#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 0.78 -4.80 0.00 -0.08 -1.26 -4.81 116.55 106.38 1cfc n ASP 2 Ca 0.00 -1.81 -0.36 0.00 -1.51 0.00 0.00 54.79 51.11 1cfc n ASP 2 Cb 0.00 -0.39 -0.06 0.00 2.34 0.00 0.00 41.12 43.01 1cfc n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cfc s GLN 3 N -1.13 4.37 -0.07 -0.67 -2.07 -1.26 -5.00 119.66 113.84 1cfc s GLN 3 Ca 0.00 1.05 -0.30 0.00 -1.82 0.00 0.00 55.36 54.29 1cfc s GLN 3 Cb 0.00 -2.82 -0.04 0.00 -1.09 0.00 0.00 33.01 29.06 1cfc s GLN 3 CO 0.00 0.33 1.42 -0.51 -1.32 0.00 0.00 175.29 175.21 1cfc s LEU 4 N -2.06 4.28 0.77 2.60 1.43 -1.26 -4.99 118.68 119.45 1cfc s LEU 4 Ca 0.47 2.01 -0.11 0.00 -1.03 0.00 0.00 54.13 55.47 1cfc s LEU 4 Cb -0.17 -3.55 0.06 0.00 0.03 0.00 0.00 46.19 42.56 1cfc s LEU 4 CO 0.22 -0.78 1.09 0.42 0.23 0.00 0.00 176.35 177.52 1cfc s THR 5 N 3.18 3.35 0.62 5.49 -4.23 -1.26 -4.74 115.64 118.05 1cfc s THR 5 Ca 0.63 0.44 0.32 0.00 -1.18 0.00 0.00 61.69 61.90 1cfc s THR 5 Cb -0.29 -2.94 0.36 0.00 1.34 0.00 0.00 72.50 70.97 1cfc s THR 5 CO 0.23 -0.57 2.09 -0.33 -0.54 0.00 0.00 174.62 175.50 1cfc h GLU 6 N -1.12 0.00 0.00 3.99 5.08 -1.99 -1.05 114.58 119.49 1cfc h GLU 6 Ca -0.44 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1cfc h GLU 6 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1cfc h GLU 6 CO 0.52 0.00 -0.02 0.93 -1.00 0.00 0.00 179.01 179.44 1cfc h GLU 7 N 0.00 0.01 -0.69 2.33 5.08 -1.99 -2.50 114.58 116.81 1cfc h GLU 7 Ca 0.06 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1cfc h GLU 7 Cb 0.51 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1cfc h GLU 7 CO -0.00 0.92 0.46 1.96 -1.00 0.00 0.00 179.01 181.35 1cfc h GLN 8 N -0.89 0.90 -0.18 2.33 4.20 -1.65 -0.06 115.11 119.75 1cfc h GLN 8 Ca -0.00 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 1cfc h GLN 8 Cb 0.92 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 1cfc h GLN 8 CO 0.00 0.59 -0.30 0.82 -0.67 0.00 0.00 178.83 179.27 1cfc h ILE 9 N 0.92 1.27 -0.05 2.54 2.04 -1.30 -2.96 117.51 119.97 1cfc h ILE 9 Ca 0.26 -1.32 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 1cfc h ILE 9 Cb -0.08 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1cfc h ILE 9 CO -0.06 0.41 -0.11 0.00 0.00 0.00 0.00 178.15 178.39 1cfc h ALA 10 N 1.37 0.09 -0.62 1.87 0.00 -0.63 -2.17 119.26 119.16 1cfc h ALA 10 Ca 0.04 -0.33 0.13 0.00 0.00 0.00 0.00 54.91 54.75 1cfc h ALA 10 Cb 0.70 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.37 1cfc h ALA 10 CO 0.05 -0.04 0.02 1.49 0.00 0.00 0.00 179.25 180.77 1cfc h GLU 11 N -0.33 0.13 -0.31 0.00 4.81 -1.00 0.31 114.58 118.18 1cfc h GLU 11 Ca 0.00 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1cfc h GLU 11 Cb 0.69 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 1cfc h GLU 11 CO 0.02 0.09 -0.18 0.74 -0.73 0.00 0.00 179.01 178.95 1cfc h PHE 12 N 0.13 0.61 -0.52 0.92 0.04 -1.54 -2.20 116.94 114.40 1cfc h PHE 12 Ca 0.33 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.96 1cfc h PHE 12 Cb 0.53 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 1cfc h PHE 12 CO -0.35 0.70 0.24 -0.22 -0.60 0.00 0.00 178.31 178.07 1cfc h LYS 13 N 0.50 0.75 -0.39 1.51 3.64 0.20 0.50 116.57 123.29 1cfc h LYS 13 Ca 0.08 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1cfc h LYS 13 Cb 0.59 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1cfc h LYS 13 CO 0.04 0.64 0.05 0.93 -2.27 0.00 0.00 179.45 178.84 1cfc h GLU 14 N 0.69 0.65 0.00 1.90 5.08 -0.82 -0.10 114.58 121.98 1cfc h GLU 14 Ca 0.18 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1cfc h GLU 14 Cb 0.14 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1cfc h GLU 14 CO -0.02 0.71 -0.23 0.00 -1.00 0.00 0.00 179.01 178.47 1cfc h ALA 15 N 0.91 1.17 0.03 3.43 0.00 -1.11 -1.82 119.26 121.87 1cfc h ALA 15 Ca 0.12 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1cfc h ALA 15 Cb 0.38 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1cfc h ALA 15 CO 0.01 0.28 -0.29 0.35 0.00 0.00 0.00 179.25 179.60 1cfc h PHE 16 N 0.00 0.24 0.00 0.00 3.57 0.57 -3.26 116.94 118.06 1cfc h PHE 16 Ca -0.00 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.32 1cfc h PHE 16 Cb 0.59 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 1cfc h PHE 16 CO 0.00 1.03 -0.11 0.77 -2.23 0.00 0.00 178.31 177.77 1cfc h SER 17 N -0.62 0.00 0.00 0.41 0.02 -0.96 -2.56 113.55 109.84 1cfc h SER 17 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1cfc h SER 17 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1cfc h SER 17 CO 0.06 0.11 0.09 -0.07 -1.14 0.00 0.00 176.83 175.88 1cfc h LEU 18 N 0.00 0.00 -2.85 5.07 3.38 -1.37 -1.07 115.31 118.47 1cfc h LEU 18 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1cfc h LEU 18 Cb 0.51 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1cfc h LEU 18 CO 0.01 0.00 -0.34 0.49 0.09 0.00 0.00 178.44 178.69 1cfc n PHE 19 N -2.80 0.00 -3.00 1.13 3.01 -0.97 -4.87 117.46 109.96 1cfc n PHE 19 Ca -0.02 -0.96 -0.43 0.00 1.01 0.00 0.00 57.45 57.05 1cfc n PHE 19 Cb 0.15 -0.17 0.01 0.00 -0.01 0.00 0.00 39.48 39.46 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 -0.92 6.40 0.00 4.37 2.03 -0.41 -4.71 116.55 123.32 1cfc n ASP 20 Ca 0.14 -3.43 0.10 0.00 0.52 0.00 0.00 54.79 52.11 1cfc n ASP 20 Cb 0.72 -1.25 0.54 0.00 -0.72 0.00 0.00 41.12 40.41 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 0.48 -0.06 -0.67 4.76 -1.26 -2.23 118.16 120.44 1cfc n LYS 21 Ca 0.27 0.04 0.12 0.00 -2.87 0.00 0.00 58.31 55.87 1cfc n LYS 21 Cb 0.33 -1.50 0.14 0.00 -1.84 0.00 0.00 35.03 32.16 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 -1.11 3.12 -1.32 4.39 8.00 -1.26 -4.92 116.55 123.46 1cfc n ASP 22 Ca 0.12 -1.99 -0.08 0.00 0.71 0.00 0.00 54.79 53.55 1cfc n ASP 22 Cb 0.10 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 1cfc n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cfc n GLY 23 N 1.40 0.70 1.13 0.44 0.00 -0.95 -4.69 105.19 103.22 1cfc n GLY 23 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.05 3.39 -0.91 1.61 2.03 -1.26 -4.93 116.55 116.43 1cfc n ASP 24 Ca -0.08 -2.00 -0.09 0.00 0.52 0.00 0.00 54.79 53.14 1cfc n ASP 24 Cb 0.29 -0.20 -0.01 0.00 -0.72 0.00 0.00 41.12 40.47 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 1.49 0.30 3.18 0.27 0.00 -1.26 -5.01 105.19 104.15 1cfc n GLY 25 Ca 0.19 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.41 0.10 0.11 2.61 -4.23 -1.26 -3.37 115.64 107.19 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 71.57 1cfc s THR 26 CO 0.00 -0.28 0.04 0.27 -0.54 0.00 0.00 174.62 174.11 1cfc s ILE 27 N -4.06 0.13 0.57 2.99 -4.36 -0.46 -4.45 121.20 111.56 1cfc s ILE 27 Ca 0.30 -1.87 -0.03 0.00 -0.26 0.00 0.00 60.65 58.79 1cfc s ILE 27 Cb 0.07 -1.89 0.02 0.00 1.25 0.00 0.00 42.46 41.91 1cfc s ILE 27 CO 0.06 -0.61 0.84 0.42 0.24 0.00 0.00 174.94 175.89 1cfc s THR 28 N -4.01 3.17 0.30 8.37 -4.23 -1.26 -1.03 115.64 116.95 1cfc s THR 28 Ca 0.19 -0.34 0.15 0.00 -1.18 0.00 0.00 61.69 60.51 1cfc s THR 28 Cb 0.08 -3.24 0.09 0.00 1.34 0.00 0.00 72.50 70.76 1cfc s THR 28 CO -0.02 -0.21 1.76 0.71 -0.54 0.00 0.00 174.62 176.33 1cfc h THR 29 N -0.07 1.16 0.00 3.99 1.35 -1.86 -2.58 112.91 114.89 1cfc h THR 29 Ca -0.44 -1.51 -0.02 0.00 -0.55 0.00 0.00 66.41 63.89 1cfc h THR 29 Cb 1.28 1.84 -0.00 0.00 -1.73 0.00 0.00 68.15 69.54 1cfc h THR 29 CO 0.58 0.41 -0.09 0.11 -0.25 0.00 0.00 175.52 176.28 1cfc h LYS 30 N 0.00 0.00 -0.03 4.72 1.79 -1.93 -1.69 116.57 119.43 1cfc h LYS 30 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1cfc h LYS 30 Cb 0.81 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 1cfc h LYS 30 CO 0.05 0.09 -0.13 0.39 -1.08 0.00 0.00 179.45 178.78 1cfc n GLU 31 N -3.96 2.01 0.02 3.15 1.02 -0.99 -4.46 120.64 117.43 1cfc n GLU 31 Ca -0.02 -1.66 -0.11 0.00 -0.02 0.00 0.00 57.16 55.35 1cfc n GLU 31 Cb 0.18 -1.47 -0.05 0.00 -0.02 0.00 0.00 31.44 30.08 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 4.04 -0.10 -2.04 -4.62 5.85 -1.12 -1.26 115.31 116.07 1cfc h LEU 32 Ca 0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1cfc h LEU 32 Cb 0.92 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 1cfc h LEU 32 CO 0.00 -0.04 -0.07 1.23 -0.34 0.00 0.00 178.44 179.22 1cfc h GLY 33 N -0.02 0.00 0.95 3.75 0.00 -1.78 -2.24 103.07 103.73 1cfc h GLY 33 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.20 1cfc h GLY 33 CO -0.08 0.00 -0.56 -0.84 0.00 0.00 0.00 176.54 175.06 1cfc h THR 34 N 0.00 1.34 0.39 4.70 2.02 -1.53 -2.02 112.91 117.81 1cfc h THR 34 Ca -0.00 -1.85 -0.02 0.00 0.77 0.00 0.00 66.41 65.31 1cfc h THR 34 Cb 0.14 2.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1cfc h THR 34 CO 0.01 0.56 -0.19 0.58 0.37 0.00 0.00 175.52 176.86 1cfc h VAL 35 N 0.23 0.62 -0.95 3.16 2.07 -0.78 -0.91 116.25 119.70 1cfc h VAL 35 Ca -0.04 -0.15 0.15 0.00 0.82 0.00 0.00 66.70 67.49 1cfc h VAL 35 Cb 1.20 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 31.59 1cfc h VAL 35 CO 0.12 0.03 0.60 0.24 0.02 0.00 0.00 177.57 178.58 1cfc h MET 36 N -0.61 0.73 0.00 1.57 2.86 -1.48 0.27 114.93 118.27 1cfc h MET 36 Ca -0.05 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 1cfc h MET 36 Cb 0.45 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1cfc h MET 36 CO 0.09 0.48 -0.35 0.00 1.06 0.00 0.00 176.91 178.19 1cfc h ARG 37 N 0.75 0.00 0.00 1.72 3.08 -0.78 -1.79 114.38 117.37 1cfc h ARG 37 Ca 0.49 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.51 1cfc h ARG 37 Cb 0.75 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 1cfc h ARG 37 CO -0.25 0.35 -0.15 0.66 -1.07 0.00 0.00 179.97 179.50 1cfc h SER 38 N 0.00 0.00 -0.04 7.04 4.64 0.92 -1.01 113.55 125.10 1cfc h SER 38 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1cfc h SER 38 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1cfc h SER 38 CO 0.05 0.15 0.00 0.18 -0.87 0.00 0.00 176.83 176.34 1cfc n LEU 39 N -3.59 1.25 0.00 5.97 4.77 -0.72 -4.89 117.00 119.79 1cfc n LEU 39 Ca -0.01 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1cfc n LEU 39 Cb 0.29 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1cfc n LEU 39 CO 0.31 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1cfc n GLY 40 N 1.13 0.74 3.90 -0.72 0.00 -0.38 -5.07 105.19 104.79 1cfc n GLY 40 Ca 0.19 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.75 3.45 -0.46 1.61 -1.52 -0.90 -5.00 119.66 116.07 1cfc s GLN 41 Ca 0.00 -0.31 0.06 0.00 -1.95 0.00 0.00 55.36 53.17 1cfc s GLN 41 Cb 0.00 -3.10 0.22 0.00 -0.22 0.00 0.00 33.01 29.92 1cfc s GLN 41 CO 0.00 0.67 0.51 -1.71 -0.25 0.00 0.00 175.29 174.51 1cfc n ASN 42 N 0.95 0.85 -4.79 5.90 5.15 -1.26 -3.66 115.26 118.40 1cfc n ASN 42 Ca -0.11 -2.78 -0.36 0.00 -0.60 0.00 0.00 54.58 50.74 1cfc n ASN 42 Cb 0.53 -0.63 -0.03 0.00 -0.53 0.00 0.00 39.78 39.11 1cfc n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1cfc s PRO 43 N -1.11 3.98 0.93 1.20 0.04 -1.26 -5.02 135.00 133.75 1cfc s PRO 43 Ca 0.34 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.74 1cfc s PRO 43 Cb 0.12 -2.35 0.15 0.00 0.04 0.00 0.00 34.50 32.46 1cfc s PRO 43 CO -0.12 -0.30 1.09 0.95 0.04 0.00 0.00 177.00 178.66 1cfc s THR 44 N -1.78 2.47 0.19 1.26 -4.23 -1.26 -4.82 115.64 107.48 1cfc s THR 44 Ca 0.62 0.15 -0.12 0.00 -1.18 0.00 0.00 61.69 61.17 1cfc s THR 44 Cb -0.20 -2.65 0.11 0.00 1.34 0.00 0.00 72.50 71.10 1cfc s THR 44 CO 0.25 -0.20 1.84 -0.33 -0.54 0.00 0.00 174.62 175.64 1cfc h GLU 45 N -1.65 0.87 -0.66 3.99 4.39 -1.99 -2.09 114.58 117.43 1cfc h GLU 45 Ca -0.51 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.07 1cfc h GLU 45 Cb 1.30 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.73 1cfc h GLU 45 CO 0.56 0.61 0.23 0.00 -1.16 0.00 0.00 179.01 179.25 1cfc h ALA 46 N 1.21 1.16 -0.93 3.43 0.00 -1.98 0.12 119.26 122.27 1cfc h ALA 46 Ca 0.23 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1cfc h ALA 46 Cb -0.05 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.42 1cfc h ALA 46 CO -0.05 0.59 0.61 0.93 0.00 0.00 0.00 179.25 181.33 1cfc h GLU 47 N 0.97 1.15 -0.01 0.00 5.08 -1.75 0.23 114.58 120.25 1cfc h GLU 47 Ca 0.22 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1cfc h GLU 47 Cb 0.24 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1cfc h GLU 47 CO -0.01 0.76 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.68 1cfc h LEU 48 N 1.19 0.03 -2.80 1.33 3.38 -0.67 -2.43 115.31 115.34 1cfc h LEU 48 Ca 0.37 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1cfc h LEU 48 Cb -0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1cfc h LEU 48 CO -0.11 0.50 0.04 1.56 0.09 0.00 0.00 178.44 180.52 1cfc h GLN 49 N -0.44 0.00 0.01 1.13 4.20 -0.38 0.38 115.11 120.01 1cfc h GLN 49 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1cfc h GLN 49 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1cfc h GLN 49 CO 0.00 0.00 -0.00 -0.44 -0.67 0.00 0.00 178.83 177.72 1cfc h ASP 50 N 0.00 -0.01 0.05 1.46 5.19 -0.70 -2.95 116.42 119.47 1cfc h ASP 50 Ca 0.00 -0.35 -0.01 0.00 -0.62 0.00 0.00 57.03 56.06 1cfc h ASP 50 Cb 0.09 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.60 1cfc h ASP 50 CO -0.00 0.66 -0.04 0.24 -3.12 0.00 0.00 179.24 176.98 1cfc h MET 51 N -1.00 0.00 -0.72 3.56 2.86 -1.12 -0.89 114.93 117.62 1cfc h MET 51 Ca -0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1cfc h MET 51 Cb 0.35 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 1cfc h MET 51 CO 0.00 0.04 0.22 0.82 1.06 0.00 0.00 176.91 179.06 1cfc h ILE 52 N 0.00 1.26 -0.69 -1.22 2.04 -1.00 0.17 117.51 118.07 1cfc h ILE 52 Ca -0.00 -0.89 0.08 0.00 1.00 0.00 0.00 64.86 65.05 1cfc h ILE 52 Cb 0.08 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 1cfc h ILE 52 CO 0.01 0.35 0.46 -1.13 0.00 0.00 0.00 178.15 177.83 1cfc h ASN 53 N 1.06 0.56 0.00 1.72 -0.00 -0.97 0.95 115.58 118.90 1cfc h ASN 53 Ca 0.23 0.01 -0.02 0.00 -0.00 0.00 0.00 56.30 56.52 1cfc h ASN 53 Cb 0.30 -0.11 -0.00 0.00 -0.00 0.00 0.00 38.32 38.51 1cfc h ASN 53 CO -0.01 0.35 -0.09 -0.33 -0.00 0.00 0.00 177.43 177.36 1cfc h GLU 54 N 0.63 0.00 -0.13 6.67 5.08 -1.39 -3.34 114.58 122.11 1cfc h GLU 54 Ca 0.31 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 1cfc h GLU 54 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1cfc h GLU 54 CO -0.10 0.93 -0.15 0.28 -1.00 0.00 0.00 179.01 178.97 1cfc h VAL 55 N -1.00 1.18 0.00 3.13 2.07 -0.69 -2.51 116.25 118.44 1cfc h VAL 55 Ca -0.02 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 1cfc h VAL 55 Cb 0.96 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1cfc h VAL 55 CO -0.01 0.25 -0.08 -0.67 0.02 0.00 0.00 177.57 177.08 1cfc n ASP 56 N -4.26 5.26 0.23 0.57 2.03 0.33 -4.03 116.55 116.67 1cfc n ASP 56 Ca -0.01 -2.41 0.13 0.00 0.52 0.00 0.00 54.79 53.02 1cfc n ASP 56 Cb 0.28 -1.17 0.26 0.00 -0.72 0.00 0.00 41.12 39.76 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 1.44 1.00 0.00 -1.67 0.00 -1.62 -2.89 119.26 115.52 1cfc h ALA 57 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1cfc h ALA 57 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1cfc h ALA 57 CO 0.05 0.00 0.00 0.22 0.00 0.00 0.00 179.25 179.52 1cfc h ASP 58 N 0.00 0.00 -0.43 0.00 3.58 -1.87 -3.47 116.42 114.24 1cfc h ASP 58 Ca 0.00 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.28 1cfc h ASP 58 Cb 0.92 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.91 1cfc h ASP 58 CO 0.00 0.00 -0.15 0.61 -2.88 0.00 0.00 179.24 176.82 1cfc n GLY 59 N 1.13 0.96 0.88 -0.78 0.00 -1.09 -4.88 105.19 101.41 1cfc n GLY 59 Ca 0.04 -0.67 0.09 0.00 0.00 0.00 0.00 46.02 45.49 1cfc n GLY 59 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1cfc n ASN 60 N 0.67 2.98 -2.57 1.61 2.85 -1.26 -4.96 115.26 114.58 1cfc n ASN 60 Ca -0.08 -1.87 -0.17 0.00 -0.11 0.00 0.00 54.58 52.35 1cfc n ASN 60 Cb 0.28 -0.17 -0.00 0.00 1.24 0.00 0.00 39.78 41.13 1cfc n ASN 60 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1cfc n GLY 61 N 1.09 -0.50 3.19 8.20 0.00 -1.26 -4.94 105.19 110.96 1cfc n GLY 61 Ca 0.14 0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.81 0.03 -0.01 2.61 -4.23 -1.26 -2.90 115.64 107.07 1cfc s THR 62 Ca 0.06 -1.97 -0.00 0.00 -1.18 0.00 0.00 61.69 58.60 1cfc s THR 62 Cb -0.03 -2.36 0.01 0.00 1.34 0.00 0.00 72.50 71.46 1cfc s THR 62 CO 0.08 -0.14 0.02 -0.63 -0.54 0.00 0.00 174.62 173.41 1cfc s ILE 63 N -4.13 -0.02 0.34 2.99 1.01 -0.19 -4.85 121.20 116.35 1cfc s ILE 63 Ca 0.34 0.07 0.07 0.00 0.00 0.00 0.00 60.65 61.13 1cfc s ILE 63 Cb 0.07 -0.05 -0.01 0.00 0.01 0.00 0.00 42.46 42.48 1cfc s ILE 63 CO 0.09 0.03 0.43 1.51 0.00 0.00 0.00 174.94 177.00 1cfc s ASP 64 N 0.36 5.83 0.17 3.58 1.47 -1.26 -1.35 116.67 125.46 1cfc s ASP 64 Ca -0.03 -0.25 -0.13 0.00 1.18 0.00 0.00 52.55 53.31 1cfc s ASP 64 Cb -0.04 -1.17 0.07 0.00 -0.34 0.00 0.00 42.92 41.44 1cfc s ASP 64 CO -0.01 -0.42 1.80 0.15 0.68 0.00 0.00 175.17 177.37 1cfc h PHE 65 N 0.96 0.74 -0.22 2.11 3.57 -1.96 -0.65 116.94 121.50 1cfc h PHE 65 Ca -0.45 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.09 1cfc h PHE 65 Cb 1.26 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.70 1cfc h PHE 65 CO 0.45 0.52 -0.14 -1.35 -2.23 0.00 0.00 178.31 175.55 1cfc h PRO 66 N 0.75 -0.13 -0.12 6.41 0.11 -1.96 0.65 132.00 137.71 1cfc h PRO 66 Ca 0.20 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.26 1cfc h PRO 66 Cb -0.00 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 1cfc h PRO 66 CO -0.04 -0.08 -0.18 0.93 -0.21 0.00 0.00 178.00 178.42 1cfc h GLU 67 N -0.13 0.19 -0.44 1.05 5.08 -1.93 -1.71 114.58 116.69 1cfc h GLU 67 Ca 0.12 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1cfc h GLU 67 Cb 0.32 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1cfc h GLU 67 CO -0.30 0.38 0.10 0.35 -1.00 0.00 0.00 179.01 178.54 1cfc h PHE 68 N 0.18 0.67 0.00 4.33 3.57 0.65 -0.84 116.94 125.50 1cfc h PHE 68 Ca 0.03 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 1cfc h PHE 68 Cb 0.43 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1cfc h PHE 68 CO 0.01 0.58 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.31 1cfc h LEU 69 N 0.64 0.00 -0.05 0.59 3.38 -0.07 -2.44 115.31 117.36 1cfc h LEU 69 Ca 0.15 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.87 1cfc h LEU 69 Cb 0.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.01 1cfc h LEU 69 CO -0.00 0.29 -1.06 0.74 0.09 0.00 0.00 178.44 178.49 1cfc h THR 70 N 0.00 1.40 -0.06 0.22 2.02 -0.88 -2.20 112.91 113.41 1cfc h THR 70 Ca -0.00 -2.59 -0.17 0.00 0.77 0.00 0.00 66.41 64.42 1cfc h THR 70 Cb 0.73 2.59 -0.01 0.00 -1.74 0.00 0.00 68.15 69.72 1cfc h THR 70 CO 0.04 0.77 -0.71 0.00 0.37 0.00 0.00 175.52 175.99 1cfc h MET 71 N 0.21 0.30 -0.19 6.66 -0.00 -1.24 -2.59 114.93 118.07 1cfc h MET 71 Ca -0.11 -0.24 -0.18 0.00 -0.00 0.00 0.00 59.70 59.17 1cfc h MET 71 Cb 1.73 0.05 -0.00 0.00 -0.00 0.00 0.00 31.60 33.38 1cfc h MET 71 CO 0.19 0.89 -0.60 0.52 -0.00 0.00 0.00 176.91 177.90 1cfc h MET 72 N 0.20 0.62 -0.15 -0.10 2.07 -1.47 -2.79 114.93 113.31 1cfc h MET 72 Ca -0.02 -0.42 -0.08 0.00 -2.07 0.00 0.00 59.70 57.10 1cfc h MET 72 Cb 1.27 0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 31.05 1cfc h MET 72 CO 0.11 1.04 -0.28 0.00 1.07 0.00 0.00 176.91 178.85 1cfc h ALA 73 N 0.87 1.24 0.00 6.32 0.00 -1.34 -1.02 119.26 125.33 1cfc h ALA 73 Ca -0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 1cfc h ALA 73 Cb 1.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1cfc h ALA 73 CO 0.12 0.50 -0.37 0.00 0.00 0.00 0.00 179.25 179.50 1cfc h ARG 74 N 0.26 0.00 0.08 0.00 2.47 -1.29 -3.06 114.38 112.83 1cfc h ARG 74 Ca 0.04 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1cfc h ARG 74 Cb 0.63 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 1cfc h ARG 74 CO 0.05 0.37 -0.04 0.87 0.56 0.00 0.00 179.97 181.78 1cfc h LYS 75 N 0.00 -0.10 -3.95 0.04 1.79 -1.11 -3.45 116.57 109.79 1cfc h LYS 75 Ca -0.00 0.01 -0.36 0.00 -2.18 0.00 0.00 60.65 58.12 1cfc h LYS 75 Cb 0.73 0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 31.33 1cfc h LYS 75 CO 0.05 0.45 1.47 -1.33 -1.08 0.00 0.00 179.45 179.01 1cfc n MET 76 N -4.84 0.00 0.00 3.15 2.81 -0.46 -0.77 117.12 117.02 1cfc n MET 76 Ca -0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 1cfc n MET 76 Cb 0.30 -1.05 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 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 5.88 0.00 0.23 0.03 2.85 -1.26 -4.97 118.16 120.92 1cfc n LYS 77 Ca 0.53 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.67 1cfc n LYS 77 Cb 0.05 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.37 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 -0.80 -0.47 -5.58 3.58 -1.31 -2.52 116.42 109.32 1cfc h ASP 78 Ca 0.00 0.05 -0.31 0.00 0.42 0.00 0.00 57.03 57.19 1cfc h ASP 78 Cb 0.00 0.25 -0.13 0.00 1.72 0.00 0.00 39.33 41.17 1cfc h ASP 78 CO 0.00 -0.44 0.38 1.07 -2.88 0.00 0.00 179.24 177.37 1cfc n THR 79 N -4.25 2.76 -0.86 2.25 5.66 -1.26 -4.91 114.28 113.66 1cfc n THR 79 Ca -0.08 -1.64 -0.36 0.00 -3.05 0.00 0.00 64.05 58.92 1cfc n THR 79 Cb 0.30 -1.37 0.09 0.00 -1.55 0.00 0.00 70.33 67.80 1cfc n THR 79 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1cfc n ASP 80 N 0.46 -2.74 0.17 1.09 -0.08 -0.95 -4.82 116.55 109.69 1cfc n ASP 80 Ca 0.29 -0.06 0.12 0.00 -1.51 0.00 0.00 54.79 53.63 1cfc n ASP 80 Cb 0.57 -0.68 0.12 0.00 2.34 0.00 0.00 41.12 43.47 1cfc n ASP 80 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1cfc h SER 81 N -1.45 0.00 0.28 1.67 0.87 -1.93 -3.23 113.55 109.76 1cfc h SER 81 Ca -0.45 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.09 1cfc h SER 81 Cb 1.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 1cfc h SER 81 CO 0.28 0.00 -0.13 -0.33 -0.53 0.00 0.00 176.83 176.12 1cfc h GLU 82 N 0.00 -0.36 0.00 2.24 5.08 -1.97 -1.09 114.58 118.48 1cfc h GLU 82 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1cfc h GLU 82 Cb 0.98 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1cfc h GLU 82 CO 0.00 -0.02 0.00 0.93 -1.00 0.00 0.00 179.01 178.92 1cfc h GLU 83 N -0.78 0.00 0.01 2.33 4.39 -1.90 0.15 114.58 118.78 1cfc h GLU 83 Ca -0.04 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1cfc h GLU 83 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1cfc h GLU 83 CO 0.06 0.00 -0.00 0.93 -1.16 0.00 0.00 179.01 178.84 1cfc h GLU 84 N 0.00 -0.01 -0.52 2.33 5.08 -1.49 -2.06 114.58 117.91 1cfc h GLU 84 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1cfc h GLU 84 Cb 0.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1cfc h GLU 84 CO 0.00 0.58 -0.06 0.82 -1.00 0.00 0.00 179.01 179.35 1cfc h ILE 85 N -0.99 1.26 -0.43 3.13 2.04 -0.82 -2.71 117.51 118.99 1cfc h ILE 85 Ca -0.00 -1.16 -0.09 0.00 1.00 0.00 0.00 64.86 64.60 1cfc h ILE 85 Cb 0.59 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1cfc h ILE 85 CO 0.00 0.41 -0.11 0.03 0.00 0.00 0.00 178.15 178.48 1cfc h ARG 86 N 0.84 0.76 0.00 2.37 3.08 -0.83 -1.41 114.38 119.19 1cfc h ARG 86 Ca 0.14 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 1cfc h ARG 86 Cb 0.58 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1cfc h ARG 86 CO 0.04 0.84 -0.17 0.93 -1.07 0.00 0.00 179.97 180.54 1cfc h GLU 87 N 0.69 0.00 0.19 0.04 5.08 -1.06 0.69 114.58 120.21 1cfc h GLU 87 Ca 0.12 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.23 1cfc h GLU 87 Cb 0.58 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.86 1cfc h GLU 87 CO 0.04 0.17 -1.10 0.00 -1.00 0.00 0.00 179.01 177.12 1cfc h ALA 88 N 1.83 -0.13 -0.10 3.43 0.00 -1.20 -2.88 119.26 120.22 1cfc h ALA 88 Ca -0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 54.91 54.11 1cfc h ALA 88 Cb 0.40 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1cfc h ALA 88 CO 0.02 0.51 -0.09 0.74 0.00 0.00 0.00 179.25 180.43 1cfc h PHE 89 N -0.15 0.15 -0.14 0.00 0.04 -0.67 -1.66 116.94 114.51 1cfc h PHE 89 Ca -0.19 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.59 1cfc h PHE 89 Cb 1.87 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 39.95 1cfc h PHE 89 CO 0.17 0.25 -0.01 -0.09 -0.60 0.00 0.00 178.31 178.03 1cfc h ARG 90 N 0.15 0.03 -0.44 1.51 2.43 0.48 1.54 114.38 120.08 1cfc h ARG 90 Ca 0.03 -0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.33 1cfc h ARG 90 Cb 0.26 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1cfc h ARG 90 CO 0.01 0.02 0.47 0.28 -1.51 0.00 0.00 179.97 179.25 1cfc h VAL 91 N 0.04 0.37 0.00 0.20 2.07 -1.10 0.21 116.25 118.04 1cfc h VAL 91 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1cfc h VAL 91 Cb 0.08 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1cfc h VAL 91 CO -0.12 0.00 -1.29 0.49 0.02 0.00 0.00 177.57 176.67 1cfc n PHE 92 N -3.72 0.00 -1.87 1.57 3.72 0.20 -4.45 117.46 112.91 1cfc n PHE 92 Ca 0.08 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.10 1cfc n PHE 92 Cb 0.66 -0.15 -0.01 0.00 -0.94 0.00 0.00 39.48 39.04 1cfc n PHE 92 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1cfc n ASP 93 N -1.72 7.93 0.32 4.37 2.03 0.47 -4.68 116.55 125.27 1cfc n ASP 93 Ca 0.02 -3.09 0.21 0.00 0.52 0.00 0.00 54.79 52.44 1cfc n ASP 93 Cb 0.40 -1.37 1.12 0.00 -0.72 0.00 0.00 41.12 40.55 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 4.46 0.00 -0.61 -0.67 1.57 -1.78 -0.46 116.57 119.09 1cfc h LYS 94 Ca 0.68 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.46 1cfc h LYS 94 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1cfc h LYS 94 CO 1.43 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 180.06 1cfc n ASP 95 N -2.96 3.69 -1.42 0.86 9.92 -1.26 -4.91 116.55 120.47 1cfc n ASP 95 Ca -0.03 -1.99 -0.05 0.00 -0.53 0.00 0.00 54.79 52.19 1cfc n ASP 95 Cb 0.09 -0.40 -0.02 0.00 -0.64 0.00 0.00 41.12 40.16 1cfc n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cfc n GLY 96 N 1.59 0.29 0.05 0.44 0.00 -0.18 -4.69 105.19 102.69 1cfc n GLY 96 Ca 0.22 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.27 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 0.01 0.08 0.00 1.61 4.05 -1.26 -4.99 115.26 114.76 1cfc n ASN 97 Ca -0.05 0.03 0.00 0.00 0.45 0.00 0.00 54.58 55.01 1cfc n ASN 97 Cb 0.24 1.48 0.00 0.00 1.23 0.00 0.00 39.78 42.73 1cfc n ASN 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1cfc n GLY 98 N 1.45 0.86 3.13 8.20 0.00 -1.26 -5.07 105.19 112.49 1cfc n GLY 98 Ca -0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.04 1.68 0.12 1.61 1.51 -1.26 -3.63 117.35 115.34 1cfc s TYR 99 Ca 0.00 -0.46 -0.02 0.00 -1.01 0.00 0.00 57.07 55.58 1cfc s TYR 99 Cb 0.00 -1.13 -0.04 0.00 -0.11 0.00 0.00 41.96 40.69 1cfc s TYR 99 CO 0.00 -0.15 0.07 0.96 -1.11 0.00 0.00 175.55 175.32 1cfc s ILE 100 N -0.01 0.11 0.28 2.71 -4.36 -1.19 -4.86 121.20 113.88 1cfc s ILE 100 Ca -0.03 -1.85 -0.29 0.00 -0.26 0.00 0.00 60.65 58.22 1cfc s ILE 100 Cb -0.11 -1.97 -0.09 0.00 1.25 0.00 0.00 42.46 41.54 1cfc s ILE 100 CO 0.02 -0.51 1.08 -0.94 0.24 0.00 0.00 174.94 174.83 1cfc s SER 101 N -3.03 7.31 0.50 4.36 1.04 -1.26 -3.01 113.70 119.61 1cfc s SER 101 Ca 0.22 2.23 0.37 0.00 0.48 0.00 0.00 55.95 59.25 1cfc s SER 101 Cb 0.07 -2.62 1.53 0.00 0.10 0.00 0.00 66.02 65.10 1cfc s SER 101 CO 0.00 -0.11 1.65 0.00 0.98 0.00 0.00 173.24 175.77 1cfc h ALA 102 N 3.84 3.15 0.11 5.32 0.00 -1.93 0.48 119.26 130.22 1cfc h ALA 102 Ca -0.47 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1cfc h ALA 102 Cb 1.21 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1cfc h ALA 102 CO 0.67 -1.68 -0.05 0.00 0.00 0.00 0.00 179.25 178.18 1cfc h ALA 103 N 1.37 -0.14 -0.49 0.00 0.00 -1.92 0.50 119.26 118.57 1cfc h ALA 103 Ca 0.79 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.61 1cfc h ALA 103 Cb 2.83 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 20.65 1cfc h ALA 103 CO -0.20 -0.51 0.31 0.93 0.00 0.00 0.00 179.25 179.79 1cfc h GLU 104 N -0.28 0.65 -0.05 0.00 5.08 -0.46 0.41 114.58 119.92 1cfc h GLU 104 Ca -0.01 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1cfc h GLU 104 Cb 0.23 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1cfc h GLU 104 CO 0.02 0.44 -0.03 1.25 -1.00 0.00 0.00 179.01 179.70 1cfc h LEU 105 N 0.67 0.11 -0.92 1.33 5.85 -0.43 0.38 115.31 122.30 1cfc h LEU 105 Ca 0.18 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1cfc h LEU 105 Cb -0.06 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1cfc h LEU 105 CO -0.04 0.52 0.52 0.03 -0.34 0.00 0.00 178.44 179.14 1cfc h ARG 106 N -0.30 1.27 -0.59 1.25 3.08 0.48 -1.52 114.38 118.06 1cfc h ARG 106 Ca 0.01 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 1cfc h ARG 106 Cb 0.48 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1cfc h ARG 106 CO 0.01 0.91 0.27 1.25 -1.07 0.00 0.00 179.97 181.34 1cfc h HIS 107 N 1.28 0.88 -0.64 3.04 2.76 0.03 0.76 115.15 123.25 1cfc h HIS 107 Ca 0.33 -0.05 0.01 0.00 -2.20 0.00 0.00 60.37 58.45 1cfc h HIS 107 Cb -0.00 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 28.66 1cfc h HIS 107 CO 0.01 0.68 0.42 0.28 -1.30 0.00 0.00 177.93 178.02 1cfc h VAL 108 N 0.81 1.16 0.08 5.26 2.07 0.59 0.27 116.25 126.48 1cfc h VAL 108 Ca 0.20 -0.29 -0.25 0.00 0.82 0.00 0.00 66.70 67.18 1cfc h VAL 108 Cb 0.15 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1cfc h VAL 108 CO -0.02 0.16 -1.11 0.24 0.02 0.00 0.00 177.57 176.86 1cfc h MET 109 N 0.86 0.30 0.15 1.57 2.07 -0.47 -3.15 114.93 116.26 1cfc h MET 109 Ca 0.24 -0.43 -0.30 0.00 -2.07 0.00 0.00 59.70 57.14 1cfc h MET 109 Cb -0.08 0.15 0.00 0.00 -1.87 0.00 0.00 31.60 29.80 1cfc h MET 109 CO -0.05 1.15 -1.51 1.15 1.07 0.00 0.00 176.91 178.73 1cfc h THR 110 N 0.12 1.03 0.00 2.22 2.02 -0.49 -3.33 112.91 114.48 1cfc h THR 110 Ca -0.11 -2.46 -0.02 0.00 0.77 0.00 0.00 66.41 64.60 1cfc h THR 110 Cb 1.80 2.77 -0.00 0.00 -1.74 0.00 0.00 68.15 70.98 1cfc h THR 110 CO 0.18 0.77 -0.08 -1.13 0.37 0.00 0.00 175.52 175.63 1cfc h ASN 111 N -0.14 0.00 -0.00 4.18 -0.73 -0.63 -1.76 115.58 116.50 1cfc h ASN 111 Ca -0.31 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.86 1cfc h ASN 111 Cb 1.89 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 40.48 1cfc h ASN 111 CO 0.12 0.08 0.00 -0.07 -0.37 0.00 0.00 177.43 177.19 1cfc h LEU 112 N 0.00 0.00 -0.03 0.34 3.38 -1.65 -3.45 115.31 113.90 1cfc h LEU 112 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1cfc h LEU 112 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1cfc h LEU 112 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1cfc n GLY 113 N -1.40 1.21 3.82 0.83 0.00 -0.66 -5.06 105.19 103.93 1cfc n GLY 113 Ca -0.03 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.42 4.19 0.00 1.61 0.41 -1.26 -4.89 118.70 116.34 1cfc s GLU 114 Ca 0.00 1.13 -0.02 0.00 -0.41 0.00 0.00 54.97 55.66 1cfc s GLU 114 Cb 0.00 -2.17 -0.10 0.00 -1.78 0.00 0.00 34.13 30.08 1cfc s GLU 114 CO 0.00 -0.07 2.54 1.63 -0.49 0.00 0.00 175.26 178.87 1cfc n LYS 115 N -0.71 1.33 -3.24 1.61 5.02 -1.26 -4.85 118.16 116.06 1cfc n LYS 115 Ca 0.07 -0.35 -0.38 0.00 -2.02 0.00 0.00 58.31 55.63 1cfc n LYS 115 Cb 0.54 -1.36 -0.06 0.00 -0.02 0.00 0.00 35.03 34.13 1cfc n LYS 115 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1cfc s LEU 116 N 0.00 4.47 0.01 -0.35 0.05 -1.26 -5.08 118.68 116.52 1cfc s LEU 116 Ca 0.24 1.28 0.01 0.00 0.05 0.00 0.00 54.13 55.71 1cfc s LEU 116 Cb 0.11 -3.11 -0.04 0.00 -2.05 0.00 0.00 46.19 41.11 1cfc s LEU 116 CO 0.00 0.20 0.02 0.42 -0.55 0.00 0.00 176.35 176.44 1cfc s THR 117 N -1.25 4.31 0.67 5.48 -4.23 -1.26 -4.97 115.64 114.39 1cfc s THR 117 Ca 0.33 -0.60 0.29 0.00 -1.18 0.00 0.00 61.69 60.54 1cfc s THR 117 Cb -0.18 -2.95 0.29 0.00 1.34 0.00 0.00 72.50 70.99 1cfc s THR 117 CO 0.20 0.33 1.90 0.44 -0.54 0.00 0.00 174.62 176.95 1cfc h ASP 118 N 4.14 0.00 0.03 3.99 3.32 -2.00 -0.15 116.42 125.75 1cfc h ASP 118 Ca -0.49 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.37 1cfc h ASP 118 Cb 1.18 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.74 1cfc h ASP 118 CO 0.59 0.00 -0.76 -0.33 -1.72 0.00 0.00 179.24 177.02 1cfc h GLU 119 N 0.00 0.47 -0.59 3.56 5.08 -1.99 -2.26 114.58 118.84 1cfc h GLU 119 Ca 0.00 -0.54 -0.02 0.00 -1.00 0.00 0.00 59.36 57.80 1cfc h GLU 119 Cb 0.70 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 1cfc h GLU 119 CO -0.00 1.18 0.31 0.93 -1.00 0.00 0.00 179.01 180.43 1cfc h GLU 120 N -0.01 0.84 -0.47 2.33 5.08 -1.42 -2.44 114.58 118.49 1cfc h GLU 120 Ca -0.10 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.04 1cfc h GLU 120 Cb 1.47 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 1cfc h GLU 120 CO 0.15 0.67 -0.13 0.28 -1.00 0.00 0.00 179.01 178.97 1cfc h VAL 121 N 0.81 1.27 -0.92 3.13 2.07 -1.59 -2.33 116.25 118.67 1cfc h VAL 121 Ca 0.21 -1.25 0.23 0.00 0.82 0.00 0.00 66.70 66.70 1cfc h VAL 121 Cb 0.08 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 1cfc h VAL 121 CO -0.03 0.43 0.62 0.44 0.02 0.00 0.00 177.57 179.05 1cfc h ASP 122 N 0.79 0.31 -0.04 0.57 3.32 -0.91 0.52 116.42 120.98 1cfc h ASP 122 Ca 0.12 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 1cfc h ASP 122 Cb 0.66 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.20 1cfc h ASP 122 CO 0.05 0.11 -0.40 -0.08 -1.72 0.00 0.00 179.24 177.19 1cfc h GLU 123 N 0.30 0.34 -0.06 3.56 4.81 -1.24 -2.35 114.58 119.94 1cfc h GLU 123 Ca 0.48 -0.32 0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1cfc h GLU 123 Cb 1.36 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.82 1cfc h GLU 123 CO -0.15 0.98 0.06 0.52 -0.73 0.00 0.00 179.01 179.69 1cfc h MET 124 N -0.19 0.00 0.00 1.92 2.86 -0.31 0.17 114.93 119.38 1cfc h MET 124 Ca -0.04 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.42 1cfc h MET 124 Cb 1.09 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.73 1cfc h MET 124 CO 0.08 0.00 -0.84 0.82 1.06 0.00 0.00 176.91 178.03 1cfc h ILE 125 N 0.00 1.51 -0.02 -1.22 2.04 0.06 -3.05 117.51 116.82 1cfc h ILE 125 Ca 0.03 -2.97 0.02 0.00 1.00 0.00 0.00 64.86 62.93 1cfc h ILE 125 Cb 0.14 2.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 1cfc h ILE 125 CO -0.00 0.82 -0.08 0.03 0.00 0.00 0.00 178.15 178.93 1cfc h ARG 126 N 0.00 -0.12 0.00 2.37 3.08 -0.41 -2.60 114.38 116.70 1cfc h ARG 126 Ca -0.01 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1cfc h ARG 126 Cb 1.58 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.65 1cfc h ARG 126 CO 0.11 -0.08 -0.10 0.93 -1.07 0.00 0.00 179.97 179.76 1cfc h GLU 127 N -0.13 0.00 -4.18 0.04 3.07 -1.67 -3.36 114.58 108.36 1cfc h GLU 127 Ca 0.04 0.00 -0.75 0.00 -0.50 0.00 0.00 59.36 58.15 1cfc h GLU 127 Cb 0.18 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 27.91 1cfc h GLU 127 CO -0.10 0.10 1.48 0.00 -1.40 0.00 0.00 179.01 179.10 1cfc n ALA 128 N -2.13 4.44 -1.04 3.43 0.00 -0.98 -4.91 120.51 119.33 1cfc n ALA 128 Ca 0.03 -4.33 -0.04 0.00 0.00 0.00 0.00 53.44 49.11 1cfc n ALA 128 Cb 0.55 -2.95 -0.04 0.00 0.00 0.00 0.00 19.45 17.01 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 4.65 -1.83 -0.05 0.00 8.00 -1.26 -4.57 116.55 121.49 1cfc n ASP 129 Ca 0.36 -1.21 0.13 0.00 0.71 0.00 0.00 54.79 54.79 1cfc n ASP 129 Cb 0.40 -0.56 0.77 0.00 -0.02 0.00 0.00 41.12 41.71 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 4.47 0.01 -2.48 0.53 5.41 -1.26 -4.77 119.36 121.27 1cfc n ILE 130 Ca 0.11 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.84 1cfc n ILE 130 Cb 0.42 -0.34 0.00 0.00 -0.71 0.00 0.00 39.64 39.01 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 -0.81 1.10 0.00 4.38 2.03 -1.26 -4.23 116.55 117.75 1cfc n ASP 131 Ca 0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1cfc n ASP 131 Cb 0.12 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 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 1.17 0.00 0.27 0.00 -1.26 -4.30 105.19 106.07 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 0.29 0.00 0.00 1.61 8.00 -1.26 -5.08 116.55 120.11 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 2.10 0.64 3.37 0.44 0.00 -1.26 -5.13 105.19 105.35 1cfc n GLY 134 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1cfc n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cfc s GLN 135 N 0.00 1.40 0.01 1.61 -0.21 -1.26 -4.10 119.66 117.12 1cfc s GLN 135 Ca 0.00 -1.59 -0.05 0.00 0.02 0.00 0.00 55.36 53.74 1cfc s GLN 135 Cb 0.00 -1.34 -0.01 0.00 1.00 0.00 0.00 33.01 32.66 1cfc s GLN 135 CO 0.00 0.25 0.10 0.08 -2.12 0.00 0.00 175.29 173.59 1cfc s VAL 136 N -2.61 0.10 -1.00 1.09 1.01 -1.16 -4.96 120.40 112.87 1cfc s VAL 136 Ca 0.23 -0.83 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 1cfc s VAL 136 Cb -0.03 -0.50 0.08 0.00 0.00 0.00 0.00 36.38 35.93 1cfc s VAL 136 CO 0.09 -0.45 1.34 0.21 0.00 0.00 0.00 175.10 176.29 1cfc s ASN 137 N -1.57 6.56 0.60 3.32 2.47 -1.26 -3.20 114.94 121.86 1cfc s ASN 137 Ca -0.13 -1.69 0.00 0.00 0.42 0.00 0.00 52.86 51.46 1cfc s ASN 137 Cb -0.07 -2.51 0.00 0.00 -1.45 0.00 0.00 41.25 37.22 1cfc s ASN 137 CO -0.00 -1.34 0.92 0.00 -3.72 0.00 0.00 177.10 172.95 1cfc n TYR 138 N 8.03 0.00 -0.30 0.43 4.11 -1.24 -1.21 117.16 126.99 1cfc n TYR 138 Ca 0.30 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 58.30 1cfc n TYR 138 Cb 0.50 0.00 0.25 0.00 -0.00 0.00 0.00 39.34 40.10 1cfc n TYR 138 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 1cfc h GLU 139 N 0.00 0.52 -0.38 -3.48 4.81 -1.88 0.49 114.58 114.67 1cfc h GLU 139 Ca 0.00 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 1cfc h GLU 139 Cb 1.83 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 31.08 1cfc h GLU 139 CO 0.00 0.35 -0.31 0.93 -0.73 0.00 0.00 179.01 179.24 1cfc h GLU 140 N 0.54 0.83 -0.09 1.92 4.39 -1.58 -2.93 114.58 117.66 1cfc h GLU 140 Ca 0.50 -0.39 -0.12 0.00 0.34 0.00 0.00 59.36 59.69 1cfc h GLU 140 Cb 0.80 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 1cfc h GLU 140 CO -0.42 1.03 -0.49 0.74 -1.16 0.00 0.00 179.01 178.70 1cfc h PHE 141 N 0.70 0.29 -0.70 4.33 0.04 -0.93 -2.75 116.94 117.92 1cfc h PHE 141 Ca 0.08 -0.09 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 1cfc h PHE 141 Cb 0.86 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.92 1cfc h PHE 141 CO 0.05 0.69 0.35 0.28 -0.60 0.00 0.00 178.31 179.07 1cfc h VAL 142 N 0.19 1.23 0.00 -0.55 2.07 0.02 -1.92 116.25 117.29 1cfc h VAL 142 Ca 0.01 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 1cfc h VAL 142 Cb 0.94 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1cfc h VAL 142 CO 0.08 0.26 -0.01 1.56 0.02 0.00 0.00 177.57 179.48 1cfc h GLN 143 N 0.97 0.00 0.01 1.57 4.20 -1.42 -3.19 115.11 117.25 1cfc h GLN 143 Ca 0.24 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.69 1cfc h GLN 143 Cb 0.10 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.90 1cfc h GLN 143 CO -0.03 0.01 -1.01 0.52 -0.67 0.00 0.00 178.83 177.65 1cfc h MET 144 N 0.00 0.67 0.00 1.46 2.86 -1.06 -2.78 114.93 116.08 1cfc h MET 144 Ca -0.00 -0.73 0.00 0.00 -2.06 0.00 0.00 59.70 56.91 1cfc h MET 144 Cb 0.72 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.59 1cfc h MET 144 CO 0.00 1.31 0.00 0.52 1.06 0.00 0.00 176.91 179.80 1cfc h MET 145 N 0.33 0.00 0.00 1.72 2.86 -1.45 -3.22 114.93 115.18 1cfc h MET 145 Ca -0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1cfc h MET 145 Cb 1.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.34 1cfc h MET 145 CO 0.20 0.00 -0.04 1.79 1.06 0.00 0.00 176.91 179.92 1cfc h THR 146 N 0.00 0.00 -0.08 2.22 1.35 -1.59 -3.49 112.91 111.32 1cfc h THR 146 Ca 0.00 -0.59 0.27 0.00 -0.55 0.00 0.00 66.41 65.54 1cfc h THR 146 Cb 0.30 0.00 -0.27 0.00 -1.73 0.00 0.00 68.15 66.45 1cfc h THR 146 CO 0.00 0.00 0.52 0.00 -0.25 0.00 0.00 175.52 175.79 1cfc s ALA 147 N -2.75 -3.39 -0.21 6.62 0.00 -1.06 -5.14 121.76 115.83 1cfc s ALA 147 Ca -0.01 1.71 0.00 0.00 0.00 0.00 0.00 51.96 53.66 1cfc s ALA 147 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.78 1cfc s ALA 147 CO 0.02 -1.04 0.05 1.63 0.00 0.00 0.00 175.76 176.42