#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rfj n ALA 1 N 0.00 0.00 -2.00 -5.12 0.00 -1.26 -4.91 120.51 107.22 1rfj n ALA 1 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rfj n ALA 1 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1rfj n ALA 1 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1rfj n ASP 2 N 0.00 0.00 -3.59 0.00 -0.08 -1.26 -5.10 116.55 106.52 1rfj n ASP 2 Ca 0.00 0.00 -0.48 0.00 -1.51 0.00 0.00 54.79 52.80 1rfj n ASP 2 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 1rfj n ASP 2 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1rfj n GLN 3 N 0.00 0.00 -3.95 -0.67 -0.06 -1.26 -4.94 117.38 106.50 1rfj n GLN 3 Ca 0.00 0.00 -0.27 0.00 -2.00 0.00 0.00 57.00 54.73 1rfj n GLN 3 Cb 0.00 -1.18 -0.03 0.00 -4.06 0.00 0.00 30.24 24.96 1rfj n GLN 3 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1rfj s LEU 4 N 0.47 4.33 0.64 1.69 1.43 -1.26 -5.10 118.68 120.87 1rfj s LEU 4 Ca 0.74 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.90 1rfj s LEU 4 Cb -1.04 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 1rfj s LEU 4 CO 0.49 0.06 1.04 0.42 0.23 0.00 0.00 176.35 178.59 1rfj s THR 5 N -1.72 4.51 0.21 5.49 -4.23 -1.26 -4.90 115.64 113.75 1rfj s THR 5 Ca 0.34 0.84 -0.09 0.00 -1.18 0.00 0.00 61.69 61.60 1rfj s THR 5 Cb -0.11 -3.73 0.15 0.00 1.34 0.00 0.00 72.50 70.15 1rfj s THR 5 CO 0.28 -1.04 1.85 -0.08 -0.54 0.00 0.00 174.62 175.09 1rfj h GLU 6 N -0.36 0.84 -0.73 3.99 4.81 -1.99 -1.60 114.58 119.54 1rfj h GLU 6 Ca -0.44 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.68 1rfj h GLU 6 Cb 1.20 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 1rfj h GLU 6 CO 0.61 0.56 0.23 0.22 -0.73 0.00 0.00 179.01 179.89 1rfj h ASP 7 N 0.86 1.06 -0.45 1.04 -0.00 -1.99 0.18 116.42 117.13 1rfj h ASP 7 Ca 0.30 -0.21 -0.01 0.00 -0.00 0.00 0.00 57.03 57.11 1rfj h ASP 7 Cb 0.05 -0.28 -0.02 0.00 -0.00 0.00 0.00 39.33 39.08 1rfj h ASP 7 CO -0.12 0.98 0.25 1.56 -0.00 0.00 0.00 179.24 181.91 1rfj h GLN 8 N 1.08 0.62 0.03 0.28 4.20 -1.82 -1.24 115.11 118.26 1rfj h GLN 8 Ca 0.24 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 1rfj h GLN 8 Cb 0.30 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1rfj h GLN 8 CO -0.01 0.49 -0.02 0.82 -0.67 0.00 0.00 178.83 179.45 1rfj h ILE 9 N 0.59 1.05 -0.85 2.54 2.04 -0.98 -1.28 117.51 120.62 1rfj h ILE 9 Ca 0.16 -0.27 0.10 0.00 1.00 0.00 0.00 64.86 65.85 1rfj h ILE 9 Cb 0.05 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 1rfj h ILE 9 CO -0.03 0.07 0.55 0.77 0.00 0.00 0.00 178.15 179.51 1rfj h SER 10 N -0.16 0.72 0.12 1.72 4.64 -0.83 -0.36 113.55 119.41 1rfj h SER 10 Ca -0.00 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1rfj h SER 10 Cb 0.15 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1rfj h SER 10 CO 0.01 0.42 -0.06 -0.08 -0.87 0.00 0.00 176.83 176.25 1rfj h GLU 11 N 0.80 -0.16 -0.83 4.77 4.57 -0.95 -2.22 114.58 120.55 1rfj h GLU 11 Ca 0.39 0.01 0.20 0.00 -1.18 0.00 0.00 59.36 58.78 1rfj h GLU 11 Cb 0.45 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.03 1rfj h GLU 11 CO -0.16 0.21 0.56 0.74 -1.18 0.00 0.00 179.01 179.19 1rfj h PHE 12 N -0.57 0.37 -0.51 0.92 0.04 -0.48 0.32 116.94 117.03 1rfj h PHE 12 Ca -0.02 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 1rfj h PHE 12 Cb 0.45 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 1rfj h PHE 12 CO 0.05 0.11 -0.11 0.87 -0.60 0.00 0.00 178.31 178.63 1rfj h LYS 13 N 0.28 0.96 -0.46 1.51 1.57 -0.78 0.49 116.57 120.13 1rfj h LYS 13 Ca 0.42 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1rfj h LYS 13 Cb 1.19 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1rfj h LYS 13 CO -0.11 1.01 0.18 1.49 -0.57 0.00 0.00 179.45 181.45 1rfj h GLU 14 N 0.85 0.70 0.80 3.15 4.81 0.19 -0.58 114.58 124.50 1rfj h GLU 14 Ca 0.14 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1rfj h GLU 14 Cb 0.65 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1rfj h GLU 14 CO 0.05 0.63 -0.44 0.00 -0.73 0.00 0.00 179.01 178.52 1rfj h ALA 15 N 1.03 -1.16 -1.04 2.92 0.00 -1.02 -2.24 119.26 117.75 1rfj h ALA 15 Ca 0.15 -0.24 0.28 0.00 0.00 0.00 0.00 54.91 55.10 1rfj h ALA 15 Cb 0.20 0.51 -0.12 0.00 0.00 0.00 0.00 17.79 18.38 1rfj h ALA 15 CO -0.01 -1.16 0.63 0.35 0.00 0.00 0.00 179.25 179.06 1rfj h PHE 16 N -1.14 0.86 -0.13 0.00 3.04 -0.79 0.58 116.94 119.37 1rfj h PHE 16 Ca -0.11 0.03 0.04 0.00 3.98 0.00 0.00 57.97 61.91 1rfj h PHE 16 Cb 0.90 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 39.16 1rfj h PHE 16 CO -0.06 0.00 0.11 1.03 -2.02 0.00 0.00 178.31 177.37 1rfj h SER 17 N 0.45 0.00 -0.00 0.41 0.87 -0.48 0.08 113.55 114.87 1rfj h SER 17 Ca 0.66 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 61.05 1rfj h SER 17 Cb 1.48 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.46 1rfj h SER 17 CO -0.44 0.00 -0.66 -0.07 -0.53 0.00 0.00 176.83 175.13 1rfj h LEU 18 N 0.00 0.59 -0.59 2.23 3.38 0.36 -3.27 115.31 118.01 1rfj h LEU 18 Ca 0.06 -0.76 -0.04 0.00 0.09 0.00 0.00 57.88 57.23 1rfj h LEU 18 Cb 0.28 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1rfj h LEU 18 CO -0.00 1.27 0.20 -0.26 0.09 0.00 0.00 178.44 179.74 1rfj h PHE 19 N -0.03 0.93 0.00 1.13 0.04 -1.15 -3.31 116.94 114.55 1rfj h PHE 19 Ca -0.08 -0.09 -0.64 0.00 2.80 0.00 0.00 57.97 59.96 1rfj h PHE 19 Cb 1.37 -0.27 0.01 0.00 2.20 0.00 0.00 35.95 39.25 1rfj h PHE 19 CO 0.14 0.76 2.93 -3.47 -0.60 0.00 0.00 178.31 178.08 1rfj n ASP 20 N -4.43 4.41 -0.32 2.17 4.64 -0.08 -4.74 116.55 118.20 1rfj n ASP 20 Ca 0.03 -2.67 0.23 0.00 -1.38 0.00 0.00 54.79 51.00 1rfj n ASP 20 Cb 0.19 -1.40 0.44 0.00 -1.04 0.00 0.00 41.12 39.32 1rfj n ASP 20 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1rfj h LYS 21 N 6.45 0.10 -0.64 -0.67 1.79 -1.77 0.66 116.57 122.49 1rfj h LYS 21 Ca 0.57 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.03 1rfj h LYS 21 Cb 0.52 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1rfj h LYS 21 CO 1.83 0.07 0.00 -0.40 -1.08 0.00 0.00 179.45 179.87 1rfj n ASP 22 N -5.27 4.41 -3.63 0.86 5.68 -1.26 -4.96 116.55 112.37 1rfj n ASP 22 Ca 0.30 -2.45 -0.25 0.00 -0.50 0.00 0.00 54.79 51.89 1rfj n ASP 22 Cb 0.99 -0.56 -0.04 0.00 -1.14 0.00 0.00 41.12 40.37 1rfj n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rfj n GLY 23 N 0.99 -0.45 0.41 6.12 0.00 0.23 -4.81 105.19 107.67 1rfj n GLY 23 Ca 0.23 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.44 1rfj n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rfj n ASP 24 N -2.12 1.26 0.00 1.61 3.85 -1.26 -4.91 116.55 114.98 1rfj n ASP 24 Ca 0.05 -1.48 0.00 0.00 -0.71 0.00 0.00 54.79 52.65 1rfj n ASP 24 Cb 0.49 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 40.23 1rfj n ASP 24 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1rfj n GLY 25 N 1.12 0.61 3.00 6.12 0.00 -1.26 -5.07 105.19 109.72 1rfj n GLY 25 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 1rfj n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rfj s ILE 27 N -0.75 5.30 0.40 0.00 1.01 0.16 -4.80 121.20 122.52 1rfj s ILE 27 Ca -0.08 0.39 0.06 0.00 0.00 0.00 0.00 60.65 61.02 1rfj s ILE 27 Cb -0.05 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1rfj s ILE 27 CO 0.00 0.31 0.56 0.42 0.00 0.00 0.00 174.94 176.23 1rfj s THR 28 N 1.14 3.47 0.16 2.92 -4.23 -1.26 -1.19 115.64 116.64 1rfj s THR 28 Ca 0.12 -0.93 -0.16 0.00 -1.18 0.00 0.00 61.69 59.55 1rfj s THR 28 Cb -0.14 -3.20 0.02 0.00 1.34 0.00 0.00 72.50 70.52 1rfj s THR 28 CO 0.06 -0.09 1.80 0.71 -0.54 0.00 0.00 174.62 176.56 1rfj h THR 29 N 0.66 1.05 -0.28 3.99 1.35 -1.89 0.47 112.91 118.27 1rfj h THR 29 Ca -0.43 -0.17 0.06 0.00 -0.55 0.00 0.00 66.41 65.32 1rfj h THR 29 Cb 1.27 0.52 -0.06 0.00 -1.73 0.00 0.00 68.15 68.15 1rfj h THR 29 CO 0.50 0.09 -0.09 0.50 -0.25 0.00 0.00 175.52 176.27 1rfj h LYS 30 N 0.49 -0.03 -0.39 4.72 3.64 -1.96 0.54 116.57 123.58 1rfj h LYS 30 Ca 0.16 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.49 1rfj h LYS 30 Cb -0.00 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1rfj h LYS 30 CO -0.07 -0.02 0.04 0.93 -2.27 0.00 0.00 179.45 178.06 1rfj h GLU 31 N -0.03 0.59 -0.27 1.90 5.08 -1.79 -1.51 114.58 118.56 1rfj h GLU 31 Ca 0.14 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1rfj h GLU 31 Cb 0.23 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1rfj h GLU 31 CO -0.30 0.59 -0.10 1.25 -1.00 0.00 0.00 179.01 179.45 1rfj h LEU 32 N 0.57 0.55 -0.44 1.33 5.85 0.54 -2.61 115.31 121.11 1rfj h LEU 32 Ca 0.12 -0.39 0.07 0.00 0.84 0.00 0.00 57.88 58.53 1rfj h LEU 32 Cb 0.31 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1rfj h LEU 32 CO 0.01 0.82 0.08 1.23 -0.34 0.00 0.00 178.44 180.23 1rfj h GLY 33 N 0.29 0.51 0.21 3.75 0.00 0.49 0.44 103.07 108.75 1rfj h GLY 33 Ca 0.06 -0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.46 1rfj h GLY 33 CO 0.03 -0.06 -0.09 -0.84 0.00 0.00 0.00 176.54 175.58 1rfj h THR 34 N 0.20 0.61 -0.45 4.70 2.02 -1.20 0.25 112.91 119.04 1rfj h THR 34 Ca 0.22 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.36 1rfj h THR 34 Cb 0.28 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1rfj h THR 34 CO -0.29 0.00 0.15 0.58 0.37 0.00 0.00 175.52 176.33 1rfj h VAL 35 N 0.01 1.22 0.50 3.16 2.07 -0.90 -2.21 116.25 120.10 1rfj h VAL 35 Ca 0.19 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1rfj h VAL 35 Cb 0.29 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1rfj h VAL 35 CO -0.41 0.26 -0.30 0.24 0.02 0.00 0.00 177.57 177.38 1rfj h MET 36 N 0.59 -0.73 -0.43 1.57 2.86 0.75 -2.96 114.93 116.58 1rfj h MET 36 Ca 0.15 0.05 0.08 0.00 -2.06 0.00 0.00 59.70 57.92 1rfj h MET 36 Cb 0.25 0.17 -0.07 0.00 0.06 0.00 0.00 31.60 32.00 1rfj h MET 36 CO -0.01 -0.49 -0.04 0.00 1.06 0.00 0.00 176.91 177.44 1rfj h ARG 37 N -0.76 0.07 0.00 1.72 3.08 -0.53 -0.14 114.38 117.82 1rfj h ARG 37 Ca -0.06 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1rfj h ARG 37 Cb 0.62 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1rfj h ARG 37 CO 0.06 0.04 0.22 0.66 -1.07 0.00 0.00 179.97 179.89 1rfj h SER 38 N 0.07 0.00 -0.47 7.04 4.64 -1.28 0.52 113.55 124.08 1rfj h SER 38 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1rfj h SER 38 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1rfj h SER 38 CO -0.39 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.75 1rfj n LEU 39 N -2.85 3.02 0.00 5.97 4.77 -0.08 -4.92 117.00 122.91 1rfj n LEU 39 Ca -0.02 -1.42 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 1rfj n LEU 39 Cb 0.27 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1rfj n LEU 39 CO 0.14 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1rfj n GLY 40 N 1.41 0.95 3.62 -0.72 0.00 0.18 -5.09 105.19 105.55 1rfj n GLY 40 Ca 0.19 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 1rfj n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rfj s GLN 41 N -2.44 1.96 -0.42 1.61 -0.21 -1.12 -5.02 119.66 114.01 1rfj s GLN 41 Ca 0.00 -2.12 0.07 0.00 0.02 0.00 0.00 55.36 53.33 1rfj s GLN 41 Cb 0.00 -1.58 0.25 0.00 1.00 0.00 0.00 33.01 32.68 1rfj s GLN 41 CO 0.00 -0.08 0.68 0.09 -2.12 0.00 0.00 175.29 173.85 1rfj n ASN 42 N -0.98 -0.91 -4.75 5.90 4.13 -1.26 -3.76 115.26 113.64 1rfj n ASN 42 Ca -0.06 -2.95 -0.37 0.00 1.68 0.00 0.00 54.58 52.88 1rfj n ASN 42 Cb 0.67 0.28 0.03 0.00 -1.54 0.00 0.00 39.78 39.22 1rfj n ASN 42 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 1rfj s PRO 43 N -0.57 3.12 0.54 3.52 0.02 -1.26 -5.00 135.00 135.37 1rfj s PRO 43 Ca 0.34 2.01 -0.14 0.00 0.02 0.00 0.00 61.00 63.23 1rfj s PRO 43 Cb 0.20 -2.13 -0.06 0.00 0.02 0.00 0.00 34.50 32.53 1rfj s PRO 43 CO -0.15 -1.14 0.98 0.95 -0.33 0.00 0.00 177.00 177.32 1rfj s THR 44 N -1.44 4.62 0.55 0.99 -4.23 -1.26 -4.84 115.64 110.02 1rfj s THR 44 Ca 0.73 1.04 0.26 0.00 -1.18 0.00 0.00 61.69 62.55 1rfj s THR 44 Cb -0.35 -3.78 0.38 0.00 1.34 0.00 0.00 72.50 70.10 1rfj s THR 44 CO 0.40 -0.84 2.01 -0.08 -0.54 0.00 0.00 174.62 175.57 1rfj h GLU 45 N 0.50 0.00 -0.03 3.99 4.57 -2.00 0.16 114.58 121.77 1rfj h GLU 45 Ca -0.46 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.55 1rfj h GLU 45 Cb 1.19 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 1rfj h GLU 45 CO 0.62 0.00 -0.76 0.00 -1.18 0.00 0.00 179.01 177.69 1rfj h ALA 46 N 1.71 0.66 -0.02 2.92 0.00 -1.99 -2.56 119.26 119.98 1rfj h ALA 46 Ca 0.20 -0.64 -0.20 0.00 0.00 0.00 0.00 54.91 54.28 1rfj h ALA 46 Cb 0.89 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.62 1rfj h ALA 46 CO -0.00 0.83 -0.76 0.93 0.00 0.00 0.00 179.25 180.24 1rfj h GLU 47 N 0.15 0.54 -0.72 0.00 5.08 -1.10 -2.36 114.58 116.18 1rfj h GLU 47 Ca -0.03 -0.56 0.02 0.00 -1.00 0.00 0.00 59.36 57.79 1rfj h GLU 47 Cb 1.33 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.70 1rfj h GLU 47 CO 0.12 1.19 0.47 -0.07 -1.00 0.00 0.00 179.01 179.71 1rfj h LEU 48 N 0.12 0.79 -1.27 1.33 3.38 -1.20 0.57 115.31 119.04 1rfj h LEU 48 Ca -0.09 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1rfj h LEU 48 Cb 1.44 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1rfj h LEU 48 CO 0.15 0.56 -0.11 1.56 0.09 0.00 0.00 178.44 180.69 1rfj h GLN 49 N 0.93 0.37 0.25 1.13 1.08 -1.47 -0.89 115.11 116.51 1rfj h GLN 49 Ca 0.27 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 1rfj h GLN 49 Cb -0.06 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 1rfj h GLN 49 CO -0.08 0.49 -0.12 -0.44 -0.95 0.00 0.00 178.83 177.73 1rfj h ASP 50 N 0.35 -0.28 -0.64 1.46 3.32 -0.73 0.21 116.42 120.11 1rfj h ASP 50 Ca 0.07 -0.23 0.13 0.00 0.02 0.00 0.00 57.03 57.02 1rfj h ASP 50 Cb 0.41 0.07 -0.10 0.00 0.22 0.00 0.00 39.33 39.94 1rfj h ASP 50 CO 0.02 0.13 0.10 0.24 -1.72 0.00 0.00 179.24 178.01 1rfj h MET 51 N -0.75 0.20 0.08 3.56 2.86 -0.74 0.59 114.93 120.74 1rfj h MET 51 Ca -0.03 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1rfj h MET 51 Cb 0.50 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1rfj h MET 51 CO 0.06 0.14 -0.04 0.82 1.06 0.00 0.00 176.91 178.95 1rfj h ILE 52 N 0.21 1.10 -0.82 -1.22 1.08 -1.14 -3.07 117.51 113.65 1rfj h ILE 52 Ca 0.34 -0.64 0.06 0.00 -0.39 0.00 0.00 64.86 64.23 1rfj h ILE 52 Cb 0.55 1.52 -0.05 0.00 -3.07 0.00 0.00 36.82 35.77 1rfj h ILE 52 CO -0.47 0.16 0.54 0.78 -0.69 0.00 0.00 178.15 178.46 1rfj h ASN 53 N -0.39 0.81 0.92 1.72 -0.26 0.52 0.92 115.58 119.82 1rfj h ASN 53 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1rfj h ASN 53 Cb 0.34 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.43 1rfj h ASN 53 CO 0.02 0.53 0.00 -0.33 -1.06 0.00 0.00 177.43 176.59 1rfj h GLU 54 N 0.92 0.00 0.00 0.81 5.08 0.16 -3.01 114.58 118.54 1rfj h GLU 54 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1rfj h GLU 54 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1rfj h GLU 54 CO -0.12 0.00 -1.59 0.28 -1.00 0.00 0.00 179.01 176.58 1rfj n VAL 55 N -2.93 0.00 -2.36 3.13 0.31 -0.59 -4.83 118.33 111.06 1rfj n VAL 55 Ca 0.01 -0.33 -0.37 0.00 -0.01 0.00 0.00 64.34 63.64 1rfj n VAL 55 Cb 0.28 0.25 -0.03 0.00 -0.91 0.00 0.00 33.84 33.44 1rfj n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1rfj s ASP 56 N -3.65 6.05 0.30 4.52 3.68 0.22 -4.82 116.67 122.97 1rfj s ASP 56 Ca -0.04 -2.03 -0.00 0.00 2.13 0.00 0.00 52.55 52.61 1rfj s ASP 56 Cb 0.10 -2.58 0.49 0.00 -1.45 0.00 0.00 42.92 39.49 1rfj s ASP 56 CO 0.66 -1.99 1.92 0.00 0.13 0.00 0.00 175.17 175.89 1rfj h ALA 57 N 8.67 1.48 -0.28 3.66 0.00 -1.88 -2.12 119.26 128.78 1rfj h ALA 57 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1rfj h ALA 57 Cb 0.91 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1rfj h ALA 57 CO 1.36 0.40 0.00 -0.40 0.00 0.00 0.00 179.25 180.61 1rfj n ASP 58 N -4.47 2.08 -2.13 0.00 3.85 -1.26 -4.95 116.55 109.66 1rfj n ASP 58 Ca 0.13 -1.84 -0.18 0.00 -0.71 0.00 0.00 54.79 52.19 1rfj n ASP 58 Cb 0.16 -0.18 -0.03 0.00 -1.35 0.00 0.00 41.12 39.72 1rfj n ASP 58 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1rfj n GLY 59 N 1.19 0.19 0.44 6.12 0.00 -0.80 -4.86 105.19 107.47 1rfj n GLY 59 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 1rfj n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rfj n ASN 60 N -1.66 1.31 0.00 1.61 6.94 -1.26 -4.92 115.26 117.28 1rfj n ASN 60 Ca -0.20 -1.82 0.00 0.00 -0.02 0.00 0.00 54.58 52.54 1rfj n ASN 60 Cb 0.64 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 1rfj n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rfj n GLY 61 N 0.98 2.00 3.30 4.83 0.00 -1.26 -5.04 105.19 109.99 1rfj n GLY 61 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 1rfj n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rfj s THR 62 N -2.34 0.57 -0.25 2.61 -4.23 -1.26 -4.76 115.64 105.98 1rfj s THR 62 Ca 0.00 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.42 1rfj s THR 62 Cb 0.00 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 1rfj s THR 62 CO 0.00 -0.12 0.14 -0.63 -0.54 0.00 0.00 174.62 173.48 1rfj s ILE 63 N -3.74 5.05 0.38 2.99 -1.09 -0.33 -4.70 121.20 119.75 1rfj s ILE 63 Ca 0.34 0.08 0.04 0.00 -2.23 0.00 0.00 60.65 58.88 1rfj s ILE 63 Cb 0.07 -3.37 0.07 0.00 -1.58 0.00 0.00 42.46 37.65 1rfj s ILE 63 CO 0.11 0.32 0.53 -0.90 -1.23 0.00 0.00 174.94 173.77 1rfj n ASP 64 N 4.66 1.16 0.24 3.58 3.85 -1.26 0.38 116.55 129.17 1rfj n ASP 64 Ca -0.15 -1.87 -0.16 0.00 -0.71 0.00 0.00 54.79 51.90 1rfj n ASP 64 Cb 0.52 -0.30 -0.08 0.00 -1.35 0.00 0.00 41.12 39.91 1rfj n ASP 64 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 1rfj h PHE 65 N -0.11 -0.54 -0.70 2.11 3.04 -2.00 -1.03 116.94 117.73 1rfj h PHE 65 Ca -0.18 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 61.84 1rfj h PHE 65 Cb 0.76 0.18 -0.04 0.00 2.56 0.00 0.00 35.95 39.40 1rfj h PHE 65 CO 0.00 -0.30 0.46 -1.00 -2.02 0.00 0.00 178.31 175.45 1rfj h PRO 66 N -0.65 0.62 -0.31 6.41 0.13 -1.96 0.66 132.00 136.90 1rfj h PRO 66 Ca -0.06 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.98 1rfj h PRO 66 Cb 0.48 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 1rfj h PRO 66 CO 0.10 0.41 -0.02 0.93 -0.23 0.00 0.00 178.00 179.19 1rfj h GLU 67 N 0.64 0.57 -0.57 0.86 5.08 -1.86 -0.40 114.58 118.89 1rfj h GLU 67 Ca 0.31 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1rfj h GLU 67 Cb 0.39 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1rfj h GLU 67 CO -0.10 0.72 0.30 0.35 -1.00 0.00 0.00 179.01 179.28 1rfj h PHE 68 N 0.36 0.79 -0.48 4.33 3.57 0.08 -2.76 116.94 122.83 1rfj h PHE 68 Ca 0.09 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1rfj h PHE 68 Cb 0.47 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1rfj h PHE 68 CO 0.04 0.59 0.22 1.25 -2.23 0.00 0.00 178.31 178.18 1rfj h LEU 69 N 0.77 0.65 -1.47 0.59 5.85 0.51 -2.28 115.31 119.92 1rfj h LEU 69 Ca 0.20 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1rfj h LEU 69 Cb 0.06 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1rfj h LEU 69 CO -0.03 0.61 -0.10 0.78 -0.34 0.00 0.00 178.44 179.35 1rfj h ASN 70 N 0.64 0.20 0.13 1.25 2.35 -0.96 0.86 115.58 120.05 1rfj h ASN 70 Ca 0.16 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1rfj h ASN 70 Cb 0.15 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1rfj h ASN 70 CO -0.02 0.33 -0.06 0.25 -1.65 0.00 0.00 177.43 176.28 1rfj h LEU 71 N 0.21 -0.15 -1.63 1.61 5.85 -1.25 -2.54 115.31 117.40 1rfj h LEU 71 Ca 0.04 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1rfj h LEU 71 Cb 0.32 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1rfj h LEU 71 CO 0.02 0.30 0.07 0.24 -0.34 0.00 0.00 178.44 178.73 1rfj h MET 72 N -0.64 0.31 -0.52 1.25 2.86 -1.16 -1.44 114.93 115.59 1rfj h MET 72 Ca -0.02 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.47 1rfj h MET 72 Cb 0.49 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1rfj h MET 72 CO 0.03 0.28 -0.15 0.00 1.06 0.00 0.00 176.91 178.13 1rfj h ALA 73 N 1.77 0.74 -0.42 6.32 0.00 -0.81 0.15 119.26 127.00 1rfj h ALA 73 Ca 0.08 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1rfj h ALA 73 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1rfj h ALA 73 CO -0.01 0.67 -0.17 -0.09 0.00 0.00 0.00 179.25 179.65 1rfj h ARG 74 N 0.89 0.81 -0.32 0.00 9.65 -0.94 -1.14 114.38 123.33 1rfj h ARG 74 Ca 0.13 -0.31 -0.15 0.00 -1.10 0.00 0.00 59.98 58.55 1rfj h ARG 74 Cb 0.73 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.25 1rfj h ARG 74 CO 0.06 0.93 -0.40 0.87 2.80 0.00 0.00 179.97 184.23 1rfj h LYS 75 N 0.72 0.78 0.15 0.20 1.79 -1.08 -1.73 116.57 117.41 1rfj h LYS 75 Ca 0.11 -0.41 -0.01 0.00 -2.18 0.00 0.00 60.65 58.16 1rfj h LYS 75 Cb 0.68 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 1rfj h LYS 75 CO 0.05 1.04 -0.07 1.98 -1.08 0.00 0.00 179.45 181.37 1rfj h MET 76 N 0.64 -0.19 -0.59 3.15 4.05 -0.42 -1.07 114.93 120.49 1rfj h MET 76 Ca 0.05 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.45 1rfj h MET 76 Cb 0.96 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.77 1rfj h MET 76 CO 0.09 -0.08 0.24 -0.22 0.23 0.00 0.00 176.91 177.17 1rfj h LYS 77 N -0.25 0.86 -0.10 0.39 3.64 -1.18 0.54 116.57 120.46 1rfj h LYS 77 Ca -0.02 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1rfj h LYS 77 Cb 0.20 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1rfj h LYS 77 CO 0.03 0.70 0.04 -0.44 -2.27 0.00 0.00 179.45 177.52 1rfj h ASP 78 N 0.85 0.13 -0.18 4.20 3.45 -1.09 -0.42 116.42 123.36 1rfj h ASP 78 Ca 0.20 -0.13 0.02 0.00 0.43 0.00 0.00 57.03 57.55 1rfj h ASP 78 Cb 0.16 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 38.87 1rfj h ASP 78 CO -0.02 0.23 0.03 0.74 -1.57 0.00 0.00 179.24 178.65 1rfj h THR 79 N 0.02 0.91 0.02 0.35 2.02 -0.77 -1.56 112.91 113.90 1rfj h THR 79 Ca 0.03 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1rfj h THR 79 Cb 0.13 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1rfj h THR 79 CO -0.00 0.02 -0.17 0.44 0.37 0.00 0.00 175.52 176.17 1rfj h ASP 80 N 0.10 -0.50 -0.37 4.18 3.45 -0.71 0.37 116.42 122.95 1rfj h ASP 80 Ca 0.08 0.07 0.08 0.00 0.43 0.00 0.00 57.03 57.69 1rfj h ASP 80 Cb 0.08 0.20 -0.08 0.00 -0.56 0.00 0.00 39.33 38.98 1rfj h ASP 80 CO -0.12 -0.24 -0.13 0.28 -1.57 0.00 0.00 179.24 177.46 1rfj h SER 81 N -0.30 -0.47 -0.15 6.45 0.02 -0.83 0.58 113.55 118.85 1rfj h SER 81 Ca 0.05 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1rfj h SER 81 Cb 0.35 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 1rfj h SER 81 CO -0.15 -0.17 0.10 -0.08 -1.14 0.00 0.00 176.83 175.39 1rfj h GLU 82 N -0.06 0.21 -0.22 3.45 4.81 -0.90 -1.67 114.58 120.19 1rfj h GLU 82 Ca 0.18 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1rfj h GLU 82 Cb 0.34 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1rfj h GLU 82 CO -0.41 0.15 0.02 0.93 -0.73 0.00 0.00 179.01 178.97 1rfj h GLU 83 N 0.20 0.32 -0.11 1.92 4.39 0.70 -1.10 114.58 120.90 1rfj h GLU 83 Ca 0.06 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.59 1rfj h GLU 83 Cb -0.01 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1rfj h GLU 83 CO -0.01 0.32 -0.46 0.93 -1.16 0.00 0.00 179.01 178.63 1rfj h GLU 84 N 0.31 0.27 -0.33 2.33 5.08 0.61 0.08 114.58 122.94 1rfj h GLU 84 Ca 0.08 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 1rfj h GLU 84 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1rfj h GLU 84 CO 0.00 0.67 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.31 1rfj h LEU 85 N 0.22 0.83 -0.55 1.33 3.38 -0.36 -1.86 115.31 118.30 1rfj h LEU 85 Ca 0.01 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 1rfj h LEU 85 Cb 0.90 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1rfj h LEU 85 CO 0.07 1.12 0.18 0.11 0.09 0.00 0.00 178.44 180.02 1rfj h LYS 86 N 0.55 0.84 -0.39 1.13 1.57 -0.98 -1.59 116.57 117.70 1rfj h LYS 86 Ca 0.05 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1rfj h LYS 86 Cb 0.88 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 1rfj h LYS 86 CO 0.08 0.76 0.23 0.93 -0.57 0.00 0.00 179.45 180.88 1rfj h GLU 87 N 0.75 0.52 -0.50 3.15 5.08 -0.89 -1.77 114.58 120.92 1rfj h GLU 87 Ca 0.18 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1rfj h GLU 87 Cb 0.26 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1rfj h GLU 87 CO -0.01 0.39 0.27 0.00 -1.00 0.00 0.00 179.01 178.66 1rfj h ALA 88 N 1.10 0.65 -0.48 3.43 0.00 -1.22 -0.67 119.26 122.08 1rfj h ALA 88 Ca 0.14 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1rfj h ALA 88 Cb -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1rfj h ALA 88 CO -0.03 -0.06 0.29 0.35 0.00 0.00 0.00 179.25 179.81 1rfj h PHE 89 N 0.53 0.55 -0.93 0.00 3.57 -1.00 -1.76 116.94 117.91 1rfj h PHE 89 Ca 0.22 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.79 1rfj h PHE 89 Cb 0.09 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 1rfj h PHE 89 CO -0.09 0.32 0.60 0.00 -2.23 0.00 0.00 178.31 176.92 1rfj h ARG 90 N 0.59 1.05 -0.43 1.11 3.08 -0.55 0.52 114.38 119.75 1rfj h ARG 90 Ca 0.19 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1rfj h ARG 90 Cb -0.00 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 1rfj h ARG 90 CO -0.08 0.70 0.23 0.28 -1.07 0.00 0.00 179.97 180.03 1rfj h VAL 91 N 1.09 1.16 -0.20 2.04 2.07 -0.31 -3.11 116.25 118.99 1rfj h VAL 91 Ca 0.39 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 1rfj h VAL 91 Cb 0.15 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1rfj h VAL 91 CO -0.14 0.17 -0.07 -0.26 0.02 0.00 0.00 177.57 177.29 1rfj h PHE 92 N 0.56 0.45 -0.23 1.57 0.04 -0.72 -3.35 116.94 115.26 1rfj h PHE 92 Ca 0.15 -0.10 -0.53 0.00 2.80 0.00 0.00 57.97 60.29 1rfj h PHE 92 Cb 0.06 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.11 1rfj h PHE 92 CO -0.02 0.67 1.84 -3.47 -0.60 0.00 0.00 178.31 176.72 1rfj n ASP 93 N -4.60 2.92 -0.28 2.17 4.64 0.11 -4.68 116.55 116.83 1rfj n ASP 93 Ca -0.05 -2.71 0.07 0.00 -1.38 0.00 0.00 54.79 50.72 1rfj n ASP 93 Cb 0.30 -1.42 0.22 0.00 -1.04 0.00 0.00 41.12 39.18 1rfj n ASP 93 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 1rfj h LYS 94 N 8.53 0.54 -0.47 -0.67 3.64 -1.75 -1.16 116.57 125.23 1rfj h LYS 94 Ca 0.35 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 1rfj h LYS 94 Cb 0.79 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1rfj h LYS 94 CO 1.64 0.36 0.00 -0.40 -2.27 0.00 0.00 179.45 178.78 1rfj n ASP 95 N -4.92 2.52 -4.09 4.20 5.68 -1.26 -4.95 116.55 113.73 1rfj n ASP 95 Ca 0.16 -2.02 -0.34 0.00 -0.50 0.00 0.00 54.79 52.10 1rfj n ASP 95 Cb 0.44 -0.32 -0.00 0.00 -1.14 0.00 0.00 41.12 40.10 1rfj n ASP 95 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rfj n GLN 96 N 0.84 -4.14 -0.04 0.11 6.02 -0.44 -4.87 117.38 114.86 1rfj n GLN 96 Ca 0.16 0.47 0.12 0.00 -0.01 0.00 0.00 57.00 57.73 1rfj n GLN 96 Cb 0.40 -5.25 0.24 0.00 1.02 0.00 0.00 30.24 26.66 1rfj n GLN 96 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1rfj n ASN 97 N -2.74 2.61 0.00 1.08 6.94 -1.26 -4.93 115.26 116.96 1rfj n ASN 97 Ca 0.05 -1.86 0.00 0.00 -0.02 0.00 0.00 54.58 52.75 1rfj n ASN 97 Cb 0.51 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 1rfj n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rfj n GLY 98 N 1.32 0.57 3.02 4.83 0.00 -1.26 -5.07 105.19 108.60 1rfj n GLY 98 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 1rfj n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rfj s PHE 99 N -2.29 0.48 -0.26 1.61 0.40 -1.26 -4.09 117.98 112.56 1rfj s PHE 99 Ca 0.00 -0.47 -0.10 0.00 -0.60 0.00 0.00 56.93 55.77 1rfj s PHE 99 Cb 0.00 -0.30 -0.04 0.00 0.51 0.00 0.00 43.02 43.18 1rfj s PHE 99 CO 0.00 -0.11 0.14 0.42 0.70 0.00 0.00 175.22 176.37 1rfj s ILE 100 N -1.28 4.96 0.41 0.64 1.01 0.41 -4.67 121.20 122.68 1rfj s ILE 100 Ca -0.11 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.61 1rfj s ILE 100 Cb -0.09 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 1rfj s ILE 100 CO -0.00 0.29 0.61 -0.94 0.00 0.00 0.00 174.94 174.90 1rfj s SER 101 N 1.61 5.93 0.21 3.58 1.04 -1.26 -0.81 113.70 124.00 1rfj s SER 101 Ca 0.07 0.21 -0.10 0.00 0.48 0.00 0.00 55.95 56.61 1rfj s SER 101 Cb -0.15 -1.54 0.23 0.00 0.10 0.00 0.00 66.02 64.65 1rfj s SER 101 CO 0.08 -0.58 1.80 0.00 0.98 0.00 0.00 173.24 175.52 1rfj h ALA 102 N 0.56 0.86 -0.91 5.32 0.00 -1.94 0.41 119.26 123.55 1rfj h ALA 102 Ca -0.47 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1rfj h ALA 102 Cb 1.25 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1rfj h ALA 102 CO 0.57 0.02 0.59 0.00 0.00 0.00 0.00 179.25 180.44 1rfj h ALA 103 N 1.34 1.16 -0.35 0.00 0.00 -1.98 -0.44 119.26 118.99 1rfj h ALA 103 Ca 0.29 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 1rfj h ALA 103 Cb 0.18 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1rfj h ALA 103 CO -0.18 0.57 -0.37 0.93 0.00 0.00 0.00 179.25 180.20 1rfj h GLU 104 N 1.24 0.82 -0.51 0.00 5.08 -1.66 -1.33 114.58 118.22 1rfj h GLU 104 Ca 0.33 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1rfj h GLU 104 Cb -0.12 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1rfj h GLU 104 CO -0.07 1.05 0.23 1.25 -1.00 0.00 0.00 179.01 180.47 1rfj h LEU 105 N 0.67 0.68 -0.25 1.33 5.85 -0.47 0.41 115.31 123.53 1rfj h LEU 105 Ca 0.06 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1rfj h LEU 105 Cb 0.93 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1rfj h LEU 105 CO 0.09 0.64 0.13 -0.09 -0.34 0.00 0.00 178.44 178.86 1rfj h ARG 106 N 0.68 0.36 0.39 1.25 2.43 -0.99 -0.65 114.38 117.85 1rfj h ARG 106 Ca 0.17 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1rfj h ARG 106 Cb 0.15 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1rfj h ARG 106 CO -0.02 0.35 -0.19 1.25 -1.51 0.00 0.00 179.97 179.85 1rfj h HIS 107 N 0.28 -0.49 -0.74 2.20 2.76 -0.96 -1.84 115.15 116.37 1rfj h HIS 107 Ca 0.09 -0.01 0.15 0.00 -2.20 0.00 0.00 60.37 58.40 1rfj h HIS 107 Cb 0.10 0.16 -0.10 0.00 1.55 0.00 0.00 27.41 29.12 1rfj h HIS 107 CO -0.03 -0.30 0.22 0.28 -1.30 0.00 0.00 177.93 176.81 1rfj h VAL 108 N -0.56 0.57 0.18 5.26 2.07 -1.00 -1.63 116.25 121.14 1rfj h VAL 108 Ca -0.05 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1rfj h VAL 108 Cb 0.40 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1rfj h VAL 108 CO 0.09 0.06 -0.23 -0.03 0.02 0.00 0.00 177.57 177.48 1rfj h MET 109 N 0.33 -0.41 -0.96 1.57 -1.53 -1.10 -1.93 114.93 110.90 1rfj h MET 109 Ca 0.41 0.03 0.16 0.00 -3.44 0.00 0.00 59.70 56.86 1rfj h MET 109 Cb 0.68 0.09 -0.16 0.00 -0.55 0.00 0.00 31.60 31.66 1rfj h MET 109 CO -0.46 -0.27 -0.36 1.15 0.14 0.00 0.00 176.91 177.11 1rfj h THR 110 N -0.42 0.02 0.00 -0.77 2.02 -0.07 1.71 112.91 115.40 1rfj h THR 110 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1rfj h THR 110 Cb 0.38 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1rfj h THR 110 CO -0.06 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.42 1rfj n ASN 111 N -5.50 0.00 -0.53 4.18 4.13 -0.66 -1.21 115.26 115.67 1rfj n ASN 111 Ca 0.11 -0.41 0.06 0.00 1.68 0.00 0.00 54.58 56.02 1rfj n ASN 111 Cb 0.42 0.00 0.08 0.00 -1.54 0.00 0.00 39.78 38.73 1rfj n ASN 111 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1rfj n LEU 112 N -0.89 2.24 0.00 3.41 0.00 0.58 -4.94 117.00 117.40 1rfj n LEU 112 Ca 0.06 -1.25 0.00 0.00 0.00 0.00 0.00 56.01 54.82 1rfj n LEU 112 Cb 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 43.42 43.39 1rfj n LEU 112 CO 0.05 0.47 0.00 0.61 0.00 0.00 0.00 177.39 178.51 1rfj n GLY 113 N 0.64 0.79 2.76 -3.96 0.00 -0.35 -5.05 105.19 100.02 1rfj n GLY 113 Ca 0.08 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 1rfj n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rfj s GLU 114 N -1.26 0.74 -0.33 1.61 2.56 -1.08 -5.02 118.70 115.91 1rfj s GLU 114 Ca 0.00 -0.43 -0.09 0.00 0.00 0.00 0.00 54.97 54.45 1rfj s GLU 114 Cb 0.00 -2.07 0.01 0.00 2.00 0.00 0.00 34.13 34.07 1rfj s GLU 114 CO 0.00 -0.61 0.15 0.15 -0.56 0.00 0.00 175.26 174.39 1rfj s LYS 115 N 1.83 3.02 0.18 4.30 1.02 -1.26 -0.78 119.74 128.03 1rfj s LYS 115 Ca -0.01 -0.93 0.06 0.00 0.02 0.00 0.00 55.97 55.11 1rfj s LYS 115 Cb -0.17 -3.58 -0.04 0.00 -0.52 0.00 0.00 37.83 33.53 1rfj s LYS 115 CO -0.08 -0.56 0.11 -0.51 -0.92 0.00 0.00 175.35 173.40 1rfj s LEU 116 N 1.54 3.68 0.84 3.17 1.43 -1.26 -5.05 118.68 123.03 1rfj s LEU 116 Ca 0.03 -0.21 -0.10 0.00 -1.03 0.00 0.00 54.13 52.81 1rfj s LEU 116 Cb -0.18 -2.29 0.15 0.00 0.03 0.00 0.00 46.19 43.90 1rfj s LEU 116 CO 0.05 0.06 1.18 0.42 0.23 0.00 0.00 176.35 178.29 1rfj s THR 117 N -1.80 2.08 0.11 5.49 -4.23 -1.26 -4.87 115.64 111.16 1rfj s THR 117 Ca 0.30 -0.19 -0.19 0.00 -1.18 0.00 0.00 61.69 60.43 1rfj s THR 117 Cb -0.10 -2.89 -0.07 0.00 1.34 0.00 0.00 72.50 70.79 1rfj s THR 117 CO 0.22 0.00 1.69 0.44 -0.54 0.00 0.00 174.62 176.44 1rfj h ASP 118 N -1.13 0.29 -0.72 3.99 3.45 -2.00 -1.86 116.42 118.43 1rfj h ASP 118 Ca -0.43 -0.10 0.07 0.00 0.43 0.00 0.00 57.03 57.00 1rfj h ASP 118 Cb 1.27 -0.07 -0.06 0.00 -0.56 0.00 0.00 39.33 39.90 1rfj h ASP 118 CO 0.45 0.31 0.41 -0.08 -1.57 0.00 0.00 179.24 178.76 1rfj h GLU 119 N 0.24 0.71 -0.50 3.56 4.57 -2.00 -1.89 114.58 119.28 1rfj h GLU 119 Ca 0.08 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 1rfj h GLU 119 Cb 0.09 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 1rfj h GLU 119 CO -0.01 0.47 0.16 0.93 -1.18 0.00 0.00 179.01 179.38 1rfj h GLU 120 N 0.73 0.78 0.23 1.92 5.08 -1.88 -1.64 114.58 119.80 1rfj h GLU 120 Ca 0.33 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1rfj h GLU 120 Cb 0.22 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1rfj h GLU 120 CO -0.20 0.73 -0.14 0.28 -1.00 0.00 0.00 179.01 178.69 1rfj h VAL 121 N 0.68 0.72 -0.81 3.13 2.07 -0.88 -1.10 116.25 120.06 1rfj h VAL 121 Ca 0.16 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 1rfj h VAL 121 Cb 0.27 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1rfj h VAL 121 CO -0.01 0.00 0.38 0.44 0.02 0.00 0.00 177.57 178.40 1rfj h ASP 122 N -0.35 1.07 -0.77 0.57 3.32 -1.29 -1.71 116.42 117.26 1rfj h ASP 122 Ca -0.02 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 1rfj h ASP 122 Cb 0.29 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1rfj h ASP 122 CO 0.03 0.91 0.33 -0.33 -1.72 0.00 0.00 179.24 178.46 1rfj h GLU 123 N 1.15 1.13 -0.63 3.56 5.08 -1.15 0.58 114.58 124.31 1rfj h GLU 123 Ca 0.28 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1rfj h GLU 123 Cb 0.14 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1rfj h GLU 123 CO -0.03 0.91 0.27 0.52 -1.00 0.00 0.00 179.01 179.67 1rfj h MET 124 N 1.10 0.93 0.18 2.33 2.86 -0.82 0.23 114.93 121.73 1rfj h MET 124 Ca 0.26 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1rfj h MET 124 Cb 0.18 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1rfj h MET 124 CO -0.02 0.77 -0.09 0.82 1.06 0.00 0.00 176.91 179.45 1rfj h ILE 125 N 0.87 0.87 -0.71 -1.22 1.08 -0.89 -2.91 117.51 114.61 1rfj h ILE 125 Ca 0.21 -0.20 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 1rfj h ILE 125 Cb 0.18 1.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.87 1rfj h ILE 125 CO -0.02 0.05 0.39 0.03 -0.69 0.00 0.00 178.15 177.91 1rfj h ARG 126 N -0.34 0.69 -0.90 2.37 3.08 -0.56 0.18 114.38 118.90 1rfj h ARG 126 Ca -0.02 -0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.10 1rfj h ARG 126 Cb 0.26 -0.16 -0.07 0.00 0.08 0.00 0.00 29.97 30.09 1rfj h ARG 126 CO 0.04 0.46 0.58 0.93 -1.07 0.00 0.00 179.97 180.91 1rfj h GLU 127 N 0.71 0.79 0.00 0.04 5.08 -0.46 -2.61 114.58 118.13 1rfj h GLU 127 Ca 0.32 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1rfj h GLU 127 Cb 0.23 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1rfj h GLU 127 CO -0.20 0.52 -1.27 0.00 -1.00 0.00 0.00 179.01 177.06 1rfj n ALA 128 N -2.41 3.38 -2.35 3.43 0.00 -0.78 -4.78 120.51 117.00 1rfj n ALA 128 Ca 0.16 -0.45 -0.36 0.00 0.00 0.00 0.00 53.44 52.79 1rfj n ALA 128 Cb 0.38 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 1rfj n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1rfj s ASP 129 N -4.06 6.01 0.11 0.00 2.15 0.55 -4.80 116.67 116.63 1rfj s ASP 129 Ca 0.01 -1.93 -0.21 0.00 0.43 0.00 0.00 52.55 50.85 1rfj s ASP 129 Cb 0.14 -2.58 -0.09 0.00 -0.30 0.00 0.00 42.92 40.09 1rfj s ASP 129 CO 0.84 -2.03 1.76 0.58 -0.17 0.00 0.00 175.17 176.15 1rfj h VAL 130 N 6.04 1.04 -0.01 1.11 2.07 -1.86 -2.88 116.25 121.76 1rfj h VAL 130 Ca 0.31 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.76 1rfj h VAL 130 Cb 0.92 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1rfj h VAL 130 CO 1.35 0.04 -0.01 -0.90 0.02 0.00 0.00 177.57 178.07 1rfj n ASP 131 N -4.99 0.54 -2.10 0.57 3.85 -1.26 -4.94 116.55 108.21 1rfj n ASP 131 Ca -0.04 -1.11 -0.19 0.00 -0.71 0.00 0.00 54.79 52.74 1rfj n ASP 131 Cb 0.03 -0.01 -0.01 0.00 -1.35 0.00 0.00 41.12 39.78 1rfj n ASP 131 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1rfj n GLY 132 N 1.09 -0.33 0.48 6.12 0.00 -1.09 -4.90 105.19 106.56 1rfj n GLY 132 Ca 0.21 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1rfj n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rfj n ASP 133 N -1.54 1.48 0.00 1.61 3.85 -1.26 -4.93 116.55 115.76 1rfj n ASP 133 Ca -0.22 -1.56 0.00 0.00 -0.71 0.00 0.00 54.79 52.30 1rfj n ASP 133 Cb 0.67 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 40.40 1rfj n ASP 133 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1rfj n GLY 134 N 1.14 0.75 3.20 6.12 0.00 -1.26 -5.05 105.19 110.09 1rfj n GLY 134 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 1rfj n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rfj s GLN 135 N -0.47 0.88 -0.34 1.61 -2.07 -1.26 -4.60 119.66 113.42 1rfj s GLN 135 Ca 0.00 -1.18 -0.09 0.00 -1.82 0.00 0.00 55.36 52.27 1rfj s GLN 135 Cb 0.00 0.30 0.02 0.00 -1.09 0.00 0.00 33.01 32.23 1rfj s GLN 135 CO 0.00 -0.27 0.16 0.42 -1.32 0.00 0.00 175.29 174.28 1rfj s ILE 136 N -3.94 4.41 0.81 3.63 -1.09 0.01 -4.79 121.20 120.24 1rfj s ILE 136 Ca 0.13 -0.73 -0.09 0.00 -2.23 0.00 0.00 60.65 57.72 1rfj s ILE 136 Cb 0.06 -3.37 0.12 0.00 -1.58 0.00 0.00 42.46 37.69 1rfj s ILE 136 CO -0.05 -0.09 1.14 0.54 -1.23 0.00 0.00 174.94 175.25 1rfj s ASN 137 N 1.55 4.12 0.12 3.58 6.03 -1.26 -0.45 114.94 128.63 1rfj s ASN 137 Ca 0.02 0.30 -0.21 0.00 -1.03 0.00 0.00 52.86 51.95 1rfj s ASN 137 Cb -0.18 -0.67 -0.06 0.00 -3.03 0.00 0.00 41.25 37.31 1rfj s ASN 137 CO 0.05 -2.07 1.72 0.22 -2.03 0.00 0.00 177.10 175.00 1rfj h TYR 138 N -1.00 -0.05 -0.91 1.54 3.20 -1.99 -1.31 116.97 116.45 1rfj h TYR 138 Ca -0.43 0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.57 1rfj h TYR 138 Cb 1.28 0.04 -0.08 0.00 1.54 0.00 0.00 36.73 39.52 1rfj h TYR 138 CO -0.26 -0.05 0.54 -0.44 -1.64 0.00 0.00 178.16 176.32 1rfj h ASP 139 N 0.02 0.78 -0.49 -2.11 3.32 -1.96 0.60 116.42 116.58 1rfj h ASP 139 Ca 0.07 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.07 1rfj h ASP 139 Cb 0.10 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1rfj h ASP 139 CO -0.14 0.41 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.37 1rfj h GLU 140 N 0.86 0.93 -0.34 3.56 5.08 -1.78 -1.11 114.58 121.78 1rfj h GLU 140 Ca 0.46 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1rfj h GLU 140 Cb 0.47 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1rfj h GLU 140 CO -0.27 1.00 0.16 0.35 -1.00 0.00 0.00 179.01 179.25 1rfj h PHE 141 N 0.78 0.50 -0.03 4.33 3.04 -0.33 -1.93 116.94 123.31 1rfj h PHE 141 Ca 0.13 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.05 1rfj h PHE 141 Cb 0.64 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 39.00 1rfj h PHE 141 CO 0.05 0.44 0.01 0.28 -2.02 0.00 0.00 178.31 177.07 1rfj h VAL 142 N 0.41 0.99 -0.55 1.41 2.07 -0.80 -0.02 116.25 119.77 1rfj h VAL 142 Ca 0.12 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.72 1rfj h VAL 142 Cb 0.14 0.97 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 1rfj h VAL 142 CO -0.01 0.00 0.13 0.50 0.02 0.00 0.00 177.57 178.21 1rfj h LYS 143 N 0.02 0.26 -0.03 1.57 3.64 -1.02 -0.38 116.57 120.63 1rfj h LYS 143 Ca 0.01 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.22 1rfj h LYS 143 Cb 0.01 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1rfj h LYS 143 CO -0.01 0.17 -0.68 -0.24 -2.27 0.00 0.00 179.45 176.42 1rfj h VAL 144 N 0.27 1.44 -0.28 2.00 3.04 -1.18 -3.17 116.25 118.37 1rfj h VAL 144 Ca 0.28 -2.21 -0.13 0.00 -1.01 0.00 0.00 66.70 63.63 1rfj h VAL 144 Cb 0.38 2.17 -0.00 0.00 -2.01 0.00 0.00 31.29 31.83 1rfj h VAL 144 CO -0.35 0.64 -0.31 0.24 -1.01 0.00 0.00 177.57 176.78 1rfj h MET 145 N 0.09 0.71 -0.66 4.17 2.86 -0.19 -3.04 114.93 118.87 1rfj h MET 145 Ca -0.01 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 1rfj h MET 145 Cb 1.20 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1rfj h MET 145 CO 0.10 1.00 0.00 -1.33 1.06 0.00 0.00 176.91 177.74 1rfj n MET 146 N -4.24 1.67 0.00 1.72 2.81 -0.23 -5.09 117.12 113.76 1rfj n MET 146 Ca -0.04 -0.63 0.00 0.00 -1.81 0.00 0.00 57.70 55.22 1rfj n MET 146 Cb 0.49 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 1rfj n MET 146 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48