#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 0.67 1.26 1.20 5.19 -2.06 -3.04 116.42 119.65 3fnj h ASP 3 Ca 0.00 -0.86 0.00 0.00 -0.62 0.00 0.00 57.03 55.55 3fnj h ASP 3 Cb 0.00 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.30 3fnj h ASP 3 CO 0.00 1.47 0.00 0.11 -3.12 0.00 0.00 179.24 177.70 3fnj h LYS 4 N -0.02 0.00 -0.03 3.56 1.57 -2.05 -2.78 116.57 116.81 3fnj h LYS 4 Ca -0.15 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 3fnj h LYS 4 Cb 1.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.03 3fnj h LYS 4 CO 0.19 0.00 -0.11 0.87 -0.57 0.00 0.00 179.45 179.83 3fnj h LYS 5 N 0.00 0.13 -0.08 3.15 1.57 -1.99 -2.61 116.57 116.74 3fnj h LYS 5 Ca 0.00 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 3fnj h LYS 5 Cb 0.63 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 3fnj h LYS 5 CO 0.00 0.72 -0.39 0.82 -0.57 0.00 0.00 179.45 180.03 3fnj h ILE 6 N -0.43 1.30 -0.07 1.86 2.04 -1.49 -1.08 117.51 119.63 3fnj h ILE 6 Ca -0.00 -1.44 -0.02 0.00 1.00 0.00 0.00 64.86 64.40 3fnj h ILE 6 Cb 0.73 1.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.48 3fnj h ILE 6 CO 0.02 0.42 -0.04 -0.08 0.00 0.00 0.00 178.15 178.48 3fnj h GLU 7 N 0.14 0.15 -0.58 2.37 4.81 -1.55 0.31 114.58 120.24 3fnj h GLU 7 Ca 0.01 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3fnj h GLU 7 Cb 0.76 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 3fnj h GLU 7 CO 0.06 0.54 0.28 1.25 -0.73 0.00 0.00 179.01 180.40 3fnj h LEU 8 N -0.24 0.75 -1.54 1.64 5.85 -1.39 -2.12 115.31 118.26 3fnj h LEU 8 Ca 0.02 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3fnj h LEU 8 Cb 0.50 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3fnj h LEU 8 CO 0.01 0.67 0.04 -0.07 -0.34 0.00 0.00 178.44 178.76 3fnj h LEU 9 N 0.78 0.30 -0.19 2.25 3.38 -1.10 0.32 115.31 121.05 3fnj h LEU 9 Ca 0.20 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 3fnj h LEU 9 Cb 0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3fnj h LEU 9 CO -0.02 0.33 -0.27 0.74 0.09 0.00 0.00 178.44 179.31 3fnj h THR 10 N 0.33 1.34 0.21 0.22 2.02 -0.39 -1.76 112.91 114.88 3fnj h THR 10 Ca 0.08 -1.47 -0.01 0.00 0.77 0.00 0.00 66.41 65.78 3fnj h THR 10 Cb 0.16 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 3fnj h THR 10 CO -0.00 0.45 -0.10 0.74 0.37 0.00 0.00 175.52 176.98 3fnj h THR 11 N 0.17 0.82 -0.58 3.16 2.02 -1.13 -1.06 112.91 116.32 3fnj h THR 11 Ca 0.02 -0.90 0.09 0.00 0.77 0.00 0.00 66.41 66.38 3fnj h THR 11 Cb 0.84 1.29 -0.07 0.00 -1.74 0.00 0.00 68.15 68.47 3fnj h THR 11 CO 0.06 0.18 0.20 0.22 0.37 0.00 0.00 175.52 176.56 3fnj h TYR 12 N -0.79 0.35 -0.20 3.16 3.20 -0.47 -1.90 116.97 120.33 3fnj h TYR 12 Ca -0.03 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 3fnj h TYR 12 Cb 0.51 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 3fnj h TYR 12 CO 0.06 0.09 -0.33 -0.07 -1.64 0.00 0.00 178.16 176.27 3fnj h LEU 13 N 0.38 0.42 0.00 2.82 3.38 -1.35 -2.62 115.31 118.34 3fnj h LEU 13 Ca 0.29 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3fnj h LEU 13 Cb 0.35 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3fnj h LEU 13 CO -0.30 0.73 0.00 -1.54 0.09 0.00 0.00 178.44 177.42 3fnj n SER 14 N -4.08 0.00 0.06 -0.43 3.41 -0.40 -1.27 113.62 110.90 3fnj n SER 14 Ca -0.01 -0.83 0.12 0.00 -0.26 0.00 0.00 58.87 57.89 3fnj n SER 14 Cb 0.44 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.53 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 0.00 -9.94 1.04 3.38 -1.35 -3.47 115.31 104.96 3fnj h LEU 15 Ca 0.00 -0.22 -0.51 0.00 0.09 0.00 0.00 57.88 57.24 3fnj h LEU 15 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3fnj h LEU 15 CO 0.00 0.11 -0.50 -0.31 0.09 0.00 0.00 178.44 177.84 3fnj s TYR 16 N -3.18 2.96 -0.03 1.13 1.51 -0.40 -0.89 117.35 118.44 3fnj s TYR 16 Ca 0.05 -0.23 0.02 0.00 -1.01 0.00 0.00 57.07 55.91 3fnj s TYR 16 Cb 0.13 -1.60 0.01 0.00 -0.11 0.00 0.00 41.96 40.39 3fnj s TYR 16 CO 0.74 0.35 -0.09 -1.50 -1.11 0.00 0.00 175.55 173.94 3fnj s ILE 17 N -2.25 0.81 0.33 2.71 2.07 -0.51 -4.76 121.20 119.60 3fnj s ILE 17 Ca 0.37 -0.35 -0.29 0.00 -1.41 0.00 0.00 60.65 58.97 3fnj s ILE 17 Cb -0.06 -0.73 -0.10 0.00 0.13 0.00 0.00 42.46 41.69 3fnj s ILE 17 CO 0.25 0.26 1.30 -0.62 -1.91 0.00 0.00 174.94 174.22 3fnj s ASP 18 N 0.33 6.79 0.52 4.50 -1.08 -1.26 -1.44 116.67 125.02 3fnj s ASP 18 Ca -0.06 2.67 0.16 0.00 -0.52 0.00 0.00 52.55 54.81 3fnj s ASP 18 Cb -0.10 -2.65 1.27 0.00 -1.46 0.00 0.00 42.92 39.98 3fnj s ASP 18 CO 0.01 -0.52 2.15 1.12 0.52 0.00 0.00 175.17 178.44 3fnj h HIS 19 N 3.39 0.00 -0.91 -5.34 2.07 -1.95 -2.37 115.15 110.03 3fnj h HIS 19 Ca -0.49 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.04 3fnj h HIS 19 Cb 1.23 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.16 3fnj h HIS 19 CO 0.56 0.00 0.60 0.45 -3.07 0.00 0.00 177.93 176.47 3fnj h HIS 20 N 0.00 1.16 0.00 6.12 3.86 -1.96 -0.12 115.15 124.21 3fnj h HIS 20 Ca -0.00 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 3fnj h HIS 20 Cb 0.01 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.08 3fnj h HIS 20 CO 0.00 0.74 -0.26 1.15 0.86 0.00 0.00 177.93 180.41 3fnj h THR 21 N 1.24 1.08 0.12 2.45 2.02 -1.81 -0.32 112.91 117.69 3fnj h THR 21 Ca 0.33 -0.93 -0.24 0.00 0.77 0.00 0.00 66.41 66.35 3fnj h THR 21 Cb -0.13 1.51 0.03 0.00 -1.74 0.00 0.00 68.15 67.82 3fnj h THR 21 CO -0.07 0.26 -1.01 0.58 0.37 0.00 0.00 175.52 175.65 3fnj h VAL 22 N 0.00 1.38 0.11 3.16 2.07 -1.34 -3.09 116.25 118.54 3fnj h VAL 22 Ca -0.00 -2.43 -0.01 0.00 0.82 0.00 0.00 66.70 65.08 3fnj h VAL 22 Cb 0.49 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 3fnj h VAL 22 CO 0.03 0.72 -0.05 0.25 0.02 0.00 0.00 177.57 178.54 3fnj h LEU 23 N -0.02 -0.12 -2.31 2.57 6.46 -0.76 -2.39 115.31 118.74 3fnj h LEU 23 Ca -0.16 -0.11 0.04 0.00 -0.12 0.00 0.00 57.88 57.53 3fnj h LEU 23 Cb 1.74 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.70 3fnj h LEU 23 CO 0.19 0.03 0.19 0.00 -0.62 0.00 0.00 178.44 178.24 3fnj h ALA 24 N 0.61 1.61 -0.18 1.25 0.00 -1.17 -0.07 119.26 121.31 3fnj h ALA 24 Ca -0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3fnj h ALA 24 Cb 0.22 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3fnj h ALA 24 CO 0.02 -0.26 0.06 -3.47 0.00 0.00 0.00 179.25 175.61 3fnj n ASP 25 N -3.56 2.56 0.00 0.00 -0.08 -0.90 -3.65 116.55 110.93 3fnj n ASP 25 Ca 0.00 -2.29 0.00 0.00 -1.51 0.00 0.00 54.79 51.00 3fnj n ASP 25 Cb 0.29 -0.56 0.00 0.00 2.34 0.00 0.00 41.12 43.19 3fnj n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3fnj n GLN 27 N 0.13 0.00 -0.15 -0.67 6.02 -0.04 -2.25 117.38 120.43 3fnj n GLN 27 Ca 0.10 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.13 3fnj n GLN 27 Cb 0.60 0.00 0.12 0.00 1.02 0.00 0.00 30.24 31.99 3fnj n GLN 27 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3fnj n ASN 28 N 0.00 2.76 -4.27 1.08 3.02 -1.24 -4.97 115.26 111.64 3fnj n ASN 28 Ca 0.00 -2.03 -0.37 0.00 -0.03 0.00 0.00 54.58 52.15 3fnj n ASN 28 Cb 0.00 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 38.94 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 0.27 -1.26 0.24 5.41 0.00 -0.95 -4.80 120.51 119.41 3fnj n ALA 29 Ca 0.09 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.62 3fnj n ALA 29 Cb 0.40 -3.32 0.39 0.00 0.00 0.00 0.00 19.45 16.92 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 -1.42 0.14 -5.86 0.00 2.02 -1.81 -3.47 112.91 102.52 3fnj h THR 30 Ca -0.59 -0.94 -0.43 0.00 0.77 0.00 0.00 66.41 65.21 3fnj h THR 30 Cb 1.38 1.83 0.03 0.00 -1.74 0.00 0.00 68.15 69.65 3fnj h THR 30 CO 0.80 0.07 -0.70 0.61 0.37 0.00 0.00 175.52 176.67 3fnj n GLY 31 N 0.59 -0.52 0.08 2.16 0.00 -1.26 -4.89 105.19 101.35 3fnj n GLY 31 Ca 0.02 0.20 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 3fnj n GLY 31 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3fnj h LYS 32 N -2.14 0.01 -6.43 1.61 3.64 -1.92 -3.47 116.57 107.87 3fnj h LYS 32 Ca -0.56 -0.01 -0.61 0.00 -1.27 0.00 0.00 60.65 58.20 3fnj h LYS 32 Cb 1.37 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.97 3fnj h LYS 32 CO 0.61 0.58 -0.84 0.71 -2.27 0.00 0.00 179.45 178.24 3fnj s TYR 33 N -2.61 1.98 -0.14 1.91 2.02 -1.26 -2.54 117.35 116.71 3fnj s TYR 33 Ca -0.04 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.27 3fnj s TYR 33 Cb 0.08 -1.09 0.02 0.00 -0.40 0.00 0.00 41.96 40.57 3fnj s TYR 33 CO 0.82 0.24 -0.15 0.08 -1.57 0.00 0.00 175.55 174.97 3fnj s VAL 34 N -1.10 1.62 -0.35 0.71 1.01 -0.38 -4.94 120.40 116.97 3fnj s VAL 34 Ca 0.09 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.18 3fnj s VAL 34 Cb -0.10 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.79 3fnj s VAL 34 CO 0.05 0.47 0.68 -0.69 0.00 0.00 0.00 175.10 175.60 3fnj s VAL 35 N 1.27 4.85 -0.26 2.92 1.01 -1.26 -1.17 120.40 127.75 3fnj s VAL 35 Ca 0.00 0.71 -0.10 0.00 0.00 0.00 0.00 61.98 62.59 3fnj s VAL 35 Cb -0.14 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 3fnj s VAL 35 CO -0.07 -0.33 0.15 -0.76 0.00 0.00 0.00 175.10 174.09 3fnj s LEU 36 N 2.81 3.89 -0.56 3.92 1.43 0.15 -1.24 118.68 129.07 3fnj s LEU 36 Ca 0.27 -0.04 -0.24 0.00 -1.03 0.00 0.00 54.13 53.08 3fnj s LEU 36 Cb -0.14 -2.07 0.04 0.00 0.03 0.00 0.00 46.19 44.05 3fnj s LEU 36 CO 0.15 -0.03 0.97 -0.62 0.23 0.00 0.00 176.35 177.05 3fnj s ASP 37 N 1.60 6.34 -0.22 2.29 -1.08 -0.57 -1.55 116.67 123.48 3fnj s ASP 37 Ca 0.07 -0.33 0.12 0.00 -0.52 0.00 0.00 52.55 51.89 3fnj s ASP 37 Cb -0.15 -2.45 0.75 0.00 -1.46 0.00 0.00 42.92 39.61 3fnj s ASP 37 CO 0.08 -1.26 1.65 1.33 0.52 0.00 0.00 175.17 177.49 3fnj n VAL 38 N 6.23 2.54 -2.15 1.11 0.24 -0.64 -4.00 118.33 121.66 3fnj n VAL 38 Ca 0.02 -1.29 -0.38 0.00 -2.04 0.00 0.00 64.34 60.65 3fnj n VAL 38 Cb 0.48 -0.31 -0.00 0.00 -1.47 0.00 0.00 33.84 32.54 3fnj n VAL 38 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3fnj s ARG 39 N -2.62 3.70 -0.16 7.34 0.52 -1.25 -2.18 118.95 124.29 3fnj s ARG 39 Ca 0.50 1.91 -0.24 0.00 -0.52 0.00 0.00 55.73 57.38 3fnj s ARG 39 Cb 0.38 -2.45 -0.23 0.00 0.52 0.00 0.00 34.95 33.17 3fnj s ARG 39 CO 0.14 -0.64 0.50 -0.91 0.02 0.00 0.00 175.30 174.42 3fnj h ASN 40 N 2.08 0.07 -1.17 0.23 2.35 -1.96 -3.38 115.58 113.80 3fnj h ASN 40 Ca -0.50 -0.76 -0.43 0.00 -0.55 0.00 0.00 56.30 54.06 3fnj h ASN 40 Cb 1.26 -0.02 0.11 0.00 0.05 0.00 0.00 38.32 39.71 3fnj h ASN 40 CO 0.60 1.32 -0.66 0.00 -1.65 0.00 0.00 177.43 177.04 3fnj n ALA 41 N -3.01 -2.50 -1.48 -0.83 0.00 -1.26 -4.89 120.51 106.54 3fnj n ALA 41 Ca -0.22 0.08 -0.33 0.00 0.00 0.00 0.00 53.44 52.97 3fnj n ALA 41 Cb 0.64 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 19.12 3fnj n ALA 41 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fnj s PRO 42 N -0.70 2.69 0.55 0.00 0.04 -1.26 -4.70 135.00 131.62 3fnj s PRO 42 Ca 0.41 1.43 0.31 0.00 0.04 0.00 0.00 61.00 63.20 3fnj s PRO 42 Cb -0.44 -1.93 1.48 0.00 0.04 0.00 0.00 34.50 33.64 3fnj s PRO 42 CO 0.44 -1.34 1.87 0.00 0.04 0.00 0.00 177.00 178.00 3fnj h ALA 43 N -0.06 2.75 0.00 8.56 0.00 -1.91 0.52 119.26 129.12 3fnj h ALA 43 Ca -0.47 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 3fnj h ALA 43 Cb 1.25 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3fnj h ALA 43 CO 0.53 -1.08 -0.13 -0.56 0.00 0.00 0.00 179.25 178.01 3fnj h GLN 44 N 0.00 0.00 0.04 0.00 3.07 -1.96 -3.25 115.11 113.01 3fnj h GLN 44 Ca 0.40 0.00 -0.38 0.00 0.09 0.00 0.00 58.65 58.76 3fnj h GLN 44 Cb 1.69 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 29.20 3fnj h GLN 44 CO -0.00 0.13 -2.27 0.28 0.09 0.00 0.00 178.83 177.05 3fnj n VAL 45 N -3.42 1.58 -1.48 1.86 0.31 0.17 -4.46 118.33 112.90 3fnj n VAL 45 Ca -0.01 -0.54 -0.30 0.00 -0.01 0.00 0.00 64.34 63.48 3fnj n VAL 45 Cb 0.31 -1.61 -0.06 0.00 -0.91 0.00 0.00 33.84 31.56 3fnj n VAL 45 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3fnj n LYS 46 N -3.53 3.25 0.00 5.55 2.85 -0.78 -4.85 118.16 120.66 3fnj n LYS 46 Ca -0.42 -2.33 0.00 0.00 -1.05 0.00 0.00 58.31 54.51 3fnj n LYS 46 Cb 0.97 -2.40 0.00 0.00 -0.65 0.00 0.00 35.03 32.95 3fnj n LYS 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3fnj n LYS 47 N 2.12 0.00 -4.38 -1.58 4.01 -1.25 -4.44 118.16 112.63 3fnj n LYS 47 Ca 0.59 0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 58.19 3fnj n LYS 47 Cb 0.47 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 34.89 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 -4.52 2.58 0.04 4.39 -4.77 -1.26 -2.84 116.67 110.29 3fnj s ASP 48 Ca 0.00 -1.12 -0.03 0.00 -3.30 0.00 0.00 52.55 48.10 3fnj s ASP 48 Cb 0.00 -0.13 -0.03 0.00 -1.09 0.00 0.00 42.92 41.67 3fnj s ASP 48 CO 0.00 -0.29 0.02 0.00 0.70 0.00 0.00 175.17 175.60 3fnj s GLN 49 N -3.71 0.57 0.22 2.11 -2.07 -0.99 -4.96 119.66 110.83 3fnj s GLN 49 Ca 0.26 -0.97 -0.32 0.00 -1.82 0.00 0.00 55.36 52.52 3fnj s GLN 49 Cb 0.02 0.21 -0.14 0.00 -1.09 0.00 0.00 33.01 32.01 3fnj s GLN 49 CO 0.09 -0.12 1.44 -0.89 -1.32 0.00 0.00 175.29 174.49 3fnj n ILE 50 N 0.54 0.72 -1.68 3.63 5.41 -1.26 -0.83 119.36 125.88 3fnj n ILE 50 Ca -0.17 -0.18 -0.51 0.00 1.00 0.00 0.00 62.75 62.89 3fnj n ILE 50 Cb 0.59 -1.46 -0.05 0.00 -0.71 0.00 0.00 39.64 38.01 3fnj n ILE 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3fnj n LYS 51 N 2.33 1.86 -0.28 0.38 4.81 -1.03 -0.75 118.16 125.48 3fnj n LYS 51 Ca 0.13 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 3fnj n LYS 51 Cb 0.30 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 32.89 3fnj n LYS 51 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3fnj n GLY 52 N 4.18 0.96 3.71 3.14 0.00 -1.26 -4.98 105.19 110.94 3fnj n GLY 52 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.73 1.69 -0.12 4.61 0.00 0.07 -4.62 121.76 120.66 3fnj s ALA 53 Ca 0.00 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.25 3fnj s ALA 53 Cb 0.00 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.82 3fnj s ALA 53 CO 0.00 -2.33 -0.19 0.42 0.00 0.00 0.00 175.76 173.66 3fnj s ILE 54 N -2.81 1.78 0.78 0.00 1.01 -0.38 -4.96 121.20 116.63 3fnj s ILE 54 Ca 0.64 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 3fnj s ILE 54 Cb -0.19 -1.59 0.06 0.00 0.01 0.00 0.00 42.46 40.74 3fnj s ILE 54 CO 0.57 0.50 1.10 0.00 0.00 0.00 0.00 174.94 177.11 3fnj s ALA 55 N 0.85 2.21 -0.01 9.38 0.00 -1.26 -1.51 121.76 131.41 3fnj s ALA 55 Ca -0.08 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.18 3fnj s ALA 55 Cb -0.15 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.69 3fnj s ALA 55 CO -0.01 -1.82 0.01 -2.14 0.00 0.00 0.00 175.76 171.81 3fnj s PRO 57 N -4.85 0.00 0.45 0.00 0.02 -1.26 -4.94 135.00 124.42 3fnj s PRO 57 Ca 0.62 0.09 0.17 0.00 0.02 0.00 0.00 61.00 61.90 3fnj s PRO 57 Cb -0.18 -0.16 1.11 0.00 0.02 0.00 0.00 34.50 35.29 3fnj s PRO 57 CO 0.56 -0.09 1.95 0.00 -0.33 0.00 0.00 177.00 179.08 3fnj h ALA 58 N 6.77 2.16 0.00 -1.55 0.00 -1.67 0.27 119.26 125.24 3fnj h ALA 58 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3fnj h ALA 58 Cb 1.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3fnj h ALA 58 CO 0.49 -0.33 0.00 0.36 0.00 0.00 0.00 179.25 179.77 3fnj n LYS 59 N -4.46 0.10 0.00 0.00 2.85 -1.26 -3.34 118.16 112.05 3fnj n LYS 59 Ca 0.12 0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.54 3fnj n LYS 59 Cb 0.50 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 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 -1.42 0.18 -0.31 -5.58 8.00 0.74 -4.77 116.55 113.38 3fnj n ASP 60 Ca 0.06 -0.53 0.07 0.00 0.71 0.00 0.00 54.79 55.11 3fnj n ASP 60 Cb 0.19 0.58 0.28 0.00 -0.02 0.00 0.00 41.12 42.16 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 0.84 -0.80 0.64 5.85 -1.00 -0.36 115.31 120.48 3fnj h LEU 61 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3fnj h LEU 61 Cb 0.03 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3fnj h LEU 61 CO 0.00 0.48 0.00 0.00 -0.34 0.00 0.00 178.44 178.58 3fnj n ALA 62 N -2.39 1.46 -0.12 1.25 0.00 -1.26 -1.41 120.51 118.03 3fnj n ALA 62 Ca 0.16 0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.49 3fnj n ALA 62 Cb 0.32 -1.33 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 3fnj n ALA 62 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3fnj n THR 63 N -2.14 1.35 1.62 0.00 -1.04 -0.28 -4.47 114.28 109.32 3fnj n THR 63 Ca 0.01 -0.44 0.12 0.00 -2.04 0.00 0.00 64.05 61.70 3fnj n THR 63 Cb 0.16 -1.56 0.54 0.00 -1.82 0.00 0.00 70.33 67.65 3fnj n THR 63 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3fnj n ARG 64 N -3.61 1.40 -0.01 -2.82 1.74 -0.43 -4.18 116.66 108.75 3fnj n ARG 64 Ca -0.45 -0.59 0.23 0.00 -0.77 0.00 0.00 57.85 56.27 3fnj n ARG 64 Cb 0.90 -1.40 0.72 0.00 -1.02 0.00 0.00 32.46 31.66 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 1.28 0.47 0.00 0.55 2.10 -1.46 -0.02 117.51 120.43 3fnj h ILE 65 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3fnj h ILE 65 Cb 0.28 0.62 0.00 0.00 -1.09 0.00 0.00 36.82 36.62 3fnj h ILE 65 CO 0.00 0.00 0.00 1.23 -1.08 0.00 0.00 178.15 178.30 3fnj h GLY 66 N 0.00 0.00 2.00 8.18 0.00 -1.88 -1.62 103.07 109.75 3fnj h GLY 66 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3fnj h GLY 66 CO -0.00 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.37 3fnj h GLU 67 N 0.00 0.00 -7.04 4.80 5.08 -1.33 -3.46 114.58 112.63 3fnj h GLU 67 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 3fnj h GLU 67 Cb 0.11 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.38 3fnj h GLU 67 CO 0.00 0.00 0.24 -0.51 -1.00 0.00 0.00 179.01 177.74 3fnj s LEU 68 N -5.25 3.65 -0.35 1.33 1.43 -0.61 -5.05 118.68 113.84 3fnj s LEU 68 Ca 0.09 1.28 -0.12 0.00 -1.03 0.00 0.00 54.13 54.34 3fnj s LEU 68 Cb 0.09 -4.22 -0.00 0.00 0.03 0.00 0.00 46.19 42.09 3fnj s LEU 68 CO 0.61 -0.55 0.23 -0.62 0.23 0.00 0.00 176.35 176.25 3fnj s ASP 69 N -3.40 5.91 0.00 2.29 2.15 -1.26 -4.97 116.67 117.39 3fnj s ASP 69 Ca 0.54 -0.61 0.00 0.00 0.43 0.00 0.00 52.55 52.91 3fnj s ASP 69 Cb -0.10 -2.10 0.00 0.00 -0.30 0.00 0.00 42.92 40.42 3fnj s ASP 69 CO 0.36 -0.29 0.22 -0.81 -0.17 0.00 0.00 175.17 174.49 3fnj n PRO 70 N 5.08 0.38 -0.00 4.34 -0.04 -1.26 -2.50 135.00 140.99 3fnj n PRO 70 Ca -0.12 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.36 3fnj n PRO 70 Cb 0.49 -1.21 -0.04 0.00 -0.04 0.00 0.00 33.50 32.69 3fnj n PRO 70 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fnj n ALA 71 N 0.39 2.42 -2.67 0.55 0.00 -1.26 -4.88 120.51 115.06 3fnj n ALA 71 Ca 0.00 -0.15 -0.22 0.00 0.00 0.00 0.00 53.44 53.07 3fnj n ALA 71 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.09 3.35 -0.08 0.00 -0.14 -1.04 -5.09 119.74 114.65 3fnj s LYS 72 Ca -0.01 -0.60 -0.11 0.00 -1.36 0.00 0.00 55.97 53.90 3fnj s LYS 72 Cb 0.04 -2.74 -0.05 0.00 -1.68 0.00 0.00 37.83 33.40 3fnj s LYS 72 CO 0.25 0.16 0.25 0.99 -0.76 0.00 0.00 175.35 176.23 3fnj s THR 73 N -2.23 5.31 -0.18 2.17 2.01 -1.05 -4.51 115.64 117.16 3fnj s THR 73 Ca 0.40 0.47 -0.05 0.00 0.31 0.00 0.00 61.69 62.83 3fnj s THR 73 Cb -0.09 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 3fnj s THR 73 CO 0.33 0.58 0.00 -0.31 -0.69 0.00 0.00 174.62 174.54 3fnj s TYR 74 N -0.91 3.09 -0.33 4.92 2.02 0.39 -1.25 117.35 125.27 3fnj s TYR 74 Ca 0.18 -0.24 -0.04 0.00 -0.37 0.00 0.00 57.07 56.60 3fnj s TYR 74 Cb -0.14 -2.03 0.05 0.00 -0.40 0.00 0.00 41.96 39.44 3fnj s TYR 74 CO 0.07 -0.04 0.08 0.08 -1.57 0.00 0.00 175.55 174.17 3fnj s VAL 75 N 0.55 3.45 0.22 0.71 1.01 -0.32 -0.08 120.40 125.94 3fnj s VAL 75 Ca -0.01 -1.31 -0.00 0.00 0.00 0.00 0.00 61.98 60.66 3fnj s VAL 75 Cb -0.14 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 3fnj s VAL 75 CO 0.02 -0.20 0.40 0.68 0.00 0.00 0.00 175.10 176.01 3fnj s VAL 76 N 1.32 5.20 -0.02 2.92 -7.23 -0.39 0.32 120.40 122.52 3fnj s VAL 76 Ca -0.02 -0.42 -0.27 0.00 -1.81 0.00 0.00 61.98 59.46 3fnj s VAL 76 Cb -0.20 -3.76 0.06 0.00 0.56 0.00 0.00 36.38 33.05 3fnj s VAL 76 CO 0.01 -0.22 0.60 -0.72 -0.31 0.00 0.00 175.10 174.46 3fnj s TYR 77 N -1.92 -0.56 0.30 2.82 -0.85 -0.59 -1.04 117.35 115.51 3fnj s TYR 77 Ca 0.38 0.87 0.01 0.00 -0.52 0.00 0.00 57.07 57.81 3fnj s TYR 77 Cb -0.11 0.37 -0.00 0.00 0.38 0.00 0.00 41.96 42.60 3fnj s TYR 77 CO 0.30 -0.60 0.03 -3.47 -1.52 0.00 0.00 175.55 170.29 3fnj n ASP 78 N 0.79 2.25 -0.09 -0.18 2.03 -1.26 -1.63 116.55 118.47 3fnj n ASP 78 Ca -0.19 -2.41 -0.10 0.00 0.52 0.00 0.00 54.79 52.61 3fnj n ASP 78 Cb 0.58 0.39 -0.04 0.00 -0.72 0.00 0.00 41.12 41.33 3fnj n ASP 78 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 3fnj h TRP 79 N 1.26 -1.11 -1.80 -0.67 4.06 -1.97 -2.72 115.95 113.00 3fnj h TRP 79 Ca -0.24 0.06 -0.60 0.00 2.06 0.00 0.00 58.89 60.17 3fnj h TRP 79 Cb 0.80 0.53 -0.13 0.00 -1.00 0.00 0.00 29.16 29.36 3fnj h TRP 79 CO 0.00 -0.43 -0.53 -0.08 -3.56 0.00 0.00 178.44 173.84 3fnj s THR 80 N -5.91 0.95 -0.57 1.49 -1.32 -1.26 -1.87 115.64 107.15 3fnj s THR 80 Ca -0.15 -2.00 0.24 0.00 -1.21 0.00 0.00 61.69 58.57 3fnj s THR 80 Cb 0.12 -2.38 0.00 0.00 -1.51 0.00 0.00 72.50 68.73 3fnj s THR 80 CO 0.66 0.00 1.21 1.23 -2.21 0.00 0.00 174.62 175.51 3fnj h GLY 81 N 1.67 0.00 -4.53 6.08 0.00 -1.86 -3.40 103.07 101.03 3fnj h GLY 81 Ca -0.39 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.49 3fnj h GLY 81 CO 0.66 0.00 0.57 0.61 0.00 0.00 0.00 176.54 178.38 3fnj n GLY 82 N 1.32 4.07 3.32 4.60 0.00 -1.26 -4.87 105.19 112.37 3fnj n GLY 82 Ca 0.02 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 3fnj n GLY 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fnj s THR 83 N -1.01 0.00 -2.87 2.61 -4.23 -1.26 -5.06 115.64 103.82 3fnj s THR 83 Ca 0.61 -1.83 0.24 0.00 -1.18 0.00 0.00 61.69 59.53 3fnj s THR 83 Cb 0.33 -2.43 0.18 0.00 1.34 0.00 0.00 72.50 71.92 3fnj s THR 83 CO -0.14 0.00 1.25 0.35 -0.54 0.00 0.00 174.62 175.54 3fnj n THR 84 N -0.34 0.00 -0.22 3.99 -2.24 -1.26 -4.51 114.28 109.70 3fnj n THR 84 Ca 0.01 -0.46 -0.06 0.00 -2.27 0.00 0.00 64.05 61.27 3fnj n THR 84 Cb 0.64 1.44 0.04 0.00 -2.10 0.00 0.00 70.33 70.36 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 4.38 0.74 -0.66 3.22 4.07 -1.96 0.92 115.31 126.02 3fnj h LEU 85 Ca 0.00 -0.06 -0.03 0.00 0.08 0.00 0.00 57.88 57.87 3fnj h LEU 85 Cb 0.96 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.48 3fnj h LEU 85 CO 0.00 0.58 0.27 1.23 -1.08 0.00 0.00 178.44 179.44 3fnj h GLY 86 N 0.84 1.05 1.28 0.83 0.00 -1.94 -1.72 103.07 103.41 3fnj h GLY 86 Ca 0.22 -0.56 -0.14 0.00 0.00 0.00 0.00 47.33 46.85 3fnj h GLY 86 CO -0.04 0.53 -0.34 0.50 0.00 0.00 0.00 176.54 177.19 3fnj h LYS 87 N 0.92 0.80 0.20 4.80 1.57 -1.76 0.69 116.57 123.80 3fnj h LYS 87 Ca 0.22 -0.39 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3fnj h LYS 87 Cb 0.19 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3fnj h LYS 87 CO -0.02 1.02 -0.33 1.15 -0.57 0.00 0.00 179.45 180.70 3fnj h THR 88 N 0.67 0.31 -0.31 -0.16 2.02 -0.53 0.20 112.91 115.11 3fnj h THR 88 Ca 0.07 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.27 3fnj h THR 88 Cb 0.89 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 3fnj h THR 88 CO 0.08 0.00 0.16 0.00 0.37 0.00 0.00 175.52 176.13 3fnj h ALA 89 N -0.01 0.38 -0.99 6.16 0.00 -1.25 -2.67 119.26 120.88 3fnj h ALA 89 Ca 0.01 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3fnj h ALA 89 Cb 0.60 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3fnj h ALA 89 CO -0.14 -0.22 0.64 1.25 0.00 0.00 0.00 179.25 180.78 3fnj h LEU 90 N 0.33 1.05 -1.01 0.00 5.85 -0.41 -1.48 115.31 119.64 3fnj h LEU 90 Ca 0.13 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 3fnj h LEU 90 Cb 0.03 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3fnj h LEU 90 CO -0.08 0.70 0.12 0.25 -0.34 0.00 0.00 178.44 179.09 3fnj h LEU 91 N 1.21 0.78 0.15 2.25 5.85 -0.29 -0.74 115.31 124.52 3fnj h LEU 91 Ca 0.40 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 3fnj h LEU 91 Cb 0.06 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.89 3fnj h LEU 91 CO -0.14 0.77 -0.07 0.58 -0.34 0.00 0.00 178.44 179.24 3fnj h VAL 92 N 0.80 0.99 -0.43 1.05 2.07 -1.15 -1.82 116.25 117.77 3fnj h VAL 92 Ca 0.17 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 67.09 3fnj h VAL 92 Cb 0.31 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3fnj h VAL 92 CO 0.00 0.15 0.24 -0.07 0.02 0.00 0.00 177.57 177.91 3fnj h LEU 93 N -0.50 0.38 -0.92 2.57 3.38 -1.13 -0.85 115.31 118.24 3fnj h LEU 93 Ca -0.02 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 3fnj h LEU 93 Cb 0.39 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3fnj h LEU 93 CO 0.03 0.27 -0.22 -0.07 0.09 0.00 0.00 178.44 178.54 3fnj h LEU 94 N 0.49 0.54 -0.50 1.67 3.38 -1.19 0.15 115.31 119.85 3fnj h LEU 94 Ca 0.17 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3fnj h LEU 94 Cb 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3fnj h LEU 94 CO -0.09 0.76 -0.18 0.28 0.09 0.00 0.00 178.44 179.30 3fnj h SER 95 N 0.48 1.02 0.00 -0.43 0.02 -0.95 -2.32 113.55 111.37 3fnj h SER 95 Ca 0.07 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 3fnj h SER 95 Cb 0.65 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3fnj h SER 95 CO 0.05 1.17 0.00 0.00 -1.14 0.00 0.00 176.83 176.91 3fnj n ALA 96 N -2.51 2.17 -0.71 3.77 0.00 -0.36 -4.81 120.51 118.06 3fnj n ALA 96 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3fnj n ALA 96 Cb 0.44 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 0.18 0.72 3.86 0.00 0.00 -0.87 -5.05 105.19 104.03 3fnj n GLY 97 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.52 3.52 -0.32 1.61 0.08 0.52 -4.98 117.98 115.89 3fnj s PHE 98 Ca 0.00 1.36 -0.10 0.00 0.12 0.00 0.00 56.93 58.30 3fnj s PHE 98 Cb 0.00 -2.76 -0.01 0.00 -0.57 0.00 0.00 43.02 39.68 3fnj s PHE 98 CO 0.00 -0.64 0.18 -2.00 -0.10 0.00 0.00 175.22 172.66 3fnj s GLU 99 N -4.80 3.33 0.23 0.44 2.56 -1.26 -4.14 118.70 115.06 3fnj s GLU 99 Ca 0.57 -0.73 -0.03 0.00 0.00 0.00 0.00 54.97 54.77 3fnj s GLU 99 Cb -0.11 -3.64 -0.03 0.00 2.00 0.00 0.00 34.13 32.35 3fnj s GLU 99 CO 0.47 -0.45 0.23 0.00 -0.56 0.00 0.00 175.26 174.95 3fnj s ALA 100 N 1.63 0.88 0.26 6.30 0.00 -1.26 -0.47 121.76 129.10 3fnj s ALA 100 Ca 0.05 -1.53 -0.16 0.00 0.00 0.00 0.00 51.96 50.32 3fnj s ALA 100 Cb -0.17 1.31 0.01 0.00 0.00 0.00 0.00 23.12 24.27 3fnj s ALA 100 CO 0.07 -0.66 0.57 0.71 0.00 0.00 0.00 175.76 176.45 3fnj s TYR 101 N -4.03 0.13 -0.14 0.00 2.02 0.88 -4.90 117.35 111.31 3fnj s TYR 101 Ca 0.35 -0.53 -0.03 0.00 -0.37 0.00 0.00 57.07 56.49 3fnj s TYR 101 Cb 0.05 0.39 -0.03 0.00 -0.40 0.00 0.00 41.96 41.97 3fnj s TYR 101 CO 0.13 -1.08 -0.02 -2.00 -1.57 0.00 0.00 175.55 171.00 3fnj s GLU 102 N -3.97 3.51 -0.34 -0.62 2.12 -0.07 -1.27 118.70 118.06 3fnj s GLU 102 Ca 0.17 -0.48 -0.28 0.00 0.36 0.00 0.00 54.97 54.74 3fnj s GLU 102 Cb -0.03 -2.90 -0.02 0.00 0.26 0.00 0.00 34.13 31.45 3fnj s GLU 102 CO 0.08 0.36 1.79 -1.17 -0.54 0.00 0.00 175.26 175.78 3fnj s LEU 103 N 0.04 3.51 0.21 2.70 2.96 -0.20 -1.43 118.68 126.46 3fnj s LEU 103 Ca 0.01 1.27 -0.32 0.00 -0.22 0.00 0.00 54.13 54.87 3fnj s LEU 103 Cb -0.13 -3.49 -0.13 0.00 0.50 0.00 0.00 46.19 42.93 3fnj s LEU 103 CO 0.02 -1.71 1.53 0.00 -1.32 0.00 0.00 176.35 174.88 3fnj n ALA 104 N 10.26 1.55 0.00 5.97 0.00 -0.52 -1.00 120.51 136.77 3fnj n ALA 104 Ca 0.23 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.09 3fnj n ALA 104 Cb 0.47 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.57 3fnj n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fnj n GLY 105 N 2.85 3.18 7.00 0.00 0.00 -1.26 -4.35 105.19 112.60 3fnj n GLY 105 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.85 0.00 -0.02 4.61 0.00 -0.17 -0.66 120.51 123.42 3fnj n ALA 106 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3fnj n ALA 106 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 0.14 -0.70 0.00 5.85 -1.39 -1.62 115.31 117.60 3fnj h LEU 107 Ca 0.00 -0.19 0.15 0.00 0.84 0.00 0.00 57.88 58.68 3fnj h LEU 107 Cb 0.00 -0.04 -0.11 0.00 0.37 0.00 0.00 40.66 40.88 3fnj h LEU 107 CO 0.00 0.30 0.09 -0.33 -0.34 0.00 0.00 178.44 178.16 3fnj h GLU 108 N -0.02 0.19 -0.61 1.25 5.08 -1.50 0.23 114.58 119.20 3fnj h GLU 108 Ca 0.03 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3fnj h GLU 108 Cb 0.20 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3fnj h GLU 108 CO -0.00 0.12 0.30 0.78 -1.00 0.00 0.00 179.01 179.21 3fnj h GLY 109 N 0.19 0.94 0.85 -3.84 0.00 -0.67 0.01 103.07 100.55 3fnj h GLY 109 Ca 0.38 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3fnj h GLY 109 CO -0.54 0.44 0.03 -0.25 0.00 0.00 0.00 176.54 176.22 3fnj h TRP 110 N 0.83 0.14 0.00 5.60 2.91 0.07 -2.84 115.95 122.67 3fnj h TRP 110 Ca 0.21 -0.01 -0.07 0.00 1.13 0.00 0.00 58.89 60.14 3fnj h TRP 110 Cb 0.11 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.71 3fnj h TRP 110 CO -0.00 0.27 -0.35 0.87 -1.03 0.00 0.00 178.44 178.19 3fnj h LYS 111 N -0.02 0.00 -1.73 2.65 1.57 -0.56 -2.25 116.57 116.23 3fnj h LYS 111 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3fnj h LYS 111 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3fnj h LYS 111 CO -0.00 0.35 0.00 0.41 -0.57 0.00 0.00 179.45 179.64 3fnj n GLY 112 N -0.20 1.36 0.15 3.86 0.00 -0.02 -4.56 105.19 105.79 3fnj n GLY 112 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 1.24 0.00 -1.34 1.61 1.13 -1.09 -5.09 117.38 113.84 3fnj n GLN 114 Ca 0.00 -0.17 -0.33 0.00 -1.94 0.00 0.00 57.00 54.56 3fnj n GLN 114 Cb 0.28 -0.13 0.10 0.00 0.11 0.00 0.00 30.24 30.59 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 0.00 3.20 -0.23 1.08 1.02 -0.87 -4.88 118.68 117.99 3fnj s LEU 115 Ca 0.00 2.14 -0.37 0.00 0.02 0.00 0.00 54.13 55.92 3fnj s LEU 115 Cb 0.00 -4.56 -0.13 0.00 0.02 0.00 0.00 46.19 41.51 3fnj s LEU 115 CO 0.00 -2.23 1.89 -0.81 0.02 0.00 0.00 176.35 175.22 3fnj n PRO 116 N -3.07 1.49 -4.34 1.29 -0.04 -1.26 -4.72 135.00 124.36 3fnj n PRO 116 Ca 0.12 0.53 -0.18 0.00 -0.04 0.00 0.00 63.50 63.92 3fnj n PRO 116 Cb 0.51 -2.37 -0.15 0.00 -0.04 0.00 0.00 33.50 31.46 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 4.54 0.69 -0.08 0.52 0.11 -1.26 -2.46 120.40 122.45 3fnj s VAL 117 Ca 0.99 -0.41 0.05 0.00 -2.93 0.00 0.00 61.98 59.68 3fnj s VAL 117 Cb -0.90 -0.58 -0.01 0.00 -1.53 0.00 0.00 36.38 33.36 3fnj s VAL 117 CO 0.58 0.17 -0.23 -1.83 -3.33 0.00 0.00 175.10 170.45 3fnj s GLU 118 N -0.28 2.80 0.41 1.54 -1.05 -0.01 -4.76 118.70 117.36 3fnj s GLU 118 Ca 0.03 -0.87 -0.25 0.00 -0.15 0.00 0.00 54.97 53.73 3fnj s GLU 118 Cb -0.04 -2.26 -0.08 0.00 -0.44 0.00 0.00 34.13 31.31 3fnj s GLU 118 CO -0.00 0.30 1.13 -0.08 0.95 0.00 0.00 175.26 177.56 3fnj s THR 119 N 0.05 3.32 -1.26 1.83 -1.32 -1.26 -2.36 115.64 114.64 3fnj s THR 119 Ca -0.10 1.06 0.10 0.00 -1.21 0.00 0.00 61.69 61.54 3fnj s THR 119 Cb -0.15 -3.57 0.08 0.00 -1.51 0.00 0.00 72.50 67.34 3fnj s THR 119 CO 0.06 0.05 0.82 0.00 -2.21 0.00 0.00 174.62 173.34