#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cdl n GLU 6 N 0.00 -0.14 0.24 -2.82 4.07 -1.26 -0.89 120.64 119.85 1cdl n GLU 6 Ca 0.00 1.36 -0.17 0.00 -0.06 0.00 0.00 57.16 58.30 1cdl n GLU 6 Cb 0.00 -2.03 -0.08 0.00 -0.06 0.00 0.00 31.44 29.27 1cdl n GLU 6 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1cdl h GLU 7 N 0.00 -0.81 -0.72 5.31 4.39 -2.05 0.54 114.58 121.24 1cdl h GLU 7 Ca 0.37 0.06 0.16 0.00 0.34 0.00 0.00 59.36 60.28 1cdl h GLU 7 Cb 0.59 0.18 -0.11 0.00 -0.10 0.00 0.00 28.75 29.31 1cdl h GLU 7 CO -0.89 -0.54 0.14 1.96 -1.16 0.00 0.00 179.01 178.52 1cdl h GLN 8 N -0.84 0.23 0.15 2.33 7.50 -1.45 0.13 115.11 123.16 1cdl h GLN 8 Ca -0.03 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.10 1cdl h GLN 8 Cb 0.76 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.22 1cdl h GLN 8 CO -0.08 0.15 -0.13 0.82 -1.50 0.00 0.00 178.83 178.08 1cdl h ILE 9 N 0.23 0.70 -0.57 2.54 1.08 -0.75 -0.63 117.51 120.12 1cdl h ILE 9 Ca 0.40 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 65.00 1cdl h ILE 9 Cb 0.69 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 35.11 1cdl h ILE 9 CO -0.52 0.00 0.39 0.00 -0.69 0.00 0.00 178.15 177.33 1cdl h ALA 10 N 0.52 2.27 -0.05 1.87 0.00 0.14 0.13 119.26 124.16 1cdl h ALA 10 Ca -0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1cdl h ALA 10 Cb 0.28 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1cdl h ALA 10 CO -0.02 -0.42 -0.43 0.93 0.00 0.00 0.00 179.25 179.31 1cdl h GLU 11 N 0.19 0.37 0.00 0.00 5.08 -0.02 -0.78 114.58 119.42 1cdl h GLU 11 Ca 0.27 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1cdl h GLU 11 Cb 0.81 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 1cdl h GLU 11 CO -0.05 1.00 -0.08 0.74 -1.00 0.00 0.00 179.01 179.62 1cdl h PHE 12 N -0.14 0.00 0.11 4.33 -1.00 0.07 0.65 116.94 120.97 1cdl h PHE 12 Ca -0.04 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.73 1cdl h PHE 12 Cb 1.11 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.67 1cdl h PHE 12 CO 0.14 0.08 -0.05 -0.22 -1.61 0.00 0.00 178.31 176.64 1cdl h LYS 13 N 0.00 -0.14 -0.58 1.51 1.63 -0.61 0.25 116.57 118.63 1cdl h LYS 13 Ca -0.00 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.77 1cdl h LYS 13 Cb 0.16 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.79 1cdl h LYS 13 CO 0.01 0.18 0.21 0.93 -3.45 0.00 0.00 179.45 177.33 1cdl h GLU 14 N -0.48 0.84 -0.09 1.90 5.08 0.10 -1.47 114.58 120.47 1cdl h GLU 14 Ca -0.02 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.10 1cdl h GLU 14 Cb 0.39 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1cdl h GLU 14 CO 0.03 0.70 -0.44 0.00 -1.00 0.00 0.00 179.01 178.30 1cdl h ALA 15 N 1.41 1.10 -0.11 3.43 0.00 0.39 -2.57 119.26 122.91 1cdl h ALA 15 Ca 0.19 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1cdl h ALA 15 Cb 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1cdl h ALA 15 CO -0.02 0.60 0.03 0.35 0.00 0.00 0.00 179.25 180.22 1cdl h PHE 16 N 0.17 0.18 0.00 0.00 3.04 0.01 -2.35 116.94 117.98 1cdl h PHE 16 Ca 0.01 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1cdl h PHE 16 Cb 0.85 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.31 1cdl h PHE 16 CO 0.01 0.34 0.22 0.77 -2.02 0.00 0.00 178.31 177.62 1cdl h SER 17 N -0.03 0.00 0.53 0.41 0.02 -0.90 0.57 113.55 114.15 1cdl h SER 17 Ca 0.03 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.83 1cdl h SER 17 Cb 0.25 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1cdl h SER 17 CO 0.00 0.00 -0.67 -0.07 -1.14 0.00 0.00 176.83 174.95 1cdl h LEU 18 N 0.00 0.14 0.12 5.07 4.07 -1.24 -3.24 115.31 120.24 1cdl h LEU 18 Ca 0.00 -0.09 -0.29 0.00 0.08 0.00 0.00 57.88 57.58 1cdl h LEU 18 Cb 0.43 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.13 1cdl h LEU 18 CO 0.00 0.77 -1.50 -0.26 -1.08 0.00 0.00 178.44 176.37 1cdl h PHE 19 N 0.08 0.47 -0.05 1.13 0.04 0.00 -3.40 116.94 115.22 1cdl h PHE 19 Ca -0.01 -0.35 -0.69 0.00 2.80 0.00 0.00 57.97 59.72 1cdl h PHE 19 Cb 1.19 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 39.29 1cdl h PHE 19 CO 0.01 1.59 2.90 -3.47 -0.60 0.00 0.00 178.31 178.74 1cdl n ASP 20 N -3.86 3.66 -0.13 2.17 2.03 0.13 -4.73 116.55 115.83 1cdl n ASP 20 Ca -0.26 -2.81 0.03 0.00 0.52 0.00 0.00 54.79 52.27 1cdl n ASP 20 Cb 0.93 -1.56 0.34 0.00 -0.72 0.00 0.00 41.12 40.11 1cdl n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1cdl h LYS 21 N 6.50 0.76 0.00 -0.67 1.57 -1.79 -2.35 116.57 120.60 1cdl h LYS 21 Ca 0.53 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1cdl h LYS 21 Cb 0.66 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1cdl h LYS 21 CO 1.87 0.50 -0.10 0.38 -0.57 0.00 0.00 179.45 181.54 1cdl h ASP 22 N 0.78 0.00 -0.01 0.86 2.03 -1.92 -3.47 116.42 114.69 1cdl h ASP 22 Ca 0.23 -0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.53 1cdl h ASP 22 Cb -0.02 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.48 1cdl h ASP 22 CO -0.06 0.00 -0.00 0.61 -1.03 0.00 0.00 179.24 178.76 1cdl n GLY 23 N 1.11 0.45 0.27 7.15 0.00 -0.88 -4.90 105.19 108.39 1cdl n GLY 23 Ca 0.04 -0.09 0.16 0.00 0.00 0.00 0.00 46.02 46.12 1cdl n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1cdl h ASP 24 N 0.00 0.00 0.00 1.61 -0.00 -1.92 -3.46 116.42 112.66 1cdl h ASP 24 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1cdl h ASP 24 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.45 1cdl h ASP 24 CO 0.01 0.06 0.00 0.61 -0.00 0.00 0.00 179.24 179.92 1cdl n GLY 25 N -0.03 1.07 3.17 7.15 0.00 -1.26 -5.11 105.19 110.18 1cdl n GLY 25 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1cdl n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cdl s THR 26 N -2.00 0.10 -0.29 2.61 -4.23 -1.26 -4.06 115.64 106.51 1cdl s THR 26 Ca 0.00 -0.85 -0.08 0.00 -1.18 0.00 0.00 61.69 59.58 1cdl s THR 26 Cb 0.00 -0.81 0.00 0.00 1.34 0.00 0.00 72.50 73.03 1cdl s THR 26 CO 0.00 -0.47 0.10 -0.63 -0.54 0.00 0.00 174.62 173.08 1cdl s ILE 27 N -2.30 4.18 0.68 2.99 1.01 0.84 -4.73 121.20 123.87 1cdl s ILE 27 Ca -0.07 -0.56 -0.00 0.00 0.00 0.00 0.00 60.65 60.02 1cdl s ILE 27 Cb -0.02 -3.13 0.10 0.00 0.01 0.00 0.00 42.46 39.42 1cdl s ILE 27 CO -0.03 0.11 0.94 0.42 0.00 0.00 0.00 174.94 176.38 1cdl s THR 28 N 1.54 2.26 0.56 2.92 -4.23 -1.26 -2.06 115.64 115.38 1cdl s THR 28 Ca 0.04 -0.61 0.25 0.00 -1.18 0.00 0.00 61.69 60.18 1cdl s THR 28 Cb -0.17 -2.65 0.33 0.00 1.34 0.00 0.00 72.50 71.35 1cdl s THR 28 CO 0.04 0.00 2.18 0.71 -0.54 0.00 0.00 174.62 177.00 1cdl h THR 29 N -0.38 0.69 0.04 3.99 1.35 -1.93 -2.46 112.91 114.22 1cdl h THR 29 Ca -0.38 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.36 1cdl h THR 29 Cb 1.28 0.96 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 1cdl h THR 29 CO 0.44 0.00 -0.63 0.11 -0.25 0.00 0.00 175.52 175.18 1cdl h LYS 30 N 0.00 0.08 -0.51 4.72 1.57 -1.99 -2.51 116.57 117.93 1cdl h LYS 30 Ca 0.03 -0.13 0.15 0.00 -1.87 0.00 0.00 60.65 58.83 1cdl h LYS 30 Cb 0.15 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1cdl h LYS 30 CO -0.00 1.06 0.45 0.93 -0.57 0.00 0.00 179.45 181.32 1cdl h GLU 31 N -0.81 0.00 0.00 3.15 5.08 -1.83 -0.25 114.58 119.93 1cdl h GLU 31 Ca -0.15 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 1cdl h GLU 31 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1cdl h GLU 31 CO -0.02 0.00 -0.44 1.25 -1.00 0.00 0.00 179.01 178.80 1cdl h LEU 32 N 0.00 0.00 -1.01 1.33 5.85 -1.55 -3.22 115.31 116.72 1cdl h LEU 32 Ca 0.24 -0.82 0.07 0.00 0.84 0.00 0.00 57.88 58.22 1cdl h LEU 32 Cb 1.14 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.10 1cdl h LEU 32 CO -0.00 1.17 0.65 1.23 -0.34 0.00 0.00 178.44 181.14 1cdl h GLY 33 N -1.00 1.54 0.93 3.75 0.00 -0.87 -0.47 103.07 106.96 1cdl h GLY 33 Ca -0.12 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 46.75 1cdl h GLY 33 CO -0.07 0.32 0.11 -0.84 0.00 0.00 0.00 176.54 176.06 1cdl h THR 34 N 1.16 1.01 -0.27 4.70 2.02 -1.22 0.91 112.91 121.22 1cdl h THR 34 Ca 0.44 -0.08 -0.14 0.00 0.77 0.00 0.00 66.41 67.40 1cdl h THR 34 Cb 0.20 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1cdl h THR 34 CO -0.18 0.04 -0.39 -0.37 0.37 0.00 0.00 175.52 174.99 1cdl h VAL 35 N 0.24 1.29 -0.56 3.16 -1.51 -1.42 -1.96 116.25 115.48 1cdl h VAL 35 Ca 0.08 -1.56 -0.07 0.00 -1.23 0.00 0.00 66.70 63.92 1cdl h VAL 35 Cb 0.01 1.51 -0.02 0.00 -2.13 0.00 0.00 31.29 30.65 1cdl h VAL 35 CO -0.05 0.50 0.07 0.24 -1.23 0.00 0.00 177.57 177.10 1cdl h MET 36 N 0.53 0.95 0.00 5.19 2.86 -0.81 -1.97 114.93 121.69 1cdl h MET 36 Ca 0.05 -0.27 -0.07 0.00 -2.06 0.00 0.00 59.70 57.35 1cdl h MET 36 Cb 0.91 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 1cdl h MET 36 CO 0.08 0.92 -0.31 0.00 1.06 0.00 0.00 176.91 178.66 1cdl h ARG 37 N 0.84 0.00 0.00 1.72 3.08 -0.75 -1.07 114.38 118.21 1cdl h ARG 37 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1cdl h ARG 37 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1cdl h ARG 37 CO 0.02 0.31 0.00 0.77 -1.07 0.00 0.00 179.97 180.00 1cdl h SER 38 N 0.00 0.00 -0.45 7.04 0.02 -0.58 -1.65 113.55 117.93 1cdl h SER 38 Ca -0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 1cdl h SER 38 Cb 0.69 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.11 1cdl h SER 38 CO 0.04 0.00 0.06 0.18 -1.14 0.00 0.00 176.83 175.97 1cdl n LEU 39 N -2.55 4.56 -1.86 5.07 4.77 -0.54 -4.90 117.00 121.55 1cdl n LEU 39 Ca 0.01 -3.59 -0.19 0.00 -0.03 0.00 0.00 56.01 52.21 1cdl n LEU 39 Cb 0.22 -0.66 -0.04 0.00 -2.33 0.00 0.00 43.42 40.61 1cdl n LEU 39 CO 0.21 1.10 -0.22 0.61 -1.33 0.00 0.00 177.39 177.76 1cdl n GLY 40 N -0.97 0.50 3.70 -0.72 0.00 -0.62 -5.00 105.19 102.08 1cdl n GLY 40 Ca 0.35 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 1cdl n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cdl s GLN 41 N -4.39 2.83 -0.51 1.61 -0.21 -0.52 -5.00 119.66 113.47 1cdl s GLN 41 Ca 0.00 -0.59 0.03 0.00 0.02 0.00 0.00 55.36 54.82 1cdl s GLN 41 Cb 0.00 -2.70 0.15 0.00 1.00 0.00 0.00 33.01 31.47 1cdl s GLN 41 CO 0.00 0.63 0.34 -0.80 -2.12 0.00 0.00 175.29 173.34 1cdl s ASN 42 N -1.58 3.39 0.10 5.90 -0.87 -1.26 -3.18 114.94 117.45 1cdl s ASN 42 Ca 0.20 -3.09 -0.15 0.00 -1.57 0.00 0.00 52.86 48.25 1cdl s ASN 42 Cb -0.12 -1.04 -0.07 0.00 -0.02 0.00 0.00 41.25 40.01 1cdl s ASN 42 CO 0.11 -0.19 0.52 -2.16 -2.57 0.00 0.00 177.10 172.81 1cdl s PRO 43 N -0.24 4.00 0.80 -0.60 0.04 -1.26 -5.08 135.00 132.65 1cdl s PRO 43 Ca 0.24 0.50 -0.12 0.00 0.04 0.00 0.00 61.00 61.66 1cdl s PRO 43 Cb -0.11 -3.04 0.07 0.00 0.04 0.00 0.00 34.50 31.46 1cdl s PRO 43 CO -0.10 0.55 1.15 0.95 0.04 0.00 0.00 177.00 179.59 1cdl s THR 44 N -1.33 2.38 0.60 1.26 -4.23 -1.26 -4.86 115.64 108.20 1cdl s THR 44 Ca 0.34 0.12 0.30 0.00 -1.18 0.00 0.00 61.69 61.27 1cdl s THR 44 Cb -0.16 -3.09 0.36 0.00 1.34 0.00 0.00 72.50 70.95 1cdl s THR 44 CO 0.18 -0.16 2.15 -0.33 -0.54 0.00 0.00 174.62 175.92 1cdl h GLU 45 N -1.02 0.00 0.40 3.99 4.39 -1.99 -2.59 114.58 117.76 1cdl h GLU 45 Ca -0.46 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.22 1cdl h GLU 45 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1cdl h GLU 45 CO 0.65 0.00 -0.19 0.00 -1.16 0.00 0.00 179.01 178.31 1cdl h ALA 46 N 1.83 -0.54 -0.83 3.43 0.00 -2.00 -2.81 119.26 118.35 1cdl h ALA 46 Ca 0.05 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.95 1cdl h ALA 46 Cb 0.32 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 1cdl h ALA 46 CO -0.00 -0.51 0.45 0.93 0.00 0.00 0.00 179.25 180.12 1cdl h GLU 47 N -1.13 0.69 -0.46 0.00 5.08 -1.89 -0.57 114.58 116.30 1cdl h GLU 47 Ca -0.06 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1cdl h GLU 47 Cb 0.43 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1cdl h GLU 47 CO 0.09 0.46 0.23 1.25 -1.00 0.00 0.00 179.01 180.04 1cdl h LEU 48 N 0.71 0.34 0.26 1.33 5.85 -1.56 0.66 115.31 122.90 1cdl h LEU 48 Ca 0.42 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.15 1cdl h LEU 48 Cb 0.48 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1cdl h LEU 48 CO -0.29 0.24 -0.14 -0.61 -0.34 0.00 0.00 178.44 177.30 1cdl h GLN 49 N 0.47 -0.36 0.00 1.25 5.75 -0.90 -0.21 115.11 121.11 1cdl h GLN 49 Ca 0.20 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 1cdl h GLN 49 Cb 0.10 0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.73 1cdl h GLN 49 CO -0.13 -0.24 0.03 -0.44 -2.65 0.00 0.00 178.83 175.40 1cdl h ASP 50 N -0.37 0.00 -0.01 -0.69 3.32 -0.55 -0.35 116.42 117.77 1cdl h ASP 50 Ca -0.03 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1cdl h ASP 50 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1cdl h ASP 50 CO 0.05 0.00 -0.11 0.24 -1.72 0.00 0.00 179.24 177.69 1cdl h MET 51 N 0.00 0.10 -0.48 3.56 2.86 0.90 -3.18 114.93 118.69 1cdl h MET 51 Ca 0.00 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1cdl h MET 51 Cb 0.07 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 1cdl h MET 51 CO 0.00 0.79 0.28 0.82 1.06 0.00 0.00 176.91 179.86 1cdl h ILE 52 N -0.56 1.03 -0.16 -1.22 1.08 -0.36 -3.25 117.51 114.07 1cdl h ILE 52 Ca -0.01 -0.19 0.02 0.00 -0.39 0.00 0.00 64.86 64.29 1cdl h ILE 52 Cb 0.82 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 34.97 1cdl h ILE 52 CO 0.02 0.10 -0.18 0.78 -0.69 0.00 0.00 178.15 178.19 1cdl h ASN 53 N 0.56 -0.61 -0.49 1.72 2.35 -1.16 0.19 115.58 118.14 1cdl h ASN 53 Ca 0.20 0.08 0.14 0.00 -0.55 0.00 0.00 56.30 56.17 1cdl h ASN 53 Cb 0.04 0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 1cdl h ASN 53 CO -0.10 -0.12 0.50 1.05 -1.65 0.00 0.00 177.43 177.11 1cdl h GLU 54 N -0.10 0.00 0.00 0.81 4.11 -1.58 -0.46 114.58 117.36 1cdl h GLU 54 Ca 0.03 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.31 1cdl h GLU 54 Cb 0.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1cdl h GLU 54 CO -0.21 0.00 -1.94 0.28 0.07 0.00 0.00 179.01 177.21 1cdl n VAL 55 N -3.76 0.72 -2.35 -1.06 0.31 -0.85 -4.81 118.33 106.53 1cdl n VAL 55 Ca 0.09 -0.66 -0.36 0.00 -0.01 0.00 0.00 64.34 63.41 1cdl n VAL 55 Cb 0.70 -0.32 -0.03 0.00 -0.91 0.00 0.00 33.84 33.28 1cdl n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1cdl s ASP 56 N -5.13 5.99 -0.01 4.52 3.68 0.60 -4.84 116.67 121.47 1cdl s ASP 56 Ca -0.07 -1.48 -0.22 0.00 2.13 0.00 0.00 52.55 52.90 1cdl s ASP 56 Cb 0.10 -2.57 -0.14 0.00 -1.45 0.00 0.00 42.92 38.86 1cdl s ASP 56 CO 0.86 -2.00 0.98 0.00 0.13 0.00 0.00 175.17 175.14 1cdl h ALA 57 N 9.72 -0.51 0.00 3.66 0.00 -1.87 -3.19 119.26 127.07 1cdl h ALA 57 Ca 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1cdl h ALA 57 Cb 0.97 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1cdl h ALA 57 CO 1.35 -0.56 0.00 -0.40 0.00 0.00 0.00 179.25 179.64 1cdl n ASP 58 N -5.14 0.00 -1.46 0.00 3.85 -1.26 -4.84 116.55 107.70 1cdl n ASP 58 Ca -0.09 0.06 -0.15 0.00 -0.71 0.00 0.00 54.79 53.91 1cdl n ASP 58 Cb 0.27 -0.20 -0.03 0.00 -1.35 0.00 0.00 41.12 39.81 1cdl n ASP 58 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1cdl n GLY 59 N -0.65 0.56 0.23 6.12 0.00 -1.21 -4.90 105.19 105.34 1cdl n GLY 59 Ca 0.04 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.90 1cdl n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1cdl h ASN 60 N 0.00 0.00 0.00 1.61 -1.07 -1.88 -3.47 115.58 110.77 1cdl h ASN 60 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.04 1cdl h ASN 60 Cb 1.13 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.38 1cdl h ASN 60 CO 0.43 0.13 0.00 0.61 0.07 0.00 0.00 177.43 178.68 1cdl n GLY 61 N 0.33 0.70 3.00 9.14 0.00 -1.26 -5.04 105.19 112.06 1cdl n GLY 61 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 1cdl n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cdl s THR 62 N -2.19 0.52 0.19 2.61 -4.23 -1.26 -4.70 115.64 106.57 1cdl s THR 62 Ca 0.00 -0.48 -0.30 0.00 -1.18 0.00 0.00 61.69 59.73 1cdl s THR 62 Cb 0.00 -0.47 -0.08 0.00 1.34 0.00 0.00 72.50 73.29 1cdl s THR 62 CO 0.00 0.01 1.03 -0.63 -0.54 0.00 0.00 174.62 174.48 1cdl s ILE 63 N -0.46 4.02 0.53 2.99 1.01 -0.88 -4.83 121.20 123.59 1cdl s ILE 63 Ca -0.01 1.83 0.01 0.00 0.00 0.00 0.00 60.65 62.49 1cdl s ILE 63 Cb -0.04 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1cdl s ILE 63 CO -0.00 0.35 0.07 1.51 0.00 0.00 0.00 174.94 176.87 1cdl s ASP 64 N -0.45 4.24 0.08 3.58 3.84 -1.26 -0.11 116.67 126.59 1cdl s ASP 64 Ca 0.46 -1.62 -0.28 0.00 -0.00 0.00 0.00 52.55 51.10 1cdl s ASP 64 Cb -0.27 0.62 -0.16 0.00 -1.38 0.00 0.00 42.92 41.73 1cdl s ASP 64 CO 0.34 -0.95 1.67 0.15 -0.00 0.00 0.00 175.17 176.38 1cdl h PHE 65 N 1.19 -0.52 -0.73 2.11 -0.00 -1.98 0.11 116.94 117.13 1cdl h PHE 65 Ca -0.43 -0.01 0.15 0.00 -0.00 0.00 0.00 57.97 57.68 1cdl h PHE 65 Cb 1.32 0.18 -0.10 0.00 -0.00 0.00 0.00 35.95 37.35 1cdl h PHE 65 CO 1.53 -0.32 0.23 -1.35 -0.00 0.00 0.00 178.31 178.41 1cdl h PRO 66 N -0.52 0.34 0.00 6.41 0.11 -1.97 0.38 132.00 136.74 1cdl h PRO 66 Ca -0.04 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.99 1cdl h PRO 66 Cb 0.42 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1cdl h PRO 66 CO 0.05 0.22 -0.29 0.93 -0.21 0.00 0.00 178.00 178.70 1cdl h GLU 67 N 0.35 0.00 0.00 1.05 5.08 -1.82 -2.01 114.58 117.23 1cdl h GLU 67 Ca 0.41 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.74 1cdl h GLU 67 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1cdl h GLU 67 CO -0.45 0.29 -0.12 0.35 -1.00 0.00 0.00 179.01 178.08 1cdl h PHE 68 N 0.00 0.12 -0.44 4.33 3.57 0.17 -2.91 116.94 121.78 1cdl h PHE 68 Ca -0.00 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.47 1cdl h PHE 68 Cb 0.55 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1cdl h PHE 68 CO 0.00 0.88 0.29 1.25 -2.23 0.00 0.00 178.31 178.50 1cdl h LEU 69 N -0.67 0.39 -0.06 0.59 5.85 -0.27 0.15 115.31 121.28 1cdl h LEU 69 Ca -0.02 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1cdl h LEU 69 Cb 0.91 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 1cdl h LEU 69 CO 0.02 0.27 -0.02 0.74 -0.34 0.00 0.00 178.44 179.11 1cdl h THR 70 N 0.45 1.31 -0.61 1.05 2.02 -1.40 0.46 112.91 116.19 1cdl h THR 70 Ca 0.18 -0.97 -0.07 0.00 0.77 0.00 0.00 66.41 66.33 1cdl h THR 70 Cb 0.16 1.82 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 1cdl h THR 70 CO -0.04 0.27 0.11 -0.03 0.37 0.00 0.00 175.52 176.19 1cdl h MET 71 N -0.23 0.98 -0.10 6.66 1.85 -1.16 -1.43 114.93 121.49 1cdl h MET 71 Ca 0.02 -0.24 -0.05 0.00 -0.61 0.00 0.00 59.70 58.82 1cdl h MET 71 Cb 0.43 -0.13 -0.00 0.00 0.43 0.00 0.00 31.60 32.33 1cdl h MET 71 CO 0.01 0.89 -0.13 0.52 -0.40 0.00 0.00 176.91 177.80 1cdl h MET 72 N 0.92 0.27 0.00 0.39 2.07 -0.63 -2.88 114.93 115.07 1cdl h MET 72 Ca 0.19 -0.15 0.00 0.00 -2.07 0.00 0.00 59.70 57.67 1cdl h MET 72 Cb 0.38 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.13 1cdl h MET 72 CO 0.01 0.71 0.00 0.00 1.07 0.00 0.00 176.91 178.70 1cdl n ALA 73 N -2.42 2.25 -1.63 6.32 0.00 0.16 -4.84 120.51 120.35 1cdl n ALA 73 Ca -0.07 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.83 1cdl n ALA 73 Cb 0.36 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.47 1cdl n ALA 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1cdl n ARG 74 N -1.09 1.46 -3.31 0.00 3.00 -0.55 -4.95 116.66 111.22 1cdl n ARG 74 Ca 0.14 0.52 -0.38 0.00 -0.00 0.00 0.00 57.85 58.13 1cdl n ARG 74 Cb 0.10 -2.13 -0.06 0.00 0.00 0.00 0.00 32.46 30.37 1cdl n ARG 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1cdl s LYS 75 N -2.12 4.22 0.16 -0.14 -2.85 -1.26 -5.06 119.74 112.69 1cdl s LYS 75 Ca 0.64 0.60 0.06 0.00 -1.00 0.00 0.00 55.97 56.26 1cdl s LYS 75 Cb -0.54 -3.32 -0.04 0.00 -2.06 0.00 0.00 37.83 31.87 1cdl s LYS 75 CO 0.56 0.43 -0.12 -1.64 0.10 0.00 0.00 175.35 174.69 1cdl s MET 76 N -0.34 1.14 0.46 1.78 -1.94 -1.26 -5.12 119.30 114.02 1cdl s MET 76 Ca 0.28 -1.47 -0.24 0.00 -1.71 0.00 0.00 55.69 52.55 1cdl s MET 76 Cb -0.17 -0.82 -0.07 0.00 2.01 0.00 0.00 34.83 35.77 1cdl s MET 76 CO 0.15 0.12 1.34 0.15 -0.01 0.00 0.00 175.02 176.77 1cdl s LYS 77 N -3.58 3.63 0.40 2.03 3.01 -1.26 -4.77 119.74 119.20 1cdl s LYS 77 Ca 0.18 2.22 0.19 0.00 -1.01 0.00 0.00 55.97 57.54 1cdl s LYS 77 Cb 0.01 -2.55 1.13 0.00 -1.01 0.00 0.00 37.83 35.41 1cdl s LYS 77 CO 0.03 -0.79 1.75 0.38 0.51 0.00 0.00 175.35 177.23 1cdl h ASP 78 N 2.17 0.43 0.37 2.83 3.04 -2.00 0.41 116.42 123.67 1cdl h ASP 78 Ca -0.50 0.09 -0.02 0.00 -3.24 0.00 0.00 57.03 53.36 1cdl h ASP 78 Cb 1.27 0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.59 1cdl h ASP 78 CO 0.60 0.06 -0.18 0.71 -2.04 0.00 0.00 179.24 178.39 1cdl h THR 79 N 0.36 0.63 -0.92 1.15 1.35 -2.00 -2.01 112.91 111.49 1cdl h THR 79 Ca 0.62 -0.38 0.19 0.00 -0.55 0.00 0.00 66.41 66.29 1cdl h THR 79 Cb 1.61 0.82 -0.11 0.00 -1.73 0.00 0.00 68.15 68.74 1cdl h THR 79 CO -0.32 0.07 0.49 0.44 -0.25 0.00 0.00 175.52 175.95 1cdl h ASP 80 N -0.71 0.55 0.79 5.36 3.32 -0.60 0.15 116.42 125.27 1cdl h ASP 80 Ca -0.05 0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1cdl h ASP 80 Cb 0.50 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1cdl h ASP 80 CO 0.08 0.15 -0.44 0.28 -1.72 0.00 0.00 179.24 177.59 1cdl h SER 81 N 0.59 -1.10 -0.89 6.45 0.02 -0.83 0.20 113.55 117.99 1cdl h SER 81 Ca 0.54 0.05 0.21 0.00 -0.84 0.00 0.00 61.79 61.76 1cdl h SER 81 Cb 0.91 0.31 -0.12 0.00 0.14 0.00 0.00 62.40 63.64 1cdl h SER 81 CO -0.43 -0.70 0.40 -0.33 -1.14 0.00 0.00 176.83 174.62 1cdl h GLU 82 N -1.14 0.42 -0.63 3.45 4.39 -0.50 0.61 114.58 121.18 1cdl h GLU 82 Ca -0.11 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.50 1cdl h GLU 82 Cb 0.90 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.43 1cdl h GLU 82 CO 0.13 0.28 0.13 1.49 -1.16 0.00 0.00 179.01 179.88 1cdl h GLU 83 N 0.43 1.03 0.71 2.33 4.57 -0.69 0.87 114.58 123.83 1cdl h GLU 83 Ca 0.54 -0.26 -0.03 0.00 -1.18 0.00 0.00 59.36 58.43 1cdl h GLU 83 Cb 1.00 -0.13 0.01 0.00 -0.16 0.00 0.00 28.75 29.47 1cdl h GLU 83 CO -0.50 0.94 -0.34 1.49 -1.18 0.00 0.00 179.01 179.42 1cdl h GLU 84 N 0.94 -0.92 -0.71 1.92 4.81 0.32 -0.95 114.58 119.99 1cdl h GLU 84 Ca 0.19 0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.52 1cdl h GLU 84 Cb 0.39 0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 1cdl h GLU 84 CO 0.01 -0.59 0.44 0.82 -0.73 0.00 0.00 179.01 178.96 1cdl h ILE 85 N -1.04 1.09 -0.79 2.32 2.04 -0.51 -0.61 117.51 120.02 1cdl h ILE 85 Ca -0.10 -0.30 0.07 0.00 1.00 0.00 0.00 64.86 65.53 1cdl h ILE 85 Cb 0.75 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 1cdl h ILE 85 CO 0.16 0.16 0.52 -0.09 0.00 0.00 0.00 178.15 178.89 1cdl h ARG 86 N 0.87 0.81 -0.01 2.37 2.43 -0.68 0.19 114.38 120.36 1cdl h ARG 86 Ca 0.29 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.21 1cdl h ARG 86 Cb 0.02 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1cdl h ARG 86 CO -0.11 0.53 -0.85 0.93 -1.51 0.00 0.00 179.97 178.97 1cdl h GLU 87 N 0.83 0.24 -0.69 0.20 4.39 -0.29 -2.62 114.58 116.65 1cdl h GLU 87 Ca 0.34 -0.25 -0.07 0.00 0.34 0.00 0.00 59.36 59.72 1cdl h GLU 87 Cb 0.27 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 1cdl h GLU 87 CO -0.12 0.95 0.14 0.00 -1.16 0.00 0.00 179.01 178.82 1cdl h ALA 88 N 0.96 0.95 0.00 3.43 0.00 0.15 -2.97 119.26 121.78 1cdl h ALA 88 Ca -0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1cdl h ALA 88 Cb 1.46 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1cdl h ALA 88 CO 0.13 0.66 -0.00 0.35 0.00 0.00 0.00 179.25 180.40 1cdl h PHE 89 N 1.05 -0.01 -0.37 0.00 3.57 -0.53 -1.48 116.94 119.17 1cdl h PHE 89 Ca 0.21 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.82 1cdl h PHE 89 Cb 0.40 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1cdl h PHE 89 CO 0.03 0.00 0.43 0.00 -2.23 0.00 0.00 178.31 176.54 1cdl h ARG 90 N -0.01 0.00 -0.15 1.11 2.47 -1.34 0.11 114.38 116.57 1cdl h ARG 90 Ca -0.00 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.51 1cdl h ARG 90 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1cdl h ARG 90 CO 0.00 0.00 -0.73 0.28 0.56 0.00 0.00 179.97 180.08 1cdl h VAL 91 N 0.00 1.31 0.08 2.04 2.07 -1.12 -3.32 116.25 117.31 1cdl h VAL 91 Ca 0.18 -1.99 -0.14 0.00 0.82 0.00 0.00 66.70 65.57 1cdl h VAL 91 Cb 1.03 1.97 0.02 0.00 -1.52 0.00 0.00 31.29 32.78 1cdl h VAL 91 CO -0.00 0.62 -0.60 -0.26 0.02 0.00 0.00 177.57 177.35 1cdl h PHE 92 N 0.48 0.45 0.00 1.57 0.04 -0.81 -3.37 116.94 115.30 1cdl h PHE 92 Ca -0.04 -0.30 -0.68 0.00 2.80 0.00 0.00 57.97 59.75 1cdl h PHE 92 Cb 1.34 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.45 1cdl h PHE 92 CO 0.07 1.20 3.20 -3.47 -0.60 0.00 0.00 178.31 178.71 1cdl n ASP 93 N -4.25 4.93 -0.31 2.17 4.64 -0.11 -4.52 116.55 119.11 1cdl n ASP 93 Ca -0.12 -2.74 0.09 0.00 -1.38 0.00 0.00 54.79 50.64 1cdl n ASP 93 Cb 0.72 -1.55 0.25 0.00 -1.04 0.00 0.00 41.12 39.49 1cdl n ASP 93 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 1cdl h LYS 94 N 5.98 0.61 -0.00 -0.67 3.11 -1.73 0.87 116.57 124.72 1cdl h LYS 94 Ca 0.62 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.43 1cdl h LYS 94 Cb 0.54 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.63 1cdl h LYS 94 CO 1.85 0.40 -0.10 -0.40 -2.81 0.00 0.00 179.45 178.39 1cdl n ASP 95 N -4.87 0.18 -1.02 4.20 3.85 -1.26 -4.93 116.55 112.70 1cdl n ASP 95 Ca 0.19 0.00 -0.13 0.00 -0.71 0.00 0.00 54.79 54.14 1cdl n ASP 95 Cb 0.48 -0.24 -0.06 0.00 -1.35 0.00 0.00 41.12 39.95 1cdl n ASP 95 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1cdl n GLY 96 N 1.40 1.36 0.00 6.12 0.00 0.30 -4.85 105.19 109.53 1cdl n GLY 96 Ca 0.10 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1cdl n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cdl n ASN 97 N -0.64 0.00 0.00 1.61 6.94 -1.26 -4.84 115.26 117.07 1cdl n ASN 97 Ca -0.13 -0.55 0.00 0.00 -0.02 0.00 0.00 54.58 53.87 1cdl n ASN 97 Cb 0.51 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 1cdl n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cdl n GLY 98 N 0.50 0.70 2.93 4.83 0.00 -1.26 -5.05 105.19 107.84 1cdl n GLY 98 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 1cdl n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cdl s TYR 99 N -2.67 0.42 -0.28 1.61 1.51 -1.26 -4.15 117.35 112.53 1cdl s TYR 99 Ca 0.00 -0.08 -0.15 0.00 -1.01 0.00 0.00 57.07 55.83 1cdl s TYR 99 Cb 0.00 -0.31 -0.03 0.00 -0.11 0.00 0.00 41.96 41.51 1cdl s TYR 99 CO 0.00 -0.04 0.40 0.42 -1.11 0.00 0.00 175.55 175.22 1cdl s ILE 100 N 0.11 5.15 0.56 2.71 1.01 0.94 -4.83 121.20 126.85 1cdl s ILE 100 Ca -0.01 0.55 0.02 0.00 0.00 0.00 0.00 60.65 61.21 1cdl s ILE 100 Cb -0.04 -3.74 0.04 0.00 0.01 0.00 0.00 42.46 38.73 1cdl s ILE 100 CO -0.00 0.10 0.78 -0.94 0.00 0.00 0.00 174.94 174.88 1cdl s SER 101 N 1.64 5.21 0.52 3.58 1.04 -1.26 -1.13 113.70 123.30 1cdl s SER 101 Ca 0.16 -0.08 0.34 0.00 0.48 0.00 0.00 55.95 56.85 1cdl s SER 101 Cb -0.16 -0.76 1.67 0.00 0.10 0.00 0.00 66.02 66.87 1cdl s SER 101 CO 0.10 -1.19 2.04 0.00 0.98 0.00 0.00 173.24 175.17 1cdl h ALA 102 N 0.05 1.00 0.03 5.32 0.00 -1.95 -1.86 119.26 121.86 1cdl h ALA 102 Ca -0.41 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.32 1cdl h ALA 102 Cb 1.29 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.10 1cdl h ALA 102 CO 0.50 0.00 -0.70 0.00 0.00 0.00 0.00 179.25 179.06 1cdl h ALA 103 N 2.04 0.04 -0.31 0.00 0.00 -1.98 -2.72 119.26 116.33 1cdl h ALA 103 Ca 0.00 -0.61 -0.15 0.00 0.00 0.00 0.00 54.91 54.15 1cdl h ALA 103 Cb 0.23 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1cdl h ALA 103 CO 0.00 0.39 -0.41 0.93 0.00 0.00 0.00 179.25 180.16 1cdl h GLU 104 N -0.10 0.83 -0.82 0.00 5.08 -1.65 0.72 114.58 118.63 1cdl h GLU 104 Ca -0.10 -0.47 -0.03 0.00 -1.00 0.00 0.00 59.36 57.76 1cdl h GLU 104 Cb 1.43 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.67 1cdl h GLU 104 CO 0.14 1.11 0.39 1.25 -1.00 0.00 0.00 179.01 180.90 1cdl h LEU 105 N 0.60 1.07 -0.05 1.33 5.85 -1.53 0.49 115.31 123.07 1cdl h LEU 105 Ca 0.04 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1cdl h LEU 105 Cb 1.00 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 1cdl h LEU 105 CO 0.10 0.90 0.03 -0.09 -0.34 0.00 0.00 178.44 179.04 1cdl h ARG 106 N 1.17 0.07 -0.45 1.25 9.65 -1.30 -0.22 114.38 124.56 1cdl h ARG 106 Ca 0.28 -0.01 0.09 0.00 -1.10 0.00 0.00 59.98 59.24 1cdl h ARG 106 Cb 0.12 -0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 28.59 1cdl h ARG 106 CO -0.04 0.16 -0.23 1.25 2.80 0.00 0.00 179.97 183.92 1cdl h HIS 107 N -0.03 -0.58 0.97 2.20 2.76 0.09 -1.19 115.15 119.38 1cdl h HIS 107 Ca 0.02 0.05 -0.05 0.00 -2.20 0.00 0.00 60.37 58.19 1cdl h HIS 107 Cb 0.11 0.32 0.01 0.00 1.55 0.00 0.00 27.41 29.39 1cdl h HIS 107 CO -0.04 -0.31 -0.49 0.28 -1.30 0.00 0.00 177.93 176.08 1cdl h VAL 108 N -0.14 0.00 -0.28 5.26 2.07 -0.59 -2.12 116.25 120.47 1cdl h VAL 108 Ca 0.21 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.79 1cdl h VAL 108 Cb 0.46 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 1cdl h VAL 108 CO -0.53 0.00 -0.14 0.24 0.02 0.00 0.00 177.57 177.16 1cdl h MET 109 N -1.33 -0.09 -0.79 1.57 2.07 -0.81 -0.18 114.93 115.37 1cdl h MET 109 Ca -0.13 0.01 -0.01 0.00 -2.07 0.00 0.00 59.70 57.50 1cdl h MET 109 Cb 1.03 0.02 -0.04 0.00 -1.87 0.00 0.00 31.60 30.74 1cdl h MET 109 CO 0.21 -0.06 0.46 1.79 1.07 0.00 0.00 176.91 180.37 1cdl h THR 110 N -0.10 1.23 0.00 2.22 1.35 -1.27 -1.18 112.91 115.15 1cdl h THR 110 Ca 0.15 -0.51 -0.02 0.00 -0.55 0.00 0.00 66.41 65.47 1cdl h THR 110 Cb 0.32 0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 66.88 1cdl h THR 110 CO -0.34 0.24 -0.11 0.78 -0.25 0.00 0.00 175.52 175.84 1cdl h ASN 111 N 1.08 0.00 -0.18 5.36 -0.26 -0.62 0.98 115.58 121.94 1cdl h ASN 111 Ca 0.28 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.02 1cdl h ASN 111 Cb -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 1cdl h ASN 111 CO -0.05 0.11 0.00 0.18 -1.06 0.00 0.00 177.43 176.61 1cdl n LEU 112 N -4.06 1.21 0.00 1.61 4.32 -0.16 -4.88 117.00 115.04 1cdl n LEU 112 Ca -0.02 -0.56 0.00 0.00 -0.02 0.00 0.00 56.01 55.41 1cdl n LEU 112 Cb 0.20 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 41.88 1cdl n LEU 112 CO 0.33 0.28 0.00 0.61 -1.22 0.00 0.00 177.39 177.39 1cdl n GLY 113 N 0.95 1.80 3.37 -0.72 0.00 0.34 -4.91 105.19 106.02 1cdl n GLY 113 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 1cdl n GLY 113 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1cdl s GLU 114 N -0.12 3.94 0.21 1.61 -1.05 -0.53 -4.97 118.70 117.80 1cdl s GLU 114 Ca 0.00 -2.71 -0.13 0.00 -0.15 0.00 0.00 54.97 51.98 1cdl s GLU 114 Cb 0.00 -4.66 -0.07 0.00 -0.44 0.00 0.00 34.13 28.96 1cdl s GLU 114 CO 0.00 -1.42 0.59 0.15 0.95 0.00 0.00 175.26 175.53 1cdl s LYS 115 N 0.14 3.93 0.25 -4.83 -0.14 -1.26 -3.58 119.74 114.25 1cdl s LYS 115 Ca 0.29 0.45 -0.22 0.00 -1.36 0.00 0.00 55.97 55.14 1cdl s LYS 115 Cb -0.08 -2.73 0.03 0.00 -1.68 0.00 0.00 37.83 33.37 1cdl s LYS 115 CO -0.07 0.36 0.75 -0.48 -0.76 0.00 0.00 175.35 175.15 1cdl s LEU 116 N -2.47 -0.27 0.43 3.17 2.34 -1.26 -5.04 118.68 115.58 1cdl s LEU 116 Ca 0.45 -0.53 -0.26 0.00 0.06 0.00 0.00 54.13 53.85 1cdl s LEU 116 Cb -0.13 2.62 -0.09 0.00 -0.56 0.00 0.00 46.19 48.04 1cdl s LEU 116 CO 0.20 -1.24 1.40 0.28 -1.06 0.00 0.00 176.35 175.93 1cdl s THR 117 N -3.80 2.20 0.29 5.48 -1.32 -1.26 -4.85 115.64 112.38 1cdl s THR 117 Ca 0.10 0.18 0.03 0.00 -1.21 0.00 0.00 61.69 60.80 1cdl s THR 117 Cb -0.05 -3.11 0.28 0.00 -1.51 0.00 0.00 72.50 68.11 1cdl s THR 117 CO 0.05 0.03 1.77 0.44 -2.21 0.00 0.00 174.62 174.69 1cdl h ASP 118 N 2.51 0.66 -0.99 8.08 3.32 -2.01 0.12 116.42 128.11 1cdl h ASP 118 Ca -0.51 0.10 0.11 0.00 0.02 0.00 0.00 57.03 56.76 1cdl h ASP 118 Cb 1.26 -0.01 -0.08 0.00 0.22 0.00 0.00 39.33 40.71 1cdl h ASP 118 CO 0.62 0.24 0.62 -0.08 -1.72 0.00 0.00 179.24 178.92 1cdl h GLU 119 N 0.69 0.97 -0.24 3.56 4.57 -1.98 0.34 114.58 122.48 1cdl h GLU 119 Ca 0.54 -0.06 -0.15 0.00 -1.18 0.00 0.00 59.36 58.51 1cdl h GLU 119 Cb 0.82 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1cdl h GLU 119 CO -0.39 0.64 -0.47 1.49 -1.18 0.00 0.00 179.01 179.11 1cdl h GLU 120 N 1.00 0.62 -0.49 1.92 4.57 -1.14 0.44 114.58 121.50 1cdl h GLU 120 Ca 0.48 -0.35 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 1cdl h GLU 120 Cb 0.45 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 1cdl h GLU 120 CO -0.26 0.96 0.24 0.28 -1.18 0.00 0.00 179.01 179.05 1cdl h VAL 121 N 0.50 1.19 -0.33 0.32 2.07 -0.05 0.14 116.25 120.09 1cdl h VAL 121 Ca 0.03 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1cdl h VAL 121 Cb 1.00 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1cdl h VAL 121 CO 0.09 0.20 0.05 0.44 0.02 0.00 0.00 177.57 178.38 1cdl h ASP 122 N 0.64 0.52 -0.42 0.57 3.45 -0.29 -2.01 116.42 118.88 1cdl h ASP 122 Ca 0.17 -0.26 0.09 0.00 0.43 0.00 0.00 57.03 57.46 1cdl h ASP 122 Cb 0.10 -0.14 -0.09 0.00 -0.56 0.00 0.00 39.33 38.65 1cdl h ASP 122 CO -0.02 0.65 -0.17 -0.08 -1.57 0.00 0.00 179.24 178.05 1cdl h GLU 123 N 0.37 -0.07 -0.56 3.56 4.81 0.59 0.17 114.58 123.45 1cdl h GLU 123 Ca 0.10 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 1cdl h GLU 123 Cb 0.35 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1cdl h GLU 123 CO 0.01 -0.05 0.31 0.52 -0.73 0.00 0.00 179.01 179.06 1cdl h MET 124 N -0.08 0.58 -0.60 1.92 2.86 -0.44 0.13 114.93 119.29 1cdl h MET 124 Ca 0.21 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.83 1cdl h MET 124 Cb 0.39 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1cdl h MET 124 CO -0.48 0.38 0.39 0.82 1.06 0.00 0.00 176.91 179.08 1cdl h ILE 125 N 0.59 1.11 -0.39 -1.22 1.08 -0.43 -1.42 117.51 116.84 1cdl h ILE 125 Ca 0.24 -0.27 0.04 0.00 -0.39 0.00 0.00 64.86 64.48 1cdl h ILE 125 Cb 0.10 0.27 -0.04 0.00 -3.07 0.00 0.00 36.82 34.09 1cdl h ILE 125 CO -0.14 0.14 0.17 -0.09 -0.69 0.00 0.00 178.15 177.54 1cdl h ARG 126 N 0.77 0.34 -0.54 2.37 9.65 0.71 0.27 114.38 127.96 1cdl h ARG 126 Ca 0.23 -0.02 0.09 0.00 -1.10 0.00 0.00 59.98 59.18 1cdl h ARG 126 Cb -0.04 -0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 28.39 1cdl h ARG 126 CO -0.07 0.23 0.14 0.93 2.80 0.00 0.00 179.97 184.00 1cdl h GLU 127 N 0.35 0.28 0.00 0.20 5.08 0.01 -2.66 114.58 117.85 1cdl h GLU 127 Ca 0.17 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1cdl h GLU 127 Cb 0.11 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1cdl h GLU 127 CO -0.14 0.19 -0.39 0.00 -1.00 0.00 0.00 179.01 177.66 1cdl n ALA 128 N -2.51 3.21 -2.70 3.43 0.00 -0.61 -4.80 120.51 116.53 1cdl n ALA 128 Ca 0.07 -0.28 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 1cdl n ALA 128 Cb 0.26 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 1cdl n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1cdl s ASP 129 N -3.12 6.31 -0.02 0.00 2.15 0.91 -4.80 116.67 118.11 1cdl s ASP 129 Ca 0.11 -1.08 -0.26 0.00 0.43 0.00 0.00 52.55 51.76 1cdl s ASP 129 Cb 0.17 -2.50 -0.20 0.00 -0.30 0.00 0.00 42.92 40.09 1cdl s ASP 129 CO 0.66 -1.53 1.26 0.40 -0.17 0.00 0.00 175.17 175.79 1cdl h ILE 130 N 6.16 1.40 -0.20 4.11 5.03 -1.87 -3.31 117.51 128.83 1cdl h ILE 130 Ca -0.11 -1.18 -0.02 0.00 -0.12 0.00 0.00 64.86 63.43 1cdl h ILE 130 Cb 1.04 2.20 -0.01 0.00 -3.03 0.00 0.00 36.82 37.02 1cdl h ILE 130 CO 1.26 0.31 0.03 -0.90 -0.68 0.00 0.00 178.15 178.17 1cdl n ASP 131 N -4.84 2.60 0.00 1.72 3.85 -1.26 -4.93 116.55 113.69 1cdl n ASP 131 Ca -0.08 -2.32 0.00 0.00 -0.71 0.00 0.00 54.79 51.67 1cdl n ASP 131 Cb 0.26 -0.57 0.00 0.00 -1.35 0.00 0.00 41.12 39.46 1cdl n ASP 131 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1cdl n GLY 132 N 0.17 0.00 0.00 6.12 0.00 -1.25 -4.78 105.19 105.45 1cdl n GLY 132 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.16 1cdl n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cdl n ASP 133 N 0.38 0.00 0.00 1.61 5.75 -1.26 -4.88 116.55 118.15 1cdl n ASP 133 Ca 0.00 -1.58 0.00 0.00 -0.01 0.00 0.00 54.79 53.20 1cdl n ASP 133 Cb 0.20 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1cdl n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cdl n GLY 134 N 0.49 0.19 3.10 6.12 0.00 -1.26 -4.98 105.19 108.84 1cdl n GLY 134 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1cdl n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cdl s GLN 135 N -1.25 0.63 -0.33 1.61 -0.21 -1.26 -4.63 119.66 114.21 1cdl s GLN 135 Ca 0.00 -1.09 -0.09 0.00 0.02 0.00 0.00 55.36 54.20 1cdl s GLN 135 Cb 0.00 -0.04 0.01 0.00 1.00 0.00 0.00 33.01 33.97 1cdl s GLN 135 CO 0.00 -0.04 0.16 0.08 -2.12 0.00 0.00 175.29 173.37 1cdl s VAL 136 N -2.98 4.45 0.42 1.09 1.01 -0.28 -4.79 120.40 119.31 1cdl s VAL 136 Ca 0.02 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 1cdl s VAL 136 Cb 0.01 -3.36 0.08 0.00 0.00 0.00 0.00 36.38 33.11 1cdl s VAL 136 CO -0.05 -0.05 0.57 -0.46 0.00 0.00 0.00 175.10 175.12 1cdl n ASN 137 N 4.96 0.77 0.39 3.32 6.94 -1.26 -0.04 115.26 130.34 1cdl n ASN 137 Ca -0.13 -1.65 -0.19 0.00 -0.02 0.00 0.00 54.58 52.58 1cdl n ASN 137 Cb 0.48 -0.37 -0.10 0.00 -2.36 0.00 0.00 39.78 37.43 1cdl n ASN 137 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 1cdl h TYR 138 N -0.51 -1.35 -1.02 -2.53 3.20 -1.99 0.92 116.97 113.69 1cdl h TYR 138 Ca -0.19 -0.00 0.26 0.00 3.14 0.00 0.00 58.73 61.94 1cdl h TYR 138 Cb 0.70 0.50 -0.12 0.00 1.54 0.00 0.00 36.73 39.35 1cdl h TYR 138 CO 0.00 -0.72 0.62 0.93 -1.64 0.00 0.00 178.16 177.35 1cdl h GLU 139 N -1.14 0.48 0.01 1.82 3.07 -1.96 0.46 114.58 117.32 1cdl h GLU 139 Ca -0.09 -0.03 -0.20 0.00 -0.50 0.00 0.00 59.36 58.54 1cdl h GLU 139 Cb 0.94 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.73 1cdl h GLU 139 CO 0.05 0.32 -0.91 0.93 -1.40 0.00 0.00 179.01 178.00 1cdl h GLU 140 N 0.50 0.22 -0.10 2.33 5.08 -1.79 -2.21 114.58 118.60 1cdl h GLU 140 Ca 0.65 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.74 1cdl h GLU 140 Cb 1.38 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.70 1cdl h GLU 140 CO -0.44 0.98 -0.01 0.35 -1.00 0.00 0.00 179.01 178.89 1cdl h PHE 141 N 0.12 0.20 0.05 4.33 3.04 0.23 -2.82 116.94 122.08 1cdl h PHE 141 Ca -0.05 -0.04 0.02 0.00 3.98 0.00 0.00 57.97 61.88 1cdl h PHE 141 Cb 1.54 -0.05 -0.04 0.00 2.56 0.00 0.00 35.95 39.97 1cdl h PHE 141 CO 0.03 0.47 -0.22 0.28 -2.02 0.00 0.00 178.31 176.86 1cdl h VAL 142 N -0.13 0.50 0.00 1.41 2.07 -0.59 0.41 116.25 119.92 1cdl h VAL 142 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1cdl h VAL 142 Cb 0.40 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1cdl h VAL 142 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 1cdl n GLN 143 N -5.34 0.02 -0.01 1.57 3.00 -0.83 -0.65 117.38 115.13 1cdl n GLN 143 Ca -0.06 0.50 0.07 0.00 -0.01 0.00 0.00 57.00 57.51 1cdl n GLN 143 Cb 0.26 -1.57 -0.15 0.00 0.00 0.00 0.00 30.24 28.77 1cdl n GLN 143 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1cdl n MET 144 N -1.62 0.66 0.02 -1.09 1.56 0.03 -4.28 117.12 112.40 1cdl n MET 144 Ca 0.00 -0.13 0.11 0.00 -0.27 0.00 0.00 57.70 57.42 1cdl n MET 144 Cb 0.02 -1.55 0.07 0.00 2.15 0.00 0.00 33.22 33.90 1cdl n MET 144 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 1cdl n MET 145 N -2.40 0.21 0.00 2.12 2.81 0.18 -5.10 117.12 114.93 1cdl n MET 145 Ca -0.09 0.01 0.01 0.00 -1.81 0.00 0.00 57.70 55.81 1cdl n MET 145 Cb 0.68 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.62 1cdl n MET 145 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73