#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 0.06 -0.34 1.61 0.01 -1.26 -5.05 113.70 108.73 2dme s SER 2 Ca 0.00 -0.20 0.06 0.00 1.31 0.00 0.00 55.95 57.12 2dme s SER 2 Cb 0.00 0.17 0.46 0.00 0.21 0.00 0.00 66.02 66.86 2dme s SER 2 CO 0.00 -0.26 1.37 -1.54 0.41 0.00 0.00 173.24 173.22 2dme n SER 3 N 1.91 4.57 0.00 2.44 3.41 -1.26 -5.04 113.62 119.66 2dme n SER 3 Ca -0.20 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.62 2dme n SER 3 Cb 0.56 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 -0.86 -0.83 2.13 5.00 0.00 -1.26 -5.01 105.19 104.36 2dme n GLY 4 Ca 0.42 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 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 0.67 4.49 -4.93 1.61 3.41 -1.26 -5.06 113.62 112.55 2dme n SER 5 Ca 0.00 -3.52 -0.25 0.00 -0.26 0.00 0.00 58.87 54.84 2dme n SER 5 Cb 0.00 -0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 63.58 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 -3.63 6.30 0.00 4.04 0.01 -1.26 -5.08 113.70 114.08 2dme s SER 6 Ca 0.48 0.55 0.00 0.00 1.31 0.00 0.00 55.95 58.29 2dme s SER 6 Cb 0.40 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.55 2dme s SER 6 CO 0.03 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.95 2dme n GLY 7 N -1.82 3.88 3.63 3.44 0.00 -1.26 -5.12 105.19 107.95 2dme n GLY 7 Ca -0.04 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 2dme n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dme s SER 8 N 0.00 6.25 0.31 1.61 0.01 -1.26 -4.97 113.70 115.65 2dme s SER 8 Ca 0.00 0.28 0.06 0.00 1.31 0.00 0.00 55.95 57.60 2dme s SER 8 Cb 0.00 -2.19 0.84 0.00 0.21 0.00 0.00 66.02 64.88 2dme s SER 8 CO 0.00 -0.11 1.63 0.00 0.41 0.00 0.00 173.24 175.17 2dme h ALA 9 N 7.92 1.45 -0.28 1.44 0.00 -1.99 0.19 119.26 127.99 2dme h ALA 9 Ca -0.34 0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.88 2dme h ALA 9 Cb 1.17 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 2dme h ALA 9 CO 0.65 -0.55 -0.13 0.22 0.00 0.00 0.00 179.25 179.44 2dme h ASP 10 N 0.17 -0.44 -0.27 0.00 1.82 -2.00 -2.75 116.42 112.94 2dme h ASP 10 Ca 0.62 0.11 0.04 0.00 -0.39 0.00 0.00 57.03 57.40 2dme h ASP 10 Cb 1.34 0.25 -0.06 0.00 0.68 0.00 0.00 39.33 41.53 2dme h ASP 10 CO -0.71 -0.16 -0.47 1.56 -1.61 0.00 0.00 179.24 177.85 2dme h GLN 11 N -0.09 -0.38 -0.93 0.28 1.08 -1.03 0.21 115.11 114.25 2dme h GLN 11 Ca 0.15 0.03 0.15 0.00 -1.45 0.00 0.00 58.65 57.53 2dme h GLN 11 Cb 0.31 0.09 -0.16 0.00 -0.05 0.00 0.00 27.48 27.67 2dme h GLN 11 CO -0.34 -0.25 -0.35 0.82 -0.95 0.00 0.00 178.83 177.76 2dme h ILE 12 N -0.39 0.03 -0.20 2.54 2.04 -1.40 0.25 117.51 120.38 2dme h ILE 12 Ca 0.05 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 2dme h ILE 12 Cb 0.53 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2dme h ILE 12 CO -0.46 0.00 0.11 0.03 0.00 0.00 0.00 178.15 177.83 2dme h ARG 13 N -0.02 0.28 0.15 2.37 3.08 -1.09 -2.39 114.38 116.76 2dme h ARG 13 Ca 0.35 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.38 2dme h ARG 13 Cb 0.61 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.56 2dme h ARG 13 CO -0.95 0.25 -0.53 0.37 -1.07 0.00 0.00 179.97 178.05 2dme h GLN 14 N 0.23 -0.75 -0.56 0.04 4.15 0.25 -2.30 115.11 116.16 2dme h GLN 14 Ca 0.07 0.05 0.11 0.00 0.77 0.00 0.00 58.65 59.66 2dme h GLN 14 Cb 0.05 0.17 -0.10 0.00 0.21 0.00 0.00 27.48 27.81 2dme h GLN 14 CO -0.01 -0.50 -0.11 1.03 -1.93 0.00 0.00 178.83 177.31 2dme h SER 15 N -0.78 -0.47 -0.94 -0.69 0.87 -0.88 -0.02 113.55 110.64 2dme h SER 15 Ca -0.01 0.16 0.28 0.00 -1.23 0.00 0.00 61.79 61.00 2dme h SER 15 Cb 0.77 0.33 -0.16 0.00 -0.44 0.00 0.00 62.40 62.90 2dme h SER 15 CO -0.27 -0.17 0.28 0.58 -0.53 0.00 0.00 176.83 176.72 2dme h VAL 16 N 0.02 0.20 0.21 2.23 2.07 -0.88 -0.03 116.25 120.07 2dme h VAL 16 Ca 0.28 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.74 2dme h VAL 16 Cb 0.43 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2dme h VAL 16 CO -0.56 0.03 -0.23 0.03 0.02 0.00 0.00 177.57 176.85 2dme h ARG 17 N 0.15 -0.43 0.13 1.57 3.08 -0.74 -1.49 114.38 116.66 2dme h ARG 17 Ca 0.63 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.73 2dme h ARG 17 Cb 1.39 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 31.49 2dme h ARG 17 CO -0.72 -0.29 -0.46 1.25 -1.07 0.00 0.00 179.97 178.67 2dme h HIS 18 N -0.45 -1.32 -0.98 3.04 2.76 -1.27 -1.25 115.15 115.69 2dme h HIS 18 Ca -0.03 0.03 0.16 0.00 -2.20 0.00 0.00 60.37 58.34 2dme h HIS 18 Cb 0.39 0.56 -0.17 0.00 1.55 0.00 0.00 27.41 29.75 2dme h HIS 18 CO -0.17 -0.56 -0.35 0.43 -1.30 0.00 0.00 177.93 175.98 2dme n SER 19 N -5.48 -0.56 0.28 3.26 7.64 -0.13 -0.30 113.62 118.33 2dme n SER 19 Ca -0.08 1.71 -0.11 0.00 1.01 0.00 0.00 58.87 61.40 2dme n SER 19 Cb 0.40 -0.42 -0.05 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.61 -1.39 -3.43 3.38 -0.75 -2.72 115.31 109.79 2dme h LEU 20 Ca 0.38 0.02 0.43 0.00 0.09 0.00 0.00 57.88 58.80 2dme h LEU 20 Cb 0.62 0.16 -0.13 0.00 0.09 0.00 0.00 40.66 41.40 2dme h LEU 20 CO -0.98 -0.44 0.84 0.50 0.09 0.00 0.00 178.44 178.45 2dme h LYS 21 N -0.72 0.08 0.03 1.13 3.64 -0.20 0.40 116.57 120.93 2dme h LYS 21 Ca -0.07 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2dme h LYS 21 Cb 0.55 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 2dme h LYS 21 CO 0.12 0.05 -0.14 0.22 -2.27 0.00 0.00 179.45 177.43 2dme h ASP 22 N 0.08 -0.40 0.93 4.20 3.58 -0.34 0.11 116.42 124.57 2dme h ASP 22 Ca 0.82 0.06 -0.05 0.00 0.42 0.00 0.00 57.03 58.28 2dme h ASP 22 Cb 2.56 0.17 0.01 0.00 1.72 0.00 0.00 39.33 43.79 2dme h ASP 22 CO -0.43 -0.20 -0.45 0.40 -2.88 0.00 0.00 179.24 175.68 2dme h ILE 23 N -0.25 0.03 0.00 2.25 2.04 -0.10 0.85 117.51 122.32 2dme h ILE 23 Ca 0.04 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2dme h ILE 23 Cb 0.30 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 2dme h ILE 23 CO -0.12 0.00 0.07 0.18 0.00 0.00 0.00 178.15 178.28 2dme n LEU 24 N -5.61 0.21 -0.10 1.44 4.77 -0.94 -0.69 117.00 116.08 2dme n LEU 24 Ca -0.16 0.55 -0.21 0.00 -0.03 0.00 0.00 56.01 56.17 2dme n LEU 24 Cb 0.49 -0.57 -0.10 0.00 -2.33 0.00 0.00 43.42 40.91 2dme n LEU 24 CO 0.38 -0.62 -0.59 0.23 -1.33 0.00 0.00 177.39 175.46 2dme n MET 25 N -1.76 0.55 0.21 3.23 2.81 0.37 -2.73 117.12 119.81 2dme n MET 25 Ca -0.01 0.54 0.15 0.00 -1.81 0.00 0.00 57.70 56.57 2dme n MET 25 Cb 0.08 -1.72 0.59 0.00 -0.71 0.00 0.00 33.22 31.47 2dme n MET 25 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2dme h LYS 26 N -1.00 0.00 0.00 0.03 5.09 -0.09 -1.82 116.57 118.79 2dme h LYS 26 Ca -0.34 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 60.33 2dme h LYS 26 Cb 1.24 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.56 2dme h LYS 26 CO -0.21 0.00 -0.69 0.00 -2.09 0.00 0.00 179.45 176.46 2dme h ARG 27 N 0.00 0.00 -0.85 0.07 2.47 -1.07 -3.32 114.38 111.67 2dme h ARG 27 Ca 0.00 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.77 2dme h ARG 27 Cb 0.46 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.72 2dme h ARG 27 CO 0.00 0.33 0.54 1.37 0.56 0.00 0.00 179.97 182.77 2dme h LEU 28 N -1.00 0.86 -2.06 3.04 8.10 -1.56 0.45 115.31 123.14 2dme h LEU 28 Ca -0.11 0.01 0.05 0.00 0.11 0.00 0.00 57.88 57.94 2dme h LEU 28 Cb 0.73 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 40.77 2dme h LEU 28 CO -0.07 0.56 0.12 0.00 -4.11 0.00 0.00 178.44 174.95 2dme h THR 29 N 1.00 0.84 0.00 0.15 1.03 -1.52 0.44 112.91 114.85 2dme h THR 29 Ca 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.76 2dme h THR 29 Cb 0.12 0.91 0.00 0.00 -1.07 0.00 0.00 68.15 68.11 2dme h THR 29 CO -0.15 0.00 -0.84 -0.67 -0.01 0.00 0.00 175.52 173.85 2dme n ASP 30 N -4.37 0.71 -1.85 0.00 2.03 -0.33 -4.03 116.55 108.71 2dme n ASP 30 Ca 0.01 -0.52 -0.03 0.00 0.52 0.00 0.00 54.79 54.77 2dme n ASP 30 Cb 0.25 0.69 0.29 0.00 -0.72 0.00 0.00 41.12 41.63 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 -1.62 4.65 -2.02 1.67 7.64 0.10 -4.89 113.62 119.15 2dme n SER 31 Ca 0.04 -3.03 -0.05 0.00 1.01 0.00 0.00 58.87 56.84 2dme n SER 31 Cb 0.36 -0.71 -0.01 0.00 -1.01 0.00 0.00 64.21 62.84 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 0.03 -2.00 -4.64 6.43 4.13 -1.14 -4.82 115.26 113.25 2dme n ASN 32 Ca 0.34 0.29 -0.43 0.00 1.68 0.00 0.00 54.58 56.46 2dme n ASN 32 Cb 1.24 -1.89 -0.02 0.00 -1.54 0.00 0.00 39.78 37.56 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 -4.39 4.02 -0.14 3.41 1.43 -0.95 -4.88 118.68 117.18 2dme s LEU 33 Ca 0.00 1.68 -0.00 0.00 -1.03 0.00 0.00 54.13 54.77 2dme s LEU 33 Cb 0.00 -3.53 0.11 0.00 0.03 0.00 0.00 46.19 42.80 2dme s LEU 33 CO 0.00 -1.08 1.84 0.29 0.23 0.00 0.00 176.35 177.63 2dme n LYS 34 N 7.32 1.35 -3.37 1.70 5.02 -1.26 -4.80 118.16 124.13 2dme n LYS 34 Ca 0.17 -0.72 -0.33 0.00 -2.02 0.00 0.00 58.31 55.41 2dme n LYS 34 Cb 0.45 -1.28 -0.06 0.00 -0.02 0.00 0.00 35.03 34.12 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 -1.00 4.88 0.26 -0.18 -7.23 -1.26 -5.05 120.40 110.82 2dme s VAL 35 Ca 0.14 0.65 -0.29 0.00 -1.81 0.00 0.00 61.98 60.67 2dme s VAL 35 Cb 0.11 -3.66 -0.09 0.00 0.56 0.00 0.00 36.38 33.29 2dme s VAL 35 CO 0.00 0.05 1.26 -2.16 -0.31 0.00 0.00 175.10 173.94 2dme s PRO 36 N -2.48 4.44 0.51 4.82 0.04 -1.26 -4.89 135.00 136.18 2dme s PRO 36 Ca 0.44 2.05 0.38 0.00 0.04 0.00 0.00 61.00 63.91 2dme s PRO 36 Cb -0.13 -3.15 1.55 0.00 0.04 0.00 0.00 34.50 32.81 2dme s PRO 36 CO 0.20 -0.12 1.68 1.49 0.04 0.00 0.00 177.00 180.29 2dme h GLU 37 N 4.32 0.05 -0.70 4.56 4.81 -1.99 0.96 114.58 126.60 2dme h GLU 37 Ca -0.47 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.69 2dme h GLU 37 Cb 1.22 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 2dme h GLU 37 CO 0.71 0.04 0.15 1.05 -0.73 0.00 0.00 179.01 180.22 2dme h GLU 38 N 0.06 1.13 -0.26 1.92 4.11 -1.99 -3.10 114.58 116.44 2dme h GLU 38 Ca 0.75 -0.28 0.02 0.00 0.07 0.00 0.00 59.36 59.92 2dme h GLU 38 Cb 2.77 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 31.84 2dme h GLU 38 CO -0.13 1.01 -0.18 -0.22 0.07 0.00 0.00 179.01 179.55 2dme h LYS 39 N 1.06 -0.03 -0.26 1.06 1.63 0.63 0.33 116.57 120.99 2dme h LYS 39 Ca 0.22 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 60.08 2dme h LYS 39 Cb 0.40 0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 31.97 2dme h LYS 39 CO 0.01 -0.02 -0.20 0.00 -3.45 0.00 0.00 179.45 175.79 2dme h ALA 40 N -0.63 -0.03 -0.02 5.00 0.00 -1.66 -2.46 119.26 119.45 2dme h ALA 40 Ca 0.04 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2dme h ALA 40 Cb 0.14 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2dme h ALA 40 CO -0.27 -0.61 -0.12 0.00 0.00 0.00 0.00 179.25 178.25 2dme h ALA 41 N 0.94 -0.55 -0.91 0.00 0.00 -1.16 -1.14 119.26 116.44 2dme h ALA 41 Ca 0.14 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.14 2dme h ALA 41 Cb 0.40 0.66 -0.12 0.00 0.00 0.00 0.00 17.79 18.73 2dme h ALA 41 CO -0.37 -0.59 -0.47 1.63 0.00 0.00 0.00 179.25 179.44 2dme n LYS 42 N -3.21 -0.34 -0.15 0.00 5.02 0.10 0.00 118.16 119.59 2dme n LYS 42 Ca -0.01 1.39 -0.05 0.00 -2.02 0.00 0.00 58.31 57.61 2dme n LYS 42 Cb 0.09 -2.05 0.01 0.00 -0.02 0.00 0.00 35.03 33.06 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 0.32 0.24 -0.18 2.07 -1.07 -0.57 116.25 117.06 2dme h VAL 43 Ca 0.21 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 2dme h VAL 43 Cb 0.43 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2dme h VAL 43 CO -0.87 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 176.53 2dme h ALA 44 N 1.11 -0.96 -1.49 1.67 0.00 0.85 -0.81 119.26 119.63 2dme h ALA 44 Ca 0.22 -0.08 0.45 0.00 0.00 0.00 0.00 54.91 55.50 2dme h ALA 44 Cb 0.49 0.36 -0.10 0.00 0.00 0.00 0.00 17.79 18.54 2dme h ALA 44 CO -0.56 -0.96 1.02 1.15 0.00 0.00 0.00 179.25 179.90 2dme h THR 45 N -0.40 0.15 -0.04 0.00 2.02 -0.79 0.49 112.91 114.34 2dme h THR 45 Ca -0.03 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 2dme h THR 45 Cb 0.34 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 2dme h THR 45 CO 0.01 0.01 -0.08 0.11 0.37 0.00 0.00 175.52 175.94 2dme h LYS 46 N 0.06 0.12 -0.84 6.66 1.79 -0.52 -3.13 116.57 120.72 2dme h LYS 46 Ca 0.81 -0.08 0.20 0.00 -2.18 0.00 0.00 60.65 59.40 2dme h LYS 46 Cb 2.84 0.01 -0.16 0.00 -1.58 0.00 0.00 32.23 33.34 2dme h LYS 46 CO -0.22 0.66 -0.08 -0.89 -1.08 0.00 0.00 179.45 177.83 2dme n ILE 47 N -4.70 -0.35 -0.08 1.86 2.08 0.17 0.11 119.36 118.44 2dme n ILE 47 Ca -0.08 1.88 -0.12 0.00 0.56 0.00 0.00 62.75 65.00 2dme n ILE 47 Cb 0.33 -2.69 -0.05 0.00 -0.75 0.00 0.00 39.64 36.49 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 0.47 -0.41 0.38 3.07 -1.59 0.22 114.58 116.73 2dme h GLU 48 Ca 0.46 -0.18 0.12 0.00 -0.50 0.00 0.00 59.36 59.26 2dme h GLU 48 Cb 0.86 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.73 2dme h GLU 48 CO -0.82 0.70 0.36 -0.22 -1.40 0.00 0.00 179.01 177.63 2dme h LYS 49 N 0.21 0.00 0.07 2.33 3.64 0.88 0.18 116.57 123.88 2dme h LYS 49 Ca 0.06 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.07 2dme h LYS 49 Cb 0.53 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 2dme h LYS 49 CO 0.02 0.00 -2.10 0.39 -2.27 0.00 0.00 179.45 175.49 2dme n GLU 50 N -4.01 0.71 0.12 1.90 -0.58 -0.16 -3.96 120.64 114.66 2dme n GLU 50 Ca 0.07 0.25 -0.05 0.00 -0.42 0.00 0.00 57.16 57.02 2dme n GLU 50 Cb 0.54 -1.65 -0.02 0.00 -0.57 0.00 0.00 31.44 29.74 2dme n GLU 50 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2dme h LEU 51 N -0.08 -0.26 -1.76 -4.62 5.85 0.24 0.08 115.31 114.75 2dme h LEU 51 Ca -0.48 0.01 0.34 0.00 0.84 0.00 0.00 57.88 58.60 2dme h LEU 51 Cb 1.92 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.97 2dme h LEU 51 CO -0.01 -0.14 1.00 0.15 -0.34 0.00 0.00 178.44 179.10 2dme h PHE 52 N -0.41 0.00 0.02 1.25 3.57 -0.91 -0.17 116.94 120.29 2dme h PHE 52 Ca -0.03 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2dme h PHE 52 Cb 0.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2dme h PHE 52 CO 0.11 0.00 -0.01 1.03 -2.23 0.00 0.00 178.31 177.21 2dme h SER 53 N 0.00 -0.02 -1.17 0.41 0.87 -1.66 0.71 113.55 112.70 2dme h SER 53 Ca 0.56 0.00 0.37 0.00 -1.23 0.00 0.00 61.79 61.49 2dme h SER 53 Cb 2.55 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 64.39 2dme h SER 53 CO -0.01 0.12 0.73 0.15 -0.53 0.00 0.00 176.83 177.30 2dme h PHE 54 N -0.28 0.65 0.10 2.24 3.57 -0.17 0.18 116.94 123.22 2dme h PHE 54 Ca -0.00 0.03 -0.34 0.00 3.53 0.00 0.00 57.97 61.18 2dme h PHE 54 Cb 0.02 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 2dme h PHE 54 CO 0.01 -0.14 -1.89 0.74 -2.23 0.00 0.00 178.31 174.80 2dme h PHE 55 N 0.21 0.39 -2.12 0.41 0.04 -1.18 -3.48 116.94 111.20 2dme h PHE 55 Ca 0.74 -0.28 -0.41 0.00 2.80 0.00 0.00 57.97 60.82 2dme h PHE 55 Cb 2.10 -0.02 -0.08 0.00 2.20 0.00 0.00 35.95 40.16 2dme h PHE 55 CO -0.01 1.58 -0.46 -2.13 -0.60 0.00 0.00 178.31 176.69 2dme n ARG 56 N -3.39 -1.53 -3.54 1.51 0.63 0.25 -4.93 116.66 105.65 2dme n ARG 56 Ca -0.27 1.07 -0.11 0.00 -0.92 0.00 0.00 57.85 57.62 2dme n ARG 56 Cb 1.05 -5.59 -0.04 0.00 0.45 0.00 0.00 32.46 28.33 2dme n ARG 56 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 2dme s ASP 57 N -2.36 -0.42 -0.73 6.15 1.47 -1.23 -5.03 116.67 114.52 2dme s ASP 57 Ca 0.00 0.31 0.02 0.00 1.18 0.00 0.00 52.55 54.06 2dme s ASP 57 Cb 0.00 0.38 0.36 0.00 -0.34 0.00 0.00 42.92 43.31 2dme s ASP 57 CO 0.00 -0.50 1.46 0.35 0.68 0.00 0.00 175.17 177.17 2dme n THR 58 N 0.41 3.85 -3.02 2.11 -2.24 -1.26 -4.66 114.28 109.46 2dme n THR 58 Ca -0.11 -5.26 -0.19 0.00 -2.27 0.00 0.00 64.05 56.22 2dme n THR 58 Cb 0.59 -1.37 0.04 0.00 -2.10 0.00 0.00 70.33 67.49 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 -2.39 5.33 0.17 3.42 2.15 -1.26 -4.93 116.67 119.16 2dme s ASP 59 Ca 0.47 -0.67 -0.21 0.00 0.43 0.00 0.00 52.55 52.56 2dme s ASP 59 Cb 0.32 -0.09 0.08 0.00 -0.30 0.00 0.00 42.92 42.92 2dme s ASP 59 CO -0.21 -1.11 1.36 0.00 -0.17 0.00 0.00 175.17 175.04 2dme n ALA 60 N -2.08 -0.34 -0.22 3.66 0.00 -1.26 -0.42 120.51 119.86 2dme n ALA 60 Ca 0.13 0.81 -0.11 0.00 0.00 0.00 0.00 53.44 54.27 2dme n ALA 60 Cb 0.61 -0.26 -0.07 0.00 0.00 0.00 0.00 19.45 19.73 2dme n ALA 60 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2dme h LYS 61 N 0.00 -0.25 -0.94 0.00 1.57 -1.97 0.19 116.57 115.17 2dme h LYS 61 Ca 0.22 0.02 0.22 0.00 -1.87 0.00 0.00 60.65 59.24 2dme h LYS 61 Cb 0.44 0.06 -0.17 0.00 0.08 0.00 0.00 32.23 32.63 2dme h LYS 61 CO -0.85 -0.17 -0.08 -0.92 -0.57 0.00 0.00 179.45 176.87 2dme h TYR 62 N -0.26 -0.23 -0.39 -1.35 3.20 -1.01 0.54 116.97 117.47 2dme h TYR 62 Ca 0.13 0.07 -0.12 0.00 3.14 0.00 0.00 58.73 61.96 2dme h TYR 62 Cb 0.55 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 2dme h TYR 62 CO -0.77 -0.39 -0.23 0.87 -1.64 0.00 0.00 178.16 175.99 2dme h LYS 63 N 0.02 0.85 -0.69 1.82 1.57 -0.62 -2.58 116.57 116.94 2dme h LYS 63 Ca 0.52 -0.39 0.13 0.00 -1.87 0.00 0.00 60.65 59.04 2dme h LYS 63 Cb 0.94 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.15 2dme h LYS 63 CO -0.91 1.03 0.21 -0.97 -0.57 0.00 0.00 179.45 178.25 2dme h ASN 64 N 0.66 0.12 -0.29 0.86 -0.73 0.28 0.19 115.58 116.67 2dme h ASN 64 Ca 0.08 0.12 -0.08 0.00 1.87 0.00 0.00 56.30 58.29 2dme h ASN 64 Cb 0.80 0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.52 2dme h ASN 64 CO 0.07 0.04 -0.14 0.50 -0.37 0.00 0.00 177.43 177.52 2dme h LYS 65 N 0.34 0.61 0.58 6.67 1.63 -1.16 -2.33 116.57 122.90 2dme h LYS 65 Ca 0.38 -0.27 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 2dme h LYS 65 Cb 0.58 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.19 2dme h LYS 65 CO -0.42 0.84 -0.35 -0.92 -3.45 0.00 0.00 179.45 175.15 2dme h TYR 66 N 0.35 -0.93 0.00 1.91 3.20 -0.85 -0.58 116.97 120.07 2dme h TYR 66 Ca 0.06 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2dme h TYR 66 Cb 0.66 0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.26 2dme h TYR 66 CO 0.06 -0.54 0.00 0.07 -1.64 0.00 0.00 178.16 176.11 2dme h ARG 67 N -0.88 0.00 0.00 1.82 0.11 -0.73 1.00 114.38 115.69 2dme h ARG 67 Ca -0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.01 2dme h ARG 67 Cb 0.72 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.80 2dme h ARG 67 CO 0.07 0.00 -0.81 1.03 0.10 0.00 0.00 179.97 180.37 2dme h SER 68 N 0.00 0.00 0.03 0.08 0.87 -0.70 -2.79 113.55 111.04 2dme h SER 68 Ca 0.00 -0.03 -0.18 0.00 -1.23 0.00 0.00 61.79 60.35 2dme h SER 68 Cb 0.03 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2dme h SER 68 CO 0.00 0.02 -0.96 -0.07 -0.53 0.00 0.00 176.83 175.28 2dme h LEU 69 N 0.00 0.09 -0.55 2.23 3.38 0.68 -3.34 115.31 117.80 2dme h LEU 69 Ca 0.00 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.25 2dme h LEU 69 Cb 0.96 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2dme h LEU 69 CO 0.00 1.39 0.00 0.00 0.09 0.00 0.00 178.44 179.92 2dme h MET 70 N -0.84 0.00 -0.58 1.13 -0.00 -1.58 -3.18 114.93 109.89 2dme h MET 70 Ca -0.25 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.38 2dme h MET 70 Cb 1.33 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.90 2dme h MET 70 CO -0.09 0.00 0.07 0.35 -0.00 0.00 0.00 176.91 177.23 2dme h PHE 71 N 0.00 1.01 0.00 -0.10 3.57 -1.64 -1.74 116.94 118.05 2dme h PHE 71 Ca 0.00 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.36 2dme h PHE 71 Cb 0.78 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.24 2dme h PHE 71 CO 0.00 0.88 0.00 0.09 -2.23 0.00 0.00 178.31 177.05 2dme n ASN 72 N -4.22 0.00 -0.05 0.41 3.02 -1.20 -2.46 115.26 110.76 2dme n ASN 72 Ca 0.04 0.07 -0.22 0.00 -0.03 0.00 0.00 54.58 54.44 2dme n ASN 72 Cb 0.29 -0.35 -0.13 0.00 -0.61 0.00 0.00 39.78 38.99 2dme n ASN 72 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2dme n LEU 73 N -1.35 2.32 0.00 3.41 4.77 -0.71 -4.32 117.00 121.13 2dme n LEU 73 Ca 0.11 0.28 -0.11 0.00 -0.03 0.00 0.00 56.01 56.26 2dme n LEU 73 Cb 0.24 -1.04 0.03 0.00 -2.33 0.00 0.00 43.42 40.32 2dme n LEU 73 CO 0.22 0.62 0.44 0.07 -1.33 0.00 0.00 177.39 177.40 2dme h LYS 74 N -0.40 0.59 -6.14 3.23 2.10 -1.43 -3.46 116.57 111.06 2dme h LYS 74 Ca -0.42 -0.40 -0.65 0.00 -2.00 0.00 0.00 60.65 57.19 2dme h LYS 74 Cb 1.73 0.06 0.11 0.00 -0.90 0.00 0.00 32.23 33.22 2dme h LYS 74 CO -0.06 1.01 -0.33 -3.47 -2.00 0.00 0.00 179.45 174.60 2dme n ASP 75 N -3.94 -0.47 0.04 7.07 2.03 -1.03 -4.87 116.55 115.38 2dme n ASP 75 Ca -0.04 1.15 -0.05 0.00 0.52 0.00 0.00 54.79 56.36 2dme n ASP 75 Cb 0.64 -1.05 0.14 0.00 -0.72 0.00 0.00 41.12 40.13 2dme n ASP 75 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2dme h PRO 76 N 1.31 0.41 -0.13 -0.67 0.13 -1.93 -3.21 132.00 127.91 2dme h PRO 76 Ca -0.32 -0.22 -0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2dme h PRO 76 Cb 1.41 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.54 2dme h PRO 76 CO 0.58 0.78 0.07 0.87 -0.23 0.00 0.00 178.00 180.07 2dme h LYS 77 N 0.33 0.18 -6.51 0.86 1.79 -1.95 -3.38 116.57 107.89 2dme h LYS 77 Ca 0.02 -0.02 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 2dme h LYS 77 Cb 0.92 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.46 2dme h LYS 77 CO 0.08 0.20 1.01 -0.80 -1.08 0.00 0.00 179.45 178.87 2dme s ASN 78 N -5.41 6.34 -0.11 0.86 -0.87 -1.21 -4.80 114.94 109.73 2dme s ASN 78 Ca -0.13 0.02 0.15 0.00 -1.57 0.00 0.00 52.86 51.32 2dme s ASN 78 Cb 0.07 -2.55 0.24 0.00 -0.02 0.00 0.00 41.25 38.99 2dme s ASN 78 CO 0.69 -1.59 1.13 -0.46 -2.57 0.00 0.00 177.10 174.29 2dme n ASN 79 N 8.81 1.86 0.00 -1.22 0.23 -1.26 -4.71 115.26 118.97 2dme n ASN 79 Ca 0.08 -2.92 0.00 0.00 -0.53 0.00 0.00 54.58 51.21 2dme n ASN 79 Cb 0.49 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 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 -1.13 0.00 -0.12 1.53 5.41 -1.26 -4.75 119.36 119.04 2dme n ILE 80 Ca 0.13 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.76 2dme n ILE 80 Cb 0.66 -0.52 -0.08 0.00 -0.71 0.00 0.00 39.64 38.99 2dme n ILE 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2dme h LEU 81 N 0.00 -1.58 -1.91 1.39 5.85 -1.90 0.80 115.31 117.97 2dme h LEU 81 Ca 0.00 0.21 0.22 0.00 0.84 0.00 0.00 57.88 59.15 2dme h LEU 81 Cb 0.71 0.65 -0.03 0.00 0.37 0.00 0.00 40.66 42.36 2dme h LEU 81 CO 0.00 -0.34 0.65 2.19 -0.34 0.00 0.00 178.44 180.60 2dme h PHE 82 N -0.33 0.00 0.00 1.25 -5.15 -1.89 0.55 116.94 111.38 2dme h PHE 82 Ca 0.06 0.00 -0.25 0.00 -0.20 0.00 0.00 57.97 57.58 2dme h PHE 82 Cb 0.50 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.63 2dme h PHE 82 CO -0.71 0.00 -1.36 0.87 -2.00 0.00 0.00 178.31 175.11 2dme h LYS 83 N 0.00 0.01 0.45 6.09 1.57 -0.33 -3.08 116.57 121.28 2dme h LYS 83 Ca 0.36 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.11 2dme h LYS 83 Cb 1.67 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.99 2dme h LYS 83 CO -0.00 0.76 -0.22 0.87 -0.57 0.00 0.00 179.45 180.29 2dme h LYS 84 N 0.00 -0.59 -0.39 3.15 1.57 0.57 0.16 116.57 121.05 2dme h LYS 84 Ca -0.15 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2dme h LYS 84 Cb 1.90 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 34.32 2dme h LYS 84 CO 0.11 -0.30 0.20 0.28 -0.57 0.00 0.00 179.45 179.16 2dme h VAL 85 N -0.81 1.16 0.80 0.50 2.07 -1.54 0.36 116.25 118.79 2dme h VAL 85 Ca -0.06 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 2dme h VAL 85 Cb 0.56 0.75 0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2dme h VAL 85 CO 0.10 0.17 -0.38 -0.07 0.02 0.00 0.00 177.57 177.41 2dme h LEU 86 N 0.49 -0.90 -0.94 2.57 4.07 -1.54 -2.98 115.31 116.08 2dme h LEU 86 Ca 0.13 0.02 0.09 0.00 0.08 0.00 0.00 57.88 58.21 2dme h LEU 86 Cb 0.10 0.23 -0.07 0.00 1.08 0.00 0.00 40.66 42.00 2dme h LEU 86 CO -0.02 -0.62 0.59 0.11 -1.08 0.00 0.00 178.44 177.41 2dme h LYS 87 N -1.11 0.97 0.00 1.13 1.79 -0.66 -3.46 116.57 115.23 2dme h LYS 87 Ca -0.11 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 2dme h LYS 87 Cb 0.83 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 2dme h LYS 87 CO 0.18 0.64 0.00 0.41 -1.08 0.00 0.00 179.45 179.60 2dme n GLY 88 N -1.34 1.40 0.34 3.86 0.00 0.23 -5.01 105.19 104.66 2dme n GLY 88 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 2dme n GLY 88 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dme h GLU 89 N 0.00 -0.01 -6.48 1.61 4.39 -0.67 -3.40 114.58 110.02 2dme h GLU 89 Ca 0.00 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 59.05 2dme h GLU 89 Cb 0.00 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.51 2dme h GLU 89 CO 0.00 -0.01 -0.71 0.08 -1.16 0.00 0.00 179.01 177.21 2dme s VAL 90 N -6.18 3.52 0.12 3.13 1.01 -0.84 -4.94 120.40 116.21 2dme s VAL 90 Ca -0.15 -1.28 0.02 0.00 0.00 0.00 0.00 61.98 60.57 2dme s VAL 90 Cb 0.23 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 2dme s VAL 90 CO 0.75 0.06 0.23 0.42 0.00 0.00 0.00 175.10 176.56 2dme s THR 91 N -1.36 5.20 -1.29 3.92 -4.23 -1.26 -4.06 115.64 112.56 2dme s THR 91 Ca 0.23 -0.64 0.15 0.00 -1.18 0.00 0.00 61.69 60.25 2dme s THR 91 Cb -0.11 -3.62 0.21 0.00 1.34 0.00 0.00 72.50 70.33 2dme s THR 91 CO 0.15 0.00 1.42 -0.81 -0.54 0.00 0.00 174.62 174.85 2dme n PRO 92 N -0.17 0.14 -0.13 3.99 -0.04 -1.26 -1.28 135.00 136.25 2dme n PRO 92 Ca -0.07 0.18 -0.24 0.00 -0.04 0.00 0.00 63.50 63.34 2dme n PRO 92 Cb 0.53 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.38 2dme n PRO 92 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2dme n ASP 93 N -1.36 1.97 0.09 3.54 9.92 -1.26 -4.37 116.55 125.08 2dme n ASP 93 Ca 0.06 0.14 -0.06 0.00 -0.53 0.00 0.00 54.79 54.39 2dme n ASP 93 Cb 0.13 -0.66 0.06 0.00 -0.64 0.00 0.00 41.12 40.02 2dme n ASP 93 CO 0.00 0.00 0.00 -0.74 0.13 0.00 0.00 177.20 176.59 2dme h HIS 94 N -0.53 0.28 -1.20 1.24 2.76 -1.95 -3.15 115.15 112.60 2dme h HIS 94 Ca -0.62 -0.13 0.35 0.00 -2.20 0.00 0.00 60.37 57.77 2dme h HIS 94 Cb 1.74 -0.04 -0.05 0.00 1.55 0.00 0.00 27.41 30.61 2dme h HIS 94 CO -0.02 0.86 0.95 1.25 -1.30 0.00 0.00 177.93 179.67 2dme h LEU 95 N 0.14 0.00 -0.03 0.26 5.85 -1.41 0.79 115.31 120.90 2dme h LEU 95 Ca -0.02 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.44 2dme h LEU 95 Cb 1.29 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.33 2dme h LEU 95 CO 0.11 0.00 -1.05 0.40 -0.34 0.00 0.00 178.44 177.57 2dme h ILE 96 N 0.00 1.31 0.00 4.05 2.04 -1.79 -3.16 117.51 119.96 2dme h ILE 96 Ca 0.57 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 64.09 2dme h ILE 96 Cb 2.47 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 40.99 2dme h ILE 96 CO -0.01 0.71 0.00 0.03 0.00 0.00 0.00 178.15 178.89 2dme h ARG 97 N 0.34 0.00 -6.53 2.37 3.08 0.39 -3.44 114.38 110.59 2dme h ARG 97 Ca -0.12 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.40 2dme h ARG 97 Cb 1.70 0.00 0.04 0.00 0.08 0.00 0.00 29.97 31.79 2dme h ARG 97 CO 0.20 0.00 1.11 -1.33 -1.07 0.00 0.00 179.97 178.88 2dme n MET 98 N -3.03 2.83 -1.18 0.04 2.81 -0.51 -4.95 117.12 113.12 2dme n MET 98 Ca 0.01 1.03 -0.32 0.00 -1.81 0.00 0.00 57.70 56.61 2dme n MET 98 Cb 0.33 -2.92 0.11 0.00 -0.71 0.00 0.00 33.22 30.03 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 2.55 4.02 0.08 7.83 0.01 -1.26 -4.86 113.70 122.07 2dme s SER 99 Ca 0.81 2.06 0.17 0.00 1.31 0.00 0.00 55.95 60.30 2dme s SER 99 Cb -0.47 -2.55 0.73 0.00 0.21 0.00 0.00 66.02 63.93 2dme s SER 99 CO 0.36 -2.36 1.54 -0.81 0.41 0.00 0.00 173.24 172.38 2dme n PRO 100 N -3.45 0.06 0.00 12.44 -0.04 -1.26 -2.04 135.00 140.71 2dme n PRO 100 Ca 0.11 0.31 0.10 0.00 -0.04 0.00 0.00 63.50 63.99 2dme n PRO 100 Cb 0.52 -1.62 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 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 -1.74 0.15 -0.03 0.54 2.13 -1.26 -4.35 120.64 116.08 2dme n GLU 101 Ca 0.03 -0.04 -0.19 0.00 0.66 0.00 0.00 57.16 57.62 2dme n GLU 101 Cb 0.18 -1.51 -0.14 0.00 0.27 0.00 0.00 31.44 30.25 2dme n GLU 101 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2dme n GLU 102 N -1.69 0.72 0.04 5.31 1.02 -0.87 -3.71 120.64 121.47 2dme n GLU 102 Ca 0.02 0.23 0.21 0.00 -0.02 0.00 0.00 57.16 57.61 2dme n GLU 102 Cb 0.39 -1.67 0.62 0.00 -0.02 0.00 0.00 31.44 30.76 2dme n GLU 102 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2dme h LEU 103 N 0.05 0.00 0.00 -4.62 3.38 -1.68 1.03 115.31 113.47 2dme h LEU 103 Ca -0.45 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 2dme h LEU 103 Cb 2.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.75 2dme h LEU 103 CO 0.05 0.00 -1.76 0.00 0.09 0.00 0.00 178.44 176.82 2dme n ALA 104 N -2.21 2.48 -0.35 1.53 0.00 -1.26 -4.34 120.51 116.36 2dme n ALA 104 Ca 0.11 -0.56 0.30 0.00 0.00 0.00 0.00 53.44 53.29 2dme n ALA 104 Cb 0.89 -0.78 0.56 0.00 0.00 0.00 0.00 19.45 20.12 2dme n ALA 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dme h SER 105 N 0.00 0.37 -6.97 0.00 0.87 0.11 -3.44 113.55 104.49 2dme h SER 105 Ca -0.09 0.21 -0.59 0.00 -1.23 0.00 0.00 61.79 60.09 2dme h SER 105 Cb 1.22 0.20 -0.27 0.00 -0.44 0.00 0.00 62.40 63.11 2dme h SER 105 CO 0.01 -0.28 -0.89 0.29 -0.53 0.00 0.00 176.83 175.42 2dme n LYS 106 N -5.07 -1.81 -3.43 2.24 5.02 -1.25 -4.90 118.16 108.96 2dme n LYS 106 Ca 0.36 0.23 -0.33 0.00 -2.02 0.00 0.00 58.31 56.55 2dme n LYS 106 Cb 1.22 -4.63 -0.05 0.00 -0.02 0.00 0.00 35.03 31.54 2dme n LYS 106 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2dme s GLU 107 N -7.10 3.85 0.00 1.97 2.02 -1.26 -5.04 118.70 113.14 2dme s GLU 107 Ca 0.58 0.32 0.00 0.00 0.02 0.00 0.00 54.97 55.89 2dme s GLU 107 Cb -0.33 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.11 2dme s GLU 107 CO 0.98 0.41 0.00 -0.11 0.02 0.00 0.00 175.26 176.55 2dme n LEU 108 N 0.31 0.00 -0.67 1.80 7.94 -1.26 -4.56 117.00 120.56 2dme n LEU 108 Ca -0.03 0.00 0.51 0.00 -1.11 0.00 0.00 56.01 55.39 2dme n LEU 108 Cb 0.52 -0.32 0.81 0.00 0.53 0.00 0.00 43.42 44.96 2dme n LEU 108 CO 0.44 -0.39 1.46 0.00 -1.11 0.00 0.00 177.39 177.79 2dme h ALA 109 N -1.65 3.74 -0.48 1.96 0.00 -1.96 0.44 119.26 121.29 2dme h ALA 109 Ca 0.00 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.96 2dme h ALA 109 Cb 0.00 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 2dme h ALA 109 CO 0.00 -2.31 -0.01 0.00 0.00 0.00 0.00 179.25 176.93 2dme h ALA 110 N 1.09 0.45 -0.35 0.00 0.00 -2.00 -2.62 119.26 115.82 2dme h ALA 110 Ca 0.92 0.15 0.04 0.00 0.00 0.00 0.00 54.91 56.02 2dme h ALA 110 Cb 3.62 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 21.59 2dme h ALA 110 CO -0.06 -0.39 -0.52 -1.49 0.00 0.00 0.00 179.25 176.79 2dme h TRP 111 N 0.11 -1.59 -1.25 0.00 -0.00 -0.36 -3.45 115.95 109.40 2dme h TRP 111 Ca 0.24 0.08 0.16 0.00 -0.00 0.00 0.00 58.89 59.37 2dme h TRP 111 Cb 0.36 0.74 -0.31 0.00 -0.00 0.00 0.00 29.16 29.96 2dme h TRP 111 CO -0.31 -0.47 0.65 0.50 -0.00 0.00 0.00 178.44 178.82 2dme s ARG 112 N -5.47 0.19 -0.89 0.49 3.52 -0.99 -5.05 118.95 110.75 2dme s ARG 112 Ca -0.13 0.29 -0.04 0.00 -0.13 0.00 0.00 55.73 55.71 2dme s ARG 112 Cb 0.08 0.06 0.12 0.00 -1.56 0.00 0.00 34.95 33.65 2dme s ARG 112 CO 0.57 -0.03 2.50 0.54 -0.81 0.00 0.00 175.30 178.07 2dme n ARG 113 N 2.75 3.60 -0.05 5.12 1.74 -1.25 -4.25 116.66 124.31 2dme n ARG 113 Ca -0.15 -3.07 -0.05 0.00 -0.77 0.00 0.00 57.85 53.81 2dme n ARG 113 Cb 0.57 -2.38 -0.07 0.00 -1.02 0.00 0.00 32.46 29.55 2dme n ARG 113 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2dme n ARG 114 N 1.08 2.01 -4.09 5.56 0.63 -1.26 -4.98 116.66 115.62 2dme n ARG 114 Ca 0.55 0.01 -0.26 0.00 -0.92 0.00 0.00 57.85 57.23 2dme n ARG 114 Cb 0.38 -1.24 -0.17 0.00 0.45 0.00 0.00 32.46 31.88 2dme n ARG 114 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2dme s SER 115 N -4.37 2.01 -0.58 6.15 1.04 -1.26 -5.07 113.70 111.62 2dme s SER 115 Ca -0.07 -0.29 0.06 0.00 0.48 0.00 0.00 55.95 56.13 2dme s SER 115 Cb 0.03 -0.81 0.23 0.00 0.10 0.00 0.00 66.02 65.57 2dme s SER 115 CO 0.37 -0.08 0.63 0.61 0.98 0.00 0.00 173.24 175.75 2dme n GLY 116 N 4.62 4.08 0.00 7.32 0.00 -1.26 -4.89 105.19 115.05 2dme n GLY 116 Ca -0.16 -2.37 0.07 0.00 0.00 0.00 0.00 46.02 43.57 2dme n GLY 116 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dme n PRO 117 N 1.25 0.22 -3.88 1.61 -0.04 -1.26 -4.87 135.00 128.02 2dme n PRO 117 Ca 0.26 0.14 -0.27 0.00 -0.04 0.00 0.00 63.50 63.60 2dme n PRO 117 Cb 0.44 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.41 2dme n PRO 117 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dme n SER 118 N -1.28 -2.40 -4.56 3.54 2.88 -1.26 -4.90 113.62 105.65 2dme n SER 118 Ca 0.07 -0.87 -0.43 0.00 -1.33 0.00 0.00 58.87 56.31 2dme n SER 118 Cb 0.12 -3.64 -0.04 0.00 -0.75 0.00 0.00 64.21 59.89 2dme n SER 118 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dme s SER 119 N -3.91 6.47 0.00 -3.46 0.01 -1.26 -5.33 113.70 106.22 2dme s SER 119 Ca 0.30 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.59 2dme s SER 119 Cb -0.15 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2dme s SER 119 CO 0.85 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 174.03