#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 -0.08 -4.72 0.00 -0.08 -1.26 -4.13 116.55 106.27 1cfc n ASP 2 Ca 0.00 -1.33 -0.37 0.00 -1.51 0.00 0.00 54.79 51.58 1cfc n ASP 2 Cb 0.00 -0.01 0.07 0.00 2.34 0.00 0.00 41.12 43.51 1cfc n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cfc n GLN 3 N 0.02 1.18 -2.01 -0.67 6.02 -1.26 -4.90 117.38 115.76 1cfc n GLN 3 Ca -0.03 0.46 -0.41 0.00 -0.01 0.00 0.00 57.00 57.00 1cfc n GLN 3 Cb 0.58 -2.52 -0.02 0.00 1.02 0.00 0.00 30.24 29.29 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 -4.12 4.38 0.61 1.08 1.43 -1.26 -4.98 118.68 115.83 1cfc s LEU 4 Ca 0.81 2.64 -0.14 0.00 -1.03 0.00 0.00 54.13 56.42 1cfc s LEU 4 Cb -0.39 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.19 1cfc s LEU 4 CO 0.42 -0.72 1.04 0.42 0.23 0.00 0.00 176.35 177.74 1cfc s THR 5 N 0.22 4.08 0.41 5.49 -4.23 -1.26 -4.88 115.64 115.46 1cfc s THR 5 Ca 0.61 0.86 0.08 0.00 -1.18 0.00 0.00 61.69 62.06 1cfc s THR 5 Cb -0.42 -3.49 0.28 0.00 1.34 0.00 0.00 72.50 70.21 1cfc s THR 5 CO 0.41 -0.70 2.04 -0.33 -0.54 0.00 0.00 174.62 175.50 1cfc h GLU 6 N 0.10 0.54 -0.19 3.99 5.08 -1.99 -1.76 114.58 120.34 1cfc h GLU 6 Ca -0.46 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 57.80 1cfc h GLU 6 Cb 1.21 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1cfc h GLU 6 CO 0.58 0.36 -0.16 0.93 -1.00 0.00 0.00 179.01 179.72 1cfc h GLU 7 N 0.55 0.44 -0.81 2.33 4.39 -1.98 -1.14 114.58 118.36 1cfc h GLU 7 Ca 0.18 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.68 1cfc h GLU 7 Cb 0.06 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 1cfc h GLU 7 CO -0.05 0.78 0.53 1.96 -1.16 0.00 0.00 179.01 181.08 1cfc h GLN 8 N 0.11 1.03 -0.25 2.33 4.20 -1.77 0.48 115.11 121.25 1cfc h GLN 8 Ca 0.03 -0.06 -0.17 0.00 0.06 0.00 0.00 58.65 58.51 1cfc h GLN 8 Cb 0.68 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 1cfc h GLN 8 CO 0.04 0.68 -0.52 0.82 -0.67 0.00 0.00 178.83 179.18 1cfc h ILE 9 N 1.06 1.30 0.00 2.54 2.04 -1.21 -2.41 117.51 120.82 1cfc h ILE 9 Ca 0.31 -1.73 -0.08 0.00 1.00 0.00 0.00 64.86 64.35 1cfc h ILE 9 Cb -0.06 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1cfc h ILE 9 CO -0.08 0.55 -0.37 0.00 0.00 0.00 0.00 178.15 178.26 1cfc h ALA 10 N 0.86 1.13 -0.05 1.87 0.00 -0.30 -0.83 119.26 121.94 1cfc h ALA 10 Ca 0.02 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 1cfc h ALA 10 Cb 1.09 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.83 1cfc h ALA 10 CO 0.11 0.46 -0.52 1.49 0.00 0.00 0.00 179.25 180.79 1cfc h GLU 11 N 0.00 0.43 -0.42 0.00 4.81 -0.74 -2.68 114.58 115.97 1cfc h GLU 11 Ca -0.00 -0.40 -0.09 0.00 -0.13 0.00 0.00 59.36 58.73 1cfc h GLU 11 Cb 0.78 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 1cfc h GLU 11 CO 0.05 1.05 -0.11 0.74 -0.73 0.00 0.00 179.01 180.01 1cfc h PHE 12 N -0.05 0.82 -0.25 0.92 0.04 -1.31 -1.25 116.94 115.88 1cfc h PHE 12 Ca -0.05 -0.15 0.01 0.00 2.80 0.00 0.00 57.97 60.58 1cfc h PHE 12 Cb 1.20 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 39.12 1cfc h PHE 12 CO 0.13 0.82 0.13 -0.22 -0.60 0.00 0.00 178.31 178.58 1cfc h LYS 13 N 0.68 0.27 -0.06 1.51 3.64 -1.13 0.44 116.57 121.92 1cfc h LYS 13 Ca 0.12 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1cfc h LYS 13 Cb 0.57 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1cfc h LYS 13 CO 0.04 0.18 0.02 0.93 -2.27 0.00 0.00 179.45 178.35 1cfc h GLU 14 N 0.28 0.10 -0.12 1.90 4.39 -1.28 -1.06 114.58 118.79 1cfc h GLU 14 Ca 0.10 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.81 1cfc h GLU 14 Cb 0.01 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1cfc h GLU 14 CO -0.06 0.28 0.12 0.00 -1.16 0.00 0.00 179.01 178.20 1cfc h ALA 15 N 0.81 1.82 0.09 3.43 0.00 -0.88 -1.72 119.26 122.81 1cfc h ALA 15 Ca 0.02 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1cfc h ALA 15 Cb 0.23 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.04 1cfc h ALA 15 CO -0.00 -0.18 -0.72 0.35 0.00 0.00 0.00 179.25 178.69 1cfc h PHE 16 N 0.00 0.57 -0.07 0.00 3.57 0.62 -3.28 116.94 118.35 1cfc h PHE 16 Ca 0.06 -0.37 -0.05 0.00 3.53 0.00 0.00 57.97 61.14 1cfc h PHE 16 Cb 0.29 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1cfc h PHE 16 CO 0.00 1.24 -0.19 0.66 -2.23 0.00 0.00 178.31 177.79 1cfc h SER 17 N -0.27 0.10 -0.25 0.41 4.64 -0.51 -2.47 113.55 115.20 1cfc h SER 17 Ca -0.11 -0.02 0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1cfc h SER 17 Cb 1.51 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.56 1cfc h SER 17 CO 0.14 0.31 0.56 -0.07 -0.87 0.00 0.00 176.83 176.89 1cfc h LEU 18 N 0.10 0.00 -2.86 5.97 3.38 -1.40 0.15 115.31 120.65 1cfc h LEU 18 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1cfc h LEU 18 Cb 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1cfc h LEU 18 CO 0.03 0.00 -0.21 0.49 0.09 0.00 0.00 178.44 178.84 1cfc n PHE 19 N -3.15 0.00 -3.00 1.13 3.01 -0.93 -4.86 117.46 109.66 1cfc n PHE 19 Ca 0.04 -0.93 -0.43 0.00 1.01 0.00 0.00 57.45 57.14 1cfc n PHE 19 Cb 0.67 -0.15 0.01 0.00 -0.01 0.00 0.00 39.48 39.99 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 -1.10 6.39 0.00 4.37 2.03 0.51 -4.66 116.55 124.09 1cfc n ASP 20 Ca 0.14 -3.40 0.13 0.00 0.52 0.00 0.00 54.79 52.17 1cfc n ASP 20 Cb 0.68 -1.28 0.74 0.00 -0.72 0.00 0.00 41.12 40.54 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 1.39 0.75 -0.14 -0.67 4.76 -1.26 -2.73 118.16 120.26 1cfc n LYS 21 Ca 0.26 0.01 0.12 0.00 -2.87 0.00 0.00 58.31 55.83 1cfc n LYS 21 Cb 0.33 -1.50 0.19 0.00 -1.84 0.00 0.00 35.03 32.22 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 -1.03 3.32 -0.84 4.39 8.00 -1.26 -4.91 116.55 124.22 1cfc n ASP 22 Ca 0.18 -1.99 -0.06 0.00 0.71 0.00 0.00 54.79 53.63 1cfc n ASP 22 Cb 0.10 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 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 1.47 0.57 0.71 0.44 0.00 -1.11 -4.66 105.19 102.61 1cfc n GLY 23 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 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 0.42 2.47 -0.16 1.61 2.03 -1.26 -4.95 116.55 116.70 1cfc n ASP 24 Ca -0.06 -1.74 -0.01 0.00 0.52 0.00 0.00 54.79 53.50 1cfc n ASP 24 Cb 0.27 0.26 -0.00 0.00 -0.72 0.00 0.00 41.12 40.92 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 1.39 0.33 3.18 0.27 0.00 -1.26 -5.04 105.19 104.05 1cfc n GLY 25 Ca 0.11 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.07 0.06 0.17 2.61 -4.23 -1.26 -3.63 115.64 107.28 1cfc s THR 26 Ca 0.00 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 58.53 1cfc s THR 26 Cb 0.00 -2.31 -0.04 0.00 1.34 0.00 0.00 72.50 71.49 1cfc s THR 26 CO 0.00 -0.20 0.10 0.27 -0.54 0.00 0.00 174.62 174.26 1cfc s ILE 27 N -4.10 0.05 0.57 2.99 -4.36 -0.32 -4.41 121.20 111.62 1cfc s ILE 27 Ca 0.33 -1.94 -0.01 0.00 -0.26 0.00 0.00 60.65 58.76 1cfc s ILE 27 Cb 0.07 -2.27 0.03 0.00 1.25 0.00 0.00 42.46 41.55 1cfc s ILE 27 CO 0.08 -0.23 0.82 0.42 0.24 0.00 0.00 174.94 176.27 1cfc s THR 28 N -4.10 2.95 0.25 8.37 -4.23 -1.26 -0.82 115.64 116.79 1cfc s THR 28 Ca 0.31 -0.47 0.12 0.00 -1.18 0.00 0.00 61.69 60.48 1cfc s THR 28 Cb 0.07 -3.14 0.01 0.00 1.34 0.00 0.00 72.50 70.78 1cfc s THR 28 CO 0.07 -0.12 1.64 0.71 -0.54 0.00 0.00 174.62 176.38 1cfc h THR 29 N -0.04 1.30 0.00 3.99 1.35 -1.87 -2.89 112.91 114.75 1cfc h THR 29 Ca -0.44 -1.97 -0.03 0.00 -0.55 0.00 0.00 66.41 63.43 1cfc h THR 29 Cb 1.29 2.09 -0.00 0.00 -1.73 0.00 0.00 68.15 69.79 1cfc h THR 29 CO 0.56 0.54 -0.12 0.11 -0.25 0.00 0.00 175.52 176.36 1cfc h LYS 30 N 0.00 0.00 -0.60 4.72 1.57 -1.94 -2.01 116.57 118.31 1cfc h LYS 30 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1cfc h LYS 30 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1cfc h LYS 30 CO 0.07 0.12 0.00 0.39 -0.57 0.00 0.00 179.45 179.46 1cfc n GLU 31 N -3.61 2.63 0.07 3.15 1.02 -1.09 -4.46 120.64 118.34 1cfc n GLU 31 Ca -0.02 -2.51 -0.13 0.00 -0.02 0.00 0.00 57.16 54.48 1cfc n GLU 31 Cb 0.25 -1.55 -0.09 0.00 -0.02 0.00 0.00 31.44 30.03 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 4.40 -0.14 -1.99 -4.62 5.85 -1.34 -1.78 115.31 115.68 1cfc h LEU 32 Ca 0.00 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 1cfc h LEU 32 Cb 0.99 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 1cfc h LEU 32 CO 0.00 0.19 -0.10 1.23 -0.34 0.00 0.00 178.44 179.42 1cfc h GLY 33 N -0.50 0.00 1.04 3.75 0.00 -1.78 -1.91 103.07 103.67 1cfc h GLY 33 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 1cfc h GLY 33 CO 0.03 0.00 -0.37 -0.84 0.00 0.00 0.00 176.54 175.36 1cfc h THR 34 N 0.00 1.29 -0.04 4.70 2.02 -1.72 -1.04 112.91 118.11 1cfc h THR 34 Ca -0.00 -1.55 -0.01 0.00 0.77 0.00 0.00 66.41 65.62 1cfc h THR 34 Cb 0.24 1.57 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1cfc h THR 34 CO 0.01 0.50 -0.00 0.58 0.37 0.00 0.00 175.52 176.98 1cfc h VAL 35 N 0.56 1.26 -0.77 3.16 2.07 -0.66 -2.47 116.25 119.39 1cfc h VAL 35 Ca 0.04 -0.78 0.09 0.00 0.82 0.00 0.00 66.70 66.87 1cfc h VAL 35 Cb 0.96 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 32.37 1cfc h VAL 35 CO 0.09 0.21 0.50 0.24 0.02 0.00 0.00 177.57 178.63 1cfc h MET 36 N -0.22 0.68 -0.37 1.57 2.86 -1.36 0.11 114.93 118.18 1cfc h MET 36 Ca 0.01 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1cfc h MET 36 Cb 0.34 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1cfc h MET 36 CO 0.00 0.45 0.10 0.00 1.06 0.00 0.00 176.91 178.52 1cfc h ARG 37 N 0.70 0.55 -0.44 1.72 2.47 -0.80 -1.35 114.38 117.23 1cfc h ARG 37 Ca 0.35 -0.09 -0.02 0.00 -1.26 0.00 0.00 59.98 58.97 1cfc h ARG 37 Cb 0.44 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.65 1cfc h ARG 37 CO -0.13 0.50 0.18 0.66 0.56 0.00 0.00 179.97 181.74 1cfc h SER 38 N 0.54 0.55 0.00 7.04 4.64 -0.35 0.21 113.55 126.18 1cfc h SER 38 Ca 0.13 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1cfc h SER 38 Cb 0.19 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1cfc h SER 38 CO -0.01 0.50 0.00 0.18 -0.87 0.00 0.00 176.83 176.63 1cfc n LEU 39 N -4.38 0.00 0.00 5.97 4.77 -0.60 -4.84 117.00 117.91 1cfc n LEU 39 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1cfc n LEU 39 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1cfc n LEU 39 CO 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1cfc n GLY 40 N 0.93 0.61 3.89 -0.72 0.00 0.06 -5.05 105.19 104.91 1cfc n GLY 40 Ca 0.21 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.92 3.45 -0.41 1.61 -1.52 -0.63 -4.99 119.66 116.25 1cfc s GLN 41 Ca 0.00 -0.22 0.06 0.00 -1.95 0.00 0.00 55.36 53.25 1cfc s GLN 41 Cb 0.00 -3.14 0.21 0.00 -0.22 0.00 0.00 33.01 29.86 1cfc s GLN 41 CO 0.00 0.72 0.43 -1.71 -0.25 0.00 0.00 175.29 174.48 1cfc n ASN 42 N 1.44 -0.10 -4.79 5.90 2.85 -1.26 -3.32 115.26 115.98 1cfc n ASN 42 Ca -0.15 -2.54 -0.34 0.00 -0.11 0.00 0.00 54.58 51.44 1cfc n ASN 42 Cb 0.54 -0.59 -0.01 0.00 1.24 0.00 0.00 39.78 40.96 1cfc n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1cfc s PRO 43 N -0.55 3.46 1.10 1.20 0.04 -1.26 -5.02 135.00 133.96 1cfc s PRO 43 Ca 0.34 1.45 -0.16 0.00 0.04 0.00 0.00 61.00 62.67 1cfc s PRO 43 Cb 0.10 -2.04 0.24 0.00 0.04 0.00 0.00 34.50 32.84 1cfc s PRO 43 CO -0.16 -0.73 1.10 0.95 0.04 0.00 0.00 177.00 178.20 1cfc s THR 44 N -1.99 1.81 0.19 1.26 -4.23 -1.26 -4.77 115.64 106.65 1cfc s THR 44 Ca 0.69 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 61.11 1cfc s THR 44 Cb -0.20 -2.49 0.09 0.00 1.34 0.00 0.00 72.50 71.24 1cfc s THR 44 CO 0.27 0.00 1.69 -0.33 -0.54 0.00 0.00 174.62 175.71 1cfc h GLU 45 N -2.24 1.10 -0.58 3.99 5.08 -1.99 -1.75 114.58 118.19 1cfc h GLU 45 Ca -0.50 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 57.46 1cfc h GLU 45 Cb 1.31 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1cfc h GLU 45 CO 0.47 1.00 -0.05 0.00 -1.00 0.00 0.00 179.01 179.43 1cfc h ALA 46 N 1.05 0.82 -0.67 3.43 0.00 -1.98 0.17 119.26 122.08 1cfc h ALA 46 Ca 0.20 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1cfc h ALA 46 Cb 0.43 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1cfc h ALA 46 CO 0.01 0.67 0.34 0.93 0.00 0.00 0.00 179.25 181.20 1cfc h GLU 47 N 0.94 0.94 -0.12 0.00 5.08 -1.84 -0.50 114.58 119.08 1cfc h GLU 47 Ca 0.16 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1cfc h GLU 47 Cb 0.61 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1cfc h GLU 47 CO 0.04 0.71 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.36 1cfc h LEU 48 N 0.94 0.49 -1.94 1.33 3.38 -0.71 -2.88 115.31 115.91 1cfc h LEU 48 Ca 0.23 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1cfc h LEU 48 Cb 0.07 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1cfc h LEU 48 CO -0.03 1.00 -0.10 1.56 0.09 0.00 0.00 178.44 180.95 1cfc h GLN 49 N 0.00 0.00 -0.06 1.13 1.08 -0.31 -0.62 115.11 116.33 1cfc h GLN 49 Ca -0.01 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.06 1cfc h GLN 49 Cb 0.94 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.38 1cfc h GLN 49 CO 0.07 0.10 -0.46 0.22 -0.95 0.00 0.00 178.83 177.81 1cfc h ASP 50 N 0.00 0.51 0.26 1.46 3.58 -1.01 -1.78 116.42 119.44 1cfc h ASP 50 Ca -0.00 -0.68 -0.12 0.00 0.42 0.00 0.00 57.03 56.65 1cfc h ASP 50 Cb 0.33 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 1cfc h ASP 50 CO 0.01 1.11 -0.46 0.24 -2.88 0.00 0.00 179.24 177.27 1cfc h MET 51 N -0.05 0.24 -0.36 0.28 2.86 -1.25 -2.92 114.93 113.73 1cfc h MET 51 Ca -0.04 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 1cfc h MET 51 Cb 1.13 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.78 1cfc h MET 51 CO 0.09 0.65 -0.03 0.82 1.06 0.00 0.00 176.91 179.51 1cfc h ILE 52 N 0.20 1.27 -0.66 -1.22 2.04 -1.09 0.23 117.51 118.28 1cfc h ILE 52 Ca 0.01 -1.05 0.08 0.00 1.00 0.00 0.00 64.86 64.89 1cfc h ILE 52 Cb 0.89 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 1cfc h ILE 52 CO 0.07 0.35 0.44 -1.13 0.00 0.00 0.00 178.15 177.88 1cfc h ASN 53 N 0.47 0.54 0.00 1.72 -1.24 -1.14 1.04 115.58 116.97 1cfc h ASN 53 Ca 0.10 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.11 1cfc h ASN 53 Cb 0.51 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.45 1cfc h ASN 53 CO 0.03 0.34 -0.06 -0.33 -1.29 0.00 0.00 177.43 176.11 1cfc h GLU 54 N 0.61 0.00 0.00 6.67 4.39 -1.32 -3.33 114.58 121.60 1cfc h GLU 54 Ca 0.29 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.98 1cfc h GLU 54 Cb 0.36 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1cfc h GLU 54 CO -0.09 0.63 -0.08 0.28 -1.16 0.00 0.00 179.01 178.59 1cfc h VAL 55 N -1.00 1.03 0.00 3.13 2.07 -0.31 -2.03 116.25 119.13 1cfc h VAL 55 Ca -0.01 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1cfc h VAL 55 Cb 0.66 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1cfc h VAL 55 CO -0.01 0.08 0.00 -0.67 0.02 0.00 0.00 177.57 176.99 1cfc n ASP 56 N -4.40 4.93 0.19 0.57 2.03 0.36 -3.94 116.55 116.29 1cfc n ASP 56 Ca -0.03 -2.33 0.12 0.00 0.52 0.00 0.00 54.79 53.08 1cfc n ASP 56 Cb 0.16 -1.02 0.22 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 1.19 0.99 0.00 -1.67 0.00 -1.54 -3.04 119.26 115.18 1cfc h ALA 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cfc h ALA 57 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1cfc h ALA 57 CO 0.00 0.00 -0.01 0.22 0.00 0.00 0.00 179.25 179.46 1cfc h ASP 58 N 0.00 0.00 -0.21 0.00 1.82 -1.86 -3.47 116.42 112.70 1cfc h ASP 58 Ca 0.00 -0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.55 1cfc h ASP 58 Cb 0.94 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.91 1cfc h ASP 58 CO 0.00 0.00 -0.08 0.61 -1.61 0.00 0.00 179.24 178.16 1cfc n GLY 59 N 1.13 0.70 1.15 -0.78 0.00 -1.15 -4.88 105.19 101.38 1cfc n GLY 59 Ca 0.04 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.66 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 0.55 3.53 -2.40 1.61 4.13 -1.26 -4.94 115.26 116.47 1cfc n ASN 60 Ca -0.04 -1.98 -0.09 0.00 1.68 0.00 0.00 54.58 54.15 1cfc n ASN 60 Cb 0.19 -0.31 -0.01 0.00 -1.54 0.00 0.00 39.78 38.12 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 1.45 -0.44 3.23 7.41 0.00 -1.26 -4.90 105.19 110.68 1cfc n GLY 61 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.39 0.00 -0.01 2.61 -4.23 -1.26 -3.17 115.64 107.18 1cfc s THR 62 Ca 0.00 -1.99 -0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1cfc s THR 62 Cb 0.00 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.35 1cfc s THR 62 CO 0.00 0.00 0.02 -0.63 -0.54 0.00 0.00 174.62 173.47 1cfc s ILE 63 N -3.98 -0.02 0.36 2.99 1.01 -0.00 -4.85 121.20 116.71 1cfc s ILE 63 Ca 0.39 0.07 0.07 0.00 0.00 0.00 0.00 60.65 61.18 1cfc s ILE 63 Cb 0.06 -0.05 -0.01 0.00 0.01 0.00 0.00 42.46 42.47 1cfc s ILE 63 CO 0.16 0.03 0.45 1.51 0.00 0.00 0.00 174.94 177.09 1cfc s ASP 64 N 0.35 5.73 0.18 3.58 1.47 -1.26 -1.18 116.67 125.54 1cfc s ASP 64 Ca -0.03 -0.32 -0.12 0.00 1.18 0.00 0.00 52.55 53.25 1cfc s ASP 64 Cb -0.04 -1.03 0.08 0.00 -0.34 0.00 0.00 42.92 41.59 1cfc s ASP 64 CO -0.01 -0.50 1.78 0.15 0.68 0.00 0.00 175.17 177.27 1cfc h PHE 65 N 0.92 0.83 -0.40 2.11 3.57 -1.97 -0.41 116.94 121.60 1cfc h PHE 65 Ca -0.44 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.08 1cfc h PHE 65 Cb 1.26 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.69 1cfc h PHE 65 CO 0.44 0.61 0.12 -1.35 -2.23 0.00 0.00 178.31 175.91 1cfc h PRO 66 N 0.81 0.26 -0.16 6.41 0.11 -1.96 -0.41 132.00 137.07 1cfc h PRO 66 Ca 0.21 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.21 1cfc h PRO 66 Cb 0.07 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 1cfc h PRO 66 CO -0.03 0.17 -0.31 0.93 -0.21 0.00 0.00 178.00 178.55 1cfc h GLU 67 N 0.27 0.32 -0.53 1.05 5.08 -1.93 -2.07 114.58 116.77 1cfc h GLU 67 Ca 0.19 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1cfc h GLU 67 Cb 0.19 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1cfc h GLU 67 CO -0.21 0.60 0.34 0.35 -1.00 0.00 0.00 179.01 179.09 1cfc h PHE 68 N 0.28 0.67 0.00 4.33 3.57 0.49 0.43 116.94 126.70 1cfc h PHE 68 Ca 0.04 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 1cfc h PHE 68 Cb 0.69 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1cfc h PHE 68 CO 0.01 0.43 -0.37 -0.07 -2.23 0.00 0.00 178.31 176.08 1cfc h LEU 69 N 0.72 0.00 -0.28 0.59 3.38 -0.49 -2.51 115.31 116.71 1cfc h LEU 69 Ca 0.19 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.97 1cfc h LEU 69 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1cfc h LEU 69 CO -0.04 0.37 -0.63 0.74 0.09 0.00 0.00 178.44 178.98 1cfc h THR 70 N 0.00 1.28 -0.11 0.22 2.02 -0.62 0.94 112.91 116.65 1cfc h THR 70 Ca -0.00 -1.82 -0.20 0.00 0.77 0.00 0.00 66.41 65.16 1cfc h THR 70 Cb 0.88 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1cfc h THR 70 CO 0.05 0.59 -0.74 0.00 0.37 0.00 0.00 175.52 175.79 1cfc h MET 71 N 0.60 0.54 -0.32 6.66 -0.00 -1.38 -2.27 114.93 118.76 1cfc h MET 71 Ca -0.01 -0.44 -0.15 0.00 -0.00 0.00 0.00 59.70 59.10 1cfc h MET 71 Cb 1.23 0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 32.92 1cfc h MET 71 CO 0.13 1.07 -0.39 0.52 -0.00 0.00 0.00 176.91 178.23 1cfc h MET 72 N 0.37 0.78 0.00 -0.10 2.07 -1.41 -2.73 114.93 113.91 1cfc h MET 72 Ca -0.04 -0.40 -0.07 0.00 -2.07 0.00 0.00 59.70 57.12 1cfc h MET 72 Cb 1.33 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 31.06 1cfc h MET 72 CO 0.14 1.03 -0.33 0.00 1.07 0.00 0.00 176.91 178.82 1cfc h ALA 73 N 0.92 1.36 -0.27 6.32 0.00 -0.74 -1.24 119.26 125.61 1cfc h ALA 73 Ca 0.05 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1cfc h ALA 73 Cb 0.95 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1cfc h ALA 73 CO 0.09 0.41 -0.29 0.00 0.00 0.00 0.00 179.25 179.46 1cfc h ARG 74 N 0.00 0.55 0.13 0.00 2.47 -1.10 -3.15 114.38 113.27 1cfc h ARG 74 Ca -0.00 -0.23 -0.01 0.00 -1.26 0.00 0.00 59.98 58.48 1cfc h ARG 74 Cb 0.62 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 1cfc h ARG 74 CO 0.04 0.78 -0.06 0.87 0.56 0.00 0.00 179.97 182.16 1cfc h LYS 75 N 0.47 -0.16 -0.92 0.04 1.79 -1.26 -3.36 116.57 113.17 1cfc h LYS 75 Ca 0.06 0.01 0.25 0.00 -2.18 0.00 0.00 60.65 58.79 1cfc h LYS 75 Cb 0.75 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.38 1cfc h LYS 75 CO 0.06 0.07 0.64 0.52 -1.08 0.00 0.00 179.45 179.66 1cfc h MET 76 N -1.01 0.15 0.00 3.15 2.86 -1.29 0.11 114.93 118.89 1cfc h MET 76 Ca -0.02 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1cfc h MET 76 Cb 0.30 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1cfc h MET 76 CO 0.03 0.10 0.57 1.57 1.06 0.00 0.00 176.91 180.24 1cfc h LYS 77 N 0.15 0.00 -0.84 1.72 2.10 -1.69 -1.90 116.57 116.11 1cfc h LYS 77 Ca 0.46 0.00 0.20 0.00 -2.00 0.00 0.00 60.65 59.31 1cfc h LYS 77 Cb 1.56 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.77 1cfc h LYS 77 CO -0.08 0.00 0.31 0.22 -2.00 0.00 0.00 179.45 177.90 1cfc h ASP 78 N 0.00 0.20 -0.94 7.07 3.58 -1.22 0.22 116.42 125.32 1cfc h ASP 78 Ca 0.00 0.15 -0.64 0.00 0.42 0.00 0.00 57.03 56.96 1cfc h ASP 78 Cb 1.15 0.16 -0.27 0.00 1.72 0.00 0.00 39.33 42.09 1cfc h ASP 78 CO 0.00 -0.02 0.83 1.07 -2.88 0.00 0.00 179.24 178.24 1cfc n THR 79 N -5.09 3.54 -0.75 2.25 5.66 -0.71 -4.98 114.28 114.20 1cfc n THR 79 Ca 0.19 -2.78 -0.27 0.00 -3.05 0.00 0.00 64.05 58.15 1cfc n THR 79 Cb 0.58 -1.17 0.10 0.00 -1.55 0.00 0.00 70.33 68.30 1cfc n THR 79 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1cfc n ASP 80 N -0.79 -2.68 0.20 1.09 8.00 0.78 -4.80 116.55 118.35 1cfc n ASP 80 Ca 0.59 -0.14 0.12 0.00 0.71 0.00 0.00 54.79 56.08 1cfc n ASP 80 Cb 0.67 -0.71 0.20 0.00 -0.02 0.00 0.00 41.12 41.27 1cfc n ASP 80 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1cfc h SER 81 N -1.89 0.00 -0.79 -2.24 0.87 -1.89 -3.11 113.55 104.50 1cfc h SER 81 Ca -0.35 -0.00 0.21 0.00 -1.23 0.00 0.00 61.79 60.42 1cfc h SER 81 Cb 1.06 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.98 1cfc h SER 81 CO 0.22 0.00 0.55 1.05 -0.53 0.00 0.00 176.83 178.13 1cfc h GLU 82 N 0.00 0.12 0.00 2.24 4.11 -1.91 0.61 114.58 119.76 1cfc h GLU 82 Ca 0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.38 1cfc h GLU 82 Cb 0.96 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1cfc h GLU 82 CO 0.00 0.08 -0.19 1.05 0.07 0.00 0.00 179.01 180.02 1cfc h GLU 83 N 0.13 0.00 0.10 1.06 4.11 -1.86 0.93 114.58 119.04 1cfc h GLU 83 Ca 0.38 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.59 1cfc h GLU 83 Cb 1.33 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.60 1cfc h GLU 83 CO -0.05 0.19 -0.95 0.93 0.07 0.00 0.00 179.01 179.20 1cfc h GLU 84 N 0.00 0.47 -0.35 1.06 4.39 0.01 -2.15 114.58 118.01 1cfc h GLU 84 Ca -0.00 -0.64 -0.16 0.00 0.34 0.00 0.00 59.36 58.90 1cfc h GLU 84 Cb 0.46 0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1cfc h GLU 84 CO 0.03 1.27 -0.42 0.82 -1.16 0.00 0.00 179.01 179.54 1cfc h ILE 85 N -0.02 1.28 -0.55 3.13 2.04 -1.18 -2.83 117.51 119.37 1cfc h ILE 85 Ca -0.15 -1.60 -0.10 0.00 1.00 0.00 0.00 64.86 64.02 1cfc h ILE 85 Cb 1.68 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 39.22 1cfc h ILE 85 CO 0.18 0.53 -0.05 -0.09 0.00 0.00 0.00 178.15 178.72 1cfc h ARG 86 N 0.70 1.00 0.00 2.37 2.43 -0.90 -0.84 114.38 119.14 1cfc h ARG 86 Ca 0.05 -0.33 -0.03 0.00 -0.81 0.00 0.00 59.98 58.86 1cfc h ARG 86 Cb 1.02 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1cfc h ARG 86 CO 0.10 1.01 -0.14 0.93 -1.51 0.00 0.00 179.97 180.36 1cfc h GLU 87 N 0.90 0.00 0.19 0.20 5.08 -1.31 0.47 114.58 120.11 1cfc h GLU 87 Ca 0.15 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.26 1cfc h GLU 87 Cb 0.59 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.87 1cfc h GLU 87 CO 0.04 0.14 -1.12 0.00 -1.00 0.00 0.00 179.01 177.06 1cfc h ALA 88 N 1.86 -0.13 -0.18 3.43 0.00 -1.17 -2.97 119.26 120.12 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 0.36 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1cfc h ALA 88 CO 0.02 0.52 -0.01 0.74 0.00 0.00 0.00 179.25 180.52 1cfc h PHE 89 N -0.13 0.25 -0.18 0.00 0.04 -0.46 -1.68 116.94 114.78 1cfc h PHE 89 Ca -0.20 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.59 1cfc h PHE 89 Cb 1.89 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 39.93 1cfc h PHE 89 CO 0.17 0.27 0.02 -0.09 -0.60 0.00 0.00 178.31 178.08 1cfc h ARG 90 N 0.25 0.09 -0.32 1.51 2.43 0.01 0.84 114.38 119.19 1cfc h ARG 90 Ca 0.06 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.32 1cfc h ARG 90 Cb 0.19 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1cfc h ARG 90 CO 0.00 0.06 0.47 0.28 -1.51 0.00 0.00 179.97 179.27 1cfc h VAL 91 N 0.09 0.25 -0.01 0.20 2.07 -1.15 0.46 116.25 118.15 1cfc h VAL 91 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1cfc h VAL 91 Cb 0.08 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1cfc h VAL 91 CO -0.12 0.00 -0.43 0.49 0.02 0.00 0.00 177.57 177.53 1cfc n PHE 92 N -3.44 0.00 -1.90 1.57 3.72 0.23 -4.53 117.46 113.10 1cfc n PHE 92 Ca 0.05 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.06 1cfc n PHE 92 Cb 0.61 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.14 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 -0.09 8.05 0.32 4.37 -0.08 0.22 -4.67 116.55 124.68 1cfc n ASP 93 Ca 0.08 -3.09 0.20 0.00 -1.51 0.00 0.00 54.79 50.47 1cfc n ASP 93 Cb 0.41 -1.37 1.07 0.00 2.34 0.00 0.00 41.12 43.57 1cfc n ASP 93 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1cfc h LYS 94 N 4.56 0.00 -0.38 -0.67 1.57 -1.80 0.50 116.57 120.35 1cfc h LYS 94 Ca 0.71 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.49 1cfc h LYS 94 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1cfc h LYS 94 CO 1.47 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 180.10 1cfc n ASP 95 N -2.96 3.39 -0.63 0.86 9.92 -1.26 -4.91 116.55 120.95 1cfc n ASP 95 Ca -0.03 -1.98 -0.03 0.00 -0.53 0.00 0.00 54.79 52.22 1cfc n ASP 95 Cb 0.15 -0.25 -0.01 0.00 -0.64 0.00 0.00 41.12 40.37 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 1.50 0.30 0.01 0.44 0.00 0.16 -4.64 105.19 102.96 1cfc n GLY 96 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.32 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 1.05 0.69 0.00 1.61 5.15 -1.26 -4.97 115.26 117.52 1cfc n ASN 97 Ca -0.03 -0.66 0.00 0.00 -0.60 0.00 0.00 54.58 53.29 1cfc n ASN 97 Cb 0.17 1.24 0.00 0.00 -0.53 0.00 0.00 39.78 40.66 1cfc n ASN 97 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1cfc n GLY 98 N 1.43 0.68 2.93 8.20 0.00 -1.26 -5.07 105.19 112.10 1cfc n GLY 98 Ca 0.02 -0.56 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 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 0.57 0.15 1.61 1.51 -1.26 -3.80 117.35 114.13 1cfc s TYR 99 Ca 0.00 -0.12 -0.02 0.00 -1.01 0.00 0.00 57.07 55.92 1cfc s TYR 99 Cb 0.00 -0.45 -0.04 0.00 -0.11 0.00 0.00 41.96 41.36 1cfc s TYR 99 CO 0.00 -0.08 0.10 0.96 -1.11 0.00 0.00 175.55 175.42 1cfc s ILE 100 N 0.33 0.07 0.27 2.71 -4.36 -1.22 -4.75 121.20 114.26 1cfc s ILE 100 Ca -0.04 -1.89 -0.30 0.00 -0.26 0.00 0.00 60.65 58.17 1cfc s ILE 100 Cb -0.08 -2.16 -0.09 0.00 1.25 0.00 0.00 42.46 41.38 1cfc s ILE 100 CO -0.00 -0.32 1.06 -0.94 0.24 0.00 0.00 174.94 174.99 1cfc s SER 101 N -3.07 7.35 0.43 4.36 1.04 -1.26 -3.03 113.70 119.52 1cfc s SER 101 Ca 0.28 2.20 0.29 0.00 0.48 0.00 0.00 55.95 59.19 1cfc s SER 101 Cb 0.07 -2.62 1.39 0.00 0.10 0.00 0.00 66.02 64.95 1cfc s SER 101 CO 0.05 -0.08 1.64 0.00 0.98 0.00 0.00 173.24 175.83 1cfc h ALA 102 N 3.89 2.68 0.66 5.32 0.00 -1.93 0.26 119.26 130.14 1cfc h ALA 102 Ca -0.46 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1cfc h ALA 102 Cb 1.21 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1cfc h ALA 102 CO 0.67 -1.28 -0.34 0.00 0.00 0.00 0.00 179.25 178.29 1cfc h ALA 103 N 1.60 -0.93 -0.36 0.00 0.00 -1.92 0.45 119.26 118.10 1cfc h ALA 103 Ca 0.79 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.60 1cfc h ALA 103 Cb 2.45 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 20.61 1cfc h ALA 103 CO -0.40 -1.03 0.26 0.93 0.00 0.00 0.00 179.25 179.01 1cfc h GLU 104 N -0.92 0.06 -0.07 0.00 5.08 -0.92 0.37 114.58 118.18 1cfc h GLU 104 Ca -0.09 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1cfc h GLU 104 Cb 0.72 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1cfc h GLU 104 CO 0.13 0.04 -0.16 1.25 -1.00 0.00 0.00 179.01 179.27 1cfc h LEU 105 N 0.06 0.26 -0.76 1.33 5.85 0.03 0.19 115.31 122.28 1cfc h LEU 105 Ca 0.17 -0.58 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 1cfc h LEU 105 Cb 0.61 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1cfc h LEU 105 CO -0.01 0.79 0.37 0.03 -0.34 0.00 0.00 178.44 179.29 1cfc h ARG 106 N -0.26 1.08 -0.55 1.25 3.08 0.10 -1.89 114.38 117.19 1cfc h ARG 106 Ca -0.00 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 1cfc h ARG 106 Cb 0.76 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1cfc h ARG 106 CO 0.04 0.83 0.33 1.25 -1.07 0.00 0.00 179.97 181.35 1cfc h HIS 107 N 1.06 0.73 -0.70 3.04 2.76 -0.19 0.75 115.15 122.60 1cfc h HIS 107 Ca 0.26 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.47 1cfc h HIS 107 Cb 0.10 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 28.78 1cfc h HIS 107 CO 0.01 0.50 0.46 0.28 -1.30 0.00 0.00 177.93 177.88 1cfc h VAL 108 N 0.74 1.08 0.05 5.26 2.07 0.02 0.22 116.25 125.69 1cfc h VAL 108 Ca 0.20 -0.28 -0.23 0.00 0.82 0.00 0.00 66.70 67.21 1cfc h VAL 108 Cb -0.02 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 1cfc h VAL 108 CO -0.04 0.15 -1.04 0.24 0.02 0.00 0.00 177.57 176.90 1cfc h MET 109 N 0.81 0.21 0.11 1.57 2.07 -0.52 -3.15 114.93 116.03 1cfc h MET 109 Ca 0.29 -0.29 -0.26 0.00 -2.07 0.00 0.00 59.70 57.37 1cfc h MET 109 Cb 0.12 0.10 -0.00 0.00 -1.87 0.00 0.00 31.60 29.95 1cfc h MET 109 CO -0.09 1.07 -1.32 1.15 1.07 0.00 0.00 176.91 178.79 1cfc h THR 110 N 0.09 1.09 0.00 2.22 2.02 -0.32 -3.34 112.91 114.67 1cfc h THR 110 Ca -0.07 -2.41 -0.02 0.00 0.77 0.00 0.00 66.41 64.68 1cfc h THR 110 Cb 1.73 2.76 -0.00 0.00 -1.74 0.00 0.00 68.15 70.90 1cfc h THR 110 CO 0.16 0.69 -0.09 -1.13 0.37 0.00 0.00 175.52 175.52 1cfc h ASN 111 N -0.34 0.00 -0.00 4.18 -0.73 -0.73 -1.82 115.58 116.13 1cfc h ASN 111 Ca -0.28 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.89 1cfc h ASN 111 Cb 1.73 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 40.31 1cfc h ASN 111 CO 0.06 0.09 0.00 -0.07 -0.37 0.00 0.00 177.43 177.15 1cfc h LEU 112 N 0.00 0.00 0.00 0.34 3.38 -1.66 -3.45 115.31 113.91 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 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 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 -1.42 1.27 3.79 0.83 0.00 -0.69 -5.06 105.19 103.92 1cfc n GLY 113 Ca -0.03 -0.39 -0.36 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 -2.27 4.46 0.00 1.61 2.02 -1.26 -4.90 118.70 118.36 1cfc s GLU 114 Ca 0.00 1.28 -0.01 0.00 0.02 0.00 0.00 54.97 56.26 1cfc s GLU 114 Cb 0.00 -2.61 -0.06 0.00 0.10 0.00 0.00 34.13 31.56 1cfc s GLU 114 CO 0.00 0.16 2.33 1.63 0.02 0.00 0.00 175.26 179.40 1cfc n LYS 115 N 0.18 1.20 -3.16 1.61 5.02 -1.26 -4.85 118.16 116.91 1cfc n LYS 115 Ca 0.04 -0.21 -0.39 0.00 -2.02 0.00 0.00 58.31 55.73 1cfc n LYS 115 Cb 0.51 -1.22 -0.06 0.00 -0.02 0.00 0.00 35.03 34.24 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 4.53 -0.02 -0.35 0.05 -1.26 -5.07 118.68 116.55 1cfc s LEU 116 Ca 0.14 1.41 -0.02 0.00 0.05 0.00 0.00 54.13 55.71 1cfc s LEU 116 Cb 0.07 -3.12 -0.04 0.00 -2.05 0.00 0.00 46.19 41.05 1cfc s LEU 116 CO 0.00 0.22 0.10 0.42 -0.55 0.00 0.00 176.35 176.54 1cfc s THR 117 N -1.18 4.89 0.60 5.48 -4.23 -1.26 -4.96 115.64 114.99 1cfc s THR 117 Ca 0.33 -0.29 0.28 0.00 -1.18 0.00 0.00 61.69 60.83 1cfc s THR 117 Cb -0.20 -3.22 0.38 0.00 1.34 0.00 0.00 72.50 70.79 1cfc s THR 117 CO 0.22 0.40 1.67 0.44 -0.54 0.00 0.00 174.62 176.81 1cfc h ASP 118 N 4.24 0.00 -0.15 3.99 3.32 -1.99 0.16 116.42 125.98 1cfc h ASP 118 Ca -0.50 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.51 1cfc h ASP 118 Cb 1.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 1cfc h ASP 118 CO 0.62 0.00 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.73 1cfc h GLU 119 N 0.00 0.32 -0.48 3.56 3.07 -1.98 0.13 114.58 119.20 1cfc h GLU 119 Ca 0.30 -0.14 0.02 0.00 -0.50 0.00 0.00 59.36 59.03 1cfc h GLU 119 Cb 1.79 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.66 1cfc h GLU 119 CO -0.00 0.65 0.29 0.93 -1.40 0.00 0.00 179.01 179.48 1cfc h GLU 120 N -0.02 0.57 -0.21 2.33 5.08 -1.08 -2.38 114.58 118.87 1cfc h GLU 120 Ca 0.03 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1cfc h GLU 120 Cb 0.57 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1cfc h GLU 120 CO 0.02 0.37 -0.57 0.28 -1.00 0.00 0.00 179.01 178.12 1cfc h VAL 121 N 0.58 1.31 -0.95 3.13 2.07 -1.52 -2.90 116.25 117.98 1cfc h VAL 121 Ca 0.19 -1.81 0.20 0.00 0.82 0.00 0.00 66.70 66.10 1cfc h VAL 121 Cb 0.00 1.76 -0.08 0.00 -1.52 0.00 0.00 31.29 31.46 1cfc h VAL 121 CO -0.08 0.57 0.61 0.44 0.02 0.00 0.00 177.57 179.13 1cfc h ASP 122 N 0.49 0.53 -0.24 0.57 5.19 -0.24 0.44 116.42 123.17 1cfc h ASP 122 Ca 0.00 0.06 -0.18 0.00 -0.62 0.00 0.00 57.03 56.29 1cfc h ASP 122 Cb 1.14 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.61 1cfc h ASP 122 CO 0.11 0.20 -0.55 -0.33 -3.12 0.00 0.00 179.24 175.56 1cfc h GLU 123 N 0.53 0.83 0.00 3.56 4.39 -1.27 -2.30 114.58 120.32 1cfc h GLU 123 Ca 0.51 -0.53 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 1cfc h GLU 123 Cb 1.10 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 1cfc h GLU 123 CO -0.24 1.16 -0.17 0.52 -1.16 0.00 0.00 179.01 179.12 1cfc h MET 124 N 0.64 0.00 0.00 2.33 2.86 -0.19 -1.77 114.93 118.80 1cfc h MET 124 Ca 0.01 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 1cfc h MET 124 Cb 1.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 1cfc h MET 124 CO 0.12 0.17 -0.58 0.82 1.06 0.00 0.00 176.91 178.50 1cfc h ILE 125 N 0.00 1.05 0.38 -1.22 2.04 -0.20 -2.91 117.51 116.66 1cfc h ILE 125 Ca -0.00 -2.31 -0.02 0.00 1.00 0.00 0.00 64.86 63.53 1cfc h ILE 125 Cb 0.33 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1cfc h ILE 125 CO 0.02 0.56 -0.18 0.03 0.00 0.00 0.00 178.15 178.58 1cfc h ARG 126 N 0.00 -0.50 0.00 2.37 2.47 -0.77 -2.94 114.38 115.02 1cfc h ARG 126 Ca -0.01 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1cfc h ARG 126 Cb 1.35 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.79 1cfc h ARG 126 CO 0.07 -0.30 0.00 0.93 0.56 0.00 0.00 179.97 181.23 1cfc h GLU 127 N -0.56 0.00 -4.38 0.04 5.08 -1.67 -3.37 114.58 109.73 1cfc h GLU 127 Ca -0.05 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.56 1cfc h GLU 127 Cb 0.42 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.49 1cfc h GLU 127 CO 0.09 0.00 1.40 0.00 -1.00 0.00 0.00 179.01 179.49 1cfc n ALA 128 N -1.96 4.22 -0.99 3.43 0.00 -1.10 -4.90 120.51 119.21 1cfc n ALA 128 Ca 0.05 -4.31 -0.02 0.00 0.00 0.00 0.00 53.44 49.16 1cfc n ALA 128 Cb 0.48 -2.98 -0.02 0.00 0.00 0.00 0.00 19.45 16.93 1cfc n ALA 128 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1cfc n ASP 129 N 4.96 -1.88 -0.04 0.00 5.68 -1.26 -4.56 116.55 119.46 1cfc n ASP 129 Ca 0.36 -1.29 0.13 0.00 -0.50 0.00 0.00 54.79 53.50 1cfc n ASP 129 Cb 0.41 -0.57 0.78 0.00 -1.14 0.00 0.00 41.12 40.60 1cfc n ASP 129 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 1cfc n ILE 130 N 4.37 0.01 -2.61 2.12 5.41 -1.26 -4.76 119.36 122.63 1cfc n ILE 130 Ca 0.05 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1cfc n ILE 130 Cb 0.45 -0.36 0.00 0.00 -0.71 0.00 0.00 39.64 39.02 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 -0.84 1.29 0.00 4.38 2.03 -1.26 -4.28 116.55 117.87 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 0.11 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 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 1.34 0.00 0.27 0.00 -1.26 -4.28 105.19 106.27 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 1.34 0.00 0.00 0.00 173.32 174.66 1cfc n ASP 133 N 0.52 0.00 0.00 1.61 -0.08 -1.26 -5.10 116.55 112.24 1cfc n ASP 133 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1cfc n ASP 133 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1cfc n ASP 133 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1cfc n GLY 134 N 1.80 2.31 3.88 0.27 0.00 -1.26 -5.14 105.19 107.05 1cfc n GLY 134 Ca 0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 2.74 0.00 1.61 -0.21 -1.26 -4.03 119.66 118.51 1cfc s GLN 135 Ca 0.00 -1.31 -0.07 0.00 0.02 0.00 0.00 55.36 54.00 1cfc s GLN 135 Cb 0.00 -2.52 0.00 0.00 1.00 0.00 0.00 33.01 31.50 1cfc s GLN 135 CO 0.00 0.01 0.14 0.08 -2.12 0.00 0.00 175.29 173.40 1cfc s VAL 136 N -2.33 0.08 -1.20 1.09 1.01 -1.17 -4.94 120.40 112.94 1cfc s VAL 136 Ca 0.44 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.56 1cfc s VAL 136 Cb -0.06 -0.43 0.05 0.00 0.00 0.00 0.00 36.38 35.94 1cfc s VAL 136 CO 0.28 -0.36 1.68 0.54 0.00 0.00 0.00 175.10 177.24 1cfc s ASN 137 N -1.32 6.52 0.62 3.32 2.20 -1.26 -3.39 114.94 121.63 1cfc s ASN 137 Ca -0.14 -2.04 0.00 0.00 -0.94 0.00 0.00 52.86 49.74 1cfc s ASN 137 Cb -0.07 -2.58 0.00 0.00 -2.00 0.00 0.00 41.25 36.60 1cfc s ASN 137 CO 0.02 -1.49 0.94 0.00 -2.94 0.00 0.00 177.10 173.63 1cfc n TYR 138 N 9.27 0.00 -0.35 1.54 4.11 -1.25 -0.59 117.16 129.89 1cfc n TYR 138 Ca 0.44 0.00 0.07 0.00 -0.00 0.00 0.00 57.90 58.41 1cfc n TYR 138 Cb 0.47 0.00 0.23 0.00 -0.00 0.00 0.00 39.34 40.05 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 0.90 -0.23 -3.48 4.81 -1.87 0.40 114.58 115.11 1cfc h GLU 139 Ca 0.00 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.01 1cfc h GLU 139 Cb 1.89 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 31.07 1cfc h GLU 139 CO 0.00 0.60 -0.49 1.49 -0.73 0.00 0.00 179.01 179.88 1cfc h GLU 140 N 0.93 0.74 -0.13 1.92 4.81 -1.26 -3.03 114.58 118.57 1cfc h GLU 140 Ca 0.49 -0.49 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1cfc h GLU 140 Cb 0.51 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1cfc h GLU 140 CO -0.28 1.11 -0.22 0.74 -0.73 0.00 0.00 179.01 179.64 1cfc h PHE 141 N 0.47 0.23 -0.85 0.92 0.04 -1.34 -2.67 116.94 113.74 1cfc h PHE 141 Ca 0.01 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 1cfc h PHE 141 Cb 1.09 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 39.14 1cfc h PHE 141 CO 0.08 0.42 0.42 0.28 -0.60 0.00 0.00 178.31 178.92 1cfc h VAL 142 N 0.20 1.26 0.00 -0.55 2.07 -0.14 -2.07 116.25 117.01 1cfc h VAL 142 Ca 0.04 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 1cfc h VAL 142 Cb 0.50 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1cfc h VAL 142 CO 0.03 0.31 -0.26 1.56 0.02 0.00 0.00 177.57 179.23 1cfc h GLN 143 N 1.21 0.00 -0.24 1.57 1.08 -1.42 -3.18 115.11 114.13 1cfc h GLN 143 Ca 0.29 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.30 1cfc h GLN 143 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1cfc h GLN 143 CO -0.04 0.26 -0.63 0.52 -0.95 0.00 0.00 178.83 177.99 1cfc h MET 144 N 0.00 0.84 0.00 1.46 2.86 -1.14 -2.41 114.93 116.53 1cfc h MET 144 Ca -0.00 -0.58 -0.01 0.00 -2.06 0.00 0.00 59.70 57.05 1cfc h MET 144 Cb 0.90 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.65 1cfc h MET 144 CO 0.03 1.20 -0.06 0.52 1.06 0.00 0.00 176.91 179.67 1cfc h MET 145 N 0.62 0.00 0.00 1.72 2.86 -1.46 -3.30 114.93 115.37 1cfc h MET 145 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1cfc h MET 145 Cb 1.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.90 1cfc h MET 145 CO 0.13 0.06 0.00 0.25 1.06 0.00 0.00 176.91 178.41 1cfc n THR 146 N -3.28 0.00 0.00 2.22 -2.24 -1.10 -5.03 114.28 104.85 1cfc n THR 146 Ca -0.01 0.44 0.00 0.00 -2.27 0.00 0.00 64.05 62.21 1cfc n THR 146 Cb 0.24 -1.34 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 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 -1.90 0.00 0.00 6.98 0.00 -0.93 -5.05 120.51 119.61 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