#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cfc n ASP 2 N 0.00 0.00 -4.74 0.00 2.03 -1.26 -4.90 116.55 107.68 1cfc n ASP 2 Ca 0.00 -1.13 -0.38 0.00 0.52 0.00 0.00 54.79 53.80 1cfc n ASP 2 Cb 0.00 -0.03 0.06 0.00 -0.72 0.00 0.00 41.12 40.43 1cfc n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cfc n GLN 3 N 0.00 1.40 -2.73 -0.67 6.02 -1.26 -4.90 117.38 115.23 1cfc n GLN 3 Ca 0.00 0.53 -0.41 0.00 -0.01 0.00 0.00 57.00 57.11 1cfc n GLN 3 Cb 0.53 -2.56 -0.05 0.00 1.02 0.00 0.00 30.24 29.17 1cfc n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1cfc s LEU 4 N -3.97 4.57 0.67 1.08 1.43 -1.26 -5.03 118.68 116.18 1cfc s LEU 4 Ca 0.78 1.88 -0.14 0.00 -1.03 0.00 0.00 54.13 55.61 1cfc s LEU 4 Cb -0.40 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.23 1cfc s LEU 4 CO 0.44 0.04 1.09 0.42 0.23 0.00 0.00 176.35 178.58 1cfc s THR 5 N -0.59 3.40 0.22 5.49 -4.23 -1.26 -4.83 115.64 113.83 1cfc s THR 5 Ca 0.44 0.61 -0.08 0.00 -1.18 0.00 0.00 61.69 61.48 1cfc s THR 5 Cb -0.25 -3.14 0.16 0.00 1.34 0.00 0.00 72.50 70.61 1cfc s THR 5 CO 0.31 -0.45 1.79 -0.33 -0.54 0.00 0.00 174.62 175.41 1cfc h GLU 6 N -0.13 0.63 -0.22 3.99 3.07 -1.99 -1.50 114.58 118.42 1cfc h GLU 6 Ca -0.46 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.35 1cfc h GLU 6 Cb 1.24 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 1cfc h GLU 6 CO 0.54 0.41 0.09 0.93 -1.40 0.00 0.00 179.01 179.59 1cfc h GLU 7 N 0.65 0.33 -1.00 2.33 5.08 -1.98 -0.88 114.58 119.10 1cfc h GLU 7 Ca 0.32 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.73 1cfc h GLU 7 Cb 0.27 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.38 1cfc h GLU 7 CO -0.22 0.37 0.63 1.96 -1.00 0.00 0.00 179.01 180.76 1cfc h GLN 8 N 0.21 1.01 -0.30 2.33 4.20 -1.75 0.40 115.11 121.21 1cfc h GLN 8 Ca 0.07 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.59 1cfc h GLN 8 Cb 0.16 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1cfc h GLN 8 CO -0.01 0.67 -0.36 0.82 -0.67 0.00 0.00 178.83 179.28 1cfc h ILE 9 N 1.04 1.29 -0.04 2.54 2.04 -0.91 -2.71 117.51 120.76 1cfc h ILE 9 Ca 0.48 -1.52 -0.16 0.00 1.00 0.00 0.00 64.86 64.66 1cfc h ILE 9 Cb 0.39 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1cfc h ILE 9 CO -0.24 0.49 -0.68 0.00 0.00 0.00 0.00 178.15 177.72 1cfc h ALA 10 N 1.03 0.79 -0.10 1.87 0.00 0.39 -1.96 119.26 121.28 1cfc h ALA 10 Ca 0.05 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1cfc h ALA 10 Cb 0.89 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1cfc h ALA 10 CO 0.08 0.79 0.02 1.49 0.00 0.00 0.00 179.25 181.63 1cfc h GLU 11 N 0.12 0.16 0.00 0.00 4.81 -0.16 -1.61 114.58 117.91 1cfc h GLU 11 Ca -0.01 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1cfc h GLU 11 Cb 1.21 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1cfc h GLU 11 CO 0.10 0.36 -0.19 0.74 -0.73 0.00 0.00 179.01 179.29 1cfc h PHE 12 N -0.07 0.00 -0.01 0.92 0.04 -1.47 -2.53 116.94 113.83 1cfc h PHE 12 Ca 0.03 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 1cfc h PHE 12 Cb 0.27 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.42 1cfc h PHE 12 CO 0.01 0.19 0.00 -0.22 -0.60 0.00 0.00 178.31 177.69 1cfc h LYS 13 N 0.00 0.01 -0.56 1.51 3.64 -0.65 0.28 116.57 120.80 1cfc h LYS 13 Ca -0.00 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1cfc h LYS 13 Cb 0.36 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 1cfc h LYS 13 CO 0.02 0.23 0.29 0.93 -2.27 0.00 0.00 179.45 178.66 1cfc h GLU 14 N -0.22 0.54 -0.16 1.90 5.08 -0.98 0.19 114.58 120.93 1cfc h GLU 14 Ca 0.00 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1cfc h GLU 14 Cb 0.23 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1cfc h GLU 14 CO 0.00 0.35 -0.12 0.00 -1.00 0.00 0.00 179.01 178.24 1cfc h ALA 15 N 1.31 1.50 -0.10 3.43 0.00 -1.21 -1.54 119.26 122.65 1cfc h ALA 15 Ca 0.25 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 1cfc h ALA 15 Cb 0.16 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1cfc h ALA 15 CO -0.17 0.35 -0.63 0.35 0.00 0.00 0.00 179.25 179.15 1cfc h PHE 16 N 0.24 0.82 -0.12 0.00 3.57 0.14 -3.22 116.94 118.38 1cfc h PHE 16 Ca 0.05 -0.38 -0.09 0.00 3.53 0.00 0.00 57.97 61.08 1cfc h PHE 16 Cb 0.37 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1cfc h PHE 16 CO 0.01 1.18 -0.34 0.66 -2.23 0.00 0.00 178.31 177.58 1cfc h SER 17 N 0.23 0.24 -0.08 0.41 4.64 -0.46 -2.72 113.55 115.82 1cfc h SER 17 Ca -0.05 -0.09 0.02 0.00 -0.47 0.00 0.00 61.79 61.21 1cfc h SER 17 Cb 1.28 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1cfc h SER 17 CO 0.13 0.57 0.47 -0.07 -0.87 0.00 0.00 176.83 177.06 1cfc h LEU 18 N 0.20 0.00 -2.85 5.97 3.38 -1.29 0.14 115.31 120.86 1cfc h LEU 18 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1cfc h LEU 18 Cb 0.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1cfc h LEU 18 CO 0.05 0.00 -0.09 0.49 0.09 0.00 0.00 178.44 178.99 1cfc n PHE 19 N -2.94 0.00 -2.99 1.13 3.01 -1.03 -4.85 117.46 109.79 1cfc n PHE 19 Ca 0.00 -0.86 -0.43 0.00 1.01 0.00 0.00 57.45 57.17 1cfc n PHE 19 Cb 0.53 -0.14 0.01 0.00 -0.01 0.00 0.00 39.48 39.88 1cfc n PHE 19 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1cfc n ASP 20 N -1.22 6.47 0.00 4.37 2.03 0.47 -4.69 116.55 123.98 1cfc n ASP 20 Ca 0.14 -3.43 0.12 0.00 0.52 0.00 0.00 54.79 52.14 1cfc n ASP 20 Cb 0.65 -1.27 0.67 0.00 -0.72 0.00 0.00 41.12 40.45 1cfc n ASP 20 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1cfc n LYS 21 N 1.26 0.60 -0.10 -0.67 4.76 -1.26 -2.61 118.16 120.14 1cfc n LYS 21 Ca 0.27 0.03 0.12 0.00 -2.87 0.00 0.00 58.31 55.85 1cfc n LYS 21 Cb 0.33 -1.50 0.16 0.00 -1.84 0.00 0.00 35.03 32.18 1cfc n LYS 21 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1cfc n ASP 22 N -1.10 3.22 -1.21 4.39 9.92 -1.26 -4.91 116.55 125.59 1cfc n ASP 22 Ca 0.15 -1.99 -0.09 0.00 -0.53 0.00 0.00 54.79 52.33 1cfc n ASP 22 Cb 0.12 -0.13 -0.04 0.00 -0.64 0.00 0.00 41.12 40.43 1cfc n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cfc n GLY 23 N 1.43 0.90 1.10 0.44 0.00 -1.07 -4.69 105.19 103.29 1cfc n GLY 23 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1cfc n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cfc n ASP 24 N -0.07 3.32 -1.10 1.61 2.03 -1.26 -4.94 116.55 116.14 1cfc n ASP 24 Ca -0.09 -1.99 -0.10 0.00 0.52 0.00 0.00 54.79 53.12 1cfc n ASP 24 Cb 0.33 -0.18 -0.01 0.00 -0.72 0.00 0.00 41.12 40.53 1cfc n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cfc n GLY 25 N 1.47 0.11 3.17 0.27 0.00 -1.26 -5.01 105.19 103.94 1cfc n GLY 25 Ca 0.18 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 1cfc n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cfc s THR 26 N -2.49 0.06 0.09 2.61 -4.23 -1.26 -3.50 115.64 106.92 1cfc s THR 26 Ca 0.00 -1.95 -0.01 0.00 -1.18 0.00 0.00 61.69 58.55 1cfc s THR 26 Cb 0.00 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.56 1cfc s THR 26 CO 0.00 -0.27 0.02 0.27 -0.54 0.00 0.00 174.62 174.10 1cfc s ILE 27 N -4.10 0.16 0.49 2.99 -4.36 -0.25 -4.43 121.20 111.72 1cfc s ILE 27 Ca 0.30 -1.84 -0.03 0.00 -0.26 0.00 0.00 60.65 58.83 1cfc s ILE 27 Cb 0.07 -1.76 -0.01 0.00 1.25 0.00 0.00 42.46 42.01 1cfc s ILE 27 CO 0.06 -0.74 0.76 0.42 0.24 0.00 0.00 174.94 175.68 1cfc s THR 28 N -3.98 4.18 0.38 8.37 -4.23 -1.26 -0.78 115.64 118.32 1cfc s THR 28 Ca 0.15 -0.18 0.11 0.00 -1.18 0.00 0.00 61.69 60.59 1cfc s THR 28 Cb 0.08 -3.59 0.12 0.00 1.34 0.00 0.00 72.50 70.45 1cfc s THR 28 CO -0.04 -0.51 1.87 0.71 -0.54 0.00 0.00 174.62 176.10 1cfc h THR 29 N 0.20 1.22 0.00 3.99 1.35 -1.87 -2.14 112.91 115.66 1cfc h THR 29 Ca -0.46 -1.02 -0.00 0.00 -0.55 0.00 0.00 66.41 64.38 1cfc h THR 29 Cb 1.24 1.44 -0.00 0.00 -1.73 0.00 0.00 68.15 69.10 1cfc h THR 29 CO 0.60 0.30 -0.00 0.11 -0.25 0.00 0.00 175.52 176.28 1cfc h LYS 30 N 0.13 0.00 -0.71 4.72 1.57 -1.93 -0.43 116.57 119.92 1cfc h LYS 30 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1cfc h LYS 30 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1cfc h LYS 30 CO 0.04 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.31 1cfc n GLU 31 N -4.23 3.10 -0.02 3.15 1.02 -0.81 -4.44 120.64 118.41 1cfc n GLU 31 Ca -0.03 -2.76 -0.13 0.00 -0.02 0.00 0.00 57.16 54.22 1cfc n GLU 31 Cb 0.09 -1.69 -0.10 0.00 -0.02 0.00 0.00 31.44 29.72 1cfc n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1cfc h LEU 32 N 4.25 0.04 -1.43 -4.62 5.85 -0.98 -2.28 115.31 116.13 1cfc h LEU 32 Ca 0.00 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.17 1cfc h LEU 32 Cb 1.16 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1cfc h LEU 32 CO 0.08 0.55 0.11 1.23 -0.34 0.00 0.00 178.44 180.07 1cfc h GLY 33 N -0.48 0.52 1.04 3.75 0.00 -1.78 -1.08 103.07 105.05 1cfc h GLY 33 Ca 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 1cfc h GLY 33 CO 0.00 0.24 -0.06 -0.84 0.00 0.00 0.00 176.54 175.88 1cfc h THR 34 N 0.49 1.27 -0.19 4.70 2.02 -1.79 0.77 112.91 120.17 1cfc h THR 34 Ca 0.12 -1.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.08 1cfc h THR 34 Cb 0.15 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1cfc h THR 34 CO -0.01 0.41 -0.03 0.58 0.37 0.00 0.00 175.52 176.84 1cfc h VAL 35 N 0.79 1.28 -0.45 3.16 2.07 -0.88 -1.45 116.25 120.77 1cfc h VAL 35 Ca 0.13 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1cfc h VAL 35 Cb 0.60 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1cfc h VAL 35 CO 0.04 0.30 0.23 0.24 0.02 0.00 0.00 177.57 178.40 1cfc h MET 36 N 0.10 0.62 0.00 1.57 2.86 -1.10 -1.43 114.93 117.54 1cfc h MET 36 Ca 0.05 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 1cfc h MET 36 Cb 0.47 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1cfc h MET 36 CO 0.02 0.47 -0.52 0.00 1.06 0.00 0.00 176.91 177.94 1cfc h ARG 37 N 0.63 0.00 0.00 1.72 3.08 -0.52 -2.00 114.38 117.29 1cfc h ARG 37 Ca 0.16 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 1cfc h ARG 37 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1cfc h ARG 37 CO -0.02 0.52 -0.29 0.66 -1.07 0.00 0.00 179.97 179.76 1cfc h SER 38 N 0.00 0.00 -0.01 7.04 4.64 -0.17 -1.60 113.55 123.45 1cfc h SER 38 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1cfc h SER 38 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1cfc h SER 38 CO 0.07 0.29 0.00 0.18 -0.87 0.00 0.00 176.83 176.50 1cfc n LEU 39 N -3.88 0.56 0.00 5.97 4.77 -1.03 -4.87 117.00 118.52 1cfc n LEU 39 Ca -0.02 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1cfc n LEU 39 Cb 0.37 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1cfc n LEU 39 CO 0.36 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1cfc n GLY 40 N 1.06 0.73 3.85 -0.72 0.00 -0.60 -5.07 105.19 104.44 1cfc n GLY 40 Ca 0.22 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1cfc n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cfc s GLN 41 N -0.83 3.24 -0.46 1.61 -1.52 -0.78 -5.01 119.66 115.90 1cfc s GLN 41 Ca 0.00 -0.46 0.06 0.00 -1.95 0.00 0.00 55.36 53.01 1cfc s GLN 41 Cb 0.00 -2.95 0.22 0.00 -0.22 0.00 0.00 33.01 30.06 1cfc s GLN 41 CO 0.00 0.63 0.51 -1.71 -0.25 0.00 0.00 175.29 174.47 1cfc n ASN 42 N 0.76 0.82 -4.77 5.90 4.05 -1.26 -3.69 115.26 117.07 1cfc n ASN 42 Ca -0.10 -2.77 -0.38 0.00 0.45 0.00 0.00 54.58 51.79 1cfc n ASN 42 Cb 0.52 -0.63 -0.03 0.00 1.23 0.00 0.00 39.78 40.87 1cfc n ASN 42 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1cfc s PRO 43 N -1.08 4.15 1.05 1.20 0.04 -1.26 -5.02 135.00 134.08 1cfc s PRO 43 Ca 0.34 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.94 1cfc s PRO 43 Cb 0.11 -2.67 0.21 0.00 0.04 0.00 0.00 34.50 32.20 1cfc s PRO 43 CO -0.12 -0.19 1.10 0.95 0.04 0.00 0.00 177.00 178.77 1cfc s THR 44 N -1.49 1.92 0.18 1.26 -4.23 -1.26 -4.79 115.64 107.24 1cfc s THR 44 Ca 0.56 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.96 1cfc s THR 44 Cb -0.27 -2.50 0.10 0.00 1.34 0.00 0.00 72.50 71.17 1cfc s THR 44 CO 0.34 0.00 1.76 -0.33 -0.54 0.00 0.00 174.62 175.86 1cfc h GLU 45 N -2.07 0.93 -0.76 3.99 3.07 -1.99 -1.93 114.58 115.82 1cfc h GLU 45 Ca -0.53 -0.14 -0.05 0.00 -0.50 0.00 0.00 59.36 58.13 1cfc h GLU 45 Cb 1.33 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 29.04 1cfc h GLU 45 CO 0.53 0.75 0.27 0.00 -1.40 0.00 0.00 179.01 179.16 1cfc h ALA 46 N 1.13 1.04 -0.91 3.43 0.00 -1.98 0.19 119.26 122.15 1cfc h ALA 46 Ca 0.22 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1cfc h ALA 46 Cb 0.14 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1cfc h ALA 46 CO -0.03 0.66 0.60 0.93 0.00 0.00 0.00 179.25 181.42 1cfc h GLU 47 N 1.12 1.21 -0.12 0.00 5.08 -1.80 0.75 114.58 120.83 1cfc h GLU 47 Ca 0.25 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1cfc h GLU 47 Cb 0.26 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1cfc h GLU 47 CO -0.01 0.80 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.57 1cfc h LEU 48 N 1.24 0.34 -2.07 1.33 3.38 -0.56 -3.01 115.31 115.96 1cfc h LEU 48 Ca 0.33 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1cfc h LEU 48 Cb -0.14 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1cfc h LEU 48 CO -0.07 0.79 -0.07 1.56 0.09 0.00 0.00 178.44 180.73 1cfc h GLN 49 N -0.10 0.00 -0.13 1.13 1.08 -0.19 -1.84 115.11 115.06 1cfc h GLN 49 Ca 0.01 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.12 1cfc h GLN 49 Cb 0.71 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 1cfc h GLN 49 CO 0.04 0.07 -0.27 -0.44 -0.95 0.00 0.00 178.83 177.28 1cfc h ASP 50 N 0.00 0.46 -0.30 1.46 3.32 -0.74 -1.72 116.42 118.90 1cfc h ASP 50 Ca -0.00 -0.56 -0.10 0.00 0.02 0.00 0.00 57.03 56.39 1cfc h ASP 50 Cb 0.28 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1cfc h ASP 50 CO 0.01 0.94 -0.17 0.24 -1.72 0.00 0.00 179.24 178.54 1cfc h MET 51 N 0.01 0.76 -0.42 3.56 2.86 -1.35 -2.84 114.93 117.51 1cfc h MET 51 Ca 0.00 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1cfc h MET 51 Cb 0.86 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 1cfc h MET 51 CO 0.06 0.88 0.24 0.82 1.06 0.00 0.00 176.91 179.97 1cfc h ILE 52 N 0.67 1.14 -0.39 -1.22 2.04 -1.28 -0.69 117.51 117.80 1cfc h ILE 52 Ca 0.10 -0.35 0.11 0.00 1.00 0.00 0.00 64.86 65.73 1cfc h ILE 52 Cb 0.66 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1cfc h ILE 52 CO 0.05 0.15 0.28 -1.13 0.00 0.00 0.00 178.15 177.50 1cfc h ASN 53 N 0.54 0.00 0.00 1.72 -1.24 -1.07 0.73 115.58 116.27 1cfc h ASN 53 Ca 0.15 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.15 1cfc h ASN 53 Cb 0.03 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.08 1cfc h ASN 53 CO -0.03 0.00 -0.06 -0.33 -1.29 0.00 0.00 177.43 175.72 1cfc h GLU 54 N 0.00 0.00 0.00 6.67 5.08 -1.16 -3.34 114.58 121.83 1cfc h GLU 54 Ca 0.18 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1cfc h GLU 54 Cb 0.74 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1cfc h GLU 54 CO -0.00 0.87 -0.39 0.28 -1.00 0.00 0.00 179.01 178.77 1cfc h VAL 55 N -1.00 1.15 0.00 3.13 2.07 -0.73 -2.80 116.25 118.07 1cfc h VAL 55 Ca -0.02 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.12 1cfc h VAL 55 Cb 0.89 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1cfc h VAL 55 CO -0.01 0.38 0.00 -0.67 0.02 0.00 0.00 177.57 177.29 1cfc n ASP 56 N -3.89 4.74 0.13 0.57 2.03 0.25 -3.91 116.55 116.47 1cfc n ASP 56 Ca -0.01 -2.29 0.01 0.00 0.52 0.00 0.00 54.79 53.01 1cfc n ASP 56 Cb 0.44 -0.97 0.01 0.00 -0.72 0.00 0.00 41.12 39.88 1cfc n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cfc h ALA 57 N 1.26 0.63 0.00 -1.67 0.00 -1.66 -3.08 119.26 114.74 1cfc h ALA 57 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1cfc h ALA 57 Cb 0.99 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1cfc h ALA 57 CO 0.00 0.70 0.00 0.22 0.00 0.00 0.00 179.25 180.17 1cfc h ASP 58 N 0.00 0.00 -0.97 0.00 3.58 -1.87 -3.47 116.42 113.68 1cfc h ASP 58 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1cfc h ASP 58 Cb 1.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.48 1cfc h ASP 58 CO 0.07 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.04 1cfc n GLY 59 N 1.13 0.74 0.00 -0.78 0.00 -1.17 -5.03 105.19 100.08 1cfc n GLY 59 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1cfc n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1cfc n ASN 60 N 0.24 0.00 0.00 1.61 4.13 -1.26 -5.12 115.26 114.86 1cfc n ASN 60 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1cfc n ASN 60 Cb 0.33 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.57 1cfc n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1cfc n GLY 61 N 2.17 -0.01 3.13 7.41 0.00 -1.26 -5.06 105.19 111.57 1cfc n GLY 61 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1cfc n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cfc s THR 62 N 0.00 0.15 -0.01 2.61 -4.23 -1.26 -3.07 115.64 109.83 1cfc s THR 62 Ca 0.00 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1cfc s THR 62 Cb 0.00 -1.81 0.02 0.00 1.34 0.00 0.00 72.50 72.04 1cfc s THR 62 CO 0.00 -0.69 0.02 -0.63 -0.54 0.00 0.00 174.62 172.77 1cfc s ILE 63 N -3.99 -0.03 0.36 2.99 1.01 0.04 -4.85 121.20 116.72 1cfc s ILE 63 Ca 0.17 0.12 0.07 0.00 0.00 0.00 0.00 60.65 61.01 1cfc s ILE 63 Cb 0.08 -0.05 -0.00 0.00 0.01 0.00 0.00 42.46 42.49 1cfc s ILE 63 CO -0.03 0.05 0.49 1.51 0.00 0.00 0.00 174.94 176.96 1cfc s ASP 64 N 0.62 5.88 0.18 3.58 1.47 -1.26 -1.08 116.67 126.04 1cfc s ASP 64 Ca -0.05 -0.25 -0.13 0.00 1.18 0.00 0.00 52.55 53.30 1cfc s ASP 64 Cb -0.07 -1.08 0.08 0.00 -0.34 0.00 0.00 42.92 41.50 1cfc s ASP 64 CO -0.02 -0.51 1.80 0.15 0.68 0.00 0.00 175.17 177.27 1cfc h PHE 65 N 0.84 0.78 -0.20 2.11 3.57 -1.97 -0.95 116.94 121.13 1cfc h PHE 65 Ca -0.44 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.09 1cfc h PHE 65 Cb 1.26 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.70 1cfc h PHE 65 CO 0.42 0.56 -0.11 -1.35 -2.23 0.00 0.00 178.31 175.60 1cfc h PRO 66 N 0.78 -0.09 -0.11 6.41 0.11 -1.96 0.84 132.00 137.98 1cfc h PRO 66 Ca 0.21 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.28 1cfc h PRO 66 Cb 0.02 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 1cfc h PRO 66 CO -0.03 -0.06 -0.11 0.93 -0.21 0.00 0.00 178.00 178.52 1cfc h GLU 67 N -0.09 0.17 -0.45 1.05 5.08 -1.93 -1.29 114.58 117.11 1cfc h GLU 67 Ca 0.11 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1cfc h GLU 67 Cb 0.26 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1cfc h GLU 67 CO -0.26 0.28 -0.01 0.35 -1.00 0.00 0.00 179.01 178.37 1cfc h PHE 68 N 0.16 0.79 0.00 4.33 3.57 0.48 -1.21 116.94 125.07 1cfc h PHE 68 Ca 0.03 -0.11 -0.06 0.00 3.53 0.00 0.00 57.97 61.37 1cfc h PHE 68 Cb 0.30 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1cfc h PHE 68 CO 0.00 0.74 -0.27 -0.07 -2.23 0.00 0.00 178.31 176.49 1cfc h LEU 69 N 0.69 0.00 -1.15 0.59 3.38 0.22 -1.69 115.31 117.36 1cfc h LEU 69 Ca 0.14 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1cfc h LEU 69 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1cfc h LEU 69 CO 0.02 0.27 -0.31 0.74 0.09 0.00 0.00 178.44 179.24 1cfc h THR 70 N 0.00 0.83 0.03 0.22 2.02 -0.75 -0.23 112.91 115.03 1cfc h THR 70 Ca -0.00 -1.28 -0.12 0.00 0.77 0.00 0.00 66.41 65.77 1cfc h THR 70 Cb 0.61 1.79 0.01 0.00 -1.74 0.00 0.00 68.15 68.81 1cfc h THR 70 CO 0.03 0.31 -0.51 0.24 0.37 0.00 0.00 175.52 175.97 1cfc h MET 71 N 0.00 0.28 -0.20 6.66 2.86 -0.99 -2.58 114.93 120.96 1cfc h MET 71 Ca -0.00 -0.35 -0.08 0.00 -2.06 0.00 0.00 59.70 57.21 1cfc h MET 71 Cb 0.76 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 1cfc h MET 71 CO 0.04 1.08 -0.23 0.52 1.06 0.00 0.00 176.91 179.38 1cfc h MET 72 N -0.35 0.36 -0.10 1.72 2.07 -1.32 -2.57 114.93 114.73 1cfc h MET 72 Ca -0.07 -0.12 -0.14 0.00 -2.07 0.00 0.00 59.70 57.30 1cfc h MET 72 Cb 1.28 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.97 1cfc h MET 72 CO 0.10 0.57 -0.54 0.00 1.07 0.00 0.00 176.91 178.11 1cfc h ALA 73 N 1.44 0.89 0.00 6.32 0.00 -1.08 -1.33 119.26 125.50 1cfc h ALA 73 Ca 0.05 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1cfc h ALA 73 Cb 0.59 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1cfc h ALA 73 CO 0.04 0.69 -0.26 0.00 0.00 0.00 0.00 179.25 179.71 1cfc h ARG 74 N 0.23 0.00 0.02 0.00 2.47 -1.06 -3.26 114.38 112.78 1cfc h ARG 74 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1cfc h ARG 74 Cb 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 1cfc h ARG 74 CO 0.09 0.26 -0.01 0.87 0.56 0.00 0.00 179.97 181.74 1cfc h LYS 75 N 0.00 -0.02 -0.99 0.04 1.79 -1.27 -3.41 116.57 112.70 1cfc h LYS 75 Ca -0.00 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.63 1cfc h LYS 75 Cb 0.50 0.01 -0.16 0.00 -1.58 0.00 0.00 32.23 30.99 1cfc h LYS 75 CO 0.03 -0.01 -0.38 -1.33 -1.08 0.00 0.00 179.45 176.68 1cfc n MET 76 N -3.12 -0.22 -0.02 3.15 2.81 -0.53 -0.17 117.12 119.01 1cfc n MET 76 Ca -0.00 1.53 0.14 0.00 -1.81 0.00 0.00 57.70 57.55 1cfc n MET 76 Cb 0.01 -2.27 0.21 0.00 -0.71 0.00 0.00 33.22 30.47 1cfc n MET 76 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1cfc n LYS 77 N -5.47 0.02 -0.17 0.03 2.85 -1.23 0.17 118.16 114.35 1cfc n LYS 77 Ca 0.11 0.76 -0.01 0.00 -1.05 0.00 0.00 58.31 58.11 1cfc n LYS 77 Cb 0.40 -1.94 0.07 0.00 -0.65 0.00 0.00 35.03 32.92 1cfc n LYS 77 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1cfc h ASP 78 N 0.00 -0.09 -0.13 -5.58 1.82 -0.85 0.10 116.42 111.70 1cfc h ASP 78 Ca 0.24 0.11 -0.08 0.00 -0.39 0.00 0.00 57.03 56.91 1cfc h ASP 78 Cb 1.98 0.17 -0.04 0.00 0.68 0.00 0.00 39.33 42.12 1cfc h ASP 78 CO -0.00 -0.02 0.11 1.07 -1.61 0.00 0.00 179.24 178.78 1cfc n THR 79 N -5.17 1.95 -0.84 2.25 5.66 0.13 -4.88 114.28 113.38 1cfc n THR 79 Ca 0.06 -0.65 -0.35 0.00 -3.05 0.00 0.00 64.05 60.06 1cfc n THR 79 Cb 0.28 -1.31 0.10 0.00 -1.55 0.00 0.00 70.33 67.85 1cfc n THR 79 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1cfc n ASP 80 N 0.93 -2.88 0.19 1.09 5.68 0.36 -4.82 116.55 117.11 1cfc n ASP 80 Ca 0.08 -0.02 0.12 0.00 -0.50 0.00 0.00 54.79 54.47 1cfc n ASP 80 Cb 0.56 -0.78 0.16 0.00 -1.14 0.00 0.00 41.12 39.92 1cfc n ASP 80 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 1cfc h SER 81 N -1.53 0.00 -0.52 -1.12 0.87 -1.90 -3.23 113.55 106.12 1cfc h SER 81 Ca -0.46 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1cfc h SER 81 Cb 1.37 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.30 1cfc h SER 81 CO 0.30 0.00 0.33 -0.33 -0.53 0.00 0.00 176.83 176.60 1cfc h GLU 82 N 0.00 0.69 0.00 2.24 5.08 -1.94 -0.68 114.58 119.97 1cfc h GLU 82 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1cfc h GLU 82 Cb 0.98 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1cfc h GLU 82 CO 0.00 0.48 0.00 0.93 -1.00 0.00 0.00 179.01 179.42 1cfc h GLU 83 N 0.70 0.00 0.21 2.33 5.08 -1.89 -1.15 114.58 119.85 1cfc h GLU 83 Ca 0.19 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.20 1cfc h GLU 83 Cb -0.05 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.22 1cfc h GLU 83 CO -0.04 0.00 -1.67 0.93 -1.00 0.00 0.00 179.01 177.23 1cfc h GLU 84 N 0.00 0.44 0.00 2.33 5.08 -1.31 -3.00 114.58 118.13 1cfc h GLU 84 Ca 0.00 -0.75 -0.15 0.00 -1.00 0.00 0.00 59.36 57.46 1cfc h GLU 84 Cb 0.39 0.28 0.01 0.00 0.50 0.00 0.00 28.75 29.93 1cfc h GLU 84 CO 0.00 1.36 -0.58 0.82 -1.00 0.00 0.00 179.01 179.61 1cfc h ILE 85 N 0.12 1.44 -0.65 3.13 2.04 -0.95 -2.48 117.51 120.17 1cfc h ILE 85 Ca -0.32 -2.09 -0.02 0.00 1.00 0.00 0.00 64.86 63.44 1cfc h ILE 85 Cb 2.12 2.64 -0.03 0.00 -0.74 0.00 0.00 36.82 40.81 1cfc h ILE 85 CO 0.21 0.60 0.35 -0.09 0.00 0.00 0.00 178.15 179.22 1cfc h ARG 86 N -0.15 0.92 0.00 2.37 2.43 -1.37 0.18 114.38 118.76 1cfc h ARG 86 Ca -0.07 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 58.98 1cfc h ARG 86 Cb 1.30 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1cfc h ARG 86 CO 0.11 0.70 -0.03 0.93 -1.51 0.00 0.00 179.97 180.18 1cfc h GLU 87 N 0.90 0.00 0.09 0.20 4.39 -1.58 -0.01 114.58 118.57 1cfc h GLU 87 Ca 0.23 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.81 1cfc h GLU 87 Cb 0.06 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1cfc h GLU 87 CO -0.03 0.03 -0.50 0.00 -1.16 0.00 0.00 179.01 177.34 1cfc h ALA 88 N 1.97 -0.05 0.00 3.43 0.00 -0.54 -2.24 119.26 121.83 1cfc h ALA 88 Ca -0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1cfc h ALA 88 Cb 0.38 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1cfc h ALA 88 CO 0.00 0.23 -0.01 0.74 0.00 0.00 0.00 179.25 180.21 1cfc h PHE 89 N -0.60 0.00 -0.19 0.00 0.04 -0.25 0.72 116.94 116.66 1cfc h PHE 89 Ca -0.09 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.56 1cfc h PHE 89 Cb 1.39 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.54 1cfc h PHE 89 CO 0.23 0.01 -0.36 -0.09 -0.60 0.00 0.00 178.31 177.51 1cfc h ARG 90 N 0.00 0.58 0.00 1.51 2.43 -0.88 -1.71 114.38 116.30 1cfc h ARG 90 Ca -0.00 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1cfc h ARG 90 Cb 0.04 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1cfc h ARG 90 CO 0.00 0.98 0.33 0.28 -1.51 0.00 0.00 179.97 180.05 1cfc h VAL 91 N 0.25 0.00 -0.00 0.20 2.07 -0.24 0.42 116.25 118.95 1cfc h VAL 91 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1cfc h VAL 91 Cb 0.95 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1cfc h VAL 91 CO 0.08 0.00 -0.97 0.49 0.02 0.00 0.00 177.57 177.19 1cfc n PHE 92 N -2.85 0.00 -2.20 1.57 3.01 -0.70 -4.52 117.46 111.77 1cfc n PHE 92 Ca -0.02 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.03 1cfc n PHE 92 Cb 0.38 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 1cfc n PHE 92 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1cfc n ASP 93 N -1.47 6.79 0.32 4.37 2.03 0.15 -4.74 116.55 124.01 1cfc n ASP 93 Ca 0.04 -3.16 0.18 0.00 0.52 0.00 0.00 54.79 52.36 1cfc n ASP 93 Cb 0.33 -1.40 0.94 0.00 -0.72 0.00 0.00 41.12 40.28 1cfc n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1cfc h LYS 94 N 5.07 0.00 -0.64 -0.67 1.57 -1.79 0.19 116.57 120.30 1cfc h LYS 94 Ca 0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 1cfc h LYS 94 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1cfc h LYS 94 CO 1.52 0.00 0.00 -3.47 -0.57 0.00 0.00 179.45 176.93 1cfc n ASP 95 N -2.90 3.76 -3.82 0.86 2.03 -1.26 -4.93 116.55 110.29 1cfc n ASP 95 Ca -0.02 -2.00 -0.30 0.00 0.52 0.00 0.00 54.79 52.99 1cfc n ASP 95 Cb 0.25 -0.42 -0.02 0.00 -0.72 0.00 0.00 41.12 40.21 1cfc n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cfc n GLY 96 N 1.61 -0.46 0.13 0.27 0.00 0.67 -4.82 105.19 102.60 1cfc n GLY 96 Ca 0.23 0.11 -0.24 0.00 0.00 0.00 0.00 46.02 46.11 1cfc n GLY 96 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1cfc n ASN 97 N -2.43 1.97 0.00 1.61 2.85 -1.26 -5.02 115.26 112.97 1cfc n ASN 97 Ca 0.04 0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 1cfc n ASN 97 Cb 0.51 -0.64 0.00 0.00 1.24 0.00 0.00 39.78 40.89 1cfc n ASN 97 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1cfc n GLY 98 N 1.72 1.02 3.06 8.20 0.00 -1.26 -5.11 105.19 112.82 1cfc n GLY 98 Ca -0.50 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 1cfc n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cfc s TYR 99 N -2.00 0.79 0.14 1.61 1.51 -1.26 -4.49 117.35 113.66 1cfc s TYR 99 Ca 0.00 -0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 55.69 1cfc s TYR 99 Cb 0.00 -0.48 -0.04 0.00 -0.11 0.00 0.00 41.96 41.33 1cfc s TYR 99 CO 0.00 -0.03 0.08 0.96 -1.11 0.00 0.00 175.55 175.45 1cfc s ILE 100 N -0.91 0.09 0.26 2.71 -4.36 -1.18 -4.90 121.20 112.90 1cfc s ILE 100 Ca -0.03 -1.90 -0.30 0.00 -0.26 0.00 0.00 60.65 58.16 1cfc s ILE 100 Cb -0.07 -2.10 -0.09 0.00 1.25 0.00 0.00 42.46 41.44 1cfc s ILE 100 CO 0.01 -0.39 0.99 -0.94 0.24 0.00 0.00 174.94 174.85 1cfc s SER 101 N -3.06 7.51 0.47 4.36 1.04 -1.26 -2.42 113.70 120.34 1cfc s SER 101 Ca 0.26 2.05 0.37 0.00 0.48 0.00 0.00 55.95 59.11 1cfc s SER 101 Cb 0.07 -2.61 1.55 0.00 0.10 0.00 0.00 66.02 65.13 1cfc s SER 101 CO 0.03 0.05 1.57 0.00 0.98 0.00 0.00 173.24 175.87 1cfc n ALA 102 N 1.36 1.49 0.29 5.32 0.00 -1.26 0.66 120.51 128.38 1cfc n ALA 102 Ca -0.02 0.83 -0.17 0.00 0.00 0.00 0.00 53.44 54.09 1cfc n ALA 102 Cb 0.46 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.74 1cfc n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cfc h ALA 103 N 1.47 -0.69 -0.47 0.00 0.00 -1.93 0.37 119.26 118.01 1cfc h ALA 103 Ca 0.90 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.72 1cfc h ALA 103 Cb 3.06 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 21.09 1cfc h ALA 103 CO -0.37 -0.89 0.32 0.93 0.00 0.00 0.00 179.25 179.24 1cfc h GLU 104 N -0.69 0.37 -0.06 0.00 5.08 -0.14 0.23 114.58 119.38 1cfc h GLU 104 Ca -0.07 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1cfc h GLU 104 Cb 0.53 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1cfc h GLU 104 CO 0.12 0.25 0.00 1.25 -1.00 0.00 0.00 179.01 179.62 1cfc h LEU 105 N 0.39 0.10 -1.44 1.33 5.85 0.03 0.42 115.31 121.98 1cfc h LEU 105 Ca 0.21 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 1cfc h LEU 105 Cb 0.33 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1cfc h LEU 105 CO -0.05 0.38 -0.07 0.03 -0.34 0.00 0.00 178.44 178.39 1cfc h ARG 106 N -0.19 0.28 -0.28 1.25 3.08 0.69 -1.96 114.38 117.26 1cfc h ARG 106 Ca 0.02 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 59.83 1cfc h ARG 106 Cb 0.33 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1cfc h ARG 106 CO 0.00 0.37 -0.53 1.25 -1.07 0.00 0.00 179.97 179.99 1cfc h HIS 107 N 0.28 1.03 -0.97 3.04 2.76 -0.11 -2.30 115.15 118.87 1cfc h HIS 107 Ca 0.06 -0.36 0.01 0.00 -2.20 0.00 0.00 60.37 57.88 1cfc h HIS 107 Cb 0.30 -0.20 -0.05 0.00 1.55 0.00 0.00 27.41 29.02 1cfc h HIS 107 CO 0.01 1.18 0.64 0.28 -1.30 0.00 0.00 177.93 178.73 1cfc h VAL 108 N 0.64 1.25 -0.03 5.26 2.07 0.55 0.17 116.25 126.16 1cfc h VAL 108 Ca 0.02 -0.46 -0.13 0.00 0.82 0.00 0.00 66.70 66.94 1cfc h VAL 108 Cb 1.13 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1cfc h VAL 108 CO 0.12 0.24 -0.59 0.24 0.02 0.00 0.00 177.57 177.60 1cfc h MET 109 N 1.32 0.11 0.14 1.57 2.07 -1.24 -3.06 114.93 115.83 1cfc h MET 109 Ca 0.35 -0.07 -0.29 0.00 -2.07 0.00 0.00 59.70 57.62 1cfc h MET 109 Cb -0.15 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 29.60 1cfc h MET 109 CO -0.08 0.67 -1.44 1.15 1.07 0.00 0.00 176.91 178.28 1cfc h THR 110 N 0.08 1.05 -0.39 2.22 2.02 -0.82 -3.35 112.91 113.72 1cfc h THR 110 Ca -0.01 -2.44 0.04 0.00 0.77 0.00 0.00 66.41 64.78 1cfc h THR 110 Cb 1.06 2.77 -0.02 0.00 -1.74 0.00 0.00 68.15 70.22 1cfc h THR 110 CO 0.08 0.74 0.26 -1.13 0.37 0.00 0.00 175.52 175.85 1cfc h ASN 111 N -0.21 0.31 -0.01 4.18 -0.73 -0.76 -0.04 115.58 118.32 1cfc h ASN 111 Ca -0.30 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.87 1cfc h ASN 111 Cb 1.83 -0.07 -0.00 0.00 0.27 0.00 0.00 38.32 40.35 1cfc h ASN 111 CO 0.10 0.21 0.01 -0.07 -0.37 0.00 0.00 177.43 177.31 1cfc h LEU 112 N 0.36 0.00 -0.32 0.34 3.38 -1.66 -3.45 115.31 113.97 1cfc h LEU 112 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1cfc h LEU 112 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1cfc h LEU 112 CO -0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.10 1cfc n GLY 113 N -1.33 0.73 3.77 0.83 0.00 -0.03 -5.04 105.19 104.13 1cfc n GLY 113 Ca -0.03 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 1cfc n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cfc s GLU 114 N -3.86 4.61 -0.02 1.61 2.02 -1.26 -4.91 118.70 116.90 1cfc s GLU 114 Ca 0.00 1.39 -0.00 0.00 0.02 0.00 0.00 54.97 56.37 1cfc s GLU 114 Cb 0.00 -2.88 0.02 0.00 0.10 0.00 0.00 34.13 31.36 1cfc s GLU 114 CO 0.00 0.29 1.82 1.63 0.02 0.00 0.00 175.26 179.03 1cfc n LYS 115 N 0.71 1.05 -3.09 1.61 5.02 -1.26 -4.85 118.16 117.34 1cfc n LYS 115 Ca 0.01 -0.10 -0.39 0.00 -2.02 0.00 0.00 58.31 55.81 1cfc n LYS 115 Cb 0.49 -1.04 -0.05 0.00 -0.02 0.00 0.00 35.03 34.41 1cfc n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cfc s LEU 116 N -0.12 4.39 0.36 -0.35 1.43 -1.26 -5.04 118.68 118.09 1cfc s LEU 116 Ca 0.02 1.24 -0.24 0.00 -1.03 0.00 0.00 54.13 54.12 1cfc s LEU 116 Cb 0.02 -3.05 -0.10 0.00 0.03 0.00 0.00 46.19 43.08 1cfc s LEU 116 CO 0.00 0.01 0.95 0.42 0.23 0.00 0.00 176.35 177.96 1cfc s THR 117 N 0.16 4.26 0.50 5.49 -4.23 -1.26 -4.91 115.64 115.66 1cfc s THR 117 Ca 0.35 1.71 0.28 0.00 -1.18 0.00 0.00 61.69 62.84 1cfc s THR 117 Cb -0.19 -3.87 0.46 0.00 1.34 0.00 0.00 72.50 70.25 1cfc s THR 117 CO 0.19 -0.02 1.87 0.44 -0.54 0.00 0.00 174.62 176.56 1cfc h ASP 118 N 2.73 0.13 -0.13 3.99 3.32 -1.99 0.50 116.42 124.97 1cfc h ASP 118 Ca -0.48 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 1cfc h ASP 118 Cb 1.19 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1cfc h ASP 118 CO 0.64 0.04 0.04 -0.33 -1.72 0.00 0.00 179.24 177.91 1cfc h GLU 119 N 0.12 0.20 -0.78 3.56 3.07 -1.99 -0.63 114.58 118.13 1cfc h GLU 119 Ca 0.46 -0.04 0.15 0.00 -0.50 0.00 0.00 59.36 59.42 1cfc h GLU 119 Cb 1.60 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 29.43 1cfc h GLU 119 CO -0.07 0.33 0.52 0.93 -1.40 0.00 0.00 179.01 179.32 1cfc h GLU 120 N 0.03 0.45 -0.12 2.33 5.08 -1.27 0.50 114.58 121.58 1cfc h GLU 120 Ca 0.04 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.15 1cfc h GLU 120 Cb 0.21 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.37 1cfc h GLU 120 CO -0.00 0.30 -0.80 0.28 -1.00 0.00 0.00 179.01 177.78 1cfc h VAL 121 N 0.46 1.30 -0.72 3.13 2.07 -1.19 -2.68 116.25 118.62 1cfc h VAL 121 Ca 0.39 -2.05 0.05 0.00 0.82 0.00 0.00 66.70 65.91 1cfc h VAL 121 Cb 0.84 2.06 -0.04 0.00 -1.52 0.00 0.00 31.29 32.62 1cfc h VAL 121 CO -0.14 0.64 0.48 0.44 0.02 0.00 0.00 177.57 179.01 1cfc h ASP 122 N 0.47 0.70 -0.15 0.57 5.19 0.64 0.56 116.42 124.40 1cfc h ASP 122 Ca -0.06 -0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.16 1cfc h ASP 122 Cb 1.43 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.79 1cfc h ASP 122 CO 0.16 0.46 -0.62 -0.33 -3.12 0.00 0.00 179.24 175.79 1cfc h GLU 123 N 0.80 0.76 0.00 3.56 5.08 -1.28 -2.49 114.58 121.01 1cfc h GLU 123 Ca 0.30 -0.53 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1cfc h GLU 123 Cb 0.18 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1cfc h GLU 123 CO -0.10 1.15 -0.15 0.52 -1.00 0.00 0.00 179.01 179.43 1cfc h MET 124 N 0.56 0.00 0.00 2.33 2.86 -0.83 -1.80 114.93 118.05 1cfc h MET 124 Ca -0.01 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.46 1cfc h MET 124 Cb 1.22 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 1cfc h MET 124 CO 0.13 0.15 -0.82 0.82 1.06 0.00 0.00 176.91 178.25 1cfc h ILE 125 N 0.00 1.52 0.22 -1.22 2.04 -0.62 -2.85 117.51 116.60 1cfc h ILE 125 Ca -0.00 -2.88 -0.00 0.00 1.00 0.00 0.00 64.86 62.98 1cfc h ILE 125 Cb 0.35 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 1cfc h ILE 125 CO 0.02 0.80 -0.14 0.03 0.00 0.00 0.00 178.15 178.86 1cfc h ARG 126 N 0.00 -0.34 0.00 2.37 2.47 -0.88 -2.76 114.38 115.23 1cfc h ARG 126 Ca -0.01 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1cfc h ARG 126 Cb 1.51 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.91 1cfc h ARG 126 CO 0.11 -0.23 0.00 0.93 0.56 0.00 0.00 179.97 181.34 1cfc h GLU 127 N -0.36 0.00 -4.09 0.04 4.39 -1.66 -3.36 114.58 109.55 1cfc h GLU 127 Ca -0.02 0.00 -0.75 0.00 0.34 0.00 0.00 59.36 58.93 1cfc h GLU 127 Cb 0.31 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 28.78 1cfc h GLU 127 CO 0.01 0.00 1.55 0.00 -1.16 0.00 0.00 179.01 179.41 1cfc n ALA 128 N -2.06 4.56 -1.06 3.43 0.00 -1.04 -4.90 120.51 119.43 1cfc n ALA 128 Ca 0.04 -4.33 -0.05 0.00 0.00 0.00 0.00 53.44 49.11 1cfc n ALA 128 Cb 0.50 -2.95 -0.05 0.00 0.00 0.00 0.00 19.45 16.95 1cfc n ALA 128 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1cfc n ASP 129 N 4.53 -1.80 0.00 0.00 8.00 -1.26 -4.57 116.55 121.45 1cfc n ASP 129 Ca 0.37 -1.17 0.13 0.00 0.71 0.00 0.00 54.79 54.82 1cfc n ASP 129 Cb 0.39 -0.56 0.74 0.00 -0.02 0.00 0.00 41.12 41.68 1cfc n ASP 129 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1cfc n ILE 130 N 4.51 0.00 -2.16 0.53 5.41 -1.26 -4.74 119.36 121.65 1cfc n ILE 130 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.89 1cfc n ILE 130 Cb 0.40 -0.40 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1cfc n ILE 130 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1cfc n ASP 131 N -0.90 0.65 0.00 4.38 2.03 -1.26 -4.23 116.55 117.22 1cfc n ASP 131 Ca 0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1cfc n ASP 131 Cb 0.09 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 1cfc n ASP 131 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cfc n GLY 132 N 5.00 1.33 0.00 0.27 0.00 -1.26 -4.29 105.19 106.24 1cfc n GLY 132 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cfc n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cfc n ASP 133 N 0.52 0.00 0.00 1.61 8.00 -1.26 -5.09 116.55 120.33 1cfc n ASP 133 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1cfc n ASP 133 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1cfc n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cfc n GLY 134 N 2.11 0.71 3.37 0.44 0.00 -1.26 -5.13 105.19 105.43 1cfc n GLY 134 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1cfc n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1cfc s GLN 135 N 0.00 1.37 0.02 1.61 -2.07 -1.26 -4.08 119.66 115.24 1cfc s GLN 135 Ca 0.00 -1.40 -0.03 0.00 -1.82 0.00 0.00 55.36 52.11 1cfc s GLN 135 Cb 0.00 -1.66 -0.01 0.00 -1.09 0.00 0.00 33.01 30.25 1cfc s GLN 135 CO 0.00 0.37 0.05 0.08 -1.32 0.00 0.00 175.29 174.47 1cfc s VAL 136 N -1.54 0.11 0.88 3.63 1.01 -1.01 -4.96 120.40 118.51 1cfc s VAL 136 Ca 0.16 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 1cfc s VAL 136 Cb -0.08 -0.44 0.17 0.00 0.00 0.00 0.00 36.38 36.03 1cfc s VAL 136 CO 0.07 -0.48 1.21 0.21 0.00 0.00 0.00 175.10 176.12 1cfc s ASN 137 N -1.56 3.54 -0.09 3.32 2.47 -1.26 -3.08 114.94 118.29 1cfc s ASN 137 Ca -0.14 0.08 0.12 0.00 0.42 0.00 0.00 52.86 53.34 1cfc s ASN 137 Cb -0.08 -0.24 -0.17 0.00 -1.45 0.00 0.00 41.25 39.31 1cfc s ASN 137 CO -0.01 -2.43 0.13 0.00 -3.72 0.00 0.00 177.10 171.07 1cfc n TYR 138 N -3.46 0.00 -0.34 0.43 4.11 -1.26 -4.56 117.16 112.07 1cfc n TYR 138 Ca 0.15 0.00 0.15 0.00 -0.00 0.00 0.00 57.90 58.20 1cfc n TYR 138 Cb 0.60 -0.52 0.29 0.00 -0.00 0.00 0.00 39.34 39.71 1cfc n TYR 138 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01 1cfc n GLU 139 N -2.30 -0.08 -0.13 -3.48 0.28 -1.26 0.14 120.64 113.81 1cfc n GLU 139 Ca -0.15 1.48 -0.12 0.00 -0.16 0.00 0.00 57.16 58.22 1cfc n GLU 139 Cb 0.73 -2.36 -0.02 0.00 1.43 0.00 0.00 31.44 31.22 1cfc n GLU 139 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1cfc h GLU 140 N 0.00 0.81 0.00 3.44 4.39 -2.01 -2.78 114.58 118.42 1cfc h GLU 140 Ca 0.60 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1cfc h GLU 140 Cb 1.25 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1cfc h GLU 140 CO -0.93 0.98 0.00 0.74 -1.16 0.00 0.00 179.01 178.64 1cfc h PHE 141 N 0.61 0.00 0.05 4.33 0.04 0.57 -2.92 116.94 119.62 1cfc h PHE 141 Ca 0.09 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 1cfc h PHE 141 Cb 0.74 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.89 1cfc h PHE 141 CO 0.06 0.00 -0.03 0.28 -0.60 0.00 0.00 178.31 178.02 1cfc h VAL 142 N 0.00 1.30 0.00 -0.55 2.07 0.14 -2.75 116.25 116.46 1cfc h VAL 142 Ca 0.00 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 1cfc h VAL 142 Cb 0.65 2.17 -0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1cfc h VAL 142 CO 0.00 0.33 -0.09 1.56 0.02 0.00 0.00 177.57 179.39 1cfc h GLN 143 N -0.71 0.00 -0.07 1.57 4.20 -1.55 -2.82 115.11 115.72 1cfc h GLN 143 Ca -0.01 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.46 1cfc h GLN 143 Cb 0.60 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.40 1cfc h GLN 143 CO 0.01 0.09 -0.92 0.52 -0.67 0.00 0.00 178.83 177.86 1cfc h MET 144 N 0.00 0.74 0.00 1.46 2.86 -1.48 -2.24 114.93 116.28 1cfc h MET 144 Ca -0.00 -0.71 -0.01 0.00 -2.06 0.00 0.00 59.70 56.92 1cfc h MET 144 Cb 0.41 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 1cfc h MET 144 CO 0.01 1.29 -0.05 0.52 1.06 0.00 0.00 176.91 179.75 1cfc h MET 145 N 0.46 0.00 0.00 1.72 2.86 -1.22 -3.29 114.93 115.46 1cfc h MET 145 Ca -0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1cfc h MET 145 Cb 1.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.22 1cfc h MET 145 CO 0.18 0.05 0.00 0.25 1.06 0.00 0.00 176.91 178.45 1cfc n THR 146 N -3.47 0.00 0.00 2.22 -2.24 -1.14 -5.04 114.28 104.61 1cfc n THR 146 Ca -0.02 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1cfc n THR 146 Cb 0.17 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 1cfc n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cfc n ALA 147 N -1.22 0.00 0.00 6.98 0.00 -0.86 -5.04 120.51 120.37 1cfc n ALA 147 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cfc n ALA 147 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1cfc n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13