#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 7.08 -0.31 1.61 0.01 -1.26 -5.04 113.70 115.79 2dme s SER 2 Ca 0.00 1.29 -0.08 0.00 1.31 0.00 0.00 55.95 58.47 2dme s SER 2 Cb 0.00 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2dme s SER 2 CO 0.00 -0.11 0.12 -0.44 0.41 0.00 0.00 173.24 173.22 2dme s SER 3 N 0.65 5.34 0.00 2.44 0.01 -1.26 -4.99 113.70 115.89 2dme s SER 3 Ca 0.39 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 56.99 2dme s SER 3 Cb -0.19 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.10 2dme s SER 3 CO 0.20 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.25 2dme n GLY 4 N 4.92 2.13 2.56 3.44 0.00 -1.26 -4.99 105.19 112.00 2dme n GLY 4 Ca -0.14 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 2dme n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dme n SER 5 N 0.00 7.13 -4.51 1.61 3.41 -1.26 -4.94 113.62 115.05 2dme n SER 5 Ca 0.00 -3.80 -0.42 0.00 -0.26 0.00 0.00 58.87 54.39 2dme n SER 5 Cb 0.00 -0.91 -0.03 0.00 -0.26 0.00 0.00 64.21 63.01 2dme n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dme s SER 6 N -1.83 6.30 0.00 4.04 0.01 -1.26 -4.54 113.70 116.42 2dme s SER 6 Ca 0.57 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.79 2dme s SER 6 Cb 0.46 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 64.19 2dme s SER 6 CO -0.19 -1.55 0.00 0.61 0.41 0.00 0.00 173.24 172.52 2dme n GLY 7 N 5.72 0.00 3.74 3.44 0.00 -1.26 -5.11 105.19 111.73 2dme n GLY 7 Ca 0.11 0.33 -0.37 0.00 0.00 0.00 0.00 46.02 46.08 2dme n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dme s SER 8 N 1.78 5.03 0.07 1.61 1.04 -1.26 -4.87 113.70 117.09 2dme s SER 8 Ca 0.00 2.56 -0.35 0.00 0.48 0.00 0.00 55.95 58.64 2dme s SER 8 Cb 0.00 -2.61 -0.19 0.00 0.10 0.00 0.00 66.02 63.31 2dme s SER 8 CO 0.00 -1.71 1.60 0.00 0.98 0.00 0.00 173.24 174.11 2dme h ALA 9 N 0.94 -1.09 -0.93 5.32 0.00 -1.98 -2.03 119.26 119.51 2dme h ALA 9 Ca -0.51 -0.23 0.14 0.00 0.00 0.00 0.00 54.91 54.31 2dme h ALA 9 Cb 1.31 0.45 -0.15 0.00 0.00 0.00 0.00 17.79 19.40 2dme h ALA 9 CO 0.55 -1.12 -0.41 0.22 0.00 0.00 0.00 179.25 178.50 2dme h ASP 10 N -1.08 -1.48 0.02 0.00 3.58 -2.00 0.96 116.42 116.43 2dme h ASP 10 Ca -0.10 0.30 0.02 0.00 0.42 0.00 0.00 57.03 57.67 2dme h ASP 10 Cb 0.84 0.75 -0.03 0.00 1.72 0.00 0.00 39.33 42.61 2dme h ASP 10 CO 0.15 -0.29 -0.19 -0.61 -2.88 0.00 0.00 179.24 175.43 2dme h GLN 11 N -0.03 -0.31 -0.46 0.28 5.75 -1.90 -0.75 115.11 117.68 2dme h GLN 11 Ca 0.31 0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.90 2dme h GLN 11 Cb 0.57 0.07 -0.09 0.00 1.07 0.00 0.00 27.48 29.10 2dme h GLN 11 CO -0.93 -0.21 -0.45 0.82 -2.65 0.00 0.00 178.83 175.41 2dme h ILE 12 N -0.32 0.09 -0.18 2.39 2.04 -0.10 -1.19 117.51 120.24 2dme h ILE 12 Ca 0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.94 2dme h ILE 12 Cb 0.38 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 2dme h ILE 12 CO -0.16 0.00 -0.03 0.03 0.00 0.00 0.00 178.15 177.98 2dme h ARG 13 N -0.30 0.01 -0.69 2.37 3.08 -0.99 -2.70 114.38 115.16 2dme h ARG 13 Ca 0.14 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.31 2dme h ARG 13 Cb 0.58 -0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.50 2dme h ARG 13 CO -0.61 0.01 -0.36 0.37 -1.07 0.00 0.00 179.97 178.30 2dme h GLN 14 N 0.01 -0.12 -0.85 0.04 4.15 0.01 0.27 115.11 118.62 2dme h GLN 14 Ca 0.09 0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.64 2dme h GLN 14 Cb 0.12 0.03 -0.09 0.00 0.21 0.00 0.00 27.48 27.76 2dme h GLN 14 CO -0.17 -0.08 0.46 1.03 -1.93 0.00 0.00 178.83 178.14 2dme h SER 15 N -0.13 0.61 0.17 -0.69 0.87 -1.00 -2.16 113.55 111.22 2dme h SER 15 Ca 0.25 0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.90 2dme h SER 15 Cb 0.56 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 2dme h SER 15 CO -0.76 0.29 -0.31 0.58 -0.53 0.00 0.00 176.83 176.10 2dme h VAL 16 N 0.70 0.33 0.17 2.23 2.07 -0.24 0.41 116.25 121.93 2dme h VAL 16 Ca 0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.97 2dme h VAL 16 Cb 0.55 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2dme h VAL 16 CO -0.32 0.00 -0.34 0.03 0.02 0.00 0.00 177.57 176.96 2dme h ARG 17 N -0.57 -0.53 -0.25 1.57 3.08 -0.77 -0.65 114.38 116.27 2dme h ARG 17 Ca 0.02 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.14 2dme h ARG 17 Cb 0.58 0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.68 2dme h ARG 17 CO -0.15 -0.35 -0.49 1.25 -1.07 0.00 0.00 179.97 179.15 2dme h HIS 18 N -0.55 -1.49 -0.65 3.04 2.76 -1.37 -1.30 115.15 115.59 2dme h HIS 18 Ca -0.02 0.06 0.07 0.00 -2.20 0.00 0.00 60.37 58.29 2dme h HIS 18 Cb 0.52 0.68 -0.10 0.00 1.55 0.00 0.00 27.41 30.06 2dme h HIS 18 CO -0.32 -0.46 -0.54 1.03 -1.30 0.00 0.00 177.93 176.33 2dme h SER 19 N -0.44 -1.89 -0.52 3.26 0.87 -0.79 0.33 113.55 114.37 2dme h SER 19 Ca 0.05 0.27 0.09 0.00 -1.23 0.00 0.00 61.79 60.97 2dme h SER 19 Cb 0.57 0.82 -0.10 0.00 -0.44 0.00 0.00 62.40 63.24 2dme h SER 19 CO -0.46 -0.33 -0.35 -0.07 -0.53 0.00 0.00 176.83 175.08 2dme h LEU 20 N -0.23 -1.19 -1.37 2.23 3.38 -0.54 0.22 115.31 117.81 2dme h LEU 20 Ca 0.13 0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.35 2dme h LEU 20 Cb 0.53 0.57 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 2dme h LEU 20 CO -0.74 -0.32 0.46 0.50 0.09 0.00 0.00 178.44 178.43 2dme h LYS 21 N -0.21 0.80 -0.55 1.13 3.64 0.00 -2.12 116.57 119.26 2dme h LYS 21 Ca 0.20 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.61 2dme h LYS 21 Cb 0.55 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.13 2dme h LYS 21 CO -0.63 0.53 0.23 0.22 -2.27 0.00 0.00 179.45 177.52 2dme h ASP 22 N 0.82 0.26 0.51 4.20 3.58 0.29 -0.26 116.42 125.83 2dme h ASP 22 Ca 0.28 0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.76 2dme h ASP 22 Cb 0.08 0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.16 2dme h ASP 22 CO -0.08 0.17 -0.25 0.40 -2.88 0.00 0.00 179.24 176.60 2dme h ILE 23 N 0.42 0.00 -0.25 2.25 2.04 -0.74 -2.78 117.51 118.45 2dme h ILE 23 Ca 0.27 -0.28 0.07 0.00 1.00 0.00 0.00 64.86 65.92 2dme h ILE 23 Cb 0.28 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 2dme h ILE 23 CO -0.25 0.00 0.61 -0.07 0.00 0.00 0.00 178.15 178.44 2dme h LEU 24 N -0.97 0.00 -0.02 1.44 3.38 -1.37 0.36 115.31 118.12 2dme h LEU 24 Ca -0.07 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 2dme h LEU 24 Cb 0.53 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.29 2dme h LEU 24 CO 0.12 0.00 -0.47 0.24 0.09 0.00 0.00 178.44 178.42 2dme h MET 25 N 0.00 0.35 0.00 1.13 2.86 -0.88 0.07 114.93 118.46 2dme h MET 25 Ca 0.12 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2dme h MET 25 Cb 1.34 0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.09 2dme h MET 25 CO -0.00 1.03 0.00 0.36 1.06 0.00 0.00 176.91 179.36 2dme n LYS 26 N -4.32 0.13 -0.05 1.72 -0.00 0.11 -1.76 118.16 114.00 2dme n LYS 26 Ca -0.10 0.12 -0.20 0.00 -0.00 0.00 0.00 58.31 58.13 2dme n LYS 26 Cb 0.60 -1.66 -0.13 0.00 -0.00 0.00 0.00 35.03 33.84 2dme n LYS 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2dme n ARG 27 N -1.88 0.71 0.08 -1.58 5.12 0.04 -3.68 116.66 115.46 2dme n ARG 27 Ca 0.06 0.21 -0.22 0.00 -1.93 0.00 0.00 57.85 55.98 2dme n ARG 27 Cb 0.38 -1.63 -0.13 0.00 -1.16 0.00 0.00 32.46 29.92 2dme n ARG 27 CO 0.00 0.00 0.00 1.37 -1.93 0.00 0.00 177.63 177.07 2dme h LEU 28 N 0.04 0.83 -1.51 0.55 8.10 -1.03 -0.52 115.31 121.77 2dme h LEU 28 Ca -0.48 -0.82 0.00 0.00 0.11 0.00 0.00 57.88 56.69 2dme h LEU 28 Cb 1.99 -0.26 0.00 0.00 -0.44 0.00 0.00 40.66 41.95 2dme h LEU 28 CO 0.02 1.56 0.00 0.00 -4.11 0.00 0.00 178.44 175.91 2dme h THR 29 N 0.20 0.00 0.00 0.15 1.03 -1.54 -2.63 112.91 110.12 2dme h THR 29 Ca -0.17 -0.38 -0.36 0.00 -0.01 0.00 0.00 66.41 65.49 2dme h THR 29 Cb 1.82 1.32 -0.07 0.00 -1.07 0.00 0.00 68.15 70.15 2dme h THR 29 CO 0.22 0.00 -2.29 -0.67 -0.01 0.00 0.00 175.52 172.77 2dme n ASP 30 N -2.90 0.17 -3.89 0.00 2.03 -1.21 -4.89 116.55 105.86 2dme n ASP 30 Ca 0.00 0.06 -0.19 0.00 0.52 0.00 0.00 54.79 55.19 2dme n ASP 30 Cb 0.25 0.81 0.11 0.00 -0.72 0.00 0.00 41.12 41.57 2dme n ASP 30 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2dme n SER 31 N -2.81 0.87 -1.89 1.67 7.64 -0.21 -4.94 113.62 113.96 2dme n SER 31 Ca -0.31 -1.79 -0.10 0.00 1.01 0.00 0.00 58.87 57.68 2dme n SER 31 Cb 1.14 -0.56 -0.10 0.00 -1.01 0.00 0.00 64.21 63.69 2dme n SER 31 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2dme n ASN 32 N -3.06 5.44 -0.02 6.43 5.03 -1.26 -4.17 115.26 123.65 2dme n ASN 32 Ca 0.13 -2.55 -0.03 0.00 0.87 0.00 0.00 54.58 53.00 2dme n ASN 32 Cb 0.46 -1.30 -0.01 0.00 -1.02 0.00 0.00 39.78 37.91 2dme n ASN 32 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2dme n LEU 33 N 1.95 0.69 -2.62 3.41 4.77 -1.23 -5.00 117.00 118.98 2dme n LEU 33 Ca 0.30 0.11 -0.19 0.00 -0.03 0.00 0.00 56.01 56.20 2dme n LEU 33 Cb 0.74 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2dme n LEU 33 CO 0.12 -0.46 -0.17 0.29 -1.33 0.00 0.00 177.39 175.83 2dme n LYS 34 N -3.18 -2.65 -2.44 3.23 5.02 -1.01 -4.95 118.16 112.17 2dme n LYS 34 Ca -0.04 0.86 -0.33 0.00 -2.02 0.00 0.00 58.31 56.77 2dme n LYS 34 Cb 0.15 -5.56 -0.03 0.00 -0.02 0.00 0.00 35.03 29.57 2dme n LYS 34 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2dme s VAL 35 N -2.97 3.90 0.27 -0.18 -7.23 -1.26 -5.01 120.40 107.92 2dme s VAL 35 Ca 0.10 1.09 -0.29 0.00 -1.81 0.00 0.00 61.98 61.07 2dme s VAL 35 Cb -0.04 -3.47 -0.10 0.00 0.56 0.00 0.00 36.38 33.33 2dme s VAL 35 CO 0.12 -0.34 1.25 -2.16 -0.31 0.00 0.00 175.10 173.66 2dme s PRO 36 N -3.49 4.44 0.38 4.82 0.04 -1.26 -4.88 135.00 135.06 2dme s PRO 36 Ca 0.65 2.05 0.27 0.00 0.04 0.00 0.00 61.00 64.01 2dme s PRO 36 Cb -0.15 -3.14 1.32 0.00 0.04 0.00 0.00 34.50 32.57 2dme s PRO 36 CO 0.24 -0.11 1.43 -1.91 0.04 0.00 0.00 177.00 176.69 2dme n GLU 37 N 1.54 -0.04 -0.19 4.56 2.13 -1.26 0.10 120.64 127.48 2dme n GLU 37 Ca 0.02 1.17 0.00 0.00 0.66 0.00 0.00 57.16 59.01 2dme n GLU 37 Cb 0.43 -2.25 0.09 0.00 0.27 0.00 0.00 31.44 29.98 2dme n GLU 37 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2dme h GLU 38 N 0.00 0.14 0.77 5.31 4.22 -1.98 0.28 114.58 123.31 2dme h GLU 38 Ca 0.79 -0.01 -0.03 0.00 0.08 0.00 0.00 59.36 60.19 2dme h GLU 38 Cb 2.44 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 31.66 2dme h GLU 38 CO -0.50 0.09 -0.46 -0.22 -2.18 0.00 0.00 179.01 175.74 2dme h LYS 39 N 0.14 -1.10 0.14 1.92 1.63 0.33 0.16 116.57 119.79 2dme h LYS 39 Ca 0.31 0.08 0.02 0.00 -0.85 0.00 0.00 60.65 60.20 2dme h LYS 39 Cb 0.48 0.25 -0.04 0.00 -0.60 0.00 0.00 32.23 32.32 2dme h LYS 39 CO -0.48 -0.73 -0.45 0.00 -3.45 0.00 0.00 179.45 174.34 2dme h ALA 40 N -1.26 -0.82 0.07 5.00 0.00 -1.46 -2.28 119.26 118.52 2dme h ALA 40 Ca -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2dme h ALA 40 Cb 0.91 0.74 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 2dme h ALA 40 CO 0.11 -1.03 -0.19 0.00 0.00 0.00 0.00 179.25 178.15 2dme h ALA 41 N -0.28 -0.76 -0.70 0.00 0.00 -0.46 -1.31 119.26 115.75 2dme h ALA 41 Ca 0.01 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.96 2dme h ALA 41 Cb 0.71 0.57 -0.10 0.00 0.00 0.00 0.00 17.79 18.97 2dme h ALA 41 CO -0.24 -0.80 -0.33 1.63 0.00 0.00 0.00 179.25 179.51 2dme n LYS 42 N -3.53 -0.22 0.17 0.00 5.02 0.55 0.22 118.16 120.37 2dme n LYS 42 Ca -0.03 1.08 -0.15 0.00 -2.02 0.00 0.00 58.31 57.19 2dme n LYS 42 Cb 0.15 -1.59 -0.07 0.00 -0.02 0.00 0.00 35.03 33.50 2dme n LYS 42 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2dme h VAL 43 N 0.00 0.27 -0.79 -0.18 2.07 -1.11 -2.46 116.25 114.04 2dme h VAL 43 Ca 0.19 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.89 2dme h VAL 43 Cb 0.37 0.27 -0.14 0.00 -1.52 0.00 0.00 31.29 30.27 2dme h VAL 43 CO -0.68 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 176.87 2dme h ALA 44 N -0.14 0.77 -0.67 1.67 0.00 0.95 0.69 119.26 122.54 2dme h ALA 44 Ca -0.00 0.27 0.12 0.00 0.00 0.00 0.00 54.91 55.30 2dme h ALA 44 Cb 0.64 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2dme h ALA 44 CO -0.13 -0.44 0.45 1.15 0.00 0.00 0.00 179.25 180.28 2dme h THR 45 N 0.07 0.84 -0.07 0.00 2.02 -0.66 -1.66 112.91 113.44 2dme h THR 45 Ca 0.43 -0.14 -0.15 0.00 0.77 0.00 0.00 66.41 67.32 2dme h THR 45 Cb 0.75 0.41 0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2dme h THR 45 CO -0.73 0.07 -0.53 0.11 0.37 0.00 0.00 175.52 174.80 2dme h LYS 46 N 0.40 0.49 -0.90 6.66 6.56 0.62 -3.08 116.57 127.32 2dme h LYS 46 Ca 0.32 -0.43 0.09 0.00 -1.06 0.00 0.00 60.65 59.57 2dme h LYS 46 Cb 0.70 0.10 -0.12 0.00 -0.57 0.00 0.00 32.23 32.34 2dme h LYS 46 CO -0.09 1.07 -0.49 -0.89 -2.06 0.00 0.00 179.45 176.99 2dme n ILE 47 N -4.23 -0.58 -0.18 1.86 2.08 -0.47 0.61 119.36 118.45 2dme n ILE 47 Ca -0.09 2.16 -0.06 0.00 0.56 0.00 0.00 62.75 65.32 2dme n ILE 47 Cb 0.62 -2.71 0.10 0.00 -0.75 0.00 0.00 39.64 36.90 2dme n ILE 47 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2dme h GLU 48 N 0.00 0.97 -1.03 0.38 3.07 -1.66 -1.74 114.58 114.56 2dme h GLU 48 Ca 0.18 -0.26 0.26 0.00 -0.50 0.00 0.00 59.36 59.04 2dme h GLU 48 Cb 0.41 -0.11 -0.09 0.00 -0.84 0.00 0.00 28.75 28.12 2dme h GLU 48 CO -0.85 0.92 0.67 -0.22 -1.40 0.00 0.00 179.01 178.12 2dme h LYS 49 N 0.90 0.38 0.01 2.33 3.64 0.27 0.93 116.57 125.03 2dme h LYS 49 Ca 0.18 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.36 2dme h LYS 49 Cb 0.46 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2dme h LYS 49 CO 0.02 0.25 -0.92 1.49 -2.27 0.00 0.00 179.45 178.01 2dme h GLU 50 N 0.39 0.02 0.07 1.90 4.22 -0.91 -3.32 114.58 116.94 2dme h GLU 50 Ca 0.58 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 60.00 2dme h GLU 50 Cb 1.49 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.73 2dme h GLU 50 CO -0.28 1.01 -0.23 1.25 -2.18 0.00 0.00 179.01 178.59 2dme h LEU 51 N -0.95 -0.67 -1.21 1.64 5.85 -0.65 0.95 115.31 120.26 2dme h LEU 51 Ca -0.25 0.07 0.40 0.00 0.84 0.00 0.00 57.88 58.94 2dme h LEU 51 Cb 1.25 0.24 -0.14 0.00 0.37 0.00 0.00 40.66 42.38 2dme h LEU 51 CO -0.13 -0.24 0.71 0.15 -0.34 0.00 0.00 178.44 178.58 2dme h PHE 52 N -0.34 0.70 0.00 1.25 3.57 -1.06 1.78 116.94 122.84 2dme h PHE 52 Ca -0.01 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.36 2dme h PHE 52 Cb 0.33 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2dme h PHE 52 CO -0.33 -0.26 -0.83 1.03 -2.23 0.00 0.00 178.31 175.69 2dme h SER 53 N 0.13 0.00 -0.17 0.41 0.87 -1.37 0.47 113.55 113.90 2dme h SER 53 Ca 0.80 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 61.29 2dme h SER 53 Cb 2.26 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 64.21 2dme h SER 53 CO -0.54 0.75 -0.16 0.15 -0.53 0.00 0.00 176.83 176.49 2dme h PHE 54 N 0.00 0.49 0.00 2.24 3.57 1.04 -3.31 116.94 120.97 2dme h PHE 54 Ca -0.03 -0.15 -0.23 0.00 3.53 0.00 0.00 57.97 61.09 2dme h PHE 54 Cb 1.59 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 40.19 2dme h PHE 54 CO 0.00 0.78 -1.81 1.19 -2.23 0.00 0.00 178.31 176.25 2dme n PHE 55 N -4.51 0.61 -2.96 0.41 3.72 0.07 -4.98 117.46 109.80 2dme n PHE 55 Ca -0.06 0.21 -0.21 0.00 -0.05 0.00 0.00 57.45 57.34 2dme n PHE 55 Cb 0.38 -1.02 0.03 0.00 -0.94 0.00 0.00 39.48 37.93 2dme n PHE 55 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2dme n ARG 56 N -2.81 -4.58 -3.61 -1.08 1.74 0.16 -4.96 116.66 101.52 2dme n ARG 56 Ca -0.17 0.85 -0.05 0.00 -0.77 0.00 0.00 57.85 57.71 2dme n ARG 56 Cb 0.94 -5.58 -0.04 0.00 -1.02 0.00 0.00 32.46 26.76 2dme n ARG 56 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 2dme s ASP 57 N -2.73 -0.16 -0.72 0.55 -4.77 -1.23 -5.04 116.67 102.56 2dme s ASP 57 Ca 0.28 0.13 0.02 0.00 -3.30 0.00 0.00 52.55 49.68 2dme s ASP 57 Cb -0.12 0.14 0.35 0.00 -1.09 0.00 0.00 42.92 42.20 2dme s ASP 57 CO 0.35 -0.18 1.40 0.35 0.70 0.00 0.00 175.17 177.79 2dme n THR 58 N 0.40 3.91 -4.03 2.11 -2.24 -1.26 -4.55 114.28 108.62 2dme n THR 58 Ca -0.03 -5.38 -0.27 0.00 -2.27 0.00 0.00 64.05 56.10 2dme n THR 58 Cb 0.58 -1.39 -0.01 0.00 -2.10 0.00 0.00 70.33 67.41 2dme n THR 58 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2dme n ASP 59 N -0.28 2.84 -0.30 3.42 9.92 -1.26 -4.91 116.55 125.98 2dme n ASP 59 Ca 0.41 -2.91 -0.02 0.00 -0.53 0.00 0.00 54.79 51.74 2dme n ASP 59 Cb 0.38 0.03 0.02 0.00 -0.64 0.00 0.00 41.12 40.91 2dme n ASP 59 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dme n ALA 60 N -1.80 -0.14 -0.30 2.24 0.00 -1.26 0.19 120.51 119.44 2dme n ALA 60 Ca -0.18 0.75 0.11 0.00 0.00 0.00 0.00 53.44 54.13 2dme n ALA 60 Cb 0.62 -0.31 0.28 0.00 0.00 0.00 0.00 19.45 20.03 2dme n ALA 60 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2dme h LYS 61 N 0.00 0.37 0.14 0.00 2.10 -1.95 0.23 116.57 117.46 2dme h LYS 61 Ca 0.25 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.87 2dme h LYS 61 Cb 0.44 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2dme h LYS 61 CO -0.75 0.25 -0.10 -0.92 -2.00 0.00 0.00 179.45 175.92 2dme h TYR 62 N 0.39 -0.28 -0.16 0.07 3.20 0.18 -2.91 116.97 117.45 2dme h TYR 62 Ca 0.53 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.45 2dme h TYR 62 Cb 0.98 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 39.28 2dme h TYR 62 CO -0.16 -0.15 -0.27 0.87 -1.64 0.00 0.00 178.16 176.81 2dme h LYS 63 N -0.23 -0.31 -0.72 1.82 1.57 -1.18 -1.53 116.57 115.98 2dme h LYS 63 Ca -0.02 0.02 0.22 0.00 -1.87 0.00 0.00 60.65 59.00 2dme h LYS 63 Cb 0.19 0.07 -0.13 0.00 0.08 0.00 0.00 32.23 32.44 2dme h LYS 63 CO 0.01 -0.21 0.09 -1.71 -0.57 0.00 0.00 179.45 177.07 2dme n ASN 64 N -5.39 -0.02 -0.00 0.86 5.15 0.76 0.20 115.26 116.82 2dme n ASN 64 Ca -0.02 1.22 -0.10 0.00 -0.60 0.00 0.00 54.58 55.08 2dme n ASN 64 Cb 0.30 -0.47 -0.08 0.00 -0.53 0.00 0.00 39.78 38.99 2dme n ASN 64 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 2dme h LYS 65 N 0.00 -0.11 -0.85 1.20 1.63 -1.10 -3.15 116.57 114.19 2dme h LYS 65 Ca 0.47 0.01 0.17 0.00 -0.85 0.00 0.00 60.65 60.45 2dme h LYS 65 Cb 1.05 0.02 -0.16 0.00 -0.60 0.00 0.00 32.23 32.54 2dme h LYS 65 CO -0.65 0.42 -0.19 -0.92 -3.45 0.00 0.00 179.45 174.65 2dme h TYR 66 N -0.90 -0.41 -0.96 1.91 3.20 0.52 0.62 116.97 120.95 2dme h TYR 66 Ca -0.01 0.07 0.04 0.00 3.14 0.00 0.00 58.73 61.98 2dme h TYR 66 Cb 0.57 0.31 -0.06 0.00 1.54 0.00 0.00 36.73 39.10 2dme h TYR 66 CO 0.13 -0.36 0.63 0.07 -1.64 0.00 0.00 178.16 176.98 2dme h ARG 67 N 0.01 1.16 -0.40 1.82 0.11 -0.97 -1.69 114.38 114.42 2dme h ARG 67 Ca 0.42 -0.07 -0.06 0.00 0.10 0.00 0.00 59.98 60.37 2dme h ARG 67 Cb 0.65 -0.26 -0.02 0.00 1.11 0.00 0.00 29.97 31.45 2dme h ARG 67 CO -0.86 0.77 0.00 1.03 0.10 0.00 0.00 179.97 181.01 2dme h SER 68 N 1.20 0.60 -0.21 0.08 0.87 0.21 0.61 113.55 116.92 2dme h SER 68 Ca 0.39 -0.13 0.02 0.00 -1.23 0.00 0.00 61.79 60.84 2dme h SER 68 Cb 0.03 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 2dme h SER 68 CO -0.13 0.67 0.08 -0.07 -0.53 0.00 0.00 176.83 176.84 2dme h LEU 69 N 0.60 0.09 0.00 2.23 3.38 -0.12 -2.78 115.31 118.72 2dme h LEU 69 Ca 0.13 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 2dme h LEU 69 Cb 0.38 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2dme h LEU 69 CO 0.01 0.08 -0.95 0.00 0.09 0.00 0.00 178.44 177.68 2dme h MET 70 N 0.18 0.00 -1.22 1.13 -0.00 -1.32 -3.30 114.93 110.39 2dme h MET 70 Ca 0.09 0.00 0.39 0.00 -0.00 0.00 0.00 59.70 60.18 2dme h MET 70 Cb 0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 31.60 31.53 2dme h MET 70 CO -0.09 0.55 0.78 0.35 -0.00 0.00 0.00 176.91 178.50 2dme h PHE 71 N 0.00 0.59 0.00 -0.10 3.57 0.53 0.82 116.94 122.35 2dme h PHE 71 Ca -0.07 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.23 2dme h PHE 71 Cb 1.57 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 40.12 2dme h PHE 71 CO 0.00 -0.16 -1.66 0.09 -2.23 0.00 0.00 178.31 174.35 2dme n ASN 72 N -4.73 0.73 -0.14 0.41 3.02 -1.22 -3.02 115.26 110.31 2dme n ASN 72 Ca 0.34 0.33 -0.10 0.00 -0.03 0.00 0.00 54.58 55.12 2dme n ASN 72 Cb 1.27 0.26 -0.01 0.00 -0.61 0.00 0.00 39.78 40.69 2dme n ASN 72 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2dme h LEU 73 N 0.00 0.71 -0.00 3.41 3.38 0.39 -3.06 115.31 120.14 2dme h LEU 73 Ca -0.25 -0.31 -0.18 0.00 0.09 0.00 0.00 57.88 57.23 2dme h LEU 73 Cb 1.79 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.32 2dme h LEU 73 CO 0.05 0.85 -0.87 0.07 0.09 0.00 0.00 178.44 178.64 2dme h LYS 74 N 0.55 0.00 -6.89 1.13 2.10 -0.77 -3.46 116.57 109.23 2dme h LYS 74 Ca 0.11 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.25 2dme h LYS 74 Cb 0.49 0.00 0.06 0.00 -0.90 0.00 0.00 32.23 31.88 2dme h LYS 74 CO 0.02 0.87 0.58 -0.51 -2.00 0.00 0.00 179.45 178.41 2dme s ASP 75 N -6.64 6.71 -0.02 7.07 1.11 -1.16 -4.97 116.67 118.77 2dme s ASP 75 Ca 0.02 2.56 -0.26 0.00 0.18 0.00 0.00 52.55 55.05 2dme s ASP 75 Cb 0.09 -2.64 -0.20 0.00 1.07 0.00 0.00 42.92 41.25 2dme s ASP 75 CO 0.80 -0.56 1.24 1.55 1.18 0.00 0.00 175.17 179.38 2dme h PRO 76 N 3.17 -0.03 -1.50 8.23 0.13 -1.88 -3.13 132.00 136.98 2dme h PRO 76 Ca -0.49 0.00 0.44 0.00 -0.87 0.00 0.00 66.00 65.08 2dme h PRO 76 Cb 1.23 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.31 2dme h PRO 76 CO 0.64 0.45 1.26 0.36 -0.23 0.00 0.00 178.00 180.48 2dme n LYS 77 N -4.87 0.01 -3.84 0.86 -0.00 -1.26 -2.27 118.16 106.78 2dme n LYS 77 Ca -0.08 0.98 -0.32 0.00 -0.00 0.00 0.00 58.31 58.89 2dme n LYS 77 Cb 0.25 -2.34 -0.11 0.00 -0.00 0.00 0.00 35.03 32.83 2dme n LYS 77 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2dme s ASN 78 N -3.69 4.88 -0.50 -5.58 -0.87 -1.18 -4.91 114.94 103.08 2dme s ASN 78 Ca -0.04 -3.28 0.02 0.00 -1.57 0.00 0.00 52.86 47.99 2dme s ASN 78 Cb 0.20 -1.73 0.50 0.00 -0.02 0.00 0.00 41.25 40.21 2dme s ASN 78 CO 0.68 -0.22 1.78 -0.46 -2.57 0.00 0.00 177.10 176.30 2dme n ASN 79 N 2.81 5.62 0.07 -1.22 0.23 -0.96 -4.54 115.26 117.27 2dme n ASN 79 Ca 0.11 -3.75 0.00 0.00 -0.53 0.00 0.00 54.58 50.42 2dme n ASN 79 Cb 0.35 -0.79 0.00 0.00 -2.08 0.00 0.00 39.78 37.26 2dme n ASN 79 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 2dme n ILE 80 N -0.96 0.40 -0.09 1.53 2.08 -1.26 -4.77 119.36 116.29 2dme n ILE 80 Ca 0.55 0.13 -0.02 0.00 0.56 0.00 0.00 62.75 63.96 2dme n ILE 80 Cb 0.98 -0.99 -0.02 0.00 -0.75 0.00 0.00 39.64 38.86 2dme n ILE 80 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 2dme n LEU 81 N -3.27 -0.22 -0.33 1.39 7.94 -1.26 0.20 117.00 121.45 2dme n LEU 81 Ca 0.00 0.84 0.22 0.00 -1.11 0.00 0.00 56.01 55.96 2dme n LEU 81 Cb 0.07 -0.28 0.44 0.00 0.53 0.00 0.00 43.42 44.18 2dme n LEU 81 CO 0.00 -0.54 1.07 2.19 -1.11 0.00 0.00 177.39 179.00 2dme h PHE 82 N 0.00 0.78 0.45 1.96 -0.00 -1.89 -0.83 116.94 117.42 2dme h PHE 82 Ca 0.03 0.04 -0.02 0.00 -0.00 0.00 0.00 57.97 58.02 2dme h PHE 82 Cb 0.09 -0.18 0.00 0.00 -0.00 0.00 0.00 35.95 35.86 2dme h PHE 82 CO -0.65 -0.21 -0.22 -0.22 -0.00 0.00 0.00 178.31 177.01 2dme h LYS 83 N 0.27 -0.59 -0.79 6.09 3.64 0.19 -3.05 116.57 122.33 2dme h LYS 83 Ca 0.70 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 60.25 2dme h LYS 83 Cb 1.58 0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 33.41 2dme h LYS 83 CO -0.64 -0.29 -0.29 1.63 -2.27 0.00 0.00 179.45 177.59 2dme n LYS 84 N -5.20 -0.17 -0.23 1.90 4.76 0.11 0.16 118.16 119.49 2dme n LYS 84 Ca -0.09 1.22 -0.02 0.00 -2.87 0.00 0.00 58.31 56.55 2dme n LYS 84 Cb 0.29 -1.82 0.09 0.00 -1.84 0.00 0.00 35.03 31.76 2dme n LYS 84 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2dme h VAL 85 N 0.00 0.97 0.46 -0.18 2.07 -1.50 0.41 116.25 118.48 2dme h VAL 85 Ca 0.29 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 2dme h VAL 85 Cb 0.49 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2dme h VAL 85 CO -0.79 0.12 -0.22 -0.07 0.02 0.00 0.00 177.57 176.63 2dme h LEU 86 N 0.67 -0.52 -0.03 2.57 4.07 0.17 -3.26 115.31 118.98 2dme h LEU 86 Ca 0.29 -0.09 0.03 0.00 0.08 0.00 0.00 57.88 58.20 2dme h LEU 86 Cb 0.18 0.13 -0.04 0.00 1.08 0.00 0.00 40.66 42.02 2dme h LEU 86 CO -0.18 -0.19 -0.16 0.11 -1.08 0.00 0.00 178.44 176.95 2dme h LYS 87 N -0.88 -0.24 0.00 1.13 1.79 -0.24 -3.47 116.57 114.66 2dme h LYS 87 Ca -0.06 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2dme h LYS 87 Cb 0.57 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2dme h LYS 87 CO 0.10 -0.16 0.00 0.41 -1.08 0.00 0.00 179.45 178.72 2dme n GLY 88 N -1.29 1.12 0.14 3.86 0.00 0.12 -5.06 105.19 104.07 2dme n GLY 88 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 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 0.60 -3.57 1.61 -0.58 0.41 -4.90 120.64 114.22 2dme n GLU 89 Ca 0.00 0.25 -0.39 0.00 -0.42 0.00 0.00 57.16 56.59 2dme n GLU 89 Cb 0.00 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.26 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 -2.51 5.19 0.50 2.62 1.01 -1.15 -4.95 120.40 121.11 2dme s VAL 90 Ca -0.38 -0.14 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 2dme s VAL 90 Cb 0.14 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 2dme s VAL 90 CO 0.51 0.08 1.22 0.42 0.00 0.00 0.00 175.10 177.33 2dme s THR 91 N 1.72 2.78 -0.29 3.92 -4.23 -1.26 -3.54 115.64 114.74 2dme s THR 91 Ca 0.06 0.57 0.27 0.00 -1.18 0.00 0.00 61.69 61.41 2dme s THR 91 Cb -0.17 -3.28 0.29 0.00 1.34 0.00 0.00 72.50 70.68 2dme s THR 91 CO 0.10 -0.02 1.80 1.55 -0.54 0.00 0.00 174.62 177.51 2dme h PRO 92 N 1.74 0.00 0.16 3.99 0.13 -1.95 -2.15 132.00 133.92 2dme h PRO 92 Ca -0.50 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.28 2dme h PRO 92 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2dme h PRO 92 CO 0.59 0.00 -1.84 0.38 -0.23 0.00 0.00 178.00 176.89 2dme h ASP 93 N 0.00 0.51 -0.18 1.44 2.03 -1.91 -3.37 116.42 114.94 2dme h ASP 93 Ca 0.00 -0.90 -0.19 0.00 -0.73 0.00 0.00 57.03 55.20 2dme h ASP 93 Cb 0.40 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 2dme h ASP 93 CO 0.00 1.79 -0.61 -0.74 -1.03 0.00 0.00 179.24 178.64 2dme h HIS 94 N 0.09 1.01 -1.26 4.15 2.76 -1.92 -3.19 115.15 116.79 2dme h HIS 94 Ca -0.37 -0.39 0.42 0.00 -2.20 0.00 0.00 60.37 57.83 2dme h HIS 94 Cb 2.07 -0.18 -0.11 0.00 1.55 0.00 0.00 27.41 30.74 2dme h HIS 94 CO 0.09 1.20 0.83 -0.11 -1.30 0.00 0.00 177.93 178.64 2dme n LEU 95 N -3.97 0.15 -0.02 0.26 0.00 -0.82 0.18 117.00 112.77 2dme n LEU 95 Ca -0.05 1.12 -0.15 0.00 0.00 0.00 0.00 56.01 56.93 2dme n LEU 95 Cb 0.66 -0.55 -0.11 0.00 0.00 0.00 0.00 43.42 43.42 2dme n LEU 95 CO 0.50 -1.20 0.39 0.40 0.00 0.00 0.00 177.39 177.48 2dme h ILE 96 N 0.00 1.48 0.00 1.96 2.04 -1.77 -3.19 117.51 118.03 2dme h ILE 96 Ca 0.76 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 64.74 2dme h ILE 96 Cb 2.55 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 41.21 2dme h ILE 96 CO -0.33 0.53 0.00 0.54 0.00 0.00 0.00 178.15 178.89 2dme n ARG 97 N -4.44 0.18 -1.71 2.37 1.74 0.48 -4.86 116.66 110.43 2dme n ARG 97 Ca -0.09 0.01 -0.43 0.00 -0.77 0.00 0.00 57.85 56.56 2dme n ARG 97 Cb 0.52 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.44 2dme n ARG 97 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2dme n MET 98 N -1.41 2.41 -0.92 5.56 2.81 0.38 -4.95 117.12 121.00 2dme n MET 98 Ca 0.10 0.86 -0.31 0.00 -1.81 0.00 0.00 57.70 56.54 2dme n MET 98 Cb 0.29 -2.61 0.15 0.00 -0.71 0.00 0.00 33.22 30.34 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 0.56 3.32 0.00 7.83 0.01 -1.26 -4.84 113.70 119.33 2dme s SER 99 Ca 0.69 1.94 0.14 0.00 1.31 0.00 0.00 55.95 60.03 2dme s SER 99 Cb -0.57 -2.49 0.62 0.00 0.21 0.00 0.00 66.02 63.79 2dme s SER 99 CO 0.45 -2.80 1.44 -0.81 0.41 0.00 0.00 173.24 171.93 2dme n PRO 100 N -4.03 0.03 -0.04 12.44 -0.04 -1.26 -2.36 135.00 139.75 2dme n PRO 100 Ca 0.10 0.24 0.03 0.00 -0.04 0.00 0.00 63.50 63.83 2dme n PRO 100 Cb 0.53 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.34 2dme n PRO 100 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2dme n GLU 101 N -1.47 0.75 0.08 0.54 2.13 -1.26 -4.48 120.64 116.94 2dme n GLU 101 Ca 0.04 -0.12 -0.21 0.00 0.66 0.00 0.00 57.16 57.53 2dme n GLU 101 Cb 0.16 -1.47 -0.14 0.00 0.27 0.00 0.00 31.44 30.26 2dme n GLU 101 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2dme h GLU 102 N 0.00 0.47 -1.05 5.31 4.39 -1.82 -2.78 114.58 119.10 2dme h GLU 102 Ca -0.18 -0.70 0.30 0.00 0.34 0.00 0.00 59.36 59.13 2dme h GLU 102 Cb 1.34 0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 30.19 2dme h GLU 102 CO 0.01 1.31 1.02 -0.07 -1.16 0.00 0.00 179.01 180.12 2dme h LEU 103 N -0.02 0.00 0.00 1.33 3.38 -1.71 0.82 115.31 119.11 2dme h LEU 103 Ca -0.17 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.51 2dme h LEU 103 Cb 1.80 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.50 2dme h LEU 103 CO 0.20 0.00 -2.26 0.00 0.09 0.00 0.00 178.44 176.48 2dme n ALA 104 N -2.44 1.74 -1.28 1.53 0.00 -1.23 -4.44 120.51 114.39 2dme n ALA 104 Ca 0.23 -1.14 -0.58 0.00 0.00 0.00 0.00 53.44 51.96 2dme n ALA 104 Cb 1.35 -0.26 -0.12 0.00 0.00 0.00 0.00 19.45 20.42 2dme n ALA 104 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2dme n SER 105 N -2.63 0.70 -0.12 0.00 7.64 0.28 -4.80 113.62 114.71 2dme n SER 105 Ca -0.27 0.62 -0.20 0.00 1.01 0.00 0.00 58.87 60.03 2dme n SER 105 Cb 1.02 -0.90 -0.07 0.00 -1.01 0.00 0.00 64.21 63.25 2dme n SER 105 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2dme n LYS 106 N 7.62 0.56 -1.04 1.43 4.81 -1.26 -4.90 118.16 125.38 2dme n LYS 106 Ca 0.56 0.26 -0.35 0.00 -0.87 0.00 0.00 58.31 57.90 2dme n LYS 106 Cb -0.03 -1.48 -0.02 0.00 0.02 0.00 0.00 35.03 33.52 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 -4.36 0.00 0.16 1.64 -0.58 -1.26 -4.88 120.64 111.36 2dme n GLU 107 Ca -0.35 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.27 2dme n GLU 107 Cb 0.71 -0.75 -0.07 0.00 -0.57 0.00 0.00 31.44 30.76 2dme n GLU 107 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2dme h LEU 108 N 0.68 -0.40 -1.35 -4.62 6.46 -1.97 -3.17 115.31 110.95 2dme h LEU 108 Ca -0.22 -0.15 0.44 0.00 -0.12 0.00 0.00 57.88 57.83 2dme h LEU 108 Cb 1.08 0.10 -0.14 0.00 -0.73 0.00 0.00 40.66 40.98 2dme h LEU 108 CO 0.42 0.04 0.82 0.00 -0.62 0.00 0.00 178.44 179.10 2dme h ALA 109 N -0.62 2.68 -0.53 1.25 0.00 -1.90 0.29 119.26 120.43 2dme h ALA 109 Ca -0.05 0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.11 2dme h ALA 109 Cb 0.52 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.44 2dme h ALA 109 CO 0.08 -1.34 -0.17 0.00 0.00 0.00 0.00 179.25 177.81 2dme h ALA 110 N 1.65 0.28 0.02 0.00 0.00 -1.90 -2.61 119.26 116.69 2dme h ALA 110 Ca 0.84 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.96 2dme h ALA 110 Cb 2.58 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 20.82 2dme h ALA 110 CO -0.47 -0.48 -0.28 -1.49 0.00 0.00 0.00 179.25 176.52 2dme h TRP 111 N -0.05 -0.82 -3.91 0.00 -0.00 -0.55 -3.44 115.95 107.18 2dme h TRP 111 Ca 0.25 0.02 -0.11 0.00 -0.00 0.00 0.00 58.89 59.06 2dme h TRP 111 Cb 0.43 0.35 -0.16 0.00 -0.00 0.00 0.00 29.16 29.79 2dme h TRP 111 CO -0.48 -0.31 -0.51 0.50 -0.00 0.00 0.00 178.44 177.64 2dme s ARG 112 N -4.43 0.68 -0.60 0.49 3.52 -0.99 -4.88 118.95 112.73 2dme s ARG 112 Ca -0.08 -0.94 -0.01 0.00 -0.13 0.00 0.00 55.73 54.57 2dme s ARG 112 Cb 0.03 0.26 0.00 0.00 -1.56 0.00 0.00 34.95 33.69 2dme s ARG 112 CO 0.32 -0.18 0.16 -2.13 -0.81 0.00 0.00 175.30 172.66 2dme n ARG 113 N 0.33 -1.45 -1.01 5.12 3.00 -1.26 -4.43 116.66 116.96 2dme n ARG 113 Ca -0.16 0.35 -0.33 0.00 -0.00 0.00 0.00 57.85 57.71 2dme n ARG 113 Cb 0.60 -4.11 0.02 0.00 0.00 0.00 0.00 32.46 28.97 2dme n ARG 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2dme n ARG 114 N -1.89 0.00 -1.40 -0.14 1.74 -1.20 -4.77 116.66 109.00 2dme n ARG 114 Ca -0.06 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.65 2dme n ARG 114 Cb 0.55 -0.87 0.04 0.00 -1.02 0.00 0.00 32.46 31.17 2dme n ARG 114 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2dme n SER 115 N 2.44 -1.28 0.00 0.55 2.88 -1.26 -4.98 113.62 111.97 2dme n SER 115 Ca 0.04 0.69 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 2dme n SER 115 Cb 0.43 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 2dme n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dme n GLY 116 N 1.81 -0.74 3.56 0.46 0.00 -1.26 -4.53 105.19 104.49 2dme n GLY 116 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 2dme n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dme s PRO 117 N 0.00 2.57 0.09 1.61 0.04 -1.26 -4.88 135.00 133.16 2dme s PRO 117 Ca 0.00 -0.25 -0.23 0.00 0.04 0.00 0.00 61.00 60.56 2dme s PRO 117 Cb 0.00 -5.03 0.06 0.00 0.04 0.00 0.00 34.50 29.57 2dme s PRO 117 CO 0.00 -3.34 0.55 -1.12 0.04 0.00 0.00 177.00 173.13 2dme s SER 118 N 8.01 -0.48 -0.05 6.66 0.01 -1.26 -5.14 113.70 121.44 2dme s SER 118 Ca 0.70 0.11 -0.30 0.00 1.31 0.00 0.00 55.95 57.77 2dme s SER 118 Cb -0.07 0.53 -0.02 0.00 0.21 0.00 0.00 66.02 66.67 2dme s SER 118 CO 0.00 -0.81 1.00 -0.44 0.41 0.00 0.00 173.24 173.40 2dme s SER 119 N -2.27 7.29 0.00 2.44 0.01 -1.26 -5.10 113.70 114.81 2dme s SER 119 Ca -0.03 1.61 0.00 0.00 1.31 0.00 0.00 55.95 58.84 2dme s SER 119 Cb -0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2dme s SER 119 CO -0.06 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.83