#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cln h GLU 6 N 0.00 -0.05 0.00 -0.78 4.81 -2.06 0.62 114.58 117.13 3cln h GLU 6 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3cln h GLU 6 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3cln h GLU 6 CO 0.00 -0.04 0.00 -1.91 -0.73 0.00 0.00 179.01 176.33 3cln n GLU 7 N -5.44 0.14 0.02 1.92 2.13 -1.26 -2.86 120.64 115.30 3cln n GLU 7 Ca 0.06 0.24 -0.21 0.00 0.66 0.00 0.00 57.16 57.91 3cln n GLU 7 Cb 0.34 -1.71 -0.14 0.00 0.27 0.00 0.00 31.44 30.20 3cln n GLU 7 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 3cln h GLN 8 N 0.00 0.26 -0.40 5.31 4.20 -0.41 -3.03 115.11 121.03 3cln h GLN 8 Ca 0.00 -0.44 -0.07 0.00 0.06 0.00 0.00 58.65 58.20 3cln h GLN 8 Cb 0.49 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 3cln h GLN 8 CO 0.00 1.21 -0.04 0.97 -0.67 0.00 0.00 178.83 180.30 3cln h ILE 9 N -0.33 1.23 -0.07 2.54 2.10 -0.35 -1.63 117.51 121.00 3cln h ILE 9 Ca -0.26 -0.97 0.02 0.00 1.08 0.00 0.00 64.86 64.72 3cln h ILE 9 Cb 1.72 0.97 -0.02 0.00 -1.09 0.00 0.00 36.82 38.41 3cln h ILE 9 CO 0.08 0.33 -0.05 0.00 -1.08 0.00 0.00 178.15 177.43 3cln h ALA 10 N 1.34 0.01 -0.23 0.18 0.00 -1.65 1.16 119.26 120.07 3cln h ALA 10 Ca 0.12 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3cln h ALA 10 Cb 0.45 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3cln h ALA 10 CO 0.02 -0.53 0.04 0.93 0.00 0.00 0.00 179.25 179.71 3cln h GLU 11 N -0.06 0.12 -0.74 0.00 5.08 -1.33 -0.59 114.58 117.06 3cln h GLU 11 Ca 0.05 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3cln h GLU 11 Cb 0.13 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 3cln h GLU 11 CO -0.11 0.08 0.49 0.74 -1.00 0.00 0.00 179.01 179.21 3cln h PHE 12 N 0.12 0.93 -0.79 4.33 0.05 -0.76 -1.80 116.94 119.02 3cln h PHE 12 Ca 0.10 0.02 0.09 0.00 3.82 0.00 0.00 57.97 62.01 3cln h PHE 12 Cb 0.11 -0.31 -0.07 0.00 2.00 0.00 0.00 35.95 37.67 3cln h PHE 12 CO -0.16 0.59 0.44 -0.22 -0.18 0.00 0.00 178.31 178.78 3cln h LYS 13 N 1.00 0.72 -0.47 1.51 3.64 0.23 -0.61 116.57 122.59 3cln h LYS 13 Ca 0.27 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3cln h LYS 13 Cb -0.12 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 3cln h LYS 13 CO -0.06 0.47 0.28 0.93 -2.27 0.00 0.00 179.45 178.80 3cln h GLU 14 N 0.74 0.64 -0.42 1.90 5.08 -0.35 -0.19 114.58 121.97 3cln h GLU 14 Ca 0.38 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.64 3cln h GLU 14 Cb 0.36 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3cln h GLU 14 CO -0.25 0.48 0.10 0.00 -1.00 0.00 0.00 179.01 178.34 3cln h ALA 15 N 1.13 0.56 -0.65 3.43 0.00 -0.53 -2.95 119.26 120.24 3cln h ALA 15 Ca 0.17 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3cln h ALA 15 Cb 0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3cln h ALA 15 CO -0.03 0.24 0.36 0.35 0.00 0.00 0.00 179.25 180.17 3cln h PHE 16 N 0.55 0.65 0.00 0.00 3.04 -0.75 -2.26 116.94 118.18 3cln h PHE 16 Ca 0.13 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.10 3cln h PHE 16 Cb 0.32 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 38.63 3cln h PHE 16 CO 0.02 0.31 -0.06 0.77 -2.02 0.00 0.00 178.31 177.33 3cln h SER 17 N 0.66 0.00 -0.65 0.41 0.02 -0.86 -1.66 113.55 111.47 3cln h SER 17 Ca 0.29 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.20 3cln h SER 17 Cb 0.19 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 3cln h SER 17 CO -0.19 0.06 0.23 0.25 -1.14 0.00 0.00 176.83 176.04 3cln h LEU 18 N 0.00 0.94 -0.05 5.07 5.85 -1.40 -3.08 115.31 122.64 3cln h LEU 18 Ca -0.00 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.50 3cln h LEU 18 Cb 0.13 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.92 3cln h LEU 18 CO 0.01 0.87 -0.24 -0.26 -0.34 0.00 0.00 178.44 178.48 3cln h PHE 19 N 0.99 0.33 -0.25 1.25 0.04 -1.56 -3.39 116.94 114.35 3cln h PHE 19 Ca 0.22 -0.15 -0.64 0.00 2.80 0.00 0.00 57.97 60.20 3cln h PHE 19 Cb 0.25 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 3cln h PHE 19 CO 0.02 0.87 2.48 -3.47 -0.60 0.00 0.00 178.31 177.60 3cln n ASP 20 N -4.51 3.68 -0.22 2.17 4.64 -0.67 -4.59 116.55 117.05 3cln n ASP 20 Ca -0.09 -2.80 0.09 0.00 -1.38 0.00 0.00 54.79 50.62 3cln n ASP 20 Cb 0.46 -1.55 0.37 0.00 -1.04 0.00 0.00 41.12 39.35 3cln n ASP 20 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3cln h LYS 21 N 7.26 0.69 -0.41 -0.67 1.79 -1.77 -2.33 116.57 121.14 3cln h LYS 21 Ca 0.46 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.89 3cln h LYS 21 Cb 0.73 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 3cln h LYS 21 CO 1.73 0.46 0.00 -0.40 -1.08 0.00 0.00 179.45 180.16 3cln n ASP 22 N -4.51 3.48 -3.29 0.86 5.75 -1.26 -4.99 116.55 112.59 3cln n ASP 22 Ca 0.14 -1.98 -0.23 0.00 -0.01 0.00 0.00 54.79 52.70 3cln n ASP 22 Cb 0.35 -0.27 0.01 0.00 -1.03 0.00 0.00 41.12 40.18 3cln n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cln n GLY 23 N 1.47 -0.50 0.32 6.12 0.00 -0.88 -4.87 105.19 106.86 3cln n GLY 23 Ca 0.19 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.46 3cln n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cln n ASP 24 N -2.36 1.01 0.00 1.61 3.85 -1.26 -4.91 116.55 114.48 3cln n ASP 24 Ca -0.04 -1.35 0.00 0.00 -0.71 0.00 0.00 54.79 52.69 3cln n ASP 24 Cb 0.56 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 40.33 3cln n ASP 24 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3cln n GLY 25 N 1.11 0.82 3.17 6.12 0.00 -1.26 -5.07 105.19 110.08 3cln n GLY 25 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 3cln n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cln s THR 26 N -2.06 0.15 -0.14 2.61 -4.23 -1.26 -4.24 115.64 106.47 3cln s THR 26 Ca 0.00 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 3cln s THR 26 Cb 0.00 -1.24 -0.01 0.00 1.34 0.00 0.00 72.50 72.59 3cln s THR 26 CO 0.00 -0.68 -0.14 -0.63 -0.54 0.00 0.00 174.62 172.63 3cln s ILE 27 N -3.50 2.87 0.25 2.99 1.01 0.43 -4.69 121.20 120.56 3cln s ILE 27 Ca 0.02 -0.72 0.06 0.00 0.00 0.00 0.00 60.65 60.01 3cln s ILE 27 Cb 0.04 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 3cln s ILE 27 CO -0.09 0.52 0.31 -0.89 0.00 0.00 0.00 174.94 174.79 3cln s THR 28 N 0.52 4.84 0.44 2.92 2.01 -1.26 -1.45 115.64 123.67 3cln s THR 28 Ca -0.09 -1.14 0.14 0.00 0.31 0.00 0.00 61.69 60.91 3cln s THR 28 Cb -0.16 -3.65 0.18 0.00 0.01 0.00 0.00 72.50 68.88 3cln s THR 28 CO 0.04 -0.32 1.99 0.71 -0.69 0.00 0.00 174.62 176.35 3cln h THR 29 N 1.26 1.13 -0.23 -0.82 1.35 -1.93 -0.27 112.91 113.40 3cln h THR 29 Ca -0.50 -0.63 -0.20 0.00 -0.55 0.00 0.00 66.41 64.52 3cln h THR 29 Cb 1.24 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 3cln h THR 29 CO 0.60 0.18 -0.65 0.11 -0.25 0.00 0.00 175.52 175.51 3cln h LYS 30 N 0.01 0.84 -0.28 4.72 6.56 -1.98 -1.22 116.57 125.22 3cln h LYS 30 Ca 0.00 -0.59 -0.08 0.00 -1.06 0.00 0.00 60.65 58.92 3cln h LYS 30 Cb 0.32 0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 32.07 3cln h LYS 30 CO 0.02 1.22 -0.13 0.93 -2.06 0.00 0.00 179.45 179.43 3cln h GLU 31 N 0.61 0.59 -1.00 3.15 5.08 -1.73 -0.93 114.58 120.35 3cln h GLU 31 Ca -0.01 -0.26 0.05 0.00 -1.00 0.00 0.00 59.36 58.14 3cln h GLU 31 Cb 1.27 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 3cln h GLU 31 CO 0.14 0.83 0.65 1.25 -1.00 0.00 0.00 179.01 180.88 3cln h LEU 32 N 0.34 1.07 -0.31 1.33 5.85 -1.08 -1.86 115.31 120.64 3cln h LEU 32 Ca 0.06 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3cln h LEU 32 Cb 0.65 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3cln h LEU 32 CO 0.04 0.71 0.17 1.23 -0.34 0.00 0.00 178.44 180.25 3cln h GLY 33 N 1.23 0.42 2.00 3.75 0.00 -0.85 -1.35 103.07 108.27 3cln h GLY 33 Ca 0.41 -0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.51 3cln h GLY 33 CO -0.14 0.11 -0.48 0.00 0.00 0.00 0.00 176.54 176.03 3cln h THR 34 N 0.36 1.26 -0.11 4.70 1.03 -0.33 -2.13 112.91 117.69 3cln h THR 34 Ca 0.12 -1.68 -0.05 0.00 -0.01 0.00 0.00 66.41 64.79 3cln h THR 34 Cb 0.01 1.92 -0.00 0.00 -1.07 0.00 0.00 68.15 69.01 3cln h THR 34 CO -0.07 0.47 -0.14 0.58 -0.01 0.00 0.00 175.52 176.36 3cln h VAL 35 N 0.00 1.37 -0.54 0.00 2.07 -1.46 -0.41 116.25 117.28 3cln h VAL 35 Ca -0.00 -1.33 0.04 0.00 0.82 0.00 0.00 66.70 66.22 3cln h VAL 35 Cb 0.89 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 32.60 3cln h VAL 35 CO 0.06 0.38 0.30 0.24 0.02 0.00 0.00 177.57 178.57 3cln h MET 36 N -0.12 0.56 -0.47 1.57 2.86 -1.08 -2.15 114.93 116.11 3cln h MET 36 Ca 0.01 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3cln h MET 36 Cb 0.68 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 3cln h MET 36 CO 0.03 0.37 0.26 0.00 1.06 0.00 0.00 176.91 178.63 3cln h ARG 37 N 0.58 0.65 0.00 1.72 -0.00 -0.76 -1.25 114.38 115.32 3cln h ARG 37 Ca 0.23 -0.08 0.00 0.00 -0.50 0.00 0.00 59.98 59.63 3cln h ARG 37 Cb 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 29.97 29.93 3cln h ARG 37 CO -0.13 0.51 0.00 0.66 0.00 0.00 0.00 179.97 181.01 3cln h SER 38 N 0.62 0.00 -0.23 7.04 4.64 -0.65 0.82 113.55 125.78 3cln h SER 38 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3cln h SER 38 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3cln h SER 38 CO -0.03 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.11 3cln n LEU 39 N -2.57 2.60 -0.01 5.97 4.77 -0.54 -4.95 117.00 122.28 3cln n LEU 39 Ca -0.01 -1.06 -0.00 0.00 -0.03 0.00 0.00 56.01 54.91 3cln n LEU 39 Cb 0.11 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3cln n LEU 39 CO 0.16 0.53 -0.00 0.61 -1.33 0.00 0.00 177.39 177.36 3cln n GLY 40 N 1.33 0.37 2.90 -0.72 0.00 0.28 -5.07 105.19 104.28 3cln n GLY 40 Ca 0.17 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 3cln n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3cln s GLN 41 N -4.01 1.00 -0.75 1.61 0.74 -0.82 -5.01 119.66 112.43 3cln s GLN 41 Ca 0.00 -0.14 0.03 0.00 0.05 0.00 0.00 55.36 55.30 3cln s GLN 41 Cb -0.00 -1.02 0.22 0.00 1.10 0.00 0.00 33.01 33.31 3cln s GLN 41 CO 0.00 -0.11 0.70 0.09 -0.55 0.00 0.00 175.29 175.42 3cln n ASN 42 N 4.24 3.73 -4.72 6.67 4.13 -1.26 -2.01 115.26 126.04 3cln n ASN 42 Ca -0.21 -3.29 -0.32 0.00 1.68 0.00 0.00 54.58 52.44 3cln n ASN 42 Cb 0.51 -0.82 0.12 0.00 -1.54 0.00 0.00 39.78 38.04 3cln n ASN 42 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3cln s PRO 43 N -1.88 1.80 0.65 3.52 0.04 -1.26 -5.03 135.00 132.85 3cln s PRO 43 Ca 0.31 1.50 -0.06 0.00 0.04 0.00 0.00 61.00 62.79 3cln s PRO 43 Cb 0.02 -1.82 0.04 0.00 0.04 0.00 0.00 34.50 32.78 3cln s PRO 43 CO -0.09 -2.04 0.96 0.95 0.04 0.00 0.00 177.00 176.82 3cln s THR 44 N -2.50 2.76 0.37 1.26 -4.23 -1.26 -4.90 115.64 107.14 3cln s THR 44 Ca 0.67 -0.22 0.05 0.00 -1.18 0.00 0.00 61.69 61.02 3cln s THR 44 Cb -0.23 -3.15 0.27 0.00 1.34 0.00 0.00 72.50 70.73 3cln s THR 44 CO 0.52 -0.15 2.02 -0.08 -0.54 0.00 0.00 174.62 176.39 3cln h GLU 45 N -0.40 0.71 -0.61 3.99 4.57 -1.98 -1.03 114.58 119.83 3cln h GLU 45 Ca -0.45 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 57.61 3cln h GLU 45 Cb 1.30 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 3cln h GLU 45 CO 0.60 0.47 0.06 0.00 -1.18 0.00 0.00 179.01 178.96 3cln h ALA 46 N 1.65 0.81 -0.23 2.92 0.00 -1.99 0.34 119.26 122.78 3cln h ALA 46 Ca 0.22 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 3cln h ALA 46 Cb -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3cln h ALA 46 CO -0.05 0.61 -0.49 0.93 0.00 0.00 0.00 179.25 180.25 3cln h GLU 47 N 0.94 0.61 0.11 0.00 5.08 -1.83 -2.09 114.58 117.40 3cln h GLU 47 Ca 0.18 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3cln h GLU 47 Cb 0.48 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3cln h GLU 47 CO 0.02 0.96 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.87 3cln h LEU 48 N 0.48 -0.13 -0.90 1.33 4.07 -0.79 -1.60 115.31 117.77 3cln h LEU 48 Ca 0.02 -0.16 0.14 0.00 0.08 0.00 0.00 57.88 57.96 3cln h LEU 48 Cb 1.03 0.03 -0.09 0.00 1.08 0.00 0.00 40.66 42.71 3cln h LEU 48 CO 0.10 0.09 0.51 -0.61 -1.08 0.00 0.00 178.44 177.45 3cln h GLN 49 N -0.34 0.73 -0.40 1.13 5.75 -0.26 0.11 115.11 121.82 3cln h GLN 49 Ca -0.02 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.35 3cln h GLN 49 Cb 0.28 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 3cln h GLN 49 CO 0.02 0.48 -0.13 -0.44 -2.65 0.00 0.00 178.83 176.12 3cln h ASP 50 N 0.75 0.72 -0.43 -0.69 3.32 -1.14 -1.50 116.42 117.44 3cln h ASP 50 Ca 0.48 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 3cln h ASP 50 Cb 0.62 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3cln h ASP 50 CO -0.33 0.87 0.19 0.24 -1.72 0.00 0.00 179.24 178.48 3cln h MET 51 N 0.66 0.64 -0.20 3.56 2.86 0.19 -2.91 114.93 119.73 3cln h MET 51 Ca 0.11 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3cln h MET 51 Cb 0.59 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 3cln h MET 51 CO 0.04 0.57 0.07 0.82 1.06 0.00 0.00 176.91 179.47 3cln h ILE 52 N 0.55 1.18 -0.94 -1.22 5.03 -1.18 -3.18 117.51 117.75 3cln h ILE 52 Ca 0.15 -0.55 0.13 0.00 -0.12 0.00 0.00 64.86 64.47 3cln h ILE 52 Cb 0.16 1.17 -0.08 0.00 -3.03 0.00 0.00 36.82 35.05 3cln h ILE 52 CO -0.01 0.17 0.60 0.78 -0.68 0.00 0.00 178.15 179.01 3cln h ASN 53 N 0.15 0.79 -0.74 1.72 -0.26 -1.23 0.42 115.58 116.43 3cln h ASN 53 Ca 0.06 0.04 0.03 0.00 -0.56 0.00 0.00 56.30 55.88 3cln h ASN 53 Cb 0.21 -0.11 -0.04 0.00 -1.06 0.00 0.00 38.32 37.31 3cln h ASN 53 CO -0.00 0.41 0.49 -0.08 -1.06 0.00 0.00 177.43 177.19 3cln h GLU 54 N 0.85 0.89 0.00 0.81 4.81 -1.49 -3.26 114.58 117.19 3cln h GLU 54 Ca 0.47 -0.05 -0.36 0.00 -0.13 0.00 0.00 59.36 59.29 3cln h GLU 54 Cb 0.59 -0.20 -0.07 0.00 0.63 0.00 0.00 28.75 29.71 3cln h GLU 54 CO -0.24 0.59 -2.30 1.33 -0.73 0.00 0.00 179.01 177.66 3cln n VAL 55 N -4.45 1.45 -1.55 0.32 0.24 -0.49 -4.85 118.33 109.00 3cln n VAL 55 Ca 0.09 -0.79 -0.24 0.00 -2.04 0.00 0.00 64.34 61.36 3cln n VAL 55 Cb 0.11 -0.76 -0.08 0.00 -1.47 0.00 0.00 33.84 31.65 3cln n VAL 55 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3cln n ASP 56 N -2.91 1.55 0.08 -1.34 4.64 0.13 -4.82 116.55 113.88 3cln n ASP 56 Ca -0.33 -0.94 -0.07 0.00 -1.38 0.00 0.00 54.79 52.07 3cln n ASP 56 Cb 1.11 -1.47 0.08 0.00 -1.04 0.00 0.00 41.12 39.80 3cln n ASP 56 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3cln h ALA 57 N 14.91 0.75 -0.21 -1.67 0.00 -1.88 -3.33 119.26 127.83 3cln h ALA 57 Ca -0.08 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3cln h ALA 57 Cb 1.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3cln h ALA 57 CO 1.15 0.76 0.00 -0.40 0.00 0.00 0.00 179.25 180.76 3cln n ASP 58 N -3.84 3.18 -1.32 0.00 3.85 -1.26 -4.99 116.55 112.17 3cln n ASP 58 Ca -0.03 -1.97 -0.16 0.00 -0.71 0.00 0.00 54.79 51.92 3cln n ASP 58 Cb 0.66 -0.13 -0.06 0.00 -1.35 0.00 0.00 41.12 40.25 3cln n ASP 58 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3cln n GLY 59 N 1.37 1.22 0.00 6.12 0.00 -1.25 -4.86 105.19 107.80 3cln n GLY 59 Ca 0.16 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.02 3cln n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cln n ASN 60 N -0.63 0.00 0.00 1.61 0.23 -1.26 -4.89 115.26 110.33 3cln n ASN 60 Ca -0.16 0.36 0.00 0.00 -0.53 0.00 0.00 54.58 54.25 3cln n ASN 60 Cb 0.54 -0.44 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 3cln n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3cln n GLY 61 N 0.78 0.51 3.16 4.83 0.00 -1.26 -5.05 105.19 108.15 3cln n GLY 61 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 3cln n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cln s THR 62 N -2.21 0.27 -0.15 2.61 -4.23 -1.26 -4.75 115.64 105.92 3cln s THR 62 Ca 0.00 -1.91 -0.02 0.00 -1.18 0.00 0.00 61.69 58.59 3cln s THR 62 Cb 0.00 -1.94 -0.02 0.00 1.34 0.00 0.00 72.50 71.88 3cln s THR 62 CO 0.00 -0.59 -0.09 -0.51 -0.54 0.00 0.00 174.62 172.89 3cln s ILE 63 N -3.92 3.37 0.49 2.99 1.10 -0.53 -4.76 121.20 119.94 3cln s ILE 63 Ca 0.20 -0.54 0.08 0.00 -0.51 0.00 0.00 60.65 59.88 3cln s ILE 63 Cb 0.07 -2.45 0.04 0.00 0.15 0.00 0.00 42.46 40.27 3cln s ILE 63 CO -0.00 0.51 0.60 1.51 -2.11 0.00 0.00 174.94 175.45 3cln s ASP 64 N 0.44 5.23 0.11 4.50 3.84 -1.26 0.16 116.67 129.70 3cln s ASP 64 Ca -0.07 -0.73 -0.28 0.00 -0.00 0.00 0.00 52.55 51.47 3cln s ASP 64 Cb -0.15 -0.16 -0.08 0.00 -1.38 0.00 0.00 42.92 41.15 3cln s ASP 64 CO 0.04 -1.00 1.62 0.15 -0.00 0.00 0.00 175.17 175.98 3cln h PHE 65 N 0.54 -0.81 -1.00 2.11 -0.00 -2.00 -1.62 116.94 114.16 3cln h PHE 65 Ca -0.36 0.02 0.15 0.00 -0.00 0.00 0.00 57.97 57.78 3cln h PHE 65 Cb 1.28 0.34 -0.09 0.00 -0.00 0.00 0.00 35.95 37.48 3cln h PHE 65 CO 0.50 -0.40 0.62 -1.35 -0.00 0.00 0.00 178.31 177.67 3cln h PRO 66 N -0.51 0.86 -0.03 6.41 0.11 -1.97 0.20 132.00 137.07 3cln h PRO 66 Ca 0.03 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 3cln h PRO 66 Cb 0.55 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 3cln h PRO 66 CO -0.18 0.57 -0.01 0.93 -0.21 0.00 0.00 178.00 179.10 3cln h GLU 67 N 0.89 0.05 0.17 1.05 5.08 -1.83 -1.99 114.58 118.00 3cln h GLU 67 Ca 0.53 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.88 3cln h GLU 67 Cb 0.67 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 3cln h GLU 67 CO -0.32 0.43 -0.30 0.35 -1.00 0.00 0.00 179.01 178.17 3cln h PHE 68 N -0.33 -0.82 -0.68 4.33 3.57 -0.99 -0.94 116.94 121.08 3cln h PHE 68 Ca 0.01 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.64 3cln h PHE 68 Cb 0.41 0.34 -0.09 0.00 2.79 0.00 0.00 35.95 39.41 3cln h PHE 68 CO 0.06 -0.42 0.24 1.25 -2.23 0.00 0.00 178.31 177.22 3cln h LEU 69 N -0.55 0.21 -0.37 0.59 7.12 -0.66 0.20 115.31 121.85 3cln h LEU 69 Ca 0.02 0.10 -0.19 0.00 0.13 0.00 0.00 57.88 57.94 3cln h LEU 69 Cb 0.56 0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.77 3cln h LEU 69 CO -0.15 0.10 -0.79 0.71 -0.13 0.00 0.00 178.44 178.19 3cln h THR 70 N 0.40 1.42 0.15 1.05 1.35 -1.23 -0.96 112.91 115.09 3cln h THR 70 Ca 0.36 -2.31 -0.01 0.00 -0.55 0.00 0.00 66.41 63.91 3cln h THR 70 Cb 0.51 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 3cln h THR 70 CO -0.37 0.68 -0.07 -0.03 -0.25 0.00 0.00 175.52 175.48 3cln h MET 71 N 0.20 -0.19 -0.47 4.72 1.85 0.06 -3.23 114.93 117.88 3cln h MET 71 Ca -0.04 0.01 0.07 0.00 -0.61 0.00 0.00 59.70 59.13 3cln h MET 71 Cb 1.37 0.04 -0.06 0.00 0.43 0.00 0.00 31.60 33.39 3cln h MET 71 CO 0.13 0.04 0.14 1.98 -0.40 0.00 0.00 176.91 178.80 3cln h MET 72 N -0.40 0.29 0.00 0.39 -1.53 -0.64 -2.52 114.93 110.52 3cln h MET 72 Ca -0.02 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.22 3cln h MET 72 Cb 0.32 -0.07 0.00 0.00 -0.55 0.00 0.00 31.60 31.30 3cln h MET 72 CO 0.03 0.19 0.00 0.00 0.14 0.00 0.00 176.91 177.28 3cln n ALA 73 N -2.44 -0.25 -0.36 0.39 0.00 -0.37 -1.42 120.51 116.06 3cln n ALA 73 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.48 3cln n ALA 73 Cb 0.20 0.12 0.04 0.00 0.00 0.00 0.00 19.45 19.81 3cln n ALA 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3cln n ARG 74 N -1.81 -0.22 0.25 0.00 1.74 -1.22 0.02 116.66 115.42 3cln n ARG 74 Ca 0.00 1.44 0.17 0.00 -0.77 0.00 0.00 57.85 58.69 3cln n ARG 74 Cb 0.00 -2.14 0.74 0.00 -1.02 0.00 0.00 32.46 30.04 3cln n ARG 74 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3cln h LYS 75 N 0.00 0.00 0.00 5.56 3.64 -1.41 -2.37 116.57 121.99 3cln h LYS 75 Ca 0.33 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.59 3cln h LYS 75 Cb 0.56 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 3cln h LYS 75 CO -0.93 0.00 -0.57 0.52 -2.27 0.00 0.00 179.45 176.20 3cln h MET 76 N 0.00 0.00 -0.19 1.90 2.86 0.80 -3.16 114.93 117.14 3cln h MET 76 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3cln h MET 76 Cb 0.33 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3cln h MET 76 CO 0.00 0.57 -0.03 0.87 1.06 0.00 0.00 176.91 179.38 3cln h LYS 77 N 0.00 0.34 0.00 1.72 1.79 -1.32 -3.09 116.57 116.02 3cln h LYS 77 Ca -0.01 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 3cln h LYS 77 Cb 1.33 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 3cln h LYS 77 CO 0.07 0.58 0.00 -0.25 -1.08 0.00 0.00 179.45 178.78 3cln n ASP 78 N -4.67 0.64 -0.00 0.86 10.43 -1.21 -1.98 116.55 120.62 3cln n ASP 78 Ca -0.05 0.68 0.10 0.00 2.57 0.00 0.00 54.79 58.09 3cln n ASP 78 Cb 0.25 -0.81 -0.11 0.00 1.84 0.00 0.00 41.12 42.30 3cln n ASP 78 CO 0.00 0.00 0.00 1.07 -1.07 0.00 0.00 177.20 177.20 3cln n THR 79 N -2.23 0.00 1.03 -3.53 5.66 -1.20 -2.60 114.28 111.42 3cln n THR 79 Ca 0.02 -0.07 0.11 0.00 -3.05 0.00 0.00 64.05 61.05 3cln n THR 79 Cb 0.20 0.82 0.07 0.00 -1.55 0.00 0.00 70.33 69.87 3cln n THR 79 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3cln n ASP 80 N -1.62 0.95 -0.05 1.09 10.43 -0.84 -3.17 116.55 123.34 3cln n ASP 80 Ca 0.03 -0.78 -0.04 0.00 2.57 0.00 0.00 54.79 56.56 3cln n ASP 80 Cb 0.37 0.59 -0.01 0.00 1.84 0.00 0.00 41.12 43.90 3cln n ASP 80 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3cln n SER 81 N -1.24 1.28 -0.04 -2.24 7.64 -0.91 -3.66 113.62 114.44 3cln n SER 81 Ca 0.06 0.42 0.24 0.00 1.01 0.00 0.00 58.87 60.60 3cln n SER 81 Cb 0.35 -0.73 0.71 0.00 -1.01 0.00 0.00 64.21 63.54 3cln n SER 81 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3cln h GLU 82 N -0.69 0.00 0.08 1.43 4.57 -1.66 0.11 114.58 118.41 3cln h GLU 82 Ca 0.00 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 57.92 3cln h GLU 82 Cb 0.47 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 3cln h GLU 82 CO 0.00 0.00 -1.23 0.93 -1.18 0.00 0.00 179.01 177.53 3cln h GLU 83 N 0.00 0.17 -0.19 1.92 5.08 -1.73 0.12 114.58 119.95 3cln h GLU 83 Ca 0.31 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3cln h GLU 83 Cb 1.50 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 3cln h GLU 83 CO -0.00 1.10 -0.05 0.93 -1.00 0.00 0.00 179.01 179.98 3cln h GLU 84 N 0.05 0.38 -0.31 2.33 5.08 -0.91 -2.30 114.58 118.89 3cln h GLU 84 Ca -0.12 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.01 3cln h GLU 84 Cb 1.92 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.13 3cln h GLU 84 CO 0.17 0.64 -0.17 0.82 -1.00 0.00 0.00 179.01 179.46 3cln h ILE 85 N 0.09 1.25 0.00 3.13 2.04 -1.31 -1.63 117.51 121.08 3cln h ILE 85 Ca 0.05 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.74 3cln h ILE 85 Cb 0.50 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3cln h ILE 85 CO 0.02 0.38 -0.04 0.03 0.00 0.00 0.00 178.15 178.53 3cln h ARG 86 N 0.51 0.00 0.26 2.37 3.08 -0.49 -2.76 114.38 117.35 3cln h ARG 86 Ca 0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3cln h ARG 86 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3cln h ARG 86 CO 0.04 0.04 -0.12 0.93 -1.07 0.00 0.00 179.97 179.79 3cln h GLU 87 N 0.00 -0.33 -0.83 0.04 5.08 -0.75 -3.18 114.58 114.61 3cln h GLU 87 Ca -0.00 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.57 3cln h GLU 87 Cb 0.49 0.08 -0.12 0.00 0.50 0.00 0.00 28.75 29.69 3cln h GLU 87 CO 0.01 -0.22 0.28 0.00 -1.00 0.00 0.00 179.01 178.08 3cln h ALA 88 N -1.20 1.20 -0.65 3.43 0.00 -1.37 0.14 119.26 120.80 3cln h ALA 88 Ca -0.04 0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.16 3cln h ALA 88 Cb 0.26 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 3cln h ALA 88 CO 0.06 -0.34 0.19 0.35 0.00 0.00 0.00 179.25 179.51 3cln h PHE 89 N 0.34 0.32 -0.20 0.00 3.57 -1.57 0.18 116.94 119.56 3cln h PHE 89 Ca 0.49 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.93 3cln h PHE 89 Cb 0.89 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 3cln h PHE 89 CO -0.20 0.01 -0.30 -0.09 -2.23 0.00 0.00 178.31 175.49 3cln h ARG 90 N 0.33 0.40 0.05 1.11 2.43 -0.71 0.17 114.38 118.16 3cln h ARG 90 Ca 0.35 -0.16 -0.27 0.00 -0.81 0.00 0.00 59.98 59.08 3cln h ARG 90 Cb 0.51 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 30.06 3cln h ARG 90 CO -0.40 0.66 -1.12 -0.39 -1.51 0.00 0.00 179.97 177.22 3cln h VAL 91 N 0.35 1.30 -0.15 0.20 -1.51 -0.78 -3.28 116.25 112.38 3cln h VAL 91 Ca 0.05 -2.39 -0.01 0.00 -1.23 0.00 0.00 66.70 63.12 3cln h VAL 91 Cb 0.71 2.52 -0.01 0.00 -2.13 0.00 0.00 31.29 32.39 3cln h VAL 91 CO 0.05 0.73 0.06 -0.26 -1.23 0.00 0.00 177.57 176.92 3cln h PHE 92 N 0.32 0.24 0.00 5.19 0.04 -0.70 -3.32 116.94 118.70 3cln h PHE 92 Ca -0.15 -0.02 -0.59 0.00 2.80 0.00 0.00 57.97 60.01 3cln h PHE 92 Cb 1.78 -0.07 0.01 0.00 2.20 0.00 0.00 35.95 39.87 3cln h PHE 92 CO 0.10 0.32 3.07 -3.47 -0.60 0.00 0.00 178.31 177.73 3cln n ASP 93 N -4.87 5.49 -0.52 2.17 4.64 0.58 -4.70 116.55 119.35 3cln n ASP 93 Ca -0.05 -2.58 0.42 0.00 -1.38 0.00 0.00 54.79 51.21 3cln n ASP 93 Cb 0.12 -1.37 0.71 0.00 -1.04 0.00 0.00 41.12 39.55 3cln n ASP 93 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 3cln h LYS 94 N 6.11 0.05 -0.69 -0.67 3.64 -1.76 0.59 116.57 123.84 3cln h LYS 94 Ca 0.62 -0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.66 3cln h LYS 94 Cb 0.39 -0.01 -0.20 0.00 -0.41 0.00 0.00 32.23 32.00 3cln h LYS 94 CO 1.74 0.03 0.30 -0.40 -2.27 0.00 0.00 179.45 178.86 3cln n ASP 95 N -4.43 3.37 -3.48 4.20 3.85 -1.26 -4.97 116.55 113.84 3cln n ASP 95 Ca 0.39 -3.61 -0.07 0.00 -0.71 0.00 0.00 54.79 50.79 3cln n ASP 95 Cb 1.60 -0.74 -0.00 0.00 -1.35 0.00 0.00 41.12 40.63 3cln n ASP 95 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3cln n GLY 96 N -1.01 -0.10 0.36 6.12 0.00 0.20 -4.76 105.19 106.01 3cln n GLY 96 Ca 0.46 0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.57 3cln n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cln n ASN 97 N 0.26 1.71 0.00 1.61 6.94 -1.26 -4.99 115.26 119.53 3cln n ASN 97 Ca -0.03 -1.35 0.00 0.00 -0.02 0.00 0.00 54.58 53.18 3cln n ASN 97 Cb 0.09 0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 3cln n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3cln n GLY 98 N 0.58 1.00 3.13 4.83 0.00 -1.26 -5.05 105.19 108.41 3cln n GLY 98 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 3cln n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cln s TYR 99 N -2.26 1.42 -0.50 1.61 1.51 -1.26 -4.11 117.35 113.75 3cln s TYR 99 Ca 0.00 -0.29 -0.19 0.00 -1.01 0.00 0.00 57.07 55.57 3cln s TYR 99 Cb 0.00 -0.93 0.05 0.00 -0.11 0.00 0.00 41.96 40.98 3cln s TYR 99 CO 0.00 -0.05 0.64 0.42 -1.11 0.00 0.00 175.55 175.46 3cln s ILE 100 N -0.29 4.85 0.59 2.71 1.01 0.15 -4.82 121.20 125.40 3cln s ILE 100 Ca 0.04 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.30 3cln s ILE 100 Cb -0.07 -4.30 0.06 0.00 0.01 0.00 0.00 42.46 38.16 3cln s ILE 100 CO -0.00 -0.80 0.83 -0.94 0.00 0.00 0.00 174.94 174.02 3cln s SER 101 N 2.64 5.04 0.25 3.58 1.04 -1.26 -1.63 113.70 123.35 3cln s SER 101 Ca 0.16 -0.14 -0.06 0.00 0.48 0.00 0.00 55.95 56.39 3cln s SER 101 Cb -0.18 -0.60 0.28 0.00 0.10 0.00 0.00 66.02 65.61 3cln s SER 101 CO 0.13 -1.33 1.91 0.00 0.98 0.00 0.00 173.24 174.93 3cln h ALA 102 N -0.07 1.26 -0.65 5.32 0.00 -1.94 -1.75 119.26 121.43 3cln h ALA 102 Ca -0.40 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.48 3cln h ALA 102 Cb 1.29 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3cln h ALA 102 CO 0.49 0.59 0.40 0.00 0.00 0.00 0.00 179.25 180.72 3cln h ALA 103 N 1.38 0.85 -0.04 0.00 0.00 -1.99 -0.26 119.26 119.20 3cln h ALA 103 Ca 0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3cln h ALA 103 Cb -0.09 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3cln h ALA 103 CO -0.10 0.14 -0.03 0.93 0.00 0.00 0.00 179.25 180.20 3cln h GLU 104 N 0.78 0.10 -0.26 0.00 5.08 -1.78 -1.48 114.58 117.02 3cln h GLU 104 Ca 0.27 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 3cln h GLU 104 Cb 0.04 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3cln h GLU 104 CO -0.11 0.51 -0.11 1.25 -1.00 0.00 0.00 179.01 179.55 3cln h LEU 105 N -0.32 0.40 0.15 1.33 5.85 -1.24 -1.83 115.31 119.65 3cln h LEU 105 Ca 0.01 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3cln h LEU 105 Cb 0.49 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3cln h LEU 105 CO 0.01 0.55 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.49 3cln h ARG 106 N 0.40 -0.19 -0.03 1.25 2.43 -1.02 0.93 114.38 118.14 3cln h ARG 106 Ca 0.08 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3cln h ARG 106 Cb 0.43 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.97 3cln h ARG 106 CO 0.02 0.20 -0.48 1.25 -1.51 0.00 0.00 179.97 179.45 3cln h HIS 107 N -0.64 -1.41 -0.19 2.20 2.76 -1.05 -1.32 115.15 115.50 3cln h HIS 107 Ca -0.02 0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 3cln h HIS 107 Cb 0.48 0.62 -0.01 0.00 1.55 0.00 0.00 27.41 30.05 3cln h HIS 107 CO 0.06 -0.50 0.03 -0.24 -1.30 0.00 0.00 177.93 175.98 3cln h VAL 108 N -0.58 1.10 -0.17 5.26 3.04 -1.42 -1.78 116.25 121.71 3cln h VAL 108 Ca 0.01 -0.37 -0.04 0.00 -1.01 0.00 0.00 66.70 65.29 3cln h VAL 108 Cb 0.63 0.93 -0.01 0.00 -2.01 0.00 0.00 31.29 30.83 3cln h VAL 108 CO -0.34 0.13 -0.07 -0.03 -1.01 0.00 0.00 177.57 176.25 3cln h MET 109 N 0.26 0.26 -0.15 4.17 -1.53 0.05 -1.98 114.93 116.00 3cln h MET 109 Ca 0.06 -0.05 -0.14 0.00 -3.44 0.00 0.00 59.70 56.14 3cln h MET 109 Cb 0.13 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.13 3cln h MET 109 CO -0.00 0.35 -0.50 0.00 0.14 0.00 0.00 176.91 176.90 3cln h THR 110 N 0.25 1.33 0.00 -0.77 1.03 -0.38 -1.20 112.91 113.18 3cln h THR 110 Ca 0.05 -1.73 0.00 0.00 -0.01 0.00 0.00 66.41 64.72 3cln h THR 110 Cb 0.30 1.77 0.00 0.00 -1.07 0.00 0.00 68.15 69.14 3cln h THR 110 CO 0.01 0.53 0.00 0.78 -0.01 0.00 0.00 175.52 176.83 3cln h ASN 111 N 0.31 0.00 0.03 0.00 -0.26 -1.11 -1.80 115.58 112.75 3cln h ASN 111 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 3cln h ASN 111 Cb 0.99 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.25 3cln h ASN 111 CO 0.09 0.00 -0.04 0.18 -1.06 0.00 0.00 177.43 176.60 3cln n LEU 112 N -2.91 1.38 0.00 1.61 4.32 -0.96 -4.92 117.00 115.53 3cln n LEU 112 Ca 0.01 -0.45 0.00 0.00 -0.02 0.00 0.00 56.01 55.55 3cln n LEU 112 Cb 0.29 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 3cln n LEU 112 CO 0.26 0.23 0.00 0.61 -1.22 0.00 0.00 177.39 177.27 3cln n GLY 113 N 1.20 0.80 3.07 -0.72 0.00 -0.68 -5.08 105.19 103.79 3cln n GLY 113 Ca 0.18 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3cln n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cln s GLU 114 N -0.68 2.56 -0.50 1.61 0.41 -0.49 -5.01 118.70 116.60 3cln s GLU 114 Ca 0.00 -0.93 -0.16 0.00 -0.41 0.00 0.00 54.97 53.46 3cln s GLU 114 Cb 0.00 -2.57 0.09 0.00 -1.78 0.00 0.00 34.13 29.87 3cln s GLU 114 CO 0.00 -0.34 0.46 0.15 -0.49 0.00 0.00 175.26 175.04 3cln s LYS 115 N 1.28 3.00 -0.10 1.61 1.02 -1.26 -2.74 119.74 122.55 3cln s LYS 115 Ca 0.00 -1.42 -0.06 0.00 0.02 0.00 0.00 55.97 54.52 3cln s LYS 115 Cb -0.15 -4.19 -0.04 0.00 -0.52 0.00 0.00 37.83 32.93 3cln s LYS 115 CO -0.10 -1.16 0.14 -0.51 -0.92 0.00 0.00 175.35 172.80 3cln s LEU 116 N 1.76 4.33 0.81 3.17 1.02 -1.26 -5.11 118.68 123.41 3cln s LEU 116 Ca 0.05 0.43 -0.12 0.00 0.02 0.00 0.00 54.13 54.51 3cln s LEU 116 Cb -0.26 -2.14 0.08 0.00 0.02 0.00 0.00 46.19 43.90 3cln s LEU 116 CO 0.06 0.39 1.16 0.42 0.02 0.00 0.00 176.35 178.40 3cln s THR 117 N -1.07 2.18 0.51 5.49 -4.23 -1.26 -4.88 115.64 112.38 3cln s THR 117 Ca 0.17 0.06 0.17 0.00 -1.18 0.00 0.00 61.69 60.91 3cln s THR 117 Cb -0.12 -3.02 0.30 0.00 1.34 0.00 0.00 72.50 71.00 3cln s THR 117 CO 0.06 -0.08 2.10 -0.78 -0.54 0.00 0.00 174.62 175.38 3cln h ASP 118 N -1.07 0.06 -0.31 3.99 -0.00 -1.99 -2.47 116.42 114.62 3cln h ASP 118 Ca -0.46 -0.00 -0.16 0.00 -0.00 0.00 0.00 57.03 56.41 3cln h ASP 118 Cb 1.32 -0.01 -0.00 0.00 -0.00 0.00 0.00 39.33 40.63 3cln h ASP 118 CO 0.65 0.04 -0.41 -0.08 -0.00 0.00 0.00 179.24 179.44 3cln h GLU 119 N 0.07 0.83 -0.11 0.28 4.81 -1.99 -1.98 114.58 116.49 3cln h GLU 119 Ca 0.08 -0.48 -0.12 0.00 -0.13 0.00 0.00 59.36 58.72 3cln h GLU 119 Cb 0.25 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3cln h GLU 119 CO -0.01 1.11 -0.45 0.93 -0.73 0.00 0.00 179.01 179.86 3cln h GLU 120 N 0.61 0.27 -0.09 1.92 5.08 -1.82 -2.75 114.58 117.81 3cln h GLU 120 Ca 0.04 -0.14 -0.22 0.00 -1.00 0.00 0.00 59.36 58.03 3cln h GLU 120 Cb 1.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.27 3cln h GLU 120 CO 0.10 0.67 -0.84 0.28 -1.00 0.00 0.00 179.01 178.22 3cln h VAL 121 N 0.22 1.32 -0.59 3.13 2.07 -1.47 -2.97 116.25 117.97 3cln h VAL 121 Ca 0.02 -2.13 0.05 0.00 0.82 0.00 0.00 66.70 65.45 3cln h VAL 121 Cb 0.89 2.15 -0.05 0.00 -1.52 0.00 0.00 31.29 32.76 3cln h VAL 121 CO 0.07 0.66 0.33 0.44 0.02 0.00 0.00 177.57 179.09 3cln h ASP 122 N 0.41 0.49 -0.48 0.57 3.32 -1.30 -1.29 116.42 118.13 3cln h ASP 122 Ca -0.07 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 3cln h ASP 122 Cb 1.46 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.91 3cln h ASP 122 CO 0.16 0.33 0.17 -0.08 -1.72 0.00 0.00 179.24 178.10 3cln h GLU 123 N 0.62 0.80 0.25 3.56 4.81 -1.43 -0.99 114.58 122.20 3cln h GLU 123 Ca 0.26 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3cln h GLU 123 Cb 0.12 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3cln h GLU 123 CO -0.15 0.69 -0.12 0.52 -0.73 0.00 0.00 179.01 179.22 3cln h MET 124 N 0.78 -0.32 0.38 1.92 2.86 -1.22 -2.34 114.93 117.00 3cln h MET 124 Ca 0.18 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 3cln h MET 124 Cb 0.23 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 3cln h MET 124 CO -0.01 -0.03 -0.51 0.82 1.06 0.00 0.00 176.91 178.24 3cln h ILE 125 N -0.60 0.00 -0.78 -1.22 1.08 -1.10 -3.05 117.51 111.83 3cln h ILE 125 Ca -0.03 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.51 3cln h ILE 125 Cb 0.43 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.08 3cln h ILE 125 CO 0.06 0.00 -0.51 0.03 -0.69 0.00 0.00 178.15 177.03 3cln h ARG 126 N -0.92 -0.06 -1.18 2.37 3.08 -1.21 0.23 114.38 116.69 3cln h ARG 126 Ca -0.05 0.00 0.35 0.00 0.07 0.00 0.00 59.98 60.36 3cln h ARG 126 Cb 0.83 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.79 3cln h ARG 126 CO -0.13 -0.04 0.76 1.49 -1.07 0.00 0.00 179.97 180.98 3cln h GLU 127 N -0.06 0.22 0.00 0.04 4.81 -1.35 -2.09 114.58 116.15 3cln h GLU 127 Ca 0.13 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3cln h GLU 127 Cb 0.39 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3cln h GLU 127 CO -0.77 0.15 -0.78 0.00 -0.73 0.00 0.00 179.01 176.88 3cln n ALA 128 N -2.50 4.11 -2.60 2.92 0.00 0.54 -4.94 120.51 118.05 3cln n ALA 128 Ca 0.31 -0.46 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 3cln n ALA 128 Cb 1.15 -0.59 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 3cln n ALA 128 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3cln s ASN 129 N -2.55 6.46 -0.12 0.00 2.47 0.36 -4.81 114.94 116.74 3cln s ASN 129 Ca 0.06 0.07 -0.06 0.00 0.42 0.00 0.00 52.86 53.35 3cln s ASN 129 Cb 0.12 -2.52 -0.02 0.00 -1.45 0.00 0.00 41.25 37.38 3cln s ASN 129 CO 0.67 -1.37 -0.11 0.40 -3.72 0.00 0.00 177.10 172.96 3cln h ILE 130 N 6.14 0.00 0.00 -5.21 2.04 -1.88 -3.37 117.51 115.23 3cln h ILE 130 Ca -0.25 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.65 3cln h ILE 130 Cb 1.06 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3cln h ILE 130 CO 1.15 0.00 0.00 -0.90 0.00 0.00 0.00 178.15 178.40 3cln n ASP 131 N -4.56 0.00 -3.87 1.72 3.85 -1.26 -4.84 116.55 107.58 3cln n ASP 131 Ca -0.05 -0.49 -0.29 0.00 -0.71 0.00 0.00 54.79 53.26 3cln n ASP 131 Cb 0.17 0.00 0.03 0.00 -1.35 0.00 0.00 41.12 39.97 3cln n ASP 131 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3cln n GLY 132 N -0.21 -0.49 0.43 6.12 0.00 -1.26 -4.90 105.19 104.88 3cln n GLY 132 Ca 0.06 0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.41 3cln n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cln n ASP 133 N -2.87 1.52 -0.02 1.61 3.85 -1.26 -4.93 116.55 114.45 3cln n ASP 133 Ca 0.02 -1.28 -0.00 0.00 -0.71 0.00 0.00 54.79 52.81 3cln n ASP 133 Cb 0.54 0.13 -0.00 0.00 -1.35 0.00 0.00 41.12 40.44 3cln n ASP 133 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3cln n GLY 134 N 1.30 0.47 3.26 6.12 0.00 -1.26 -5.02 105.19 110.06 3cln n GLY 134 Ca 0.14 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 3cln n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cln s GLN 135 N -0.63 1.09 -0.18 1.61 -0.21 -1.26 -4.64 119.66 115.45 3cln s GLN 135 Ca 0.00 -1.47 0.00 0.00 0.02 0.00 0.00 55.36 53.91 3cln s GLN 135 Cb 0.00 -0.65 0.01 0.00 1.00 0.00 0.00 33.01 33.37 3cln s GLN 135 CO 0.00 0.07 -0.16 0.54 -2.12 0.00 0.00 175.29 173.62 3cln s VAL 136 N -3.31 2.43 0.49 1.09 0.11 -0.64 -4.73 120.40 115.84 3cln s VAL 136 Ca 0.18 -0.83 0.09 0.00 -2.93 0.00 0.00 61.98 58.49 3cln s VAL 136 Cb 0.03 -2.04 0.05 0.00 -1.53 0.00 0.00 36.38 32.89 3cln s VAL 136 CO 0.01 0.51 0.67 0.54 -3.33 0.00 0.00 175.10 173.51 3cln s ASN 137 N 1.16 5.38 0.19 3.54 6.03 -1.26 0.34 114.94 130.32 3cln s ASN 137 Ca 0.01 -0.63 -0.13 0.00 -1.03 0.00 0.00 52.86 51.07 3cln s ASN 137 Cb -0.14 -0.19 0.20 0.00 -3.03 0.00 0.00 41.25 38.09 3cln s ASN 137 CO -0.07 -1.04 1.68 0.22 -2.03 0.00 0.00 177.10 175.86 3cln h TYR 138 N 0.42 -0.03 0.13 1.54 3.20 -1.99 0.55 116.97 120.79 3cln h TYR 138 Ca -0.35 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.57 3cln h TYR 138 Cb 1.28 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.61 3cln h TYR 138 CO 0.42 -0.12 -0.29 1.49 -1.64 0.00 0.00 178.16 178.03 3cln h GLU 139 N 0.12 -0.49 -0.81 1.82 4.81 -1.95 0.20 114.58 118.28 3cln h GLU 139 Ca 0.26 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.49 3cln h GLU 139 Cb 0.39 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 3cln h GLU 139 CO -0.42 -0.33 0.38 0.93 -0.73 0.00 0.00 179.01 178.84 3cln h GLU 140 N -0.51 1.17 -0.16 1.92 5.08 -1.67 -3.02 114.58 117.39 3cln h GLU 140 Ca 0.03 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3cln h GLU 140 Cb 0.53 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3cln h GLU 140 CO -0.16 0.91 -0.11 0.35 -1.00 0.00 0.00 179.01 179.00 3cln h PHE 141 N 1.15 -0.28 -0.72 4.33 3.04 0.61 -1.17 116.94 123.91 3cln h PHE 141 Ca 0.28 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.21 3cln h PHE 141 Cb 0.13 0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.76 3cln h PHE 141 CO 0.01 -0.17 0.28 -0.39 -2.02 0.00 0.00 178.31 176.03 3cln h VAL 142 N -0.12 1.24 0.00 1.41 -1.51 -0.92 0.17 116.25 116.54 3cln h VAL 142 Ca 0.10 -0.77 -0.05 0.00 -1.23 0.00 0.00 66.70 64.75 3cln h VAL 142 Cb 0.26 0.39 -0.01 0.00 -2.13 0.00 0.00 31.29 29.80 3cln h VAL 142 CO -0.23 0.31 -0.22 1.56 -1.23 0.00 0.00 177.57 177.76 3cln h GLN 143 N 1.04 0.00 0.16 5.19 4.20 -1.38 -0.34 115.11 123.98 3cln h GLN 143 Ca 0.24 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.63 3cln h GLN 143 Cb 0.20 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.99 3cln h GLN 143 CO -0.02 0.22 -1.52 1.98 -0.67 0.00 0.00 178.83 178.82 3cln h MET 144 N 0.00 0.34 0.15 1.46 4.05 0.09 -2.40 114.93 118.62 3cln h MET 144 Ca -0.00 -0.59 -0.01 0.00 -0.28 0.00 0.00 59.70 58.82 3cln h MET 144 Cb 0.55 0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.57 3cln h MET 144 CO 0.03 1.24 -0.07 0.52 0.23 0.00 0.00 176.91 178.86 3cln h MET 145 N 0.09 -0.20 0.08 0.39 2.86 -0.45 -3.39 114.93 114.32 3cln h MET 145 Ca -0.25 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 3cln h MET 145 Cb 2.06 0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.76 3cln h MET 145 CO 0.20 -0.13 -0.04 1.79 1.06 0.00 0.00 176.91 179.78 3cln h THR 146 N -0.32 1.16 -0.01 2.22 1.35 -1.27 -3.51 112.91 112.53 3cln h THR 146 Ca -0.02 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 3cln h THR 146 Cb 0.16 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 3cln h THR 146 CO 0.03 0.23 0.00 0.00 -0.25 0.00 0.00 175.52 175.54