#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fnj h ASP 3 N 0.00 -1.14 -0.88 6.41 3.45 -2.05 -1.71 116.42 120.51 3fnj h ASP 3 Ca 0.00 0.09 0.14 0.00 0.43 0.00 0.00 57.03 57.69 3fnj h ASP 3 Cb 0.00 0.38 -0.09 0.00 -0.56 0.00 0.00 39.33 39.05 3fnj h ASP 3 CO 0.00 -0.58 0.49 0.11 -1.57 0.00 0.00 179.24 177.68 3fnj h LYS 4 N -0.88 0.69 -0.52 3.56 1.57 -2.05 0.51 116.57 119.45 3fnj h LYS 4 Ca -0.04 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 3fnj h LYS 4 Cb 0.77 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 3fnj h LYS 4 CO -0.05 0.46 0.18 0.87 -0.57 0.00 0.00 179.45 180.34 3fnj h LYS 5 N 0.71 0.80 0.00 3.15 1.57 -1.95 0.14 116.57 120.99 3fnj h LYS 5 Ca 0.47 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 59.00 3fnj h LYS 5 Cb 0.62 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3fnj h LYS 5 CO -0.33 0.73 -0.42 0.82 -0.57 0.00 0.00 179.45 179.68 3fnj h ILE 6 N 0.71 1.05 0.09 1.86 2.04 -0.28 -0.37 117.51 122.62 3fnj h ILE 6 Ca 0.17 -1.57 -0.00 0.00 1.00 0.00 0.00 64.86 64.46 3fnj h ILE 6 Cb 0.25 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 3fnj h ILE 6 CO -0.01 0.41 -0.05 -0.08 0.00 0.00 0.00 178.15 178.42 3fnj h GLU 7 N 0.00 -0.12 -0.39 2.37 4.57 0.46 -2.14 114.58 119.33 3fnj h GLU 7 Ca -0.00 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3fnj h GLU 7 Cb 0.88 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.47 3fnj h GLU 7 CO 0.05 0.35 0.22 1.25 -1.18 0.00 0.00 179.01 179.70 3fnj h LEU 8 N -0.66 0.48 -0.77 1.64 5.85 -0.61 -2.25 115.31 118.98 3fnj h LEU 8 Ca -0.01 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 3fnj h LEU 8 Cb 0.52 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 3fnj h LEU 8 CO 0.02 0.41 0.37 -0.07 -0.34 0.00 0.00 178.44 178.83 3fnj h LEU 9 N 0.50 1.01 -0.35 2.25 3.38 -1.14 0.60 115.31 121.57 3fnj h LEU 9 Ca 0.14 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3fnj h LEU 9 Cb 0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3fnj h LEU 9 CO -0.02 0.87 -0.04 0.74 0.09 0.00 0.00 178.44 180.08 3fnj h THR 10 N 1.09 1.27 -0.12 0.22 2.02 -1.24 -1.48 112.91 114.67 3fnj h THR 10 Ca 0.26 -1.05 -0.12 0.00 0.77 0.00 0.00 66.41 66.28 3fnj h THR 10 Cb 0.12 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3fnj h THR 10 CO -0.03 0.35 -0.38 0.74 0.37 0.00 0.00 175.52 176.56 3fnj h THR 11 N 0.45 1.37 -0.12 3.16 2.02 -1.33 -2.79 112.91 115.67 3fnj h THR 11 Ca 0.10 -1.69 0.02 0.00 0.77 0.00 0.00 66.41 65.60 3fnj h THR 11 Cb 0.51 2.13 -0.02 0.00 -1.74 0.00 0.00 68.15 69.03 3fnj h THR 11 CO 0.03 0.50 -0.01 0.22 0.37 0.00 0.00 175.52 176.63 3fnj h TYR 12 N 0.06 -0.03 0.00 3.16 3.20 -0.90 -2.58 116.97 119.87 3fnj h TYR 12 Ca -0.01 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3fnj h TYR 12 Cb 1.01 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 3fnj h TYR 12 CO 0.11 -0.03 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.35 3fnj h LEU 13 N 0.02 0.00 -0.33 2.82 3.38 -1.32 -1.68 115.31 118.21 3fnj h LEU 13 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3fnj h LEU 13 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3fnj h LEU 13 CO -0.11 0.18 0.00 -1.54 0.09 0.00 0.00 178.44 177.06 3fnj n SER 14 N -4.03 0.27 -0.04 -0.43 3.41 -0.98 -2.02 113.62 109.80 3fnj n SER 14 Ca -0.02 0.57 -0.13 0.00 -0.26 0.00 0.00 58.87 59.04 3fnj n SER 14 Cb 0.26 -0.63 -0.00 0.00 -0.26 0.00 0.00 64.21 63.58 3fnj n SER 14 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3fnj h LEU 15 N 0.00 0.82-10.57 1.04 3.38 -1.27 -3.46 115.31 105.26 3fnj h LEU 15 Ca 0.00 -0.44 -0.45 0.00 0.09 0.00 0.00 57.88 57.07 3fnj h LEU 15 Cb 0.26 -0.24 0.07 0.00 0.09 0.00 0.00 40.66 40.84 3fnj h LEU 15 CO 0.00 1.21 0.16 -0.31 0.09 0.00 0.00 178.44 179.59 3fnj s TYR 16 N -4.06 2.80 -0.01 1.13 1.51 -0.86 -0.87 117.35 116.99 3fnj s TYR 16 Ca -0.09 0.28 0.00 0.00 -1.01 0.00 0.00 57.07 56.26 3fnj s TYR 16 Cb 0.11 -3.10 0.02 0.00 -0.11 0.00 0.00 41.96 38.87 3fnj s TYR 16 CO 0.87 -1.32 0.01 -1.50 -1.11 0.00 0.00 175.55 172.49 3fnj s ILE 17 N -3.14 0.05 0.15 2.71 2.07 -0.50 -4.70 121.20 117.85 3fnj s ILE 17 Ca 0.60 0.08 -0.34 0.00 -1.41 0.00 0.00 60.65 59.58 3fnj s ILE 17 Cb -0.10 -0.13 -0.15 0.00 0.13 0.00 0.00 42.46 42.21 3fnj s ILE 17 CO 0.43 0.08 1.43 -0.67 -1.91 0.00 0.00 174.94 174.30 3fnj n ASP 18 N 3.73 2.39 0.23 4.50 -0.08 -1.26 -2.35 116.55 123.71 3fnj n ASP 18 Ca -0.22 1.11 0.10 0.00 -1.51 0.00 0.00 54.79 54.28 3fnj n ASP 18 Cb 0.54 -1.33 0.56 0.00 2.34 0.00 0.00 41.12 43.23 3fnj n ASP 18 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 3fnj h HIS 19 N 4.90 0.00 -0.37 -0.67 2.07 -1.97 -2.74 115.15 116.38 3fnj h HIS 19 Ca -0.46 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 56.94 3fnj h HIS 19 Cb 1.29 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.26 3fnj h HIS 19 CO 0.60 0.20 -0.27 1.25 -3.07 0.00 0.00 177.93 176.64 3fnj h HIS 20 N 0.00 0.88 -0.14 6.12 6.17 -1.95 -2.53 115.15 123.70 3fnj h HIS 20 Ca -0.00 -0.22 -0.06 0.00 0.71 0.00 0.00 60.37 60.80 3fnj h HIS 20 Cb 0.58 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 30.30 3fnj h HIS 20 CO 0.00 0.95 -0.19 1.15 0.71 0.00 0.00 177.93 180.55 3fnj h THR 21 N 0.66 1.21 -0.19 6.26 2.02 -1.86 -0.40 112.91 120.60 3fnj h THR 21 Ca 0.08 -0.95 -0.19 0.00 0.77 0.00 0.00 66.41 66.12 3fnj h THR 21 Cb 0.79 1.32 0.01 0.00 -1.74 0.00 0.00 68.15 68.53 3fnj h THR 21 CO 0.07 0.29 -0.63 0.58 0.37 0.00 0.00 175.52 176.20 3fnj h VAL 22 N 0.22 1.29 -0.22 3.16 2.07 -1.49 -3.04 116.25 118.23 3fnj h VAL 22 Ca 0.04 -1.84 -0.09 0.00 0.82 0.00 0.00 66.70 65.64 3fnj h VAL 22 Cb 0.47 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3fnj h VAL 22 CO 0.03 0.58 -0.20 0.25 0.02 0.00 0.00 177.57 178.26 3fnj h LEU 23 N 0.49 0.55 -0.29 2.57 6.46 -1.22 -2.70 115.31 121.18 3fnj h LEU 23 Ca -0.02 -0.47 0.00 0.00 -0.12 0.00 0.00 57.88 57.27 3fnj h LEU 23 Cb 1.25 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 41.03 3fnj h LEU 23 CO 0.13 0.90 0.00 0.00 -0.62 0.00 0.00 178.44 178.86 3fnj n ALA 24 N -2.45 2.19 -0.67 1.25 0.00 -0.18 -2.51 120.51 118.15 3fnj n ALA 24 Ca -0.05 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.46 3fnj n ALA 24 Cb 0.40 -1.00 0.16 0.00 0.00 0.00 0.00 19.45 19.02 3fnj n ALA 24 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3fnj n ASP 25 N -0.32 2.99 0.00 0.00 2.03 -1.02 -4.50 116.55 115.74 3fnj n ASP 25 Ca 0.00 -2.64 0.00 0.00 0.52 0.00 0.00 54.79 52.67 3fnj n ASP 25 Cb 0.05 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 3fnj n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fnj n GLN 27 N -0.50 0.00 -0.22 -0.67 10.64 -1.04 -2.14 117.38 123.44 3fnj n GLN 27 Ca 0.14 0.00 0.06 0.00 -1.83 0.00 0.00 57.00 55.37 3fnj n GLN 27 Cb 0.62 0.00 0.16 0.00 -0.86 0.00 0.00 30.24 30.17 3fnj n GLN 27 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3fnj n ASN 28 N 0.00 3.04 -3.61 2.61 3.02 -1.26 -4.98 115.26 114.08 3fnj n ASN 28 Ca 0.00 -2.26 -0.26 0.00 -0.03 0.00 0.00 54.58 52.03 3fnj n ASN 28 Cb 0.00 -0.29 -0.05 0.00 -0.61 0.00 0.00 39.78 38.84 3fnj n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fnj n ALA 29 N 0.13 -1.03 0.23 5.41 0.00 -1.18 -4.76 120.51 119.32 3fnj n ALA 29 Ca 0.13 -0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3fnj n ALA 29 Cb 0.52 -1.66 0.39 0.00 0.00 0.00 0.00 19.45 18.70 3fnj n ALA 29 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3fnj h THR 30 N -0.52 0.19 -6.25 0.00 2.02 -1.79 -3.47 112.91 103.08 3fnj h THR 30 Ca -0.36 -0.97 -0.46 0.00 0.77 0.00 0.00 66.41 65.39 3fnj h THR 30 Cb 1.14 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 69.37 3fnj h THR 30 CO 0.54 0.09 -0.81 0.61 0.37 0.00 0.00 175.52 176.32 3fnj n GLY 31 N 0.56 -0.37 0.06 2.16 0.00 -1.25 -4.90 105.19 101.44 3fnj n GLY 31 Ca 0.02 0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.23 3fnj n GLY 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3fnj n LYS 32 N -4.46 0.66 -4.83 1.61 3.00 -1.26 -4.94 118.16 107.94 3fnj n LYS 32 Ca -0.15 -0.06 -0.26 0.00 -0.00 0.00 0.00 58.31 57.83 3fnj n LYS 32 Cb 0.61 -1.58 -0.16 0.00 0.00 0.00 0.00 35.03 33.90 3fnj n LYS 32 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 3fnj s TYR 33 N -3.12 1.76 -0.44 5.64 2.02 -1.26 -4.12 117.35 117.83 3fnj s TYR 33 Ca -0.07 -0.55 -0.10 0.00 -0.37 0.00 0.00 57.07 55.98 3fnj s TYR 33 Cb 0.11 -1.20 0.09 0.00 -0.40 0.00 0.00 41.96 40.55 3fnj s TYR 33 CO 0.86 -0.21 0.29 0.08 -1.57 0.00 0.00 175.55 175.01 3fnj s VAL 34 N 0.17 4.31 0.25 0.71 1.01 0.22 -4.97 120.40 122.10 3fnj s VAL 34 Ca -0.07 -1.46 -0.30 0.00 0.00 0.00 0.00 61.98 60.16 3fnj s VAL 34 Cb -0.13 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 3fnj s VAL 34 CO 0.03 -0.57 1.18 -0.69 0.00 0.00 0.00 175.10 175.05 3fnj s VAL 35 N 1.43 3.37 -0.10 2.92 1.01 -1.26 -1.29 120.40 126.47 3fnj s VAL 35 Ca 0.04 1.28 0.01 0.00 0.00 0.00 0.00 61.98 63.31 3fnj s VAL 35 Cb -0.24 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.35 3fnj s VAL 35 CO 0.02 0.26 -0.13 -0.76 0.00 0.00 0.00 175.10 174.49 3fnj s LEU 36 N -1.01 1.58 -0.74 3.92 1.43 0.23 -2.36 118.68 121.73 3fnj s LEU 36 Ca 0.49 -0.37 -0.20 0.00 -1.03 0.00 0.00 54.13 53.02 3fnj s LEU 36 Cb -0.34 -0.98 0.11 0.00 0.03 0.00 0.00 46.19 45.01 3fnj s LEU 36 CO 0.41 -0.02 0.93 -0.62 0.23 0.00 0.00 176.35 177.29 3fnj s ASP 37 N 1.12 6.36 0.00 2.29 -1.08 -0.33 -2.04 116.67 122.99 3fnj s ASP 37 Ca -0.05 -1.56 0.19 0.00 -0.52 0.00 0.00 52.55 50.60 3fnj s ASP 37 Cb -0.14 -2.37 0.72 0.00 -1.46 0.00 0.00 42.92 39.67 3fnj s ASP 37 CO -0.03 -1.17 1.52 1.33 0.52 0.00 0.00 175.17 177.34 3fnj n VAL 38 N 5.56 0.21 -1.69 1.11 0.24 -1.21 -3.86 118.33 118.67 3fnj n VAL 38 Ca 0.05 -0.30 -0.38 0.00 -2.04 0.00 0.00 64.34 61.66 3fnj n VAL 38 Cb 0.46 0.24 0.05 0.00 -1.47 0.00 0.00 33.84 33.12 3fnj n VAL 38 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3fnj n ARG 39 N 0.16 1.37 0.04 7.34 1.74 -1.26 -0.80 116.66 125.24 3fnj n ARG 39 Ca 0.15 0.51 0.11 0.00 -0.77 0.00 0.00 57.85 57.85 3fnj n ARG 39 Cb 0.28 -2.41 -0.03 0.00 -1.02 0.00 0.00 32.46 29.28 3fnj n ARG 39 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3fnj n ASN 40 N -0.91 0.54 -4.76 0.55 3.02 -1.26 -4.32 115.26 108.12 3fnj n ASN 40 Ca 0.12 -0.07 -0.41 0.00 -0.03 0.00 0.00 54.58 54.19 3fnj n ASN 40 Cb 0.45 0.99 -0.01 0.00 -0.61 0.00 0.00 39.78 40.60 3fnj n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fnj s ALA 41 N -3.30 3.70 1.09 5.41 0.00 -1.26 -4.96 121.76 122.44 3fnj s ALA 41 Ca 0.00 1.56 -0.15 0.00 0.00 0.00 0.00 51.96 53.37 3fnj s ALA 41 Cb 0.13 -3.63 0.15 0.00 0.00 0.00 0.00 23.12 19.77 3fnj s ALA 41 CO 0.83 -0.99 0.50 -2.30 0.00 0.00 0.00 175.76 173.80 3fnj n PRO 42 N 1.75 -1.51 0.06 0.00 -0.02 -1.26 -4.52 135.00 129.50 3fnj n PRO 42 Ca 0.06 -0.41 0.16 0.00 -2.02 0.00 0.00 63.50 61.30 3fnj n PRO 42 Cb 0.38 -1.94 0.66 0.00 -0.02 0.00 0.00 33.50 32.58 3fnj n PRO 42 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fnj h ALA 43 N -2.15 2.33 0.53 3.55 0.00 -1.99 -1.60 119.26 119.93 3fnj h ALA 43 Ca -0.53 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 3fnj h ALA 43 Cb 1.33 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.14 3fnj h ALA 43 CO 0.41 -0.44 -0.25 0.37 0.00 0.00 0.00 179.25 179.34 3fnj h GLN 44 N 0.04 -0.68 -0.59 0.00 -0.00 -1.94 -1.37 115.11 110.57 3fnj h GLN 44 Ca 0.19 0.05 -0.05 0.00 -0.00 0.00 0.00 58.65 58.84 3fnj h GLN 44 Cb 0.71 0.16 -0.02 0.00 0.00 0.00 0.00 27.48 28.32 3fnj h GLN 44 CO -0.01 -0.45 0.16 0.28 0.00 0.00 0.00 178.83 178.82 3fnj h VAL 45 N -0.73 1.25 -0.62 2.39 2.07 -1.71 -3.11 116.25 115.80 3fnj h VAL 45 Ca -0.07 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 3fnj h VAL 45 Cb 0.55 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3fnj h VAL 45 CO 0.12 0.32 0.32 0.11 0.02 0.00 0.00 177.57 178.46 3fnj h LYS 46 N 0.84 0.86 0.00 1.57 1.57 -1.25 -3.46 116.57 116.70 3fnj h LYS 46 Ca 0.19 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3fnj h LYS 46 Cb 0.32 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3fnj h LYS 46 CO -0.00 0.65 0.00 1.63 -0.57 0.00 0.00 179.45 181.16 3fnj n LYS 47 N -4.37 0.00 -4.45 3.15 4.01 -0.52 -4.70 118.16 111.28 3fnj n LYS 47 Ca 0.06 0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.64 3fnj n LYS 47 Cb 0.11 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 34.53 3fnj n LYS 47 CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 3fnj s ASP 48 N -0.97 2.30 0.28 4.39 1.47 -1.26 -2.34 116.67 120.55 3fnj s ASP 48 Ca 0.00 -1.43 -0.02 0.00 1.18 0.00 0.00 52.55 52.29 3fnj s ASP 48 Cb 0.00 0.04 -0.02 0.00 -0.34 0.00 0.00 42.92 42.61 3fnj s ASP 48 CO 0.00 -0.68 0.33 0.00 0.68 0.00 0.00 175.17 175.51 3fnj s GLN 49 N -3.88 1.62 0.29 2.11 -2.07 -0.95 -4.95 119.66 111.82 3fnj s GLN 49 Ca 0.34 -1.70 -0.29 0.00 -1.82 0.00 0.00 55.36 51.90 3fnj s GLN 49 Cb 0.08 0.37 -0.10 0.00 -1.09 0.00 0.00 33.01 32.27 3fnj s GLN 49 CO 0.15 -0.62 1.25 0.42 -1.32 0.00 0.00 175.29 175.17 3fnj s ILE 50 N -3.61 3.01 -0.36 3.63 1.01 -1.26 -2.07 121.20 121.55 3fnj s ILE 50 Ca 0.34 0.98 -0.42 0.00 0.00 0.00 0.00 60.65 61.56 3fnj s ILE 50 Cb 0.02 -3.63 -0.17 0.00 0.01 0.00 0.00 42.46 38.70 3fnj s ILE 50 CO 0.18 0.22 1.78 1.17 0.00 0.00 0.00 174.94 178.29 3fnj n LYS 51 N 1.23 0.79 -3.23 2.79 3.00 -0.97 -1.58 118.16 120.20 3fnj n LYS 51 Ca 0.01 0.28 -0.15 0.00 -0.00 0.00 0.00 58.31 58.45 3fnj n LYS 51 Cb 0.43 -1.95 0.08 0.00 0.00 0.00 0.00 35.03 33.58 3fnj n LYS 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3fnj n GLY 52 N 4.59 -0.24 3.44 3.14 0.00 -1.26 -4.99 105.19 109.86 3fnj n GLY 52 Ca 0.31 0.02 -0.33 0.00 0.00 0.00 0.00 46.02 46.01 3fnj n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fnj s ALA 53 N -3.30 2.79 0.04 4.61 0.00 -0.62 -4.71 121.76 120.58 3fnj s ALA 53 Ca 0.03 -0.87 -0.30 0.00 0.00 0.00 0.00 51.96 50.82 3fnj s ALA 53 Cb -0.02 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 3fnj s ALA 53 CO 0.62 0.29 1.09 0.42 0.00 0.00 0.00 175.76 178.18 3fnj s ILE 54 N 0.18 4.40 0.61 0.00 1.09 -1.00 -4.80 121.20 121.68 3fnj s ILE 54 Ca -0.05 1.75 -0.10 0.00 -1.10 0.00 0.00 60.65 61.15 3fnj s ILE 54 Cb -0.15 -4.12 -0.03 0.00 -1.06 0.00 0.00 42.46 37.10 3fnj s ILE 54 CO 0.04 0.15 1.00 0.00 -0.10 0.00 0.00 174.94 176.03 3fnj s ALA 55 N 0.92 3.13 -0.11 9.38 0.00 -1.26 -1.18 121.76 132.64 3fnj s ALA 55 Ca 0.55 -0.18 -0.07 0.00 0.00 0.00 0.00 51.96 52.26 3fnj s ALA 55 Cb -0.26 -3.00 0.04 0.00 0.00 0.00 0.00 23.12 19.91 3fnj s ALA 55 CO 0.29 -0.68 0.27 -2.14 0.00 0.00 0.00 175.76 173.50 3fnj s PRO 57 N -5.13 0.25 0.64 0.00 0.02 -1.25 -4.94 135.00 124.59 3fnj s PRO 57 Ca 0.54 0.52 0.37 0.00 0.02 0.00 0.00 61.00 62.45 3fnj s PRO 57 Cb -0.11 -0.05 2.04 0.00 0.02 0.00 0.00 34.50 36.41 3fnj s PRO 57 CO 0.52 -0.13 2.21 0.00 -0.33 0.00 0.00 177.00 179.27 3fnj h ALA 58 N 6.84 1.30 -0.00 -1.55 0.00 -1.20 0.22 119.26 124.87 3fnj h ALA 58 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3fnj h ALA 58 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3fnj h ALA 58 CO 0.36 -0.13 -0.11 0.36 0.00 0.00 0.00 179.25 179.73 3fnj n LYS 59 N -3.28 0.54 0.00 0.00 2.85 -1.26 -3.73 118.16 113.28 3fnj n LYS 59 Ca -0.02 -0.17 0.00 0.00 -1.05 0.00 0.00 58.31 57.08 3fnj n LYS 59 Cb 0.19 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.07 3fnj n LYS 59 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3fnj n ASP 60 N -1.08 0.74 -0.18 -5.58 8.00 0.68 -4.80 116.55 114.33 3fnj n ASP 60 Ca 0.13 -1.08 -0.01 0.00 0.71 0.00 0.00 54.79 54.54 3fnj n ASP 60 Cb 0.28 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.47 3fnj n ASP 60 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3fnj h LEU 61 N 0.00 -0.05 0.07 0.64 5.85 -1.36 -1.23 115.31 119.23 3fnj h LEU 61 Ca 0.00 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3fnj h LEU 61 Cb 0.23 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3fnj h LEU 61 CO 0.00 -0.01 -0.04 0.00 -0.34 0.00 0.00 178.44 178.06 3fnj h ALA 62 N 1.44 -0.10 -0.35 1.25 0.00 -1.87 0.28 119.26 119.91 3fnj h ALA 62 Ca 0.28 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.13 3fnj h ALA 62 Cb 0.41 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3fnj h ALA 62 CO -0.38 -0.40 0.41 1.15 0.00 0.00 0.00 179.25 180.02 3fnj h THR 63 N -0.42 0.36 0.00 0.00 2.02 -1.80 -1.20 112.91 111.88 3fnj h THR 63 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3fnj h THR 63 Cb 0.36 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3fnj h THR 63 CO 0.02 0.00 -0.01 0.54 0.37 0.00 0.00 175.52 176.44 3fnj n ARG 64 N -3.67 2.33 0.01 6.66 1.74 -0.49 -4.78 116.66 118.46 3fnj n ARG 64 Ca 0.06 -1.79 0.23 0.00 -0.77 0.00 0.00 57.85 55.58 3fnj n ARG 64 Cb 0.57 -1.13 0.69 0.00 -1.02 0.00 0.00 32.46 31.56 3fnj n ARG 64 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3fnj h ILE 65 N 0.21 0.29 0.00 0.55 -0.00 0.85 0.13 117.51 119.54 3fnj h ILE 65 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 3fnj h ILE 65 Cb 0.68 0.50 0.00 0.00 -0.00 0.00 0.00 36.82 38.01 3fnj h ILE 65 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.76 3fnj n GLY 66 N -1.54 -1.24 0.61 8.18 0.00 -1.26 -2.77 105.19 107.17 3fnj n GLY 66 Ca 0.11 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.22 3fnj n GLY 66 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fnj n GLU 67 N -1.81 1.79 -4.19 1.61 1.02 0.44 -4.87 120.64 114.62 3fnj n GLU 67 Ca 0.04 -1.20 -0.32 0.00 -0.02 0.00 0.00 57.16 55.66 3fnj n GLU 67 Cb 0.24 -1.39 -0.08 0.00 -0.02 0.00 0.00 31.44 30.19 3fnj n GLU 67 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3fnj s LEU 68 N -1.49 3.66 -0.30 -4.62 1.43 -1.11 -5.09 118.68 111.16 3fnj s LEU 68 Ca 0.32 0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.34 3fnj s LEU 68 Cb 0.17 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 3fnj s LEU 68 CO 0.25 0.27 0.20 -0.62 0.23 0.00 0.00 176.35 176.68 3fnj s ASP 69 N -1.71 5.97 0.62 2.29 -1.08 -1.26 -4.97 116.67 116.53 3fnj s ASP 69 Ca 0.22 -0.17 0.33 0.00 -0.52 0.00 0.00 52.55 52.41 3fnj s ASP 69 Cb -0.12 -2.11 1.86 0.00 -1.46 0.00 0.00 42.92 41.09 3fnj s ASP 69 CO 0.13 -0.11 2.15 -0.65 0.52 0.00 0.00 175.17 177.20 3fnj h PRO 70 N 8.40 0.00 -1.44 4.34 0.11 -1.97 -2.90 132.00 138.54 3fnj h PRO 70 Ca -0.34 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.18 3fnj h PRO 70 Cb 1.18 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.05 3fnj h PRO 70 CO 0.58 0.00 0.75 0.00 -0.21 0.00 0.00 178.00 179.12 3fnj n ALA 71 N -2.19 6.11 -2.55 -0.75 0.00 -1.26 -4.58 120.51 115.28 3fnj n ALA 71 Ca -0.01 -3.12 -0.09 0.00 0.00 0.00 0.00 53.44 50.23 3fnj n ALA 71 Cb 0.26 -1.77 -0.07 0.00 0.00 0.00 0.00 19.45 17.86 3fnj n ALA 71 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3fnj s LYS 72 N -3.14 0.85 -0.36 0.00 1.02 -1.10 -5.13 119.74 111.89 3fnj s LYS 72 Ca 0.54 -0.97 -0.10 0.00 0.02 0.00 0.00 55.97 55.45 3fnj s LYS 72 Cb 0.42 0.34 0.02 0.00 -0.52 0.00 0.00 37.83 38.09 3fnj s LYS 72 CO -0.12 -0.27 0.18 0.99 -0.92 0.00 0.00 175.35 175.21 3fnj s THR 73 N -3.87 4.43 0.07 2.17 2.01 -1.26 -4.34 115.64 114.86 3fnj s THR 73 Ca 0.06 -0.84 -0.16 0.00 0.31 0.00 0.00 61.69 61.05 3fnj s THR 73 Cb 0.05 -3.45 -0.06 0.00 0.01 0.00 0.00 72.50 69.05 3fnj s THR 73 CO -0.11 -0.18 0.50 -0.31 -0.69 0.00 0.00 174.62 173.83 3fnj s TYR 74 N 1.54 3.71 -0.16 4.92 2.02 -0.81 -0.61 117.35 127.95 3fnj s TYR 74 Ca 0.02 1.08 0.00 0.00 -0.37 0.00 0.00 57.07 57.80 3fnj s TYR 74 Cb -0.19 -2.36 0.03 0.00 -0.40 0.00 0.00 41.96 39.04 3fnj s TYR 74 CO 0.06 0.56 -0.11 0.08 -1.57 0.00 0.00 175.55 174.57 3fnj s VAL 75 N -1.22 1.48 0.10 0.71 1.01 -0.41 -1.86 120.40 120.20 3fnj s VAL 75 Ca 0.30 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3fnj s VAL 75 Cb -0.17 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3fnj s VAL 75 CO 0.17 0.32 0.26 0.68 0.00 0.00 0.00 175.10 176.53 3fnj s VAL 76 N 1.50 5.34 0.03 2.92 -7.23 -0.19 0.74 120.40 123.52 3fnj s VAL 76 Ca 0.03 -0.45 -0.08 0.00 -1.81 0.00 0.00 61.98 59.67 3fnj s VAL 76 Cb -0.14 -3.67 -0.00 0.00 0.56 0.00 0.00 36.38 33.13 3fnj s VAL 76 CO -0.09 0.04 0.15 -0.72 -0.31 0.00 0.00 175.10 174.17 3fnj s TYR 77 N -1.61 0.10 0.00 2.82 -0.85 -0.87 0.11 117.35 117.05 3fnj s TYR 77 Ca 0.35 -0.31 0.00 0.00 -0.52 0.00 0.00 57.07 56.60 3fnj s TYR 77 Cb -0.12 -0.07 0.00 0.00 0.38 0.00 0.00 41.96 42.15 3fnj s TYR 77 CO 0.28 -0.37 0.00 -3.47 -1.52 0.00 0.00 175.55 170.47 3fnj n ASP 78 N 0.92 1.80 0.16 -0.18 -0.08 -1.26 -3.36 116.55 114.55 3fnj n ASP 78 Ca -0.20 -0.60 -0.11 0.00 -1.51 0.00 0.00 54.79 52.37 3fnj n ASP 78 Cb 0.58 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.97 3fnj n ASP 78 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 3fnj h TRP 79 N 0.60 -0.43 -3.95 -0.67 4.06 -1.97 -1.63 115.95 111.96 3fnj h TRP 79 Ca 0.00 -0.01 -0.30 0.00 2.06 0.00 0.00 58.89 60.64 3fnj h TRP 79 Cb 0.00 0.14 -0.07 0.00 -1.00 0.00 0.00 29.16 28.24 3fnj h TRP 79 CO 0.00 -0.11 -0.25 0.25 -3.56 0.00 0.00 178.44 174.77 3fnj n THR 80 N -5.11 0.00 1.26 1.49 -2.24 -1.26 0.05 114.28 108.47 3fnj n THR 80 Ca -0.08 -1.30 0.05 0.00 -2.27 0.00 0.00 64.05 60.45 3fnj n THR 80 Cb 0.27 0.49 0.18 0.00 -2.10 0.00 0.00 70.33 69.16 3fnj n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fnj n GLY 81 N 0.49 0.11 0.00 3.38 0.00 -1.26 -3.65 105.19 104.26 3fnj n GLY 81 Ca -0.02 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.76 3fnj n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fnj n GLY 82 N 0.92 -0.02 3.49 -0.02 0.00 -1.26 -5.02 105.19 103.29 3fnj n GLY 82 Ca 0.10 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 3fnj n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fnj s THR 83 N -2.06 1.41 0.00 2.61 2.01 -1.24 -5.03 115.64 113.34 3fnj s THR 83 Ca 0.02 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.02 3fnj s THR 83 Cb 0.07 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 70.22 3fnj s THR 83 CO 0.40 0.00 0.03 0.35 -0.69 0.00 0.00 174.62 174.71 3fnj n THR 84 N -5.12 0.00 -0.26 -0.82 -2.24 -1.26 -4.79 114.28 99.79 3fnj n THR 84 Ca 0.14 -0.25 -0.03 0.00 -2.27 0.00 0.00 64.05 61.64 3fnj n THR 84 Cb 0.60 1.06 0.09 0.00 -2.10 0.00 0.00 70.33 69.97 3fnj n THR 84 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3fnj h LEU 85 N 0.00 0.75 -0.58 3.22 3.38 -1.95 0.11 115.31 120.24 3fnj h LEU 85 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 3fnj h LEU 85 Cb 0.03 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 40.50 3fnj h LEU 85 CO 0.00 0.52 -0.23 1.23 0.09 0.00 0.00 178.44 180.05 3fnj h GLY 86 N 0.90 0.20 1.49 0.83 0.00 -1.86 0.45 103.07 105.07 3fnj h GLY 86 Ca 0.30 0.30 -0.21 0.00 0.00 0.00 0.00 47.33 47.72 3fnj h GLY 86 CO -0.11 -0.23 -0.82 0.50 0.00 0.00 0.00 176.54 175.87 3fnj h LYS 87 N -0.09 0.48 -0.46 4.80 1.57 -1.77 -1.07 116.57 120.04 3fnj h LYS 87 Ca 0.26 -0.44 0.05 0.00 -1.87 0.00 0.00 60.65 58.66 3fnj h LYS 87 Cb 0.50 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 3fnj h LYS 87 CO -0.64 1.08 0.20 1.15 -0.57 0.00 0.00 179.45 180.67 3fnj h THR 88 N 0.31 0.91 -0.13 -0.16 2.02 0.60 0.83 112.91 117.29 3fnj h THR 88 Ca -0.05 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 3fnj h THR 88 Cb 1.43 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 3fnj h THR 88 CO 0.15 0.07 0.03 0.00 0.37 0.00 0.00 175.52 176.14 3fnj h ALA 89 N 1.27 0.17 -0.55 6.16 0.00 -0.15 -2.71 119.26 123.45 3fnj h ALA 89 Ca 0.21 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.13 3fnj h ALA 89 Cb 0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3fnj h ALA 89 CO -0.18 -0.18 0.40 1.25 0.00 0.00 0.00 179.25 180.54 3fnj h LEU 90 N 0.00 0.00 0.12 0.00 5.85 -0.49 -0.39 115.31 120.40 3fnj h LEU 90 Ca 0.04 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3fnj h LEU 90 Cb 0.28 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3fnj h LEU 90 CO 0.00 0.00 -0.06 0.25 -0.34 0.00 0.00 178.44 178.30 3fnj h LEU 91 N 0.00 -0.13 -0.07 2.25 5.85 -0.54 -1.13 115.31 121.54 3fnj h LEU 91 Ca 0.26 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.62 3fnj h LEU 91 Cb 1.05 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 3fnj h LEU 91 CO -0.00 0.34 0.02 0.58 -0.34 0.00 0.00 178.44 179.03 3fnj h VAL 92 N -0.64 0.98 0.40 1.05 2.07 -1.23 -1.69 116.25 117.19 3fnj h VAL 92 Ca -0.02 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3fnj h VAL 92 Cb 0.50 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3fnj h VAL 92 CO 0.03 0.01 -0.37 -0.07 0.02 0.00 0.00 177.57 177.19 3fnj h LEU 93 N 0.06 -1.01 -1.90 2.57 3.38 -1.15 -0.14 115.31 117.12 3fnj h LEU 93 Ca 0.03 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.16 3fnj h LEU 93 Cb 0.02 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3fnj h LEU 93 CO -0.03 -0.50 0.26 -0.07 0.09 0.00 0.00 178.44 178.19 3fnj h LEU 94 N -0.76 0.10 -0.33 1.67 3.38 -1.23 -1.62 115.31 116.53 3fnj h LEU 94 Ca -0.05 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 3fnj h LEU 94 Cb 0.65 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 3fnj h LEU 94 CO -0.03 0.07 -0.46 0.28 0.09 0.00 0.00 178.44 178.39 3fnj h SER 95 N 0.12 0.97 0.06 -0.43 0.02 -1.04 -2.94 113.55 110.31 3fnj h SER 95 Ca 0.17 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3fnj h SER 95 Cb 0.53 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3fnj h SER 95 CO -0.02 1.28 0.00 0.00 -1.14 0.00 0.00 176.83 176.95 3fnj n ALA 96 N -2.55 2.35 -0.08 3.77 0.00 -0.09 -4.86 120.51 119.05 3fnj n ALA 96 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3fnj n ALA 96 Cb 0.58 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3fnj n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fnj n GLY 97 N 0.50 0.53 3.79 0.00 0.00 -1.08 -5.07 105.19 103.87 3fnj n GLY 97 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3fnj n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fnj s PHE 98 N -2.24 2.97 -0.26 1.61 0.08 -0.85 -4.98 117.98 114.30 3fnj s PHE 98 Ca 0.00 1.58 -0.13 0.00 0.12 0.00 0.00 56.93 58.49 3fnj s PHE 98 Cb 0.00 -3.09 -0.04 0.00 -0.57 0.00 0.00 43.02 39.32 3fnj s PHE 98 CO 0.00 -0.90 0.28 -2.00 -0.10 0.00 0.00 175.22 172.51 3fnj s GLU 99 N -3.21 4.01 0.14 0.44 2.12 -1.26 -3.97 118.70 116.98 3fnj s GLU 99 Ca 0.68 -0.11 -0.08 0.00 0.36 0.00 0.00 54.97 55.81 3fnj s GLU 99 Cb -0.17 -3.63 -0.01 0.00 0.26 0.00 0.00 34.13 30.57 3fnj s GLU 99 CO 0.21 -0.18 0.25 0.00 -0.54 0.00 0.00 175.26 174.99 3fnj s ALA 100 N 1.78 0.01 0.02 6.30 0.00 -1.26 -1.92 121.76 126.69 3fnj s ALA 100 Ca 0.12 -0.87 -0.08 0.00 0.00 0.00 0.00 51.96 51.13 3fnj s ALA 100 Cb -0.16 0.78 -0.00 0.00 0.00 0.00 0.00 23.12 23.74 3fnj s ALA 100 CO 0.10 -0.60 0.16 0.71 0.00 0.00 0.00 175.76 176.12 3fnj s TYR 101 N -3.95 0.08 -0.12 0.00 2.02 -0.78 -4.98 117.35 109.62 3fnj s TYR 101 Ca 0.15 -0.26 -0.14 0.00 -0.37 0.00 0.00 57.07 56.44 3fnj s TYR 101 Cb 0.04 -0.06 -0.05 0.00 -0.40 0.00 0.00 41.96 41.49 3fnj s TYR 101 CO -0.02 -0.36 0.33 -2.00 -1.57 0.00 0.00 175.55 171.92 3fnj s GLU 102 N -2.13 4.14 0.14 -0.62 2.12 -0.05 -1.02 118.70 121.30 3fnj s GLU 102 Ca -0.09 0.18 -0.31 0.00 0.36 0.00 0.00 54.97 55.11 3fnj s GLU 102 Cb -0.03 -3.37 -0.10 0.00 0.26 0.00 0.00 34.13 30.88 3fnj s GLU 102 CO -0.02 0.35 1.65 -1.17 -0.54 0.00 0.00 175.26 175.53 3fnj s LEU 103 N 0.10 4.37 -0.15 2.70 2.96 0.12 -1.41 118.68 127.36 3fnj s LEU 103 Ca 0.19 2.65 -0.29 0.00 -0.22 0.00 0.00 54.13 56.45 3fnj s LEU 103 Cb -0.14 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 3fnj s LEU 103 CO 0.06 -0.89 1.24 0.00 -1.32 0.00 0.00 176.35 175.44 3fnj s ALA 104 N 1.72 3.64 0.00 5.97 0.00 -0.99 -2.79 121.76 129.31 3fnj s ALA 104 Ca 0.73 0.46 0.00 0.00 0.00 0.00 0.00 51.96 53.15 3fnj s ALA 104 Cb -0.44 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.08 3fnj s ALA 104 CO 0.32 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.39 3fnj n GLY 105 N 3.55 1.77 7.00 0.00 0.00 -1.26 -4.51 105.19 111.75 3fnj n GLY 105 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3fnj n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fnj n ALA 106 N -1.65 0.00 -0.16 4.61 0.00 -1.12 -1.38 120.51 120.81 3fnj n ALA 106 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3fnj n ALA 106 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 3fnj n ALA 106 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3fnj h LEU 107 N 0.00 0.89 -0.60 0.00 5.85 -1.29 -1.95 115.31 118.21 3fnj h LEU 107 Ca 0.00 -0.23 0.12 0.00 0.84 0.00 0.00 57.88 58.61 3fnj h LEU 107 Cb 0.00 -0.24 -0.12 0.00 0.37 0.00 0.00 40.66 40.68 3fnj h LEU 107 CO 0.00 0.95 -0.18 -0.08 -0.34 0.00 0.00 178.44 178.79 3fnj h GLU 108 N 0.85 -0.03 0.00 1.25 4.81 -0.48 0.27 114.58 121.25 3fnj h GLU 108 Ca 0.16 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3fnj h GLU 108 Cb 0.50 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 3fnj h GLU 108 CO 0.02 -0.02 -0.34 0.78 -0.73 0.00 0.00 179.01 178.72 3fnj h GLY 109 N -0.03 0.00 0.50 1.92 0.00 -1.15 -2.48 103.07 101.83 3fnj h GLY 109 Ca 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 3fnj h GLY 109 CO -0.63 0.00 -0.05 -0.25 0.00 0.00 0.00 176.54 175.61 3fnj h TRP 110 N 0.00 0.10 -0.07 5.60 2.91 -0.24 -3.18 115.95 121.08 3fnj h TRP 110 Ca -0.00 -0.04 -0.15 0.00 1.13 0.00 0.00 58.89 59.83 3fnj h TRP 110 Cb 1.04 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.66 3fnj h TRP 110 CO 0.00 0.62 -0.63 0.87 -1.03 0.00 0.00 178.44 178.27 3fnj h LYS 111 N -0.45 0.24 -2.02 2.65 1.57 -0.67 -3.11 116.57 114.79 3fnj h LYS 111 Ca 0.00 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3fnj h LYS 111 Cb 0.61 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 3fnj h LYS 111 CO 0.01 0.79 0.01 0.41 -0.57 0.00 0.00 179.45 180.10 3fnj n GLY 112 N 0.33 0.58 2.71 3.86 0.00 -0.93 -4.23 105.19 107.50 3fnj n GLY 112 Ca -0.03 -0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 3fnj n GLY 112 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fnj n GLN 114 N 2.00 1.30 -4.00 1.61 1.13 -1.25 -5.06 117.38 113.12 3fnj n GLN 114 Ca 0.00 -2.99 -0.23 0.00 -1.94 0.00 0.00 57.00 51.85 3fnj n GLN 114 Cb 0.02 -1.06 -0.03 0.00 0.11 0.00 0.00 30.24 29.28 3fnj n GLN 114 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3fnj s LEU 115 N -3.36 4.21 -0.02 1.08 1.02 -1.18 -5.05 118.68 115.38 3fnj s LEU 115 Ca 0.25 0.03 -0.36 0.00 0.02 0.00 0.00 54.13 54.07 3fnj s LEU 115 Cb 0.42 -2.76 -0.14 0.00 0.02 0.00 0.00 46.19 43.73 3fnj s LEU 115 CO -0.01 -0.03 1.63 -0.81 0.02 0.00 0.00 176.35 177.16 3fnj n PRO 116 N -1.10 1.67 -3.49 1.29 -0.04 -1.26 -4.78 135.00 127.30 3fnj n PRO 116 Ca -0.08 0.61 -0.06 0.00 -0.04 0.00 0.00 63.50 63.92 3fnj n PRO 116 Cb 0.56 -2.34 -0.07 0.00 -0.04 0.00 0.00 33.50 31.61 3fnj n PRO 116 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3fnj s VAL 117 N 2.23 -0.72 0.01 0.52 0.11 -1.26 -2.28 120.40 119.00 3fnj s VAL 117 Ca 0.88 0.05 -0.02 0.00 -2.93 0.00 0.00 61.98 59.96 3fnj s VAL 117 Cb -0.84 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 33.17 3fnj s VAL 117 CO 0.50 -0.01 0.20 -1.83 -3.33 0.00 0.00 175.10 170.63 3fnj s GLU 118 N 2.66 3.45 1.00 1.54 -1.05 -0.88 -4.84 118.70 120.58 3fnj s GLU 118 Ca 0.06 -0.34 -0.14 0.00 -0.15 0.00 0.00 54.97 54.41 3fnj s GLU 118 Cb -0.14 -3.08 0.19 0.00 -0.44 0.00 0.00 34.13 30.66 3fnj s GLU 118 CO -0.16 0.65 1.12 0.95 0.95 0.00 0.00 175.26 178.78 3fnj s THR 119 N -1.38 1.94 -0.91 1.83 -4.23 -1.26 -2.24 115.64 109.40 3fnj s THR 119 Ca 0.30 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 61.00 3fnj s THR 119 Cb -0.13 -2.62 -0.21 0.00 1.34 0.00 0.00 72.50 70.88 3fnj s THR 119 CO 0.21 0.00 0.82 0.18 -0.54 0.00 0.00 174.62 175.29 3fnj n LEU 120 N -4.09 0.91 -3.29 4.79 4.77 -0.99 -4.82 117.00 114.27 3fnj n LEU 120 Ca 0.07 -0.49 -0.17 0.00 -0.03 0.00 0.00 56.01 55.39 3fnj n LEU 120 Cb 0.59 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.69 3fnj n LEU 120 CO 0.55 0.23 -0.02 0.00 -1.33 0.00 0.00 177.39 176.82 3fnj n ALA 121 N -1.47 -2.66 -0.08 -1.18 0.00 -1.26 -4.97 120.51 108.88 3fnj n ALA 121 Ca 0.04 0.31 -0.15 0.00 0.00 0.00 0.00 53.44 53.64 3fnj n ALA 121 Cb 0.31 -2.06 -0.07 0.00 0.00 0.00 0.00 19.45 17.63 3fnj n ALA 121 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3fnj n ASP 122 N -1.25 1.99 0.00 0.00 5.68 -1.26 -5.17 116.55 116.54 3fnj n ASP 122 Ca -0.07 0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 3fnj n ASP 122 Cb 0.58 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 3fnj n ASP 122 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76