#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dme s SER 2 N 0.00 6.27 -0.21 1.61 1.04 -1.26 -4.98 113.70 116.18 2dme s SER 2 Ca 0.00 0.31 -0.05 0.00 0.48 0.00 0.00 55.95 56.69 2dme s SER 2 Cb 0.00 -2.11 -0.11 0.00 0.10 0.00 0.00 66.02 63.90 2dme s SER 2 CO 0.00 0.18 -0.23 -1.54 0.98 0.00 0.00 173.24 172.63 2dme n SER 3 N 3.43 1.95 0.00 7.02 3.41 -1.26 -5.08 113.62 123.09 2dme n SER 3 Ca -0.15 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 2dme n SER 3 Cb 0.52 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 2dme n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dme n GLY 4 N 2.07 1.42 2.81 5.00 0.00 -1.26 -4.70 105.19 110.53 2dme n GLY 4 Ca -0.39 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 2dme n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dme s SER 5 N -4.00 1.67 -0.16 1.61 0.01 -1.26 -5.13 113.70 106.44 2dme s SER 5 Ca 0.00 -0.14 -0.02 0.00 1.31 0.00 0.00 55.95 57.10 2dme s SER 5 Cb 0.00 -0.53 -0.02 0.00 0.21 0.00 0.00 66.02 65.68 2dme s SER 5 CO 0.00 -0.16 -0.08 -0.94 0.41 0.00 0.00 173.24 172.46 2dme s SER 6 N 1.82 4.30 0.00 2.44 1.04 -1.26 -4.61 113.70 117.43 2dme s SER 6 Ca 0.04 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.18 2dme s SER 6 Cb -0.12 -1.69 0.00 0.00 0.10 0.00 0.00 66.02 64.30 2dme s SER 6 CO -0.05 0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.90 2dme n GLY 7 N 3.83 -0.83 3.35 7.32 0.00 -1.26 -5.09 105.19 112.50 2dme n GLY 7 Ca -0.18 0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 2dme n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dme n SER 8 N 0.00 -2.40 -0.30 1.61 7.64 -1.26 -4.71 113.62 114.19 2dme n SER 8 Ca 0.00 0.76 -0.04 0.00 1.01 0.00 0.00 58.87 60.60 2dme n SER 8 Cb 0.00 -0.98 0.08 0.00 -1.01 0.00 0.00 64.21 62.30 2dme n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dme h ALA 9 N 0.27 1.04 -0.79 -0.43 0.00 -2.00 -2.43 119.26 114.92 2dme h ALA 9 Ca -0.41 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 54.56 2dme h ALA 9 Cb 1.43 -0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 2dme h ALA 9 CO 0.46 0.47 0.39 -0.44 0.00 0.00 0.00 179.25 180.13 2dme h ASP 10 N 1.11 0.47 0.09 0.00 5.19 -2.00 -1.56 116.42 119.73 2dme h ASP 10 Ca 0.30 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.78 2dme h ASP 10 Cb -0.10 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.42 2dme h ASP 10 CO -0.06 0.23 -0.04 1.56 -3.12 0.00 0.00 179.24 177.80 2dme h GLN 11 N 0.60 -0.12 0.03 3.56 1.08 -1.78 -1.47 115.11 117.01 2dme h GLN 11 Ca 0.41 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.64 2dme h GLN 11 Cb 0.53 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.93 2dme h GLN 11 CO -0.33 0.07 -0.51 0.82 -0.95 0.00 0.00 178.83 177.94 2dme h ILE 12 N -0.30 0.04 -0.31 2.54 2.04 -1.08 0.12 117.51 120.56 2dme h ILE 12 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.91 2dme h ILE 12 Cb 0.25 0.04 -0.06 0.00 -0.74 0.00 0.00 36.82 36.31 2dme h ILE 12 CO 0.02 0.00 -0.09 0.03 0.00 0.00 0.00 178.15 178.11 2dme h ARG 13 N -0.67 -0.02 -0.33 2.37 3.08 -1.33 -2.26 114.38 115.23 2dme h ARG 13 Ca 0.02 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.14 2dme h ARG 13 Cb 0.72 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.70 2dme h ARG 13 CO -0.33 -0.01 -0.21 0.37 -1.07 0.00 0.00 179.97 178.72 2dme h GLN 14 N -0.02 -0.17 -0.67 0.04 5.75 -0.73 -1.34 115.11 117.98 2dme h GLN 14 Ca 0.15 0.01 0.13 0.00 -0.15 0.00 0.00 58.65 58.79 2dme h GLN 14 Cb 0.25 0.04 -0.09 0.00 1.07 0.00 0.00 27.48 28.74 2dme h GLN 14 CO -0.33 -0.11 0.17 1.03 -2.65 0.00 0.00 178.83 176.94 2dme h SER 15 N -0.17 0.05 -0.73 -0.69 0.87 -0.43 -1.24 113.55 111.20 2dme h SER 15 Ca 0.17 0.12 0.16 0.00 -1.23 0.00 0.00 61.79 61.00 2dme h SER 15 Cb 0.43 0.16 -0.13 0.00 -0.44 0.00 0.00 62.40 62.41 2dme h SER 15 CO -0.43 0.01 -0.11 0.58 -0.53 0.00 0.00 176.83 176.35 2dme h VAL 16 N 0.29 0.30 0.04 2.23 2.07 -0.76 0.35 116.25 120.78 2dme h VAL 16 Ca 0.36 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.87 2dme h VAL 16 Cb 0.56 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2dme h VAL 16 CO -0.44 0.01 -0.07 0.03 0.02 0.00 0.00 177.57 177.12 2dme h ARG 17 N 0.04 -0.12 0.30 1.57 3.08 -1.12 -1.04 114.38 117.09 2dme h ARG 17 Ca 0.37 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.43 2dme h ARG 17 Cb 0.61 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 2dme h ARG 17 CO -0.71 -0.08 -0.47 1.25 -1.07 0.00 0.00 179.97 178.90 2dme h HIS 18 N -0.12 -1.32 -0.82 3.04 2.76 -1.41 -2.40 115.15 114.88 2dme h HIS 18 Ca -0.00 0.02 0.14 0.00 -2.20 0.00 0.00 60.37 58.33 2dme h HIS 18 Cb 0.11 0.54 -0.14 0.00 1.55 0.00 0.00 27.41 29.47 2dme h HIS 18 CO -0.23 -0.58 -0.28 0.43 -1.30 0.00 0.00 177.93 175.97 2dme n SER 19 N -5.18 -0.46 0.28 3.26 7.64 0.12 -0.24 113.62 119.04 2dme n SER 19 Ca -0.09 1.43 -0.18 0.00 1.01 0.00 0.00 58.87 61.04 2dme n SER 19 Cb 0.40 -0.36 -0.10 0.00 -1.01 0.00 0.00 64.21 63.14 2dme n SER 19 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2dme h LEU 20 N 0.00 -1.35 -0.61 -3.43 3.38 -0.78 -2.73 115.31 109.80 2dme h LEU 20 Ca 0.32 0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.53 2dme h LEU 20 Cb 0.53 0.45 -0.12 0.00 0.09 0.00 0.00 40.66 41.61 2dme h LEU 20 CO -0.83 -0.64 -0.17 0.50 0.09 0.00 0.00 178.44 177.39 2dme h LYS 21 N -0.96 -0.01 -0.72 1.13 3.64 -0.13 -1.34 116.57 118.18 2dme h LYS 21 Ca -0.05 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.45 2dme h LYS 21 Cb 0.85 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.55 2dme h LYS 21 CO -0.08 -0.01 -0.25 -3.47 -2.27 0.00 0.00 179.45 173.37 2dme n ASP 22 N -5.43 -0.41 0.37 4.20 -0.08 0.01 0.12 116.55 115.33 2dme n ASP 22 Ca 0.07 1.25 -0.15 0.00 -1.51 0.00 0.00 54.79 54.45 2dme n ASP 22 Cb 0.32 -0.31 -0.07 0.00 2.34 0.00 0.00 41.12 43.40 2dme n ASP 22 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2dme h ILE 23 N 0.00 0.00 0.00 5.18 2.04 -1.26 -2.26 117.51 121.21 2dme h ILE 23 Ca 0.28 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.97 2dme h ILE 23 Cb 0.46 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2dme h ILE 23 CO -0.72 0.00 0.25 -0.07 0.00 0.00 0.00 178.15 177.61 2dme h LEU 24 N -1.12 0.00 0.15 1.44 3.38 -0.71 0.32 115.31 118.77 2dme h LEU 24 Ca -0.10 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.67 2dme h LEU 24 Cb 0.73 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.51 2dme h LEU 24 CO 0.16 0.00 -0.88 0.24 0.09 0.00 0.00 178.44 178.05 2dme h MET 25 N 0.00 0.34 0.00 1.13 2.86 0.14 -2.06 114.93 117.33 2dme h MET 25 Ca 0.00 -0.56 0.00 0.00 -2.06 0.00 0.00 59.70 57.08 2dme h MET 25 Cb 0.51 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.37 2dme h MET 25 CO 0.00 1.26 -0.39 1.57 1.06 0.00 0.00 176.91 180.41 2dme h LYS 26 N -0.29 0.00 0.19 1.72 5.09 -0.34 -2.86 116.57 120.08 2dme h LYS 26 Ca -0.15 0.00 -0.34 0.00 0.09 0.00 0.00 60.65 60.25 2dme h LYS 26 Cb 1.69 0.00 0.01 0.00 0.10 0.00 0.00 32.23 34.03 2dme h LYS 26 CO 0.17 0.00 -1.67 0.00 -2.09 0.00 0.00 179.45 175.86 2dme h ARG 27 N 0.00 0.40 -0.01 0.07 2.47 -0.58 -3.03 114.38 113.70 2dme h ARG 27 Ca 0.00 -0.68 -0.18 0.00 -1.26 0.00 0.00 59.98 57.86 2dme h ARG 27 Cb 0.97 0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 29.53 2dme h ARG 27 CO 0.00 1.31 -0.80 1.37 0.56 0.00 0.00 179.97 182.40 2dme h LEU 28 N 0.11 0.21 -0.27 3.04 8.10 -1.47 -1.46 115.31 123.57 2dme h LEU 28 Ca -0.31 -0.16 0.00 0.00 0.11 0.00 0.00 57.88 57.52 2dme h LEU 28 Cb 2.10 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 42.26 2dme h LEU 28 CO 0.19 0.92 0.00 0.00 -4.11 0.00 0.00 178.44 175.45 2dme h THR 29 N 0.10 0.00 0.09 0.15 1.03 -1.63 -3.29 112.91 109.36 2dme h THR 29 Ca -0.03 -0.72 -0.36 0.00 -0.01 0.00 0.00 66.41 65.29 2dme h THR 29 Cb 1.40 1.70 -0.03 0.00 -1.07 0.00 0.00 68.15 70.15 2dme h THR 29 CO 0.12 0.00 -2.03 -0.67 -0.01 0.00 0.00 175.52 172.93 2dme n ASP 30 N -2.79 2.08 -3.66 0.00 2.03 -1.14 -4.96 116.55 108.10 2dme n ASP 30 Ca 0.04 0.17 -0.30 0.00 0.52 0.00 0.00 54.79 55.21 2dme n ASP 30 Cb 0.44 -0.79 0.25 0.00 -0.72 0.00 0.00 41.12 40.30 2dme n ASP 30 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2dme s SER 31 N -6.95 0.93 -0.16 1.67 0.15 -0.56 -4.89 113.70 103.89 2dme s SER 31 Ca -0.26 0.43 -0.00 0.00 0.70 0.00 0.00 55.95 56.83 2dme s SER 31 Cb 0.07 -0.54 0.12 0.00 -1.71 0.00 0.00 66.02 63.97 2dme s SER 31 CO 0.72 -4.10 1.89 0.59 1.20 0.00 0.00 173.24 173.54 2dme n ASN 32 N -4.71 5.51 -4.50 5.45 4.13 -1.26 -4.85 115.26 115.03 2dme n ASN 32 Ca 0.16 -2.70 -0.35 0.00 1.68 0.00 0.00 54.58 53.37 2dme n ASN 32 Cb 0.60 -1.01 -0.12 0.00 -1.54 0.00 0.00 39.78 37.71 2dme n ASN 32 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2dme s LEU 33 N -0.93 3.45 -0.79 3.41 1.43 -1.26 -5.01 118.68 118.98 2dme s LEU 33 Ca 0.16 -0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 2dme s LEU 33 Cb 0.13 -1.88 0.36 0.00 0.03 0.00 0.00 46.19 44.82 2dme s LEU 33 CO 0.00 0.08 1.89 1.17 0.23 0.00 0.00 176.35 179.72 2dme n LYS 34 N 4.17 2.86 -3.47 1.70 0.00 -1.26 -4.67 118.16 117.49 2dme n LYS 34 Ca -0.17 -3.67 -0.33 0.00 0.00 0.00 0.00 58.31 54.13 2dme n LYS 34 Cb 0.52 -2.27 -0.05 0.00 0.00 0.00 0.00 35.03 33.23 2dme n LYS 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2dme s VAL 35 N -5.15 4.98 0.99 3.15 -7.23 -1.26 -5.09 120.40 110.79 2dme s VAL 35 Ca 0.51 0.51 -0.12 0.00 -1.81 0.00 0.00 61.98 61.07 2dme s VAL 35 Cb 0.43 -3.66 0.18 0.00 0.56 0.00 0.00 36.38 33.90 2dme s VAL 35 CO -0.38 0.11 1.09 -2.16 -0.31 0.00 0.00 175.10 173.45 2dme s PRO 36 N -2.36 0.53 0.45 4.82 0.04 -1.26 -4.94 135.00 132.28 2dme s PRO 36 Ca 0.41 0.56 0.23 0.00 0.04 0.00 0.00 61.00 62.23 2dme s PRO 36 Cb -0.13 -1.75 1.04 0.00 0.04 0.00 0.00 34.50 33.71 2dme s PRO 36 CO 0.20 -2.67 1.90 1.49 0.04 0.00 0.00 177.00 177.96 2dme h GLU 37 N -1.85 0.00 -0.31 4.56 4.81 -2.02 -2.78 114.58 116.99 2dme h GLU 37 Ca -0.54 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.61 2dme h GLU 37 Cb 1.32 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 2dme h GLU 37 CO 0.57 0.23 -0.17 1.49 -0.73 0.00 0.00 179.01 180.41 2dme h GLU 38 N 0.00 0.54 -0.02 1.92 4.57 -1.99 -2.96 114.58 116.64 2dme h GLU 38 Ca -0.00 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 2dme h GLU 38 Cb 0.62 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 2dme h GLU 38 CO 0.03 0.69 -0.04 -0.22 -1.18 0.00 0.00 179.01 178.29 2dme h LYS 39 N 0.49 -0.03 0.35 1.92 1.63 -1.86 0.08 116.57 119.15 2dme h LYS 39 Ca 0.08 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 2dme h LYS 39 Cb 0.57 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 2dme h LYS 39 CO 0.04 -0.02 -0.42 0.00 -3.45 0.00 0.00 179.45 175.60 2dme h ALA 40 N -1.29 -1.05 -0.78 5.00 0.00 -1.72 -2.29 119.26 117.13 2dme h ALA 40 Ca 0.00 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 54.93 2dme h ALA 40 Cb 0.05 0.68 -0.15 0.00 0.00 0.00 0.00 17.79 18.37 2dme h ALA 40 CO -0.04 -1.09 -0.17 0.00 0.00 0.00 0.00 179.25 177.95 2dme n ALA 41 N -2.74 0.21 0.14 0.00 0.00 -1.12 0.82 120.51 117.81 2dme n ALA 41 Ca -0.09 0.85 -0.14 0.00 0.00 0.00 0.00 53.44 54.07 2dme n ALA 41 Cb 0.37 -0.52 -0.07 0.00 0.00 0.00 0.00 19.45 19.22 2dme n ALA 41 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2dme h LYS 42 N 0.00 -0.28 0.19 0.00 1.57 -0.56 -1.40 116.57 116.08 2dme h LYS 42 Ca 0.38 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.19 2dme h LYS 42 Cb 0.61 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 2dme h LYS 42 CO -0.79 -0.19 -0.46 0.28 -0.57 0.00 0.00 179.45 177.71 2dme h VAL 43 N -0.29 0.09 -0.57 0.50 2.07 0.96 -0.94 116.25 118.07 2dme h VAL 43 Ca -0.02 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.62 2dme h VAL 43 Cb 0.24 0.09 -0.10 0.00 -1.52 0.00 0.00 31.29 30.00 2dme h VAL 43 CO 0.02 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.58 2dme h ALA 44 N -0.39 0.51 -0.65 1.67 0.00 -1.04 0.15 119.26 119.51 2dme h ALA 44 Ca -0.00 0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.17 2dme h ALA 44 Cb 0.74 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2dme h ALA 44 CO -0.22 -0.40 0.43 1.15 0.00 0.00 0.00 179.25 180.21 2dme h THR 45 N 0.09 0.96 0.03 0.00 2.02 -0.74 -2.43 112.91 112.83 2dme h THR 45 Ca 0.29 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 2dme h THR 45 Cb 0.45 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2dme h THR 45 CO -0.50 0.11 -0.01 0.11 0.37 0.00 0.00 175.52 175.59 2dme h LYS 46 N 0.58 -0.03 -0.69 6.66 6.56 0.61 -3.08 116.57 127.18 2dme h LYS 46 Ca 0.29 0.00 0.13 0.00 -1.06 0.00 0.00 60.65 60.02 2dme h LYS 46 Cb 0.39 0.01 -0.13 0.00 -0.57 0.00 0.00 32.23 31.93 2dme h LYS 46 CO -0.09 0.46 -0.25 0.82 -2.06 0.00 0.00 179.45 178.33 2dme h ILE 47 N -0.54 0.22 0.00 1.86 1.08 -0.68 1.12 117.51 120.56 2dme h ILE 47 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.46 2dme h ILE 47 Cb 0.51 0.22 -0.00 0.00 -3.07 0.00 0.00 36.82 34.47 2dme h ILE 47 CO 0.01 0.00 -0.01 -0.08 -0.69 0.00 0.00 178.15 177.37 2dme h GLU 48 N -0.06 0.00 -0.01 2.37 4.22 -1.55 0.40 114.58 119.95 2dme h GLU 48 Ca 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.73 2dme h GLU 48 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2dme h GLU 48 CO -0.74 0.01 -0.06 -0.22 -2.18 0.00 0.00 179.01 175.82 2dme h LYS 49 N 0.00 0.06 0.01 1.92 3.64 0.13 -3.03 116.57 119.30 2dme h LYS 49 Ca -0.00 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2dme h LYS 49 Cb 0.07 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2dme h LYS 49 CO 0.00 0.74 -0.00 1.05 -2.27 0.00 0.00 179.45 178.97 2dme h GLU 50 N -0.60 -0.01 -0.53 1.90 9.09 -0.83 -3.20 114.58 120.40 2dme h GLU 50 Ca -0.01 0.00 0.06 0.00 0.05 0.00 0.00 59.36 59.46 2dme h GLU 50 Cb 0.75 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 27.76 2dme h GLU 50 CO 0.01 0.84 -0.56 1.25 0.05 0.00 0.00 179.01 180.59 2dme h LEU 51 N -0.92 -1.93 -0.87 3.06 5.85 -0.39 0.76 115.31 120.88 2dme h LEU 51 Ca -0.00 0.26 0.17 0.00 0.84 0.00 0.00 57.88 59.16 2dme h LEU 51 Cb 0.85 0.80 -0.11 0.00 0.37 0.00 0.00 40.66 42.58 2dme h LEU 51 CO 0.00 -0.37 0.42 0.15 -0.34 0.00 0.00 178.44 178.30 2dme h PHE 52 N -0.32 0.72 0.00 1.25 3.57 -1.68 0.27 116.94 120.75 2dme h PHE 52 Ca 0.09 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.53 2dme h PHE 52 Cb 0.56 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 2dme h PHE 52 CO -0.79 0.09 -0.49 1.03 -2.23 0.00 0.00 178.31 175.93 2dme h SER 53 N 0.54 0.00 0.17 0.41 0.87 -0.75 0.41 113.55 115.21 2dme h SER 53 Ca 0.50 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 61.05 2dme h SER 53 Cb 0.81 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.77 2dme h SER 53 CO -0.43 0.49 -0.10 0.15 -0.53 0.00 0.00 176.83 176.41 2dme h PHE 54 N 0.00 -0.27 0.02 2.24 3.57 0.41 -3.27 116.94 119.63 2dme h PHE 54 Ca -0.00 -0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.29 2dme h PHE 54 Cb 0.90 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 2dme h PHE 54 CO 0.00 -0.16 -0.96 0.74 -2.23 0.00 0.00 178.31 175.71 2dme h PHE 55 N -0.26 0.14 -3.10 0.41 0.04 -1.58 -3.48 116.94 109.11 2dme h PHE 55 Ca -0.02 -0.09 -0.34 0.00 2.80 0.00 0.00 57.97 60.31 2dme h PHE 55 Cb 0.20 -0.01 0.02 0.00 2.20 0.00 0.00 35.95 38.36 2dme h PHE 55 CO 0.09 0.98 -0.48 0.54 -0.60 0.00 0.00 178.31 178.84 2dme n ARG 56 N -3.51 -2.67 -3.65 1.51 5.12 0.14 -4.97 116.66 108.64 2dme n ARG 56 Ca -0.02 0.81 -0.01 0.00 -1.93 0.00 0.00 57.85 56.69 2dme n ARG 56 Cb 0.88 -5.31 -0.06 0.00 -1.16 0.00 0.00 32.46 26.80 2dme n ARG 56 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 2dme s ASP 57 N -2.47 -0.26 -0.77 0.55 1.47 -1.25 -5.04 116.67 108.89 2dme s ASP 57 Ca 0.12 0.44 -0.07 0.00 1.18 0.00 0.00 52.55 54.22 2dme s ASP 57 Cb -0.05 0.92 -0.13 0.00 -0.34 0.00 0.00 42.92 43.32 2dme s ASP 57 CO 0.15 -0.07 2.71 0.35 0.68 0.00 0.00 175.17 178.99 2dme n THR 58 N 2.95 2.99 -2.94 2.11 -2.24 -1.26 -4.42 114.28 111.46 2dme n THR 58 Ca -0.16 -1.69 -0.20 0.00 -2.27 0.00 0.00 64.05 59.73 2dme n THR 58 Cb 0.57 -2.19 0.06 0.00 -2.10 0.00 0.00 70.33 66.67 2dme n THR 58 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dme s ASP 59 N 2.55 5.11 0.54 3.42 2.15 -1.26 -4.90 116.67 124.28 2dme s ASP 59 Ca 0.54 -0.64 0.24 0.00 0.43 0.00 0.00 52.55 53.12 2dme s ASP 59 Cb 0.18 -0.02 1.40 0.00 -0.30 0.00 0.00 42.92 44.18 2dme s ASP 59 CO -0.03 -1.29 2.04 0.00 -0.17 0.00 0.00 175.17 175.72 2dme h ALA 60 N 0.16 2.32 -0.06 3.66 0.00 -1.99 0.10 119.26 123.45 2dme h ALA 60 Ca -0.34 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 2dme h ALA 60 Cb 1.28 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2dme h ALA 60 CO 0.42 -0.49 -0.42 1.57 0.00 0.00 0.00 179.25 180.34 2dme h LYS 61 N 0.00 0.13 0.12 0.00 2.10 -1.93 0.16 116.57 117.15 2dme h LYS 61 Ca 0.18 -0.06 -0.16 0.00 -2.00 0.00 0.00 60.65 58.61 2dme h LYS 61 Cb 0.76 -0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.10 2dme h LYS 61 CO -0.00 0.53 -0.71 -0.92 -2.00 0.00 0.00 179.45 176.35 2dme h TYR 62 N 0.11 0.48 -0.40 0.07 3.20 -1.05 -3.25 116.97 116.13 2dme h TYR 62 Ca 0.01 -0.35 -0.14 0.00 3.14 0.00 0.00 58.73 61.39 2dme h TYR 62 Cb 0.79 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 2dme h TYR 62 CO 0.01 1.27 -0.29 0.87 -1.64 0.00 0.00 178.16 178.37 2dme h LYS 63 N -0.44 0.91 -0.81 1.82 1.57 -1.31 -2.54 116.57 115.78 2dme h LYS 63 Ca -0.12 -0.44 0.15 0.00 -1.87 0.00 0.00 60.65 58.37 2dme h LYS 63 Cb 1.55 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.80 2dme h LYS 63 CO 0.13 1.10 0.54 -0.97 -0.57 0.00 0.00 179.45 179.67 2dme h ASN 64 N 0.73 0.47 0.04 0.86 -0.73 -0.80 -0.46 115.58 115.70 2dme h ASN 64 Ca 0.08 0.03 -0.16 0.00 1.87 0.00 0.00 56.30 58.12 2dme h ASN 64 Cb 0.87 -0.06 0.01 0.00 0.27 0.00 0.00 38.32 39.42 2dme h ASN 64 CO 0.08 0.24 -0.66 0.50 -0.37 0.00 0.00 177.43 177.22 2dme h LYS 65 N 0.50 0.38 0.25 6.67 1.63 -1.56 -2.65 116.57 121.79 2dme h LYS 65 Ca 0.40 -0.46 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2dme h LYS 65 Cb 0.85 0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.59 2dme h LYS 65 CO -0.15 1.14 -0.28 -0.92 -3.45 0.00 0.00 179.45 175.79 2dme h TYR 66 N -0.17 -0.74 -0.06 1.91 3.20 -0.87 0.22 116.97 120.44 2dme h TYR 66 Ca -0.09 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.76 2dme h TYR 66 Cb 1.40 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.96 2dme h TYR 66 CO 0.16 -0.40 -0.06 0.07 -1.64 0.00 0.00 178.16 176.29 2dme h ARG 67 N -0.57 0.09 0.43 1.82 0.11 -1.25 -3.03 114.38 111.97 2dme h ARG 67 Ca -0.00 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.04 2dme h ARG 67 Cb 0.54 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.61 2dme h ARG 67 CO -0.08 0.16 -0.20 0.77 0.10 0.00 0.00 179.97 180.72 2dme h SER 68 N 0.09 -0.48 -0.97 0.08 0.02 -0.98 0.36 113.55 111.66 2dme h SER 68 Ca 0.02 0.02 0.40 0.00 -0.84 0.00 0.00 61.79 61.38 2dme h SER 68 Cb 0.17 0.13 -0.18 0.00 0.14 0.00 0.00 62.40 62.66 2dme h SER 68 CO 0.01 -0.12 0.49 0.18 -1.14 0.00 0.00 176.83 176.24 2dme n LEU 69 N -4.77 0.30 0.07 5.07 4.77 0.69 0.23 117.00 123.36 2dme n LEU 69 Ca -0.07 1.62 0.03 0.00 -0.03 0.00 0.00 56.01 57.56 2dme n LEU 69 Cb 0.23 -0.77 -0.05 0.00 -2.33 0.00 0.00 43.42 40.50 2dme n LEU 69 CO 0.17 -1.80 -0.10 0.00 -1.33 0.00 0.00 177.39 174.34 2dme h MET 70 N 0.00 0.00 -0.79 3.23 -0.00 -1.55 -3.29 114.93 112.52 2dme h MET 70 Ca 0.81 0.00 0.19 0.00 -0.00 0.00 0.00 59.70 60.70 2dme h MET 70 Cb 2.11 0.00 -0.13 0.00 -0.00 0.00 0.00 31.60 33.58 2dme h MET 70 CO -0.76 0.26 0.15 0.35 -0.00 0.00 0.00 176.91 176.90 2dme h PHE 71 N 0.00 0.21 0.22 -0.10 3.57 0.72 0.12 116.94 121.68 2dme h PHE 71 Ca -0.10 0.05 -0.32 0.00 3.53 0.00 0.00 57.97 61.13 2dme h PHE 71 Cb 1.43 0.03 0.03 0.00 2.79 0.00 0.00 35.95 40.23 2dme h PHE 71 CO 0.00 -0.17 -1.44 -0.91 -2.23 0.00 0.00 178.31 173.56 2dme h ASN 72 N 0.20 0.72 -0.19 0.41 2.35 -1.67 -3.32 115.58 114.09 2dme h ASN 72 Ca 0.46 -0.93 0.05 0.00 -0.55 0.00 0.00 56.30 55.34 2dme h ASN 72 Cb 0.85 -0.23 -0.07 0.00 0.05 0.00 0.00 38.32 38.92 2dme h ASN 72 CO -0.60 1.68 -0.30 -0.07 -1.65 0.00 0.00 177.43 176.49 2dme h LEU 73 N 0.03 -0.94 -0.55 1.61 3.38 -1.33 0.43 115.31 117.94 2dme h LEU 73 Ca -0.26 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2dme h LEU 73 Cb 2.06 0.42 0.00 0.00 0.09 0.00 0.00 40.66 43.22 2dme h LEU 73 CO 0.23 -0.33 0.00 2.29 0.09 0.00 0.00 178.44 180.71 2dme n LYS 74 N -5.40 0.06 -2.39 1.13 2.85 0.31 -4.66 118.16 110.06 2dme n LYS 74 Ca -0.02 0.55 -0.40 0.00 -1.05 0.00 0.00 58.31 57.38 2dme n LYS 74 Cb 0.32 -1.68 -0.04 0.00 -0.65 0.00 0.00 35.03 32.98 2dme n LYS 74 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2dme s ASP 75 N -3.41 7.15 0.00 -5.58 2.15 0.15 -4.91 116.67 112.22 2dme s ASP 75 Ca -0.01 2.37 0.15 0.00 0.43 0.00 0.00 52.55 55.49 2dme s ASP 75 Cb 0.03 -2.63 0.75 0.00 -0.30 0.00 0.00 42.92 40.76 2dme s ASP 75 CO 0.09 -0.24 1.40 -0.81 -0.17 0.00 0.00 175.17 175.44 2dme n PRO 76 N 1.09 0.22 -0.07 4.34 -0.04 -1.26 -2.77 135.00 136.51 2dme n PRO 76 Ca -0.01 0.14 -0.20 0.00 -0.04 0.00 0.00 63.50 63.39 2dme n PRO 76 Cb 0.44 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.27 2dme n PRO 76 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2dme n LYS 77 N -1.27 0.69 -1.97 0.54 4.76 -1.26 -4.69 118.16 114.96 2dme n LYS 77 Ca 0.07 0.22 -0.31 0.00 -2.87 0.00 0.00 58.31 55.42 2dme n LYS 77 Cb 0.11 -1.61 -0.06 0.00 -1.84 0.00 0.00 35.03 31.64 2dme n LYS 77 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2dme n ASN 78 N -3.44 3.11 -0.08 4.39 4.13 -1.11 -4.54 115.26 117.72 2dme n ASN 78 Ca -0.40 -2.71 -0.13 0.00 1.68 0.00 0.00 54.58 53.02 2dme n ASN 78 Cb 1.00 -1.66 -0.14 0.00 -1.54 0.00 0.00 39.78 37.44 2dme n ASN 78 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2dme n ASN 79 N 13.14 0.97 0.08 6.41 4.13 -1.26 -4.33 115.26 134.39 2dme n ASN 79 Ca 0.46 0.07 -0.09 0.00 1.68 0.00 0.00 54.58 56.71 2dme n ASN 79 Cb 0.46 0.17 -0.09 0.00 -1.54 0.00 0.00 39.78 38.78 2dme n ASN 79 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2dme h ILE 80 N 0.01 1.62 0.14 2.41 2.04 -1.98 -3.13 117.51 118.63 2dme h ILE 80 Ca -0.49 -3.15 -0.00 0.00 1.00 0.00 0.00 64.86 62.22 2dme h ILE 80 Cb 2.08 2.77 -0.02 0.00 -0.74 0.00 0.00 36.82 40.91 2dme h ILE 80 CO 0.02 0.91 -0.24 0.25 0.00 0.00 0.00 178.15 179.09 2dme h LEU 81 N 0.03 -0.68 -0.19 1.44 5.85 -1.92 0.56 115.31 120.41 2dme h LEU 81 Ca -0.04 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.78 2dme h LEU 81 Cb 1.73 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.96 2dme h LEU 81 CO 0.14 -0.28 -0.05 2.19 -0.34 0.00 0.00 178.44 180.10 2dme h PHE 82 N -0.40 -0.10 -0.77 1.25 -0.00 -1.76 -0.97 116.94 114.19 2dme h PHE 82 Ca -0.02 0.02 0.13 0.00 -0.00 0.00 0.00 57.97 58.10 2dme h PHE 82 Cb 0.37 0.07 -0.05 0.00 -0.00 0.00 0.00 35.95 36.34 2dme h PHE 82 CO -0.26 -0.08 0.51 -0.22 -0.00 0.00 0.00 178.31 178.26 2dme h LYS 83 N -0.00 0.54 -0.21 6.09 3.64 -1.46 0.18 116.57 125.35 2dme h LYS 83 Ca 0.09 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 2dme h LYS 83 Cb 0.14 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2dme h LYS 83 CO -0.19 0.36 -0.23 0.87 -2.27 0.00 0.00 179.45 177.98 2dme h LYS 84 N 0.56 0.53 -0.45 1.90 1.57 0.12 0.22 116.57 121.02 2dme h LYS 84 Ca 0.37 -0.29 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 2dme h LYS 84 Cb 0.67 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 2dme h LYS 84 CO -0.14 0.87 -0.15 0.28 -0.57 0.00 0.00 179.45 179.74 2dme h VAL 85 N 0.21 1.27 0.10 0.50 2.07 -0.14 0.22 116.25 120.47 2dme h VAL 85 Ca 0.03 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.28 2dme h VAL 85 Cb 0.79 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2dme h VAL 85 CO 0.06 0.43 -0.05 -0.07 0.02 0.00 0.00 177.57 177.96 2dme h LEU 86 N 0.75 -0.11 -1.29 2.57 4.07 -0.67 -3.29 115.31 117.35 2dme h LEU 86 Ca 0.12 -0.47 0.10 0.00 0.08 0.00 0.00 57.88 57.70 2dme h LEU 86 Cb 0.67 0.03 -0.06 0.00 1.08 0.00 0.00 40.66 42.38 2dme h LEU 86 CO 0.05 0.53 0.54 0.11 -1.08 0.00 0.00 178.44 178.59 2dme h LYS 87 N -0.87 0.76 0.00 1.13 1.79 -0.60 -3.46 116.57 115.32 2dme h LYS 87 Ca -0.01 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2dme h LYS 87 Cb 0.57 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 2dme h LYS 87 CO 0.02 0.50 0.00 0.41 -1.08 0.00 0.00 179.45 179.31 2dme n GLY 88 N -1.43 1.16 0.29 3.86 0.00 -0.35 -5.01 105.19 103.71 2dme n GLY 88 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 2dme n GLY 88 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dme n GLU 89 N 0.00 -0.22 -4.34 1.61 -0.58 0.64 -4.14 120.64 113.61 2dme n GLU 89 Ca 0.00 1.12 -0.35 0.00 -0.42 0.00 0.00 57.16 57.51 2dme n GLU 89 Cb 0.00 -1.65 -0.10 0.00 -0.57 0.00 0.00 31.44 29.12 2dme n GLU 89 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2dme s VAL 90 N -5.58 4.27 0.35 2.62 1.01 -0.30 -4.95 120.40 117.81 2dme s VAL 90 Ca -0.10 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 2dme s VAL 90 Cb 0.13 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 2dme s VAL 90 CO 0.50 0.57 0.63 0.42 0.00 0.00 0.00 175.10 177.21 2dme s THR 91 N -0.48 4.97 -0.93 3.92 -4.23 -1.26 -4.08 115.64 113.54 2dme s THR 91 Ca 0.08 0.14 0.15 0.00 -1.18 0.00 0.00 61.69 60.89 2dme s THR 91 Cb -0.12 -3.77 0.13 0.00 1.34 0.00 0.00 72.50 70.09 2dme s THR 91 CO 0.02 -0.46 1.48 -0.81 -0.54 0.00 0.00 174.62 174.31 2dme n PRO 92 N -1.29 0.02 -0.05 3.99 -0.04 -1.26 -1.03 135.00 135.34 2dme n PRO 92 Ca -0.01 0.28 -0.17 0.00 -0.04 0.00 0.00 63.50 63.56 2dme n PRO 92 Cb 0.54 -1.55 -0.14 0.00 -0.04 0.00 0.00 33.50 32.32 2dme n PRO 92 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2dme n ASP 93 N -1.59 1.60 0.11 3.54 -0.08 -1.26 -4.30 116.55 114.56 2dme n ASP 93 Ca 0.03 0.11 0.03 0.00 -1.51 0.00 0.00 54.79 53.46 2dme n ASP 93 Cb 0.17 -0.35 -0.00 0.00 2.34 0.00 0.00 41.12 43.28 2dme n ASP 93 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 2dme h HIS 94 N 0.03 0.00 -0.13 -0.67 2.76 -1.92 -3.30 115.15 111.92 2dme h HIS 94 Ca -0.46 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 57.74 2dme h HIS 94 Cb 2.02 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.97 2dme h HIS 94 CO 0.04 0.45 0.42 1.25 -1.30 0.00 0.00 177.93 178.78 2dme h LEU 95 N 0.00 0.00 0.00 0.26 5.85 -1.27 -0.97 115.31 119.18 2dme h LEU 95 Ca -0.05 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 2dme h LEU 95 Cb 1.39 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 2dme h LEU 95 CO 0.05 0.00 -0.49 0.40 -0.34 0.00 0.00 178.44 178.06 2dme h ILE 96 N 0.00 1.25 -0.04 4.05 2.04 -1.80 -3.32 117.51 119.69 2dme h ILE 96 Ca 0.06 -2.12 0.01 0.00 1.00 0.00 0.00 64.86 63.81 2dme h ILE 96 Cb 0.89 2.54 -0.00 0.00 -0.74 0.00 0.00 36.82 39.52 2dme h ILE 96 CO -0.00 0.42 0.14 0.03 0.00 0.00 0.00 178.15 178.75 2dme h ARG 97 N -1.00 0.00 -6.55 2.37 3.08 -1.38 -3.43 114.38 107.46 2dme h ARG 97 Ca -0.13 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.36 2dme h ARG 97 Cb 1.01 0.00 0.19 0.00 0.08 0.00 0.00 29.97 31.26 2dme h ARG 97 CO -0.08 0.00 -0.61 -1.33 -1.07 0.00 0.00 179.97 176.88 2dme n MET 98 N -3.21 0.19 -3.89 0.04 2.81 -0.69 -4.98 117.12 107.38 2dme n MET 98 Ca -0.02 0.10 -0.25 0.00 -1.81 0.00 0.00 57.70 55.72 2dme n MET 98 Cb 0.22 -1.68 -0.03 0.00 -0.71 0.00 0.00 33.22 31.02 2dme n MET 98 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2dme s SER 99 N -1.44 6.34 0.41 7.83 0.01 -1.26 -5.01 113.70 120.58 2dme s SER 99 Ca 0.62 0.19 0.20 0.00 1.31 0.00 0.00 55.95 58.26 2dme s SER 99 Cb -0.34 -1.92 0.87 0.00 0.21 0.00 0.00 66.02 64.85 2dme s SER 99 CO 0.62 -0.01 1.83 1.55 0.41 0.00 0.00 173.24 177.63 2dme h PRO 100 N 1.77 0.00 0.00 12.44 0.13 -1.97 -1.65 132.00 142.72 2dme h PRO 100 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2dme h PRO 100 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dme h PRO 100 CO 0.66 0.31 -0.25 1.49 -0.23 0.00 0.00 178.00 179.98 2dme h GLU 101 N 0.00 0.00 0.10 0.86 4.81 -2.03 -3.33 114.58 114.99 2dme h GLU 101 Ca -0.00 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 2dme h GLU 101 Cb 0.72 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 2dme h GLU 101 CO 0.04 0.00 -1.90 0.39 -0.73 0.00 0.00 179.01 176.81 2dme n GLU 102 N -2.74 0.72 -0.41 1.92 -0.58 -1.02 -3.95 120.64 114.58 2dme n GLU 102 Ca 0.04 0.31 0.40 0.00 -0.42 0.00 0.00 57.16 57.48 2dme n GLU 102 Cb 0.50 -1.71 0.70 0.00 -0.57 0.00 0.00 31.44 30.37 2dme n GLU 102 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2dme h LEU 103 N -0.13 0.00 0.15 -4.62 3.38 -1.42 1.21 115.31 113.87 2dme h LEU 103 Ca -0.42 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.23 2dme h LEU 103 Cb 1.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.65 2dme h LEU 103 CO 0.02 0.00 -1.55 0.00 0.09 0.00 0.00 178.44 177.00 2dme h ALA 104 N 1.03 0.20 -1.94 1.53 0.00 -1.73 -3.48 119.26 114.87 2dme h ALA 104 Ca 0.66 -1.08 -0.58 0.00 0.00 0.00 0.00 54.91 53.92 2dme h ALA 104 Cb 2.94 0.29 0.18 0.00 0.00 0.00 0.00 17.79 21.19 2dme h ALA 104 CO -0.01 1.06 -1.12 -1.13 0.00 0.00 0.00 179.25 178.05 2dme n SER 105 N -3.51 -3.57 -0.02 0.00 3.41 0.42 -4.93 113.62 105.42 2dme n SER 105 Ca -0.17 0.64 -0.03 0.00 -0.26 0.00 0.00 58.87 59.04 2dme n SER 105 Cb 1.05 -0.82 -0.02 0.00 -0.26 0.00 0.00 64.21 64.16 2dme n SER 105 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2dme n LYS 106 N 1.47 0.73 -1.11 4.33 4.81 -1.26 -4.99 118.16 122.14 2dme n LYS 106 Ca 0.08 0.02 -0.41 0.00 -0.87 0.00 0.00 58.31 57.13 2dme n LYS 106 Cb 0.46 -1.08 -0.04 0.00 0.02 0.00 0.00 35.03 34.38 2dme n LYS 106 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2dme n GLU 107 N -2.53 0.00 -0.13 1.64 4.71 -1.26 -4.90 120.64 118.18 2dme n GLU 107 Ca -0.07 0.00 -0.25 0.00 -0.01 0.00 0.00 57.16 56.84 2dme n GLU 107 Cb 0.58 -0.96 -0.09 0.00 -1.01 0.00 0.00 31.44 29.96 2dme n GLU 107 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2dme n LEU 108 N 1.32 1.94 -0.48 -4.62 4.77 -1.26 -4.35 117.00 114.33 2dme n LEU 108 Ca 0.15 0.36 0.41 0.00 -0.03 0.00 0.00 56.01 56.90 2dme n LEU 108 Cb 0.12 -0.82 0.64 0.00 -2.33 0.00 0.00 43.42 41.03 2dme n LEU 108 CO 0.45 0.37 1.38 0.00 -1.33 0.00 0.00 177.39 178.26 2dme h ALA 109 N -0.94 3.46 -0.84 -1.18 0.00 -1.91 0.77 119.26 118.61 2dme h ALA 109 Ca -0.52 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 54.51 2dme h ALA 109 Cb 1.44 0.12 -0.16 0.00 0.00 0.00 0.00 17.79 19.19 2dme h ALA 109 CO -0.32 -2.12 -0.16 0.00 0.00 0.00 0.00 179.25 176.65 2dme h ALA 110 N 0.78 0.64 -2.40 0.00 0.00 -1.94 -3.41 119.26 112.92 2dme h ALA 110 Ca 0.73 0.32 -0.56 0.00 0.00 0.00 0.00 54.91 55.39 2dme h ALA 110 Cb 3.39 0.61 0.19 0.00 0.00 0.00 0.00 17.79 21.97 2dme h ALA 110 CO -0.01 -0.42 -0.52 0.91 0.00 0.00 0.00 179.25 179.22 2dme n TRP 111 N -5.51 -1.14 -0.29 0.00 5.03 0.26 -4.88 117.44 110.92 2dme n TRP 111 Ca 0.13 0.35 -0.05 0.00 3.03 0.00 0.00 57.50 60.96 2dme n TRP 111 Cb 0.46 -1.88 0.07 0.00 -1.03 0.00 0.00 31.31 28.93 2dme n TRP 111 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 2dme h ARG 112 N -0.34 1.11 -5.96 -0.99 9.65 -1.90 -3.41 114.38 112.54 2dme h ARG 112 Ca -0.45 -0.14 -0.59 0.00 -1.10 0.00 0.00 59.98 57.70 2dme h ARG 112 Cb 1.36 -0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 29.72 2dme h ARG 112 CO 0.42 0.83 1.50 -2.13 2.80 0.00 0.00 179.97 183.39 2dme n ARG 113 N -4.41 1.83 -1.69 0.20 0.63 -1.26 -4.86 116.66 107.10 2dme n ARG 113 Ca 0.07 0.48 -0.51 0.00 -0.92 0.00 0.00 57.85 56.98 2dme n ARG 113 Cb 0.10 -3.18 -0.05 0.00 0.45 0.00 0.00 32.46 29.78 2dme n ARG 113 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2dme n ARG 114 N 8.73 1.90 -1.87 -0.14 3.00 -1.26 -4.84 116.66 122.17 2dme n ARG 114 Ca 0.31 0.70 -0.43 0.00 -0.00 0.00 0.00 57.85 58.43 2dme n ARG 114 Cb 0.43 -2.49 -0.03 0.00 0.00 0.00 0.00 32.46 30.37 2dme n ARG 114 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2dme s SER 115 N 3.72 5.83 1.09 6.15 0.15 -1.26 -4.97 113.70 124.42 2dme s SER 115 Ca 0.93 1.58 -0.14 0.00 0.70 0.00 0.00 55.95 59.02 2dme s SER 115 Cb -0.79 -2.52 0.24 0.00 -1.71 0.00 0.00 66.02 61.23 2dme s SER 115 CO 0.54 -1.71 1.08 -0.83 1.20 0.00 0.00 173.24 173.53 2dme s GLY 116 N 6.50 1.56 0.18 9.45 0.00 -1.26 -4.96 107.32 118.78 2dme s GLY 116 Ca 0.86 -0.50 -0.06 0.00 0.00 0.00 0.00 44.72 45.02 2dme s GLY 116 CO 0.34 0.21 1.53 -0.56 0.00 0.00 0.00 173.10 174.62 2dme h PRO 117 N -2.24 0.76 -0.41 2.90 0.13 -2.00 -3.24 132.00 127.90 2dme h PRO 117 Ca -0.54 -0.40 0.09 0.00 -0.87 0.00 0.00 66.00 64.28 2dme h PRO 117 Cb 1.33 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.39 2dme h PRO 117 CO 0.51 1.02 -0.16 1.03 -0.23 0.00 0.00 178.00 180.17 2dme h SER 118 N 0.62 -0.55 -3.39 1.44 0.87 -2.02 -3.38 113.55 107.15 2dme h SER 118 Ca 0.05 0.14 -0.64 0.00 -1.23 0.00 0.00 61.79 60.11 2dme h SER 118 Cb 0.96 0.32 -0.23 0.00 -0.44 0.00 0.00 62.40 63.00 2dme h SER 118 CO 0.09 -0.19 -0.68 -0.44 -0.53 0.00 0.00 176.83 175.08 2dme s SER 119 N -5.17 4.71 0.00 6.23 0.01 -1.22 -5.29 113.70 112.97 2dme s SER 119 Ca -0.14 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 56.91 2dme s SER 119 Cb 0.15 -1.79 0.00 0.00 0.21 0.00 0.00 66.02 64.59 2dme s SER 119 CO 0.71 0.09 0.00 0.61 0.41 0.00 0.00 173.24 175.06