#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 7.12 -0.25 1.61 0.15 -1.26 -5.05 113.70 116.02 2dme s SER 2 Ca 0.00 2.04 -0.09 0.00 0.70 0.00 0.00 55.95 58.61 2dme s SER 2 Cb 0.00 -2.60 0.11 0.00 -1.71 0.00 0.00 66.02 61.82 2dme s SER 2 CO 0.00 -0.23 0.55 -0.94 1.20 0.00 0.00 173.24 173.81 2dme s SER 3 N -1.36 -0.75 0.00 5.45 1.04 -1.26 -5.12 113.70 111.70 2dme s SER 3 Ca 0.51 1.32 0.00 0.00 0.48 0.00 0.00 55.95 58.25 2dme s SER 3 Cb -0.24 1.86 0.00 0.00 0.10 0.00 0.00 66.02 67.74 2dme s SER 3 CO 0.31 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.91 2dme n GLY 4 N 5.40 3.31 3.78 7.32 0.00 -1.26 -5.18 105.19 118.55 2dme n GLY 4 Ca -0.11 -1.28 0.01 0.00 0.00 0.00 0.00 46.02 44.64 2dme n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dme s SER 5 N 0.00 -0.04 0.01 1.61 1.04 -1.26 -5.06 113.70 109.99 2dme s SER 5 Ca 0.00 -0.26 -0.25 0.00 0.48 0.00 0.00 55.95 55.92 2dme s SER 5 Cb 0.00 0.24 -0.16 0.00 0.10 0.00 0.00 66.02 66.20 2dme s SER 5 CO 0.00 -0.46 1.21 0.28 0.98 0.00 0.00 173.24 175.25 2dme h SER 6 N 2.00 -0.38 -4.45 7.02 0.02 -2.08 -3.45 113.55 112.24 2dme h SER 6 Ca -0.27 -0.16 -0.67 0.00 -0.84 0.00 0.00 61.79 59.85 2dme h SER 6 Cb 1.20 0.10 -0.28 0.00 0.14 0.00 0.00 62.40 63.56 2dme h SER 6 CO 0.30 -0.01 -0.87 -0.83 -1.14 0.00 0.00 176.83 174.28 2dme s GLY 7 N -2.72 1.24 -0.76 -3.77 0.00 -1.26 -5.07 107.32 94.97 2dme s GLY 7 Ca -0.14 -1.11 -0.26 0.00 0.00 0.00 0.00 44.72 43.21 2dme s GLY 7 CO 0.53 -0.96 1.57 -0.56 0.00 0.00 0.00 173.10 173.68 2dme s SER 8 N -0.83 5.81 -0.03 1.64 0.01 -1.26 -4.66 113.70 114.38 2dme s SER 8 Ca 0.10 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.97 2dme s SER 8 Cb -0.09 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 2dme s SER 8 CO 0.00 -2.07 -0.02 0.00 0.41 0.00 0.00 173.24 171.56 2dme n ALA 9 N 10.92 2.04 -0.07 1.44 0.00 -1.26 -4.51 120.51 129.07 2dme n ALA 9 Ca 0.18 -0.11 0.19 0.00 0.00 0.00 0.00 53.44 53.70 2dme n ALA 9 Cb 0.50 0.44 0.63 0.00 0.00 0.00 0.00 19.45 21.02 2dme n ALA 9 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2dme h ASP 10 N -0.01 0.14 0.33 0.00 1.82 -2.01 -2.57 116.42 114.11 2dme h ASP 10 Ca -0.06 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.57 2dme h ASP 10 Cb 1.08 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.08 2dme h ASP 10 CO -0.01 0.07 -0.16 -0.61 -1.61 0.00 0.00 179.24 176.92 2dme h GLN 11 N 0.15 -0.43 -0.89 0.28 5.75 -1.95 -2.69 115.11 115.32 2dme h GLN 11 Ca 0.31 0.03 0.26 0.00 -0.15 0.00 0.00 58.65 59.09 2dme h GLN 11 Cb 1.01 0.10 -0.16 0.00 1.07 0.00 0.00 27.48 29.49 2dme h GLN 11 CO -0.04 -0.23 0.06 -0.89 -2.65 0.00 0.00 178.83 175.07 2dme n ILE 12 N -5.07 -0.37 -0.05 2.39 5.41 -0.99 0.89 119.36 121.57 2dme n ILE 12 Ca -0.06 1.93 -0.12 0.00 1.00 0.00 0.00 62.75 65.50 2dme n ILE 12 Cb 0.20 -2.85 -0.07 0.00 -0.71 0.00 0.00 39.64 36.21 2dme n ILE 12 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2dme h ARG 13 N 0.00 0.29 -0.02 0.38 3.08 -1.58 -2.72 114.38 113.81 2dme h ARG 13 Ca 0.56 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 60.53 2dme h ARG 13 Cb 1.19 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 31.18 2dme h ARG 13 CO -0.82 0.58 -0.26 0.37 -1.07 0.00 0.00 179.97 178.77 2dme h GLN 14 N -0.03 -0.38 -0.95 0.04 5.75 0.86 -1.48 115.11 118.93 2dme h GLN 14 Ca 0.04 0.03 0.14 0.00 -0.15 0.00 0.00 58.65 58.70 2dme h GLN 14 Cb 0.48 0.09 -0.08 0.00 1.07 0.00 0.00 27.48 29.04 2dme h GLN 14 CO 0.02 -0.25 0.61 1.03 -2.65 0.00 0.00 178.83 177.58 2dme h SER 15 N -0.39 0.79 -0.93 -0.69 0.87 -0.97 -0.56 113.55 111.66 2dme h SER 15 Ca 0.07 0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.73 2dme h SER 15 Cb 0.48 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.28 2dme h SER 15 CO -0.24 0.40 0.60 0.58 -0.53 0.00 0.00 176.83 177.63 2dme h VAL 16 N 0.84 1.11 0.70 2.23 2.07 -0.95 -2.13 116.25 120.12 2dme h VAL 16 Ca 0.48 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 2dme h VAL 16 Cb 0.64 -0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2dme h VAL 16 CO -0.25 0.20 -0.34 0.03 0.02 0.00 0.00 177.57 177.24 2dme h ARG 17 N 1.12 -0.91 -0.37 1.57 3.08 -0.65 -2.94 114.38 115.28 2dme h ARG 17 Ca 0.39 0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.54 2dme h ARG 17 Cb 0.10 0.21 -0.06 0.00 0.08 0.00 0.00 29.97 30.29 2dme h ARG 17 CO -0.15 -0.61 -0.41 0.45 -1.07 0.00 0.00 179.97 178.18 2dme h HIS 18 N -1.03 -1.28 -0.49 3.04 3.86 -1.40 -2.23 115.15 115.62 2dme h HIS 18 Ca -0.10 0.07 0.04 0.00 -1.16 0.00 0.00 60.37 59.22 2dme h HIS 18 Cb 0.72 0.61 -0.06 0.00 1.06 0.00 0.00 27.41 29.74 2dme h HIS 18 CO 0.05 -0.34 -0.29 0.45 0.86 0.00 0.00 177.93 178.65 2dme n SER 19 N -4.65 -0.52 -0.30 2.45 2.88 -0.81 -0.48 113.62 112.19 2dme n SER 19 Ca -0.02 1.22 -0.08 0.00 -1.33 0.00 0.00 58.87 58.66 2dme n SER 19 Cb 0.24 -0.29 -0.05 0.00 -0.75 0.00 0.00 64.21 63.36 2dme n SER 19 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2dme h LEU 20 N 0.00 -1.75 -1.91 2.46 3.38 -1.23 0.98 115.31 117.24 2dme h LEU 20 Ca 0.08 0.29 0.17 0.00 0.09 0.00 0.00 57.88 58.51 2dme h LEU 20 Cb 0.20 0.80 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 2dme h LEU 20 CO -0.46 -0.30 0.46 0.50 0.09 0.00 0.00 178.44 178.73 2dme h LYS 21 N -0.13 0.08 -0.12 1.13 3.64 -0.30 -0.94 116.57 119.93 2dme h LYS 21 Ca 0.19 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2dme h LYS 21 Cb 0.53 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2dme h LYS 21 CO -0.82 0.05 0.04 0.22 -2.27 0.00 0.00 179.45 176.67 2dme h ASP 22 N 0.08 0.18 0.49 4.20 3.58 0.31 -1.32 116.42 123.95 2dme h ASP 22 Ca 0.31 -0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 2dme h ASP 22 Cb 1.12 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.13 2dme h ASP 22 CO -0.03 0.33 -0.24 0.40 -2.88 0.00 0.00 179.24 176.83 2dme h ILE 23 N 0.02 0.00 -0.61 2.25 2.04 -0.46 -2.46 117.51 118.29 2dme h ILE 23 Ca 0.04 -0.16 0.18 0.00 1.00 0.00 0.00 64.86 65.91 2dme h ILE 23 Cb 0.22 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 2dme h ILE 23 CO -0.00 0.00 0.66 -0.07 0.00 0.00 0.00 178.15 178.74 2dme h LEU 24 N -0.83 0.00 0.23 1.44 3.38 -1.47 0.16 115.31 118.23 2dme h LEU 24 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2dme h LEU 24 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2dme h LEU 24 CO 0.11 0.00 -0.11 0.24 0.09 0.00 0.00 178.44 178.77 2dme h MET 25 N 0.00 -0.30 0.00 1.13 2.86 -1.05 0.58 114.93 118.15 2dme h MET 25 Ca 0.29 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 2dme h MET 25 Cb 1.61 0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.34 2dme h MET 25 CO -0.00 -0.20 0.00 1.57 1.06 0.00 0.00 176.91 179.34 2dme h LYS 26 N -0.54 0.00 0.07 1.72 5.09 -0.89 0.14 116.57 122.16 2dme h LYS 26 Ca -0.03 0.00 -0.31 0.00 0.09 0.00 0.00 60.65 60.40 2dme h LYS 26 Cb 0.24 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.54 2dme h LYS 26 CO 0.05 0.00 -1.66 0.00 -2.09 0.00 0.00 179.45 175.75 2dme h ARG 27 N 0.00 0.15 0.19 0.07 2.47 -0.72 -3.28 114.38 113.26 2dme h ARG 27 Ca 0.00 -0.25 -0.33 0.00 -1.26 0.00 0.00 59.98 58.14 2dme h ARG 27 Cb 0.14 0.09 0.02 0.00 -1.65 0.00 0.00 29.97 28.56 2dme h ARG 27 CO 0.00 0.90 -1.60 1.37 0.56 0.00 0.00 179.97 181.21 2dme h LEU 28 N 0.04 0.64 -2.52 3.04 8.10 0.02 -2.69 115.31 121.94 2dme h LEU 28 Ca -0.28 -0.93 -0.00 0.00 0.11 0.00 0.00 57.88 56.78 2dme h LEU 28 Cb 2.00 -0.21 -0.00 0.00 -0.44 0.00 0.00 40.66 42.01 2dme h LEU 28 CO 0.11 1.73 -0.02 0.00 -4.11 0.00 0.00 178.44 176.16 2dme h THR 29 N 0.03 0.34 0.10 0.15 1.03 -0.94 -2.49 112.91 111.14 2dme h THR 29 Ca -0.31 -0.11 -0.36 0.00 -0.01 0.00 0.00 66.41 65.62 2dme h THR 29 Cb 2.05 1.08 -0.03 0.00 -1.07 0.00 0.00 68.15 70.18 2dme h THR 29 CO 0.18 0.02 -2.05 -0.67 -0.01 0.00 0.00 175.52 172.99 2dme n ASP 30 N -3.53 1.99 -4.49 0.00 2.03 -1.24 -4.96 116.55 106.35 2dme n ASP 30 Ca -0.03 0.17 -0.29 0.00 0.52 0.00 0.00 54.79 55.16 2dme n ASP 30 Cb 0.11 -0.72 0.16 0.00 -0.72 0.00 0.00 41.12 39.95 2dme n ASP 30 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2dme s SER 31 N -6.88 3.15 -0.18 1.67 0.01 -0.94 -4.92 113.70 105.61 2dme s SER 31 Ca -0.23 0.72 -0.00 0.00 1.31 0.00 0.00 55.95 57.75 2dme s SER 31 Cb 0.07 -1.10 0.14 0.00 0.21 0.00 0.00 66.02 65.34 2dme s SER 31 CO 0.75 -2.75 1.89 -0.46 0.41 0.00 0.00 173.24 173.09 2dme n ASN 32 N -3.86 5.59 -0.07 2.44 6.94 -1.26 -4.28 115.26 120.76 2dme n ASN 32 Ca 0.10 -2.75 -0.07 0.00 -0.02 0.00 0.00 54.58 51.83 2dme n ASN 32 Cb 0.60 -1.01 -0.05 0.00 -2.36 0.00 0.00 39.78 36.96 2dme n ASN 32 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2dme h LEU 33 N 2.44 0.00 -1.33 -4.53 3.38 -1.92 -3.49 115.31 109.87 2dme h LEU 33 Ca 0.18 -0.26 -0.37 0.00 0.09 0.00 0.00 57.88 57.52 2dme h LEU 33 Cb 1.04 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.93 2dme h LEU 33 CO 0.44 0.81 -0.74 0.29 0.09 0.00 0.00 178.44 179.33 2dme n LYS 34 N -4.65 -6.96 -3.70 1.13 5.02 -1.26 -4.99 118.16 102.74 2dme n LYS 34 Ca -0.09 0.81 -0.30 0.00 -2.02 0.00 0.00 58.31 56.72 2dme n LYS 34 Cb 0.26 -5.81 -0.04 0.00 -0.02 0.00 0.00 35.03 29.43 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 -3.37 5.21 0.43 -0.18 -7.23 -1.26 -5.08 120.40 108.92 2dme s VAL 35 Ca 0.26 -0.17 -0.24 0.00 -1.81 0.00 0.00 61.98 60.01 2dme s VAL 35 Cb -0.11 -3.67 -0.08 0.00 0.56 0.00 0.00 36.38 33.08 2dme s VAL 35 CO 0.74 -0.04 1.18 -2.16 -0.31 0.00 0.00 175.10 174.51 2dme s PRO 36 N -2.92 3.91 0.36 4.82 0.04 -1.26 -4.91 135.00 135.04 2dme s PRO 36 Ca 0.39 1.84 0.17 0.00 0.04 0.00 0.00 61.00 63.44 2dme s PRO 36 Cb -0.12 -2.56 1.11 0.00 0.04 0.00 0.00 34.50 32.97 2dme s PRO 36 CO 0.27 -0.44 1.69 1.49 0.04 0.00 0.00 177.00 180.05 2dme h GLU 37 N 2.38 0.34 -1.03 4.56 4.22 -2.01 0.41 114.58 123.44 2dme h GLU 37 Ca -0.49 -0.02 0.26 0.00 0.08 0.00 0.00 59.36 59.19 2dme h GLU 37 Cb 1.24 -0.08 -0.11 0.00 0.50 0.00 0.00 28.75 30.30 2dme h GLU 37 CO 0.61 0.22 0.63 1.49 -2.18 0.00 0.00 179.01 179.79 2dme h GLU 38 N 0.35 0.48 0.27 1.92 4.81 -1.99 -1.77 114.58 118.65 2dme h GLU 38 Ca 0.70 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.89 2dme h GLU 38 Cb 1.70 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.97 2dme h GLU 38 CO -0.49 0.32 -0.20 -0.22 -0.73 0.00 0.00 179.01 177.69 2dme h LYS 39 N 0.50 -0.44 -0.08 1.92 1.63 -0.53 0.29 116.57 119.85 2dme h LYS 39 Ca 0.63 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 60.48 2dme h LYS 39 Cb 1.37 0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 33.04 2dme h LYS 39 CO -0.40 -0.29 -0.52 0.00 -3.45 0.00 0.00 179.45 174.79 2dme h ALA 40 N -1.52 -0.90 -0.07 5.00 0.00 -1.51 -1.98 119.26 118.29 2dme h ALA 40 Ca -0.04 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2dme h ALA 40 Cb 0.38 0.97 -0.06 0.00 0.00 0.00 0.00 17.79 19.08 2dme h ALA 40 CO 0.01 -1.07 -0.53 0.00 0.00 0.00 0.00 179.25 177.66 2dme h ALA 41 N -0.40 -0.90 -0.97 0.00 0.00 -1.36 -1.17 119.26 114.46 2dme h ALA 41 Ca 0.02 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.01 2dme h ALA 41 Cb 0.66 0.97 -0.15 0.00 0.00 0.00 0.00 17.79 19.27 2dme h ALA 41 CO -0.39 -1.09 -0.40 1.63 0.00 0.00 0.00 179.25 179.00 2dme n LYS 42 N -5.45 -0.25 0.34 0.00 5.02 0.10 -0.62 118.16 117.30 2dme n LYS 42 Ca -0.07 1.49 -0.16 0.00 -2.02 0.00 0.00 58.31 57.55 2dme n LYS 42 Cb 0.39 -2.21 -0.08 0.00 -0.02 0.00 0.00 35.03 33.11 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 0.00 -1.32 -0.18 2.07 -0.69 -2.17 116.25 113.96 2dme h VAL 43 Ca 0.32 0.00 0.40 0.00 0.82 0.00 0.00 66.70 68.24 2dme h VAL 43 Cb 0.56 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.23 2dme h VAL 43 CO -0.96 0.00 0.89 0.00 0.02 0.00 0.00 177.57 177.52 2dme h ALA 44 N -1.24 2.83 -0.44 1.67 0.00 0.02 0.92 119.26 123.02 2dme h ALA 44 Ca -0.08 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2dme h ALA 44 Cb 0.79 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2dme h ALA 44 CO 0.06 -1.36 -0.22 1.15 0.00 0.00 0.00 179.25 178.88 2dme h THR 45 N 0.13 1.27 -0.14 0.00 2.02 -0.25 -3.19 112.91 112.75 2dme h THR 45 Ca 0.75 -1.36 -0.09 0.00 0.77 0.00 0.00 66.41 66.48 2dme h THR 45 Cb 2.45 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 70.03 2dme h THR 45 CO -0.28 0.46 -0.28 0.11 0.37 0.00 0.00 175.52 175.90 2dme h LYS 46 N 0.77 0.44 -0.83 6.66 6.56 0.13 -2.69 116.57 127.60 2dme h LYS 46 Ca 0.10 -0.28 0.07 0.00 -1.06 0.00 0.00 60.65 59.48 2dme h LYS 46 Cb 0.76 0.04 -0.10 0.00 -0.57 0.00 0.00 32.23 32.36 2dme h LYS 46 CO 0.06 0.89 -0.49 -0.89 -2.06 0.00 0.00 179.45 176.96 2dme n ILE 47 N -4.41 -0.57 -0.08 1.86 2.08 -0.36 -0.52 119.36 117.36 2dme n ILE 47 Ca -0.07 2.06 -0.12 0.00 0.56 0.00 0.00 62.75 65.18 2dme n ILE 47 Cb 0.46 -2.55 -0.05 0.00 -0.75 0.00 0.00 39.64 36.76 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 0.46 -1.46 0.38 3.07 -1.65 0.34 114.58 115.72 2dme h GLU 48 Ca 0.13 -0.18 0.44 0.00 -0.50 0.00 0.00 59.36 59.25 2dme h GLU 48 Cb 0.34 -0.02 -0.09 0.00 -0.84 0.00 0.00 28.75 28.14 2dme h GLU 48 CO -0.78 0.70 1.01 -0.22 -1.40 0.00 0.00 179.01 178.31 2dme h LYS 49 N 0.19 0.07 0.03 2.33 3.64 -0.45 0.47 116.57 122.85 2dme h LYS 49 Ca 0.06 -0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 59.05 2dme h LYS 49 Cb 0.54 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.29 2dme h LYS 49 CO 0.03 0.04 -2.25 -1.91 -2.27 0.00 0.00 179.45 173.09 2dme n GLU 50 N -4.32 0.65 0.45 1.90 0.00 -0.14 -4.15 120.64 115.03 2dme n GLU 50 Ca 0.35 0.26 -0.20 0.00 0.00 0.00 0.00 57.16 57.57 2dme n GLU 50 Cb 1.50 -1.58 -0.10 0.00 0.00 0.00 0.00 31.44 31.27 2dme n GLU 50 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2dme h LEU 51 N -0.39 -1.17 -1.11 4.31 5.85 0.81 0.21 115.31 123.82 2dme h LEU 51 Ca -0.55 0.06 0.31 0.00 0.84 0.00 0.00 57.88 58.53 2dme h LEU 51 Cb 1.77 0.33 -0.13 0.00 0.37 0.00 0.00 40.66 43.00 2dme h LEU 51 CO -0.16 -0.75 0.62 0.15 -0.34 0.00 0.00 178.44 177.96 2dme h PHE 52 N -1.21 0.86 -0.03 1.25 3.57 -0.39 0.12 116.94 121.12 2dme h PHE 52 Ca -0.11 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 2dme h PHE 52 Cb 0.96 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.47 2dme h PHE 52 CO -0.08 -0.09 -0.12 1.03 -2.23 0.00 0.00 178.31 176.82 2dme h SER 53 N 0.36 0.15 -0.67 0.41 0.87 -1.61 1.00 113.55 114.06 2dme h SER 53 Ca 0.70 -0.66 0.09 0.00 -1.23 0.00 0.00 61.79 60.70 2dme h SER 53 Cb 1.66 -0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 63.50 2dme h SER 53 CO -0.51 0.79 0.31 0.15 -0.53 0.00 0.00 176.83 177.04 2dme h PHE 54 N -0.47 0.55 0.00 2.24 3.04 0.17 -1.56 116.94 120.90 2dme h PHE 54 Ca -0.01 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2dme h PHE 54 Cb 0.79 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.15 2dme h PHE 54 CO 0.15 0.18 -0.90 1.19 -2.02 0.00 0.00 178.31 176.91 2dme n PHE 55 N -4.91 0.64 -2.75 0.41 3.01 0.18 -4.93 117.46 109.12 2dme n PHE 55 Ca 0.10 0.19 -0.09 0.00 1.01 0.00 0.00 57.45 58.66 2dme n PHE 55 Cb 0.28 -0.73 -0.02 0.00 -0.01 0.00 0.00 39.48 39.01 2dme n PHE 55 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 2dme n ARG 56 N -2.31 -2.34 -3.64 -1.08 1.85 0.35 -4.78 116.66 104.71 2dme n ARG 56 Ca 0.01 0.03 -0.05 0.00 -1.00 0.00 0.00 57.85 56.84 2dme n ARG 56 Cb 0.49 -4.11 -0.07 0.00 -1.05 0.00 0.00 32.46 27.72 2dme n ARG 56 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 2dme s ASP 57 N -2.08 -0.20 -1.15 2.89 1.47 -1.23 -5.03 116.67 111.34 2dme s ASP 57 Ca 0.17 0.36 -0.04 0.00 1.18 0.00 0.00 52.55 54.23 2dme s ASP 57 Cb -0.10 0.36 0.20 0.00 -0.34 0.00 0.00 42.92 43.04 2dme s ASP 57 CO 0.21 -0.08 2.18 0.35 0.68 0.00 0.00 175.17 178.51 2dme n THR 58 N 1.63 5.43 -2.76 2.11 -2.24 -1.26 -4.57 114.28 112.62 2dme n THR 58 Ca -0.10 -4.89 -0.20 0.00 -2.27 0.00 0.00 64.05 56.59 2dme n THR 58 Cb 0.57 -1.82 0.03 0.00 -2.10 0.00 0.00 70.33 67.01 2dme n THR 58 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2dme s ASP 59 N -0.33 5.36 0.32 3.42 1.01 -1.26 -4.92 116.67 120.27 2dme s ASP 59 Ca 0.49 -0.16 0.07 0.00 0.71 0.00 0.00 52.55 53.65 2dme s ASP 59 Cb 0.21 -0.76 0.90 0.00 1.01 0.00 0.00 42.92 44.28 2dme s ASP 59 CO -0.13 -1.05 1.59 0.00 0.21 0.00 0.00 175.17 175.80 2dme h ALA 60 N 0.23 1.47 0.44 5.23 0.00 -2.00 -0.56 119.26 124.06 2dme h ALA 60 Ca -0.41 0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2dme h ALA 60 Cb 1.29 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 2dme h ALA 60 CO 0.49 -0.64 -0.36 0.87 0.00 0.00 0.00 179.25 179.61 2dme h LYS 61 N 0.06 -0.75 -0.40 0.00 1.57 -1.95 0.12 116.57 115.22 2dme h LYS 61 Ca 0.66 0.05 0.04 0.00 -1.87 0.00 0.00 60.65 59.52 2dme h LYS 61 Cb 1.47 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 33.90 2dme h LYS 61 CO -0.82 -0.50 -0.24 0.98 -0.57 0.00 0.00 179.45 178.30 2dme n TYR 62 N -4.61 -0.18 0.08 -1.35 9.36 -0.23 -0.28 117.16 119.95 2dme n TYR 62 Ca -0.09 0.51 -0.12 0.00 3.32 0.00 0.00 57.90 61.51 2dme n TYR 62 Cb 0.34 -0.47 -0.06 0.00 -0.63 0.00 0.00 39.34 38.52 2dme n TYR 62 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 2dme h LYS 63 N 0.00 -0.23 -1.00 2.98 1.57 -1.48 -2.13 116.57 116.28 2dme h LYS 63 Ca 0.06 0.02 0.39 0.00 -1.87 0.00 0.00 60.65 59.25 2dme h LYS 63 Cb 0.17 0.05 -0.17 0.00 0.08 0.00 0.00 32.23 32.36 2dme h LYS 63 CO -0.38 -0.15 0.54 -0.97 -0.57 0.00 0.00 179.45 177.92 2dme h ASN 64 N -0.24 0.36 -0.10 0.86 -1.24 0.21 0.76 115.58 116.20 2dme h ASN 64 Ca 0.02 0.24 -0.15 0.00 0.71 0.00 0.00 56.30 57.13 2dme h ASN 64 Cb 0.25 0.24 0.01 0.00 0.73 0.00 0.00 38.32 39.55 2dme h ASN 64 CO -0.07 -0.36 -0.52 0.50 -1.29 0.00 0.00 177.43 175.69 2dme h LYS 65 N 0.09 0.53 0.95 6.67 1.63 -0.40 -3.05 116.57 122.98 2dme h LYS 65 Ca 0.82 -0.43 -0.05 0.00 -0.85 0.00 0.00 60.65 60.14 2dme h LYS 65 Cb 2.08 0.09 0.01 0.00 -0.60 0.00 0.00 32.23 33.82 2dme h LYS 65 CO -0.73 1.06 -0.46 -0.92 -3.45 0.00 0.00 179.45 174.96 2dme h TYR 66 N 0.13 -1.19 0.00 1.91 3.20 0.95 0.94 116.97 122.91 2dme h TYR 66 Ca -0.04 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.81 2dme h TYR 66 Cb 1.17 0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.83 2dme h TYR 66 CO 0.11 -0.74 0.31 0.07 -1.64 0.00 0.00 178.16 176.27 2dme h ARG 67 N -1.31 0.00 0.00 1.82 0.11 -0.87 -1.82 114.38 112.31 2dme h ARG 67 Ca -0.13 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.90 2dme h ARG 67 Cb 0.98 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.05 2dme h ARG 67 CO 0.21 0.00 -0.56 1.03 0.10 0.00 0.00 179.97 180.76 2dme h SER 68 N 0.00 0.00 -1.01 0.08 0.87 -1.26 -2.58 113.55 109.65 2dme h SER 68 Ca 0.00 -0.16 0.28 0.00 -1.23 0.00 0.00 61.79 60.68 2dme h SER 68 Cb 0.61 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.51 2dme h SER 68 CO 0.00 0.88 0.70 -0.07 -0.53 0.00 0.00 176.83 177.82 2dme h LEU 69 N -1.00 0.16 0.00 2.23 3.38 -0.05 0.56 115.31 120.59 2dme h LEU 69 Ca -0.07 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 2dme h LEU 69 Cb 0.62 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2dme h LEU 69 CO -0.04 0.04 -1.17 0.00 0.09 0.00 0.00 178.44 177.36 2dme h MET 70 N 0.15 0.00 -0.85 1.13 -0.00 -1.53 -3.35 114.93 110.47 2dme h MET 70 Ca 0.51 0.00 0.08 0.00 -0.00 0.00 0.00 59.70 60.29 2dme h MET 70 Cb 1.75 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 33.29 2dme h MET 70 CO -0.10 0.17 0.56 0.35 -0.00 0.00 0.00 176.91 177.89 2dme h PHE 71 N 0.00 0.94 -0.31 -0.10 3.04 0.56 -1.38 116.94 119.69 2dme h PHE 71 Ca -0.09 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.76 2dme h PHE 71 Cb 1.32 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 39.52 2dme h PHE 71 CO 0.00 0.47 -0.36 -0.91 -2.02 0.00 0.00 178.31 175.50 2dme h ASN 72 N 0.90 0.73 0.29 0.41 2.35 -1.65 -0.81 115.58 117.81 2dme h ASN 72 Ca 0.38 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2dme h ASN 72 Cb 0.29 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 2dme h ASN 72 CO -0.14 1.02 -0.45 -0.07 -1.65 0.00 0.00 177.43 176.13 2dme h LEU 73 N 0.58 -1.28 -0.86 1.61 3.38 -1.42 -2.53 115.31 114.79 2dme h LEU 73 Ca 0.06 0.12 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 2dme h LEU 73 Cb 0.88 0.45 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 2dme h LEU 73 CO 0.08 -0.56 -0.42 0.07 0.09 0.00 0.00 178.44 177.69 2dme h LYS 74 N -0.80 0.30 -5.49 1.13 2.10 -1.55 -3.44 116.57 108.82 2dme h LYS 74 Ca -0.02 -0.15 -0.67 0.00 -2.00 0.00 0.00 60.65 57.81 2dme h LYS 74 Cb 0.76 0.00 0.07 0.00 -0.90 0.00 0.00 32.23 32.16 2dme h LYS 74 CO -0.15 0.68 -0.19 -3.47 -2.00 0.00 0.00 179.45 174.32 2dme n ASP 75 N -4.01 -0.52 0.20 7.07 2.03 -0.31 -4.83 116.55 116.18 2dme n ASP 75 Ca -0.02 1.05 0.07 0.00 0.52 0.00 0.00 54.79 56.41 2dme n ASP 75 Cb 0.50 -0.85 0.42 0.00 -0.72 0.00 0.00 41.12 40.47 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 1.92 0.00 0.15 -0.67 0.13 -1.88 -3.07 132.00 128.58 2dme h PRO 76 Ca -0.37 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.46 2dme h PRO 76 Cb 1.31 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.45 2dme h PRO 76 CO 0.56 0.32 -1.36 0.87 -0.23 0.00 0.00 178.00 178.16 2dme h LYS 77 N 0.00 0.33 -4.17 0.86 1.57 -1.90 -3.41 116.57 109.84 2dme h LYS 77 Ca -0.00 -0.56 -0.75 0.00 -1.87 0.00 0.00 60.65 57.47 2dme h LYS 77 Cb 0.73 0.21 -0.23 0.00 0.08 0.00 0.00 32.23 33.01 2dme h LYS 77 CO 0.04 1.25 -0.12 1.21 -0.57 0.00 0.00 179.45 181.26 2dme s ASN 78 N -7.21 6.26 -0.29 0.86 3.84 -1.16 -4.89 114.94 112.35 2dme s ASN 78 Ca -0.06 -1.84 0.08 0.00 0.21 0.00 0.00 52.86 51.26 2dme s ASN 78 Cb 0.06 -2.23 0.46 0.00 -0.55 0.00 0.00 41.25 39.00 2dme s ASN 78 CO 0.89 -0.87 1.18 0.59 -2.79 0.00 0.00 177.10 176.10 2dme n ASN 79 N 5.30 4.64 0.00 -4.21 4.13 -1.26 -4.43 115.26 119.43 2dme n ASN 79 Ca -0.10 -3.60 0.00 0.00 1.68 0.00 0.00 54.58 52.56 2dme n ASN 79 Cb 0.41 -0.35 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 2dme n ASN 79 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2dme n ILE 80 N -0.70 0.01 -0.23 2.41 5.41 -1.26 -4.83 119.36 120.18 2dme n ILE 80 Ca 0.41 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 64.10 2dme n ILE 80 Cb 0.95 -1.02 -0.05 0.00 -0.71 0.00 0.00 39.64 38.81 2dme n ILE 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2dme n LEU 81 N -2.77 -0.57 -0.35 1.39 7.94 -1.26 0.16 117.00 121.53 2dme n LEU 81 Ca 0.00 1.24 0.34 0.00 -1.11 0.00 0.00 56.01 56.48 2dme n LEU 81 Cb 0.25 -0.27 0.60 0.00 0.53 0.00 0.00 43.42 44.54 2dme n LEU 81 CO 0.00 -0.92 1.09 2.22 -1.11 0.00 0.00 177.39 178.66 2dme n PHE 82 N -4.27 1.06 0.04 1.96 1.16 -1.26 0.63 117.46 116.78 2dme n PHE 82 Ca 0.01 1.07 -0.19 0.00 -1.87 0.00 0.00 57.45 56.47 2dme n PHE 82 Cb 0.14 -1.48 -0.14 0.00 -1.61 0.00 0.00 39.48 36.39 2dme n PHE 82 CO 0.00 0.00 0.00 -0.22 -1.87 0.00 0.00 176.76 174.67 2dme h LYS 83 N 0.00 0.31 -0.79 3.97 3.64 0.12 -2.93 116.57 120.90 2dme h LYS 83 Ca 0.85 -0.48 0.15 0.00 -1.27 0.00 0.00 60.65 59.90 2dme h LYS 83 Cb 2.36 0.17 -0.10 0.00 -0.41 0.00 0.00 32.23 34.25 2dme h LYS 83 CO -0.70 1.21 0.34 0.87 -2.27 0.00 0.00 179.45 178.90 2dme h LYS 84 N -0.34 0.47 0.48 1.90 1.57 0.37 0.20 116.57 121.22 2dme h LYS 84 Ca -0.12 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 2dme h LYS 84 Cb 1.55 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.76 2dme h LYS 84 CO 0.14 0.31 -0.23 0.28 -0.57 0.00 0.00 179.45 179.38 2dme h VAL 85 N 0.48 0.27 -0.36 0.50 2.07 -1.12 0.48 116.25 118.57 2dme h VAL 85 Ca 0.44 -0.52 0.08 0.00 0.82 0.00 0.00 66.70 67.52 2dme h VAL 85 Cb 0.67 0.41 -0.09 0.00 -1.52 0.00 0.00 31.29 30.76 2dme h VAL 85 CO -0.40 0.05 -0.26 -0.07 0.02 0.00 0.00 177.57 176.91 2dme h LEU 86 N -1.05 -0.85 -0.78 2.57 4.07 -1.27 -1.01 115.31 116.98 2dme h LEU 86 Ca -0.07 0.17 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 2dme h LEU 86 Cb 0.58 0.42 -0.04 0.00 1.08 0.00 0.00 40.66 42.70 2dme h LEU 86 CO 0.11 -0.28 0.42 0.11 -1.08 0.00 0.00 178.44 177.72 2dme h LYS 87 N -0.20 1.10 0.00 1.13 1.79 -0.69 -3.47 116.57 116.21 2dme h LYS 87 Ca 0.18 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2dme h LYS 87 Cb 0.48 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 2dme h LYS 87 CO -0.48 0.82 0.00 0.41 -1.08 0.00 0.00 179.45 179.11 2dme n GLY 88 N -1.08 1.21 0.29 3.86 0.00 -0.02 -5.00 105.19 104.45 2dme n GLY 88 Ca 0.07 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.08 -4.09 1.61 -0.58 0.15 -3.95 120.64 113.70 2dme n GLU 89 Ca 0.00 1.26 -0.35 0.00 -0.42 0.00 0.00 57.16 57.66 2dme n GLU 89 Cb 0.00 -1.89 -0.12 0.00 -0.57 0.00 0.00 31.44 28.87 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 -6.01 4.26 0.37 2.62 1.01 -0.07 -4.95 120.40 117.63 2dme s VAL 90 Ca -0.12 -0.21 -0.24 0.00 0.00 0.00 0.00 61.98 61.41 2dme s VAL 90 Cb 0.22 -2.92 -0.10 0.00 0.00 0.00 0.00 36.38 33.57 2dme s VAL 90 CO 0.63 0.44 0.94 0.42 0.00 0.00 0.00 175.10 177.53 2dme s THR 91 N 0.75 4.30 -0.55 3.92 -4.23 -1.25 -4.05 115.64 114.52 2dme s THR 91 Ca 0.01 1.65 0.22 0.00 -1.18 0.00 0.00 61.69 62.40 2dme s THR 91 Cb -0.14 -3.81 0.23 0.00 1.34 0.00 0.00 72.50 70.11 2dme s THR 91 CO 0.02 -0.08 1.67 -0.81 -0.54 0.00 0.00 174.62 174.89 2dme n PRO 92 N -0.01 0.16 -0.00 3.99 -0.04 -1.26 -1.33 135.00 136.51 2dme n PRO 92 Ca 0.04 0.40 0.01 0.00 -0.04 0.00 0.00 63.50 63.92 2dme n PRO 92 Cb 0.52 -1.82 -0.12 0.00 -0.04 0.00 0.00 33.50 32.05 2dme n PRO 92 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2dme n ASP 93 N -2.13 0.43 0.02 3.54 5.68 -1.26 -4.31 116.55 118.53 2dme n ASP 93 Ca 0.02 0.19 -0.19 0.00 -0.50 0.00 0.00 54.79 54.31 2dme n ASP 93 Cb 0.22 0.86 -0.14 0.00 -1.14 0.00 0.00 41.12 40.91 2dme n ASP 93 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2dme h HIS 94 N 0.00 0.44 -1.49 2.11 2.76 -1.87 -3.35 115.15 113.75 2dme h HIS 94 Ca -0.20 -0.32 0.43 0.00 -2.20 0.00 0.00 60.37 58.08 2dme h HIS 94 Cb 1.54 -0.02 -0.06 0.00 1.55 0.00 0.00 27.41 30.43 2dme h HIS 94 CO 0.00 1.57 1.27 1.25 -1.30 0.00 0.00 177.93 180.72 2dme h LEU 95 N 0.07 0.00 0.08 0.26 5.85 -1.40 1.38 115.31 121.55 2dme h LEU 95 Ca -0.36 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.14 2dme h LEU 95 Cb 2.04 0.00 0.02 0.00 0.37 0.00 0.00 40.66 43.09 2dme h LEU 95 CO 0.12 0.00 -0.93 0.40 -0.34 0.00 0.00 178.44 177.69 2dme h ILE 96 N 0.00 1.38 0.00 4.05 2.04 -1.80 -3.24 117.51 119.94 2dme h ILE 96 Ca 0.71 -2.35 -0.04 0.00 1.00 0.00 0.00 64.86 64.18 2dme h ILE 96 Cb 3.25 2.78 -0.01 0.00 -0.74 0.00 0.00 36.82 42.10 2dme h ILE 96 CO -0.01 0.69 -0.21 0.03 0.00 0.00 0.00 178.15 178.66 2dme h ARG 97 N -0.00 0.00 -6.86 2.37 3.08 0.16 -3.44 114.38 109.69 2dme h ARG 97 Ca -0.14 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.37 2dme h ARG 97 Cb 1.65 0.00 0.10 0.00 0.08 0.00 0.00 29.97 31.80 2dme h ARG 97 CO 0.18 0.21 0.76 -1.33 -1.07 0.00 0.00 179.97 178.72 2dme n MET 98 N -3.46 2.59 -1.95 0.04 2.81 -0.18 -4.95 117.12 112.02 2dme n MET 98 Ca -0.00 0.91 -0.35 0.00 -1.81 0.00 0.00 57.70 56.44 2dme n MET 98 Cb 0.39 -2.63 0.04 0.00 -0.71 0.00 0.00 33.22 30.30 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 0.04 5.12 0.12 7.83 0.01 -1.26 -4.90 113.70 120.67 2dme s SER 99 Ca 0.57 2.34 0.19 0.00 1.31 0.00 0.00 55.95 60.36 2dme s SER 99 Cb -0.50 -2.59 0.79 0.00 0.21 0.00 0.00 66.02 63.92 2dme s SER 99 CO 0.59 -1.64 1.58 -0.81 0.41 0.00 0.00 173.24 173.37 2dme n PRO 100 N -1.74 0.09 -0.09 12.44 -0.04 -1.26 -2.22 135.00 142.18 2dme n PRO 100 Ca 0.13 0.34 -0.09 0.00 -0.04 0.00 0.00 63.50 63.84 2dme n PRO 100 Cb 0.50 -1.68 -0.15 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.85 0.98 -0.03 0.54 2.13 -1.26 -4.48 120.64 116.67 2dme n GLU 101 Ca 0.03 -0.01 -0.17 0.00 0.66 0.00 0.00 57.16 57.67 2dme n GLU 101 Cb 0.20 -1.47 -0.07 0.00 0.27 0.00 0.00 31.44 30.36 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 0.79 -1.05 5.31 4.39 -1.89 -3.12 114.58 119.01 2dme h GLU 102 Ca -0.50 -0.62 0.30 0.00 0.34 0.00 0.00 59.36 58.88 2dme h GLU 102 Cb 2.14 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 30.87 2dme h GLU 102 CO 0.03 1.23 1.01 -0.07 -1.16 0.00 0.00 179.01 180.05 2dme h LEU 103 N 0.53 0.00 0.04 1.33 3.38 -1.67 1.43 115.31 120.35 2dme h LEU 103 Ca -0.04 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.64 2dme h LEU 103 Cb 1.35 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 2dme h LEU 103 CO 0.15 0.00 -1.55 0.00 0.09 0.00 0.00 178.44 177.13 2dme h ALA 104 N 0.97 0.55 -1.61 1.53 0.00 -1.80 -3.46 119.26 115.43 2dme h ALA 104 Ca 0.50 -1.27 -0.63 0.00 0.00 0.00 0.00 54.91 53.51 2dme h ALA 104 Cb 2.52 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 20.63 2dme h ALA 104 CO -0.01 1.39 1.39 0.45 0.00 0.00 0.00 179.25 182.48 2dme n SER 105 N -3.24 2.82 -3.61 0.00 2.88 0.49 -4.83 113.62 108.13 2dme n SER 105 Ca -0.15 0.43 -0.41 0.00 -1.33 0.00 0.00 58.87 57.42 2dme n SER 105 Cb 1.03 -1.40 -0.02 0.00 -0.75 0.00 0.00 64.21 63.07 2dme n SER 105 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2dme n LYS 106 N 8.14 2.66 -4.32 -1.46 5.02 -1.26 -4.90 118.16 122.04 2dme n LYS 106 Ca 0.33 -2.31 -0.34 0.00 -2.02 0.00 0.00 58.31 53.97 2dme n LYS 106 Cb 0.33 -3.08 -0.11 0.00 -0.02 0.00 0.00 35.03 32.14 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 3.42 3.69 -0.08 1.97 0.41 -1.26 -5.00 118.70 121.85 2dme s GLU 107 Ca 0.52 -0.48 -0.09 0.00 -0.41 0.00 0.00 54.97 54.52 2dme s GLU 107 Cb 0.14 -2.96 -0.04 0.00 -1.78 0.00 0.00 34.13 29.49 2dme s GLU 107 CO -0.04 0.28 -0.18 1.28 -0.49 0.00 0.00 175.26 176.11 2dme n LEU 108 N 3.44 1.37 -0.24 1.80 7.99 -1.26 -4.63 117.00 125.46 2dme n LEU 108 Ca -0.17 0.22 0.21 0.00 -0.01 0.00 0.00 56.01 56.26 2dme n LEU 108 Cb 0.52 -0.51 0.39 0.00 -0.11 0.00 0.00 43.42 43.72 2dme n LEU 108 CO 0.33 -0.24 0.75 0.00 -1.51 0.00 0.00 177.39 176.71 2dme n ALA 109 N -3.88 0.69 -0.35 -1.18 0.00 -1.26 -0.43 120.51 114.10 2dme n ALA 109 Ca -0.14 0.76 -0.08 0.00 0.00 0.00 0.00 53.44 53.98 2dme n ALA 109 Cb 0.41 -0.72 -0.06 0.00 0.00 0.00 0.00 19.45 19.08 2dme n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dme n ALA 110 N -2.62 -0.47 -1.42 0.00 0.00 -1.26 -4.48 120.51 110.26 2dme n ALA 110 Ca 0.26 0.73 -0.40 0.00 0.00 0.00 0.00 53.44 54.03 2dme n ALA 110 Cb 0.88 -0.16 0.02 0.00 0.00 0.00 0.00 19.45 20.19 2dme n ALA 110 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2dme n TRP 111 N -5.07 -1.02 -0.01 0.00 5.03 0.43 -4.94 117.44 111.86 2dme n TRP 111 Ca 0.03 0.50 -0.01 0.00 3.03 0.00 0.00 57.50 61.05 2dme n TRP 111 Cb 0.24 -1.92 -0.00 0.00 -1.03 0.00 0.00 31.31 28.59 2dme n TRP 111 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 2dme n ARG 112 N 0.46 0.03 -1.48 -0.99 0.00 -1.26 -5.00 116.66 108.42 2dme n ARG 112 Ca 0.11 0.01 -0.52 0.00 -0.00 0.00 0.00 57.85 57.45 2dme n ARG 112 Cb 0.45 -0.57 -0.07 0.00 0.00 0.00 0.00 32.46 32.26 2dme n ARG 112 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2dme n ARG 113 N -3.03 1.09 -2.66 -0.14 0.00 -1.26 -4.85 116.66 105.82 2dme n ARG 113 Ca -0.03 0.32 -0.42 0.00 -0.00 0.00 0.00 57.85 57.73 2dme n ARG 113 Cb 0.52 -2.38 -0.02 0.00 0.00 0.00 0.00 32.46 30.58 2dme n ARG 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2dme s ARG 114 N 5.75 3.66 0.22 -0.14 6.06 -1.26 -4.87 118.95 128.37 2dme s ARG 114 Ca 1.08 -1.42 -0.06 0.00 -2.50 0.00 0.00 55.73 52.82 2dme s ARG 114 Cb -0.91 -5.26 0.36 0.00 0.06 0.00 0.00 34.95 29.20 2dme s ARG 114 CO 0.52 -2.10 1.24 0.43 -2.50 0.00 0.00 175.30 172.89 2dme n SER 115 N 8.16 -0.29 -0.54 -2.12 7.64 -1.26 -4.90 113.62 120.32 2dme n SER 115 Ca 0.33 1.36 0.07 0.00 1.01 0.00 0.00 58.87 61.64 2dme n SER 115 Cb 0.50 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 63.25 2dme n SER 115 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dme n GLY 116 N -1.50 -2.83 3.56 0.23 0.00 -1.26 -4.62 105.19 98.77 2dme n GLY 116 Ca 0.13 -1.30 -0.28 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.37 2.57 0.13 1.61 0.04 -1.26 -4.96 135.00 129.76 2dme s PRO 117 Ca 0.00 -0.23 -0.16 0.00 0.04 0.00 0.00 61.00 60.65 2dme s PRO 117 Cb 0.00 -5.02 -0.07 0.00 0.04 0.00 0.00 34.50 29.45 2dme s PRO 117 CO 0.00 -3.32 0.56 0.45 0.04 0.00 0.00 177.00 174.73 2dme s SER 118 N 8.01 6.89 0.08 6.66 0.15 -1.26 -5.01 113.70 129.22 2dme s SER 118 Ca 0.70 1.13 -0.29 0.00 0.70 0.00 0.00 55.95 58.19 2dme s SER 118 Cb -0.07 -2.31 -0.13 0.00 -1.71 0.00 0.00 66.02 61.80 2dme s SER 118 CO 0.01 0.14 1.46 -1.28 1.20 0.00 0.00 173.24 174.77 2dme h SER 119 N 3.78 -1.29 0.00 5.45 0.87 -2.00 -3.56 113.55 116.81 2dme h SER 119 Ca -0.49 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 2dme h SER 119 Cb 1.20 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 63.62 2dme h SER 119 CO 0.65 -0.48 0.00 0.61 -0.53 0.00 0.00 176.83 177.08