11 -1.83 116.25 116.72 1nfj h VAL 44 Ca 0.24 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1nfj h VAL 44 Cb 0.10 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1nfj h VAL 44 CO -0.14 0.35 0.31 0.44 0.02 0.00 0.00 177.57 178.55 1nfj h ASP 45 N 0.96 0.63 -0.08 0.57 3.32 -0.73 -0.54 116.42 120.55 1nfj h ASP 45 Ca 0.20 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.21 1nfj h ASP 45 Cb 0.35 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1nfj h ASP 45 CO 0.00 0.51 -0.05 0.58 -1.72 0.00 0.00 179.24 178.56 1nfj h VAL 46 N 0.70 0.85 -0.86 -1.35 2.07 -0.56 0.92 116.25 118.03 1nfj h VAL 46 Ca 0.19 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.75 1nfj h VAL 46 Cb -0.01 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1nfj h VAL 46 CO -0.03 0.00 0.55 0.00 0.02 0.00 0.00 177.57 178.10 1nfj h ALA 47 N 1.02 1.15 -0.32 1.67 0.00 -1.01 -1.39 119.26 120.38 1nfj h ALA 47 Ca 0.05 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1nfj h ALA 47 Cb 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1nfj h ALA 47 CO -0.11 0.36 -0.21 0.93 0.00 0.00 0.00 179.25 180.22 1nfj h GLU 48 N 1.04 0.70 -0.41 0.00 4.39 -0.60 -2.48 114.58 117.22 1nfj h GLU 48 Ca 0.35 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1nfj h GLU 48 Cb 0.06 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1nfj h GLU 48 CO -0.13 0.94 0.16 0.82 -1.16 0.00 0.00 179.01 179.63 1nfj h ILE 49 N 0.46 1.20 0.16 3.13 2.04 -0.55 0.81 117.51 124.76 1nfj h ILE 49 Ca 0.06 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 1nfj h ILE 49 Cb 0.76 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1nfj h ILE 49 CO 0.06 0.23 -0.12 0.58 0.00 0.00 0.00 178.15 178.89 1nfj h VAL 50 N 0.52 0.73 0.00 1.67 2.07 -1.27 -2.11 116.25 117.86 1nfj h VAL 50 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1nfj h VAL 50 Cb 0.20 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1nfj h VAL 50 CO -0.01 0.00 0.00 0.08 0.02 0.00 0.00 177.57 177.66 1nfj h ARG 51 N -0.29 0.00 0.00 1.57 0.11 -1.40 0.71 114.38 115.08 1nfj h ARG 51 Ca -0.01 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.89 1nfj h ARG 51 Cb 0.26 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.31 1nfj h ARG 51 CO -0.01 0.00 -1.24 0.09 0.10 0.00 0.00 179.97 178.91 1nfj n ASN 52 N -2.63 1.87 -0.02 0.08 5.03 0.27 -3.62 115.26 116.24 1nfj n ASN 52 Ca 0.05 0.46 0.04 0.00 0.87 0.00 0.00 54.58 56.00 1nfj n ASN 52 Cb 0.46 -0.90 -0.04 0.00 -1.02 0.00 0.00 39.78 38.28 1nfj n ASN 52 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 1nfj n ARG 53 N -4.46 4.03 -0.06 3.52 1.85 -0.80 -4.60 116.66 116.13 1nfj n ARG 53 Ca -0.27 -0.06 -0.07 0.00 -1.00 0.00 0.00 57.85 56.45 1nfj n ARG 53 Cb 0.58 -0.91 -0.07 0.00 -1.05 0.00 0.00 32.46 31.02 1nfj n ARG 53 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1nfj n PHE 54 N -1.10 0.00 -3.14 2.89 3.01 -1.14 -4.88 117.46 113.11 1nfj n PHE 54 Ca 0.02 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.29 1nfj n PHE 54 Cb 0.14 -0.50 -0.03 0.00 -0.01 0.00 0.00 39.48 39.07 1nfj n PHE 54 CO 0.00 0.00 0.00 -0.12 1.01 0.00 0.00 176.76 177.65 1nfj n MET 55 N -2.65 0.90 -1.66 -1.08 1.56 0.25 -5.02 117.12 109.41 1nfj n MET 55 Ca -0.20 -3.16 -0.39 0.00 -0.27 0.00 0.00 57.70 53.68 1nfj n MET 55 Cb 0.79 -1.51 0.04 0.00 2.15 0.00 0.00 33.22 34.68 1nfj n MET 55 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1nfj n PRO 56 N 0.63 1.23 0.00 2.12 -0.04 -1.24 -1.90 135.00 135.81 1nfj n PRO 56 Ca 0.22 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 1nfj n PRO 56 Cb 0.63 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 1nfj n PRO 56 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nfj n GLY 57 N 1.10 2.23 3.73 0.55 0.00 -1.26 -5.05 105.19 106.49 1nfj n GLY 57 Ca 0.12 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1nfj n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nfj s VAL 58 N -1.21 3.14 0.25 1.61 1.01 -0.80 -4.83 120.40 119.57 1nfj s VAL 58 Ca 0.00 0.90 0.10 0.00 0.00 0.00 0.00 61.98 62.98 1nfj s VAL 58 Cb 0.00 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1nfj s VAL 58 CO 0.00 0.11 -0.03 -0.54 0.00 0.00 0.00 175.10 174.64 1nfj s LYS 59 N 0.25 2.22 -0.50 2.72 1.02 0.16 -4.85 119.74 120.76 1nfj s LYS 59 Ca 0.60 -1.42 -0.23 0.00 0.02 0.00 0.00 55.97 54.95 1nfj s LYS 59 Cb -0.38 -2.14 0.04 0.00 -0.52 0.00 0.00 37.83 34.84 1nfj s LYS 59 CO 0.36 0.37 0.80 0.08 -0.92 0.00 0.00 175.35 176.05 1nfj s VAL 60 N -2.24 4.61 0.08 3.17 1.01 -1.26 -0.22 120.40 125.55 1nfj s VAL 60 Ca 0.30 0.16 -0.10 0.00 0.00 0.00 0.00 61.98 62.35 1nfj s VAL 60 Cb -0.07 -4.39 -0.25 0.00 0.00 0.00 0.00 36.38 31.67 1nfj s VAL 60 CO 0.19 -0.88 1.18 0.50 0.00 0.00 0.00 175.10 176.09 1nfj h LYS 61 N 9.10 0.52 -1.63 2.72 3.64 -0.78 -3.48 116.57 126.66 1nfj h LYS 61 Ca -0.26 -0.66 0.06 0.00 -1.27 0.00 0.00 60.65 58.53 1nfj h LYS 61 Cb 1.08 0.21 -0.23 0.00 -0.41 0.00 0.00 32.23 32.89 1nfj h LYS 61 CO 1.01 1.27 0.49 -2.00 -2.27 0.00 0.00 179.45 177.94 1nfj s GLU 62 N -3.05 0.65 -0.04 1.90 2.12 -1.22 -4.99 118.70 114.06 1nfj s GLU 62 Ca -0.07 0.21 0.02 0.00 0.36 0.00 0.00 54.97 55.49 1nfj s GLU 62 Cb 0.07 0.31 0.01 0.00 0.26 0.00 0.00 34.13 34.77 1nfj s GLU 62 CO 0.91 -0.19 -0.10 0.42 -0.54 0.00 0.00 175.26 175.75 1nfj s ILE 63 N -0.98 0.93 -0.03 -3.70 1.01 -1.26 -0.94 121.20 116.23 1nfj s ILE 63 Ca -0.03 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.24 1nfj s ILE 63 Cb -0.01 -0.85 0.01 0.00 0.01 0.00 0.00 42.46 41.62 1nfj s ILE 63 CO 0.02 0.30 -0.07 -0.75 0.00 0.00 0.00 174.94 174.43 1nfj s LYS 64 N 0.46 0.91 0.18 2.79 2.20 -0.27 -4.97 119.74 121.02 1nfj s LYS 64 Ca -0.09 -0.24 0.10 0.00 -0.36 0.00 0.00 55.97 55.39 1nfj s LYS 64 Cb -0.12 -0.85 -0.04 0.00 -1.51 0.00 0.00 37.83 35.30 1nfj s LYS 64 CO 0.02 0.05 -0.19 0.96 -0.36 0.00 0.00 175.35 175.82 1nfj s ILE 65 N 0.41 2.66 0.00 5.43 -4.36 -1.26 -0.60 121.20 123.47 1nfj s ILE 65 Ca -0.06 -1.85 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 1nfj s ILE 65 Cb -0.10 -2.28 0.00 0.00 1.25 0.00 0.00 42.46 41.33 1nfj s ILE 65 CO 0.01 -0.08 0.00 -0.67 0.24 0.00 0.00 174.94 174.44 1nfj n ASP 66 N 0.29 0.00 -3.90 4.36 -0.08 -0.78 -4.99 116.55 111.45 1nfj n ASP 66 Ca -0.13 -0.90 -0.18 0.00 -1.51 0.00 0.00 54.79 52.07 1nfj n ASP 66 Cb 0.55 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.85 1nfj n ASP 66 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1nfj s THR 67 N -2.99 0.45 -0.10 5.18 2.01 -1.26 -1.49 115.64 117.43 1nfj s THR 67 Ca 0.00 -0.11 0.01 0.00 0.31 0.00 0.00 61.69 61.90 1nfj s THR 67 Cb 0.00 -0.46 -0.02 0.00 0.01 0.00 0.00 72.50 72.03 1nfj s THR 67 CO 0.00 0.19 -0.12 -0.70 -0.69 0.00 0.00 174.62 173.30 1nfj s GLU 68 N 0.69 3.07 -0.35 4.92 2.12 0.56 -4.94 118.70 124.77 1nfj s GLU 68 Ca -0.09 -0.65 -0.20 0.00 0.36 0.00 0.00 54.97 54.39 1nfj s GLU 68 Cb -0.12 -2.58 0.00 0.00 0.26 0.00 0.00 34.13 31.69 1nfj s GLU 68 CO -0.00 0.40 0.64 -2.00 -0.54 0.00 0.00 175.26 173.76 1nfj s GLU 69 N -0.13 3.71 0.65 4.30 2.12 -1.26 -1.22 118.70 126.87 1nfj s GLU 69 Ca -0.00 0.10 -0.11 0.00 0.36 0.00 0.00 54.97 55.31 1nfj s GLU 69 Cb -0.13 -3.80 -0.02 0.00 0.26 0.00 0.00 34.13 30.44 1nfj s GLU 69 CO 0.03 -0.71 1.05 -0.51 -0.54 0.00 0.00 175.26 174.58 1nfj s LEU 70 N 2.70 3.13 0.42 2.70 1.43 0.27 -4.98 118.68 124.35 1nfj s LEU 70 Ca 0.25 1.36 -0.26 0.00 -1.03 0.00 0.00 54.13 54.44 1nfj s LEU 70 Cb -0.14 -4.33 -0.10 0.00 0.03 0.00 0.00 46.19 41.65 1nfj s LEU 70 CO 0.14 -1.04 1.44 -0.62 0.23 0.00 0.00 176.35 176.51 1nfj n GLU 71 N -2.85 2.41 -1.78 1.70 4.71 -1.26 -4.09 120.64 119.49 1nfj n GLU 71 Ca 0.06 0.85 -0.37 0.00 -0.01 0.00 0.00 57.16 57.70 1nfj n GLU 71 Cb 0.55 -2.63 0.06 0.00 -1.01 0.00 0.00 31.44 28.42 1nfj n GLU 71 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1nfj s SER 72 N -0.33 4.68 -0.03 1.62 1.04 -1.26 -4.63 113.70 114.80 1nfj s SER 72 Ca 0.58 2.57 -0.00 0.00 0.48 0.00 0.00 55.95 59.58 1nfj s SER 72 Cb -0.47 -2.61 0.03 0.00 0.10 0.00 0.00 66.02 63.07 1nfj s SER 72 CO 0.60 -1.95 0.03 -1.61 0.98 0.00 0.00 173.24 171.29 1nfj s GLU 73 N -3.39 0.06 -1.34 4.02 0.41 -0.62 -4.80 118.70 113.04 1nfj s GLU 73 Ca 0.81 0.20 -0.08 0.00 -0.41 0.00 0.00 54.97 55.49 1nfj s GLU 73 Cb -0.36 -0.40 0.06 0.00 -1.78 0.00 0.00 34.13 31.65 1nfj s GLU 73 CO 0.39 -0.20 0.51 1.04 -0.49 0.00 0.00 175.26 176.51 1nfj n GLN 74 N 4.47 -3.72 -1.88 1.61 6.02 -1.26 -2.01 117.38 120.61 1nfj n GLN 74 Ca -0.21 0.57 -0.02 0.00 -0.01 0.00 0.00 57.00 57.32 1nfj n GLN 74 Cb 0.50 -5.31 -0.00 0.00 1.02 0.00 0.00 30.24 26.45 1nfj n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nfj n GLY 75 N -1.25 0.32 3.10 1.08 0.00 -1.26 -5.05 105.19 102.13 1nfj n GLY 75 Ca -0.04 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 1nfj n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nfj s ARG 76 N -3.80 0.23 -0.37 1.61 3.52 -0.85 -5.11 118.95 114.19 1nfj s ARG 76 Ca 0.00 0.72 -0.19 0.00 -0.13 0.00 0.00 55.73 56.13 1nfj s ARG 76 Cb 0.00 -0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.38 1nfj s ARG 76 CO 0.00 -0.22 0.57 1.03 -0.81 0.00 0.00 175.30 175.87 1nfj s ARG 77 N 1.90 3.59 0.21 5.12 0.52 -1.26 -1.58 118.95 127.44 1nfj s ARG 77 Ca -0.04 -0.12 -0.14 0.00 -0.52 0.00 0.00 55.73 54.91 1nfj s ARG 77 Cb -0.11 -3.83 -0.08 0.00 0.52 0.00 0.00 34.95 31.46 1nfj s ARG 77 CO -0.10 -0.73 0.61 -1.54 0.02 0.00 0.00 175.30 173.56 1nfj s SER 78 N 1.80 6.78 -0.13 0.23 1.04 -1.26 -4.83 113.70 117.34 1nfj s SER 78 Ca 0.21 1.11 -0.08 0.00 0.48 0.00 0.00 55.95 57.67 1nfj s SER 78 Cb -0.15 -2.30 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 1nfj s SER 78 CO 0.15 -0.02 0.16 0.20 0.98 0.00 0.00 173.24 174.71 1nfj s ASN 79 N -2.01 6.38 0.02 7.02 0.01 -1.26 -0.56 114.94 124.53 1nfj s ASN 79 Ca 0.44 0.45 0.03 0.00 -0.71 0.00 0.00 52.86 53.08 1nfj s ASN 79 Cb -0.13 -2.09 -0.01 0.00 0.41 0.00 0.00 41.25 39.42 1nfj s ASN 79 CO 0.20 0.34 -0.11 0.68 -1.51 0.00 0.00 177.10 176.70 1nfj s VAL 80 N -0.67 0.84 0.47 1.60 -7.23 -0.36 -4.97 120.40 110.08 1nfj s VAL 80 Ca 0.14 -0.71 -0.19 0.00 -1.81 0.00 0.00 61.98 59.41 1nfj s VAL 80 Cb -0.12 -0.75 -0.09 0.00 0.56 0.00 0.00 36.38 35.97 1nfj s VAL 80 CO 0.03 0.05 0.96 -0.44 -0.31 0.00 0.00 175.10 175.39 1nfj s SER 81 N -0.75 6.79 0.06 4.85 0.01 -1.26 -0.33 113.70 123.07 1nfj s SER 81 Ca 0.01 1.62 0.01 0.00 1.31 0.00 0.00 55.95 58.90 1nfj s SER 81 Cb -0.06 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 1nfj s SER 81 CO 0.00 -0.46 -0.06 0.42 0.41 0.00 0.00 173.24 173.55 1nfj s THR 82 N -2.38 0.51 0.03 1.44 -4.23 -0.56 -0.41 115.64 110.04 1nfj s THR 82 Ca 0.60 -1.42 0.02 0.00 -1.18 0.00 0.00 61.69 59.71 1nfj s THR 82 Cb -0.09 -1.02 -0.02 0.00 1.34 0.00 0.00 72.50 72.71 1nfj s THR 82 CO 0.22 -0.62 -0.07 -0.51 -0.54 0.00 0.00 174.62 173.10 1nfj s ILE 83 N -2.39 0.45 -0.07 2.99 2.07 -0.58 -1.87 121.20 121.81 1nfj s ILE 83 Ca -0.02 -0.89 0.01 0.00 -1.41 0.00 0.00 60.65 58.34 1nfj s ILE 83 Cb -0.03 -0.50 0.02 0.00 0.13 0.00 0.00 42.46 42.08 1nfj s ILE 83 CO -0.03 -0.31 -0.06 -1.61 -1.91 0.00 0.00 174.94 171.03 1nfj s GLU 84 N -1.28 1.14 -0.19 3.50 2.02 0.23 -2.42 118.70 121.69 1nfj s GLU 84 Ca -0.09 -0.17 0.01 0.00 0.02 0.00 0.00 54.97 54.74 1nfj s GLU 84 Cb -0.08 -1.14 0.03 0.00 0.10 0.00 0.00 34.13 33.04 1nfj s GLU 84 CO 0.00 -0.13 -0.14 0.42 0.02 0.00 0.00 175.26 175.43 1nfj s ILE 85 N 1.17 1.86 -0.25 -1.63 1.01 0.14 -1.11 121.20 122.39 1nfj s ILE 85 Ca -0.06 -1.02 -0.15 0.00 0.00 0.00 0.00 60.65 59.41 1nfj s ILE 85 Cb -0.14 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 1nfj s ILE 85 CO -0.01 0.32 0.38 -0.69 0.00 0.00 0.00 174.94 174.94 1nfj s VAL 86 N 1.33 5.18 -0.13 2.92 1.01 -0.11 -0.04 120.40 130.56 1nfj s VAL 86 Ca 0.01 0.62 -0.05 0.00 0.00 0.00 0.00 61.98 62.55 1nfj s VAL 86 Cb -0.15 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1nfj s VAL 86 CO -0.10 0.19 0.05 -0.76 0.00 0.00 0.00 175.10 174.48 1nfj s LEU 87 N 1.84 3.82 0.02 3.92 1.43 0.31 -0.01 118.68 130.00 1nfj s LEU 87 Ca 0.16 0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.49 1nfj s LEU 87 Cb -0.15 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 1nfj s LEU 87 CO 0.09 0.30 -0.17 0.00 0.23 0.00 0.00 176.35 176.80 1nfj s ALA 88 N -0.39 1.42 -1.52 4.21 0.00 0.69 -1.39 121.76 124.79 1nfj s ALA 88 Ca 0.09 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1nfj s ALA 88 Cb -0.12 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.70 1nfj s ALA 88 CO 0.02 0.32 0.38 1.63 0.00 0.00 0.00 175.76 178.11