#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dpd n THR 9 N 0.00 0.00 -2.26 6.66 -2.24 -1.26 -3.38 114.28 111.81 2dpd n THR 9 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 2dpd n THR 9 Cb 0.00 -0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 67.66 2dpd n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dpd n GLY 10 N -0.12 -0.15 0.00 3.38 0.00 -1.26 -5.00 105.19 102.04 2dpd n GLY 10 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2dpd n GLY 10 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2dpd n PHE 11 N -3.85 0.00 -3.06 1.61 7.35 -1.22 -5.04 117.46 113.25 2dpd n PHE 11 Ca -0.21 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.20 2dpd n PHE 11 Cb 0.66 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.47 2dpd n PHE 11 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2dpd s LEU 12 N 0.00 3.89 0.23 -2.13 1.43 -1.26 -4.88 118.68 115.96 2dpd s LEU 12 Ca 0.00 0.80 -0.32 0.00 -1.03 0.00 0.00 54.13 53.59 2dpd s LEU 12 Cb 0.00 -3.68 -0.13 0.00 0.03 0.00 0.00 46.19 42.41 2dpd s LEU 12 CO 0.00 -0.36 1.53 0.55 0.23 0.00 0.00 176.35 178.30 2dpd n VAL 13 N -1.54 0.68 -1.11 -1.59 3.14 -1.26 -4.95 118.33 111.70 2dpd n VAL 13 Ca -0.01 -0.17 -0.30 0.00 -2.96 0.00 0.00 64.34 60.90 2dpd n VAL 13 Cb 0.55 -1.67 0.13 0.00 -1.06 0.00 0.00 33.84 31.79 2dpd n VAL 13 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2dpd s LYS 14 N -0.00 1.41 0.05 1.45 -0.14 -1.26 -4.90 119.74 116.35 2dpd s LYS 14 Ca 0.70 1.03 -0.20 0.00 -1.36 0.00 0.00 55.97 56.14 2dpd s LYS 14 Cb -0.60 -1.81 -0.12 0.00 -1.68 0.00 0.00 37.83 33.62 2dpd s LYS 14 CO 0.45 -2.19 1.41 0.37 -0.76 0.00 0.00 175.35 174.63 2dpd h GLN 15 N -1.53 0.37 -0.54 1.68 4.15 -1.99 -2.76 115.11 114.48 2dpd h GLN 15 Ca -0.47 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 58.78 2dpd h GLN 15 Cb 1.27 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.92 2dpd h GLN 15 CO 0.52 0.67 0.31 0.07 -1.93 0.00 0.00 178.83 178.46 2dpd h ARG 16 N 0.05 0.74 -0.49 1.69 -0.00 -1.94 0.66 114.38 115.09 2dpd h ARG 16 Ca 0.04 -0.07 -0.05 0.00 -0.00 0.00 0.00 59.98 59.91 2dpd h ARG 16 Cb 0.56 -0.15 -0.02 0.00 -0.00 0.00 0.00 29.97 30.35 2dpd h ARG 16 CO 0.03 0.54 0.13 0.00 -0.00 0.00 0.00 179.97 180.66 2dpd h ALA 17 N 1.59 0.65 -0.73 0.08 0.00 -1.93 0.50 119.26 119.41 2dpd h ALA 17 Ca 0.19 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2dpd h ALA 17 Cb 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 2dpd h ALA 17 CO -0.03 0.33 0.45 0.35 0.00 0.00 0.00 179.25 180.34 2dpd h PHE 18 N 0.67 0.83 0.40 0.00 3.04 -0.84 -0.54 116.94 120.49 2dpd h PHE 18 Ca 0.15 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.11 2dpd h PHE 18 Cb 0.32 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.56 2dpd h PHE 18 CO 0.02 0.45 -0.19 -0.07 -2.02 0.00 0.00 178.31 176.50 2dpd h LEU 19 N 0.85 -0.45 -0.89 0.59 3.38 -0.40 -3.00 115.31 115.39 2dpd h LEU 19 Ca 0.31 -0.12 0.18 0.00 0.09 0.00 0.00 57.88 58.33 2dpd h LEU 19 Cb 0.09 0.12 -0.17 0.00 0.09 0.00 0.00 40.66 40.78 2dpd h LEU 19 CO -0.14 -0.04 -0.21 0.11 0.09 0.00 0.00 178.44 178.25 2dpd h LYS 20 N -0.95 0.00 -0.38 1.13 1.57 0.19 1.05 116.57 119.18 2dpd h LYS 20 Ca -0.05 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.79 2dpd h LYS 20 Cb 0.55 -0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.77 2dpd h LYS 20 CO 0.09 0.00 -0.44 1.25 -0.57 0.00 0.00 179.45 179.79 2dpd h LEU 21 N 0.00 -1.44 -0.64 2.94 5.85 -1.16 -1.26 115.31 119.60 2dpd h LEU 21 Ca 0.43 0.21 0.08 0.00 0.84 0.00 0.00 57.88 59.45 2dpd h LEU 21 Cb 0.66 0.62 -0.07 0.00 0.37 0.00 0.00 40.66 42.25 2dpd h LEU 21 CO -0.91 -0.38 0.29 1.88 -0.34 0.00 0.00 178.44 178.99 2dpd h TYR 22 N -0.35 0.53 -0.25 1.25 -1.99 0.12 -1.44 116.97 114.84 2dpd h TYR 22 Ca 0.13 0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.94 2dpd h TYR 22 Cb 0.59 -0.14 -0.05 0.00 2.00 0.00 0.00 36.73 39.13 2dpd h TYR 22 CO -0.62 0.19 -0.09 0.52 -0.00 0.00 0.00 178.16 178.17 2dpd h MET 23 N 0.52 -0.04 -0.27 4.88 2.86 -0.60 -0.13 114.93 122.16 2dpd h MET 23 Ca 0.31 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 58.00 2dpd h MET 23 Cb 0.32 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.95 2dpd h MET 23 CO -0.26 -0.03 -0.01 0.82 1.06 0.00 0.00 176.91 178.49 2dpd h ILE 24 N -0.04 0.79 -0.58 -1.22 2.04 -0.59 0.24 117.51 118.15 2dpd h ILE 24 Ca 0.13 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.88 2dpd h ILE 24 Cb 0.23 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2dpd h ILE 24 CO -0.28 0.01 0.04 0.74 0.00 0.00 0.00 178.15 178.66 2dpd h THR 25 N 0.06 1.26 -0.07 -0.27 2.02 -1.02 -2.48 112.91 112.42 2dpd h THR 25 Ca 0.13 -1.08 -0.11 0.00 0.77 0.00 0.00 66.41 66.12 2dpd h THR 25 Cb 0.17 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2dpd h THR 25 CO -0.23 0.39 -0.45 0.24 0.37 0.00 0.00 175.52 175.84 2dpd h MET 26 N 0.89 0.16 -0.83 6.66 2.86 -0.30 -2.02 114.93 122.35 2dpd h MET 26 Ca 0.17 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 2dpd h MET 26 Cb 0.50 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 2dpd h MET 26 CO 0.02 0.58 0.45 1.15 1.06 0.00 0.00 176.91 180.18 2dpd h THR 27 N 0.13 1.24 -0.92 2.22 2.02 -0.45 0.18 112.91 117.33 2dpd h THR 27 Ca 0.01 -0.60 0.23 0.00 0.77 0.00 0.00 66.41 66.81 2dpd h THR 27 Cb 0.86 0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 67.33 2dpd h THR 27 CO 0.07 0.27 0.63 -0.33 0.37 0.00 0.00 175.52 176.52 2dpd h GLU 28 N 1.15 0.26 0.00 6.66 5.08 -0.89 -3.28 114.58 123.57 2dpd h GLU 28 Ca 0.29 -0.02 -0.26 0.00 -1.00 0.00 0.00 59.36 58.37 2dpd h GLU 28 Cb 0.03 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 2dpd h GLU 28 CO -0.05 0.17 -2.00 1.04 -1.00 0.00 0.00 179.01 177.18 2dpd n GLN 29 N -4.45 1.24 -4.08 2.33 6.02 -0.74 -5.08 117.38 112.62 2dpd n GLN 29 Ca 0.20 0.03 -0.19 0.00 -0.01 0.00 0.00 57.00 57.03 2dpd n GLN 29 Cb 0.81 -1.36 -0.07 0.00 1.02 0.00 0.00 30.24 30.64 2dpd n GLN 29 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2dpd n GLU 30 N -2.71 0.43 -4.12 -1.09 4.07 -0.03 -5.13 120.64 112.06 2dpd n GLU 30 Ca -0.26 -3.08 -0.34 0.00 -0.06 0.00 0.00 57.16 53.41 2dpd n GLU 30 Cb 0.92 2.32 -0.11 0.00 -0.06 0.00 0.00 31.44 34.51 2dpd n GLU 30 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2dpd s ARG 31 N -3.29 3.82 0.18 5.31 3.52 -1.26 -4.39 118.95 122.84 2dpd s ARG 31 Ca 0.32 -0.43 0.07 0.00 -0.13 0.00 0.00 55.73 55.57 2dpd s ARG 31 Cb 0.02 -3.12 -0.04 0.00 -1.56 0.00 0.00 34.95 30.25 2dpd s ARG 31 CO 0.23 0.20 -0.15 -0.51 -0.81 0.00 0.00 175.30 174.26 2dpd s LEU 32 N 0.53 2.52 0.33 -0.88 1.43 -1.26 -4.97 118.68 116.38 2dpd s LEU 32 Ca 0.01 -0.97 0.04 0.00 -1.03 0.00 0.00 54.13 52.17 2dpd s LEU 32 Cb -0.13 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 2dpd s LEU 32 CO 0.02 -0.16 0.14 -0.72 0.23 0.00 0.00 176.35 175.87 2dpd s TYR 33 N -2.75 1.69 0.01 0.29 -0.85 -1.26 -1.72 117.35 112.76 2dpd s TYR 33 Ca 0.19 -1.31 -0.03 0.00 -0.52 0.00 0.00 57.07 55.41 2dpd s TYR 33 Cb -0.02 -0.98 -0.01 0.00 0.38 0.00 0.00 41.96 41.34 2dpd s TYR 33 CO 0.06 -0.42 1.04 0.78 -1.52 0.00 0.00 175.55 175.49 2dpd h GLY 34 N 2.09 -1.82 1.83 5.49 0.00 -1.97 -1.83 103.07 106.85 2dpd h GLY 34 Ca -0.34 0.80 0.01 0.00 0.00 0.00 0.00 47.33 47.80 2dpd h GLY 34 CO 0.55 -0.68 0.09 1.41 0.00 0.00 0.00 176.54 177.91 2dpd h LEU 35 N -0.03 0.13 0.40 3.11 -0.00 -1.96 -0.74 115.31 116.22 2dpd h LEU 35 Ca 0.01 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2dpd h LEU 35 Cb 0.05 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 2dpd h LEU 35 CO -0.04 0.09 -0.19 0.50 -0.00 0.00 0.00 178.44 178.80 2dpd h LYS 36 N 0.15 -0.52 -0.72 1.13 1.63 -1.95 -2.46 116.57 113.84 2dpd h LYS 36 Ca 0.05 0.04 0.16 0.00 -0.85 0.00 0.00 60.65 60.05 2dpd h LYS 36 Cb 0.04 0.12 -0.12 0.00 -0.60 0.00 0.00 32.23 31.66 2dpd h LYS 36 CO -0.01 -0.34 0.02 1.25 -3.45 0.00 0.00 179.45 176.91 2dpd h LEU 37 N -0.57 -0.30 -0.28 5.20 5.85 -0.86 0.56 115.31 124.91 2dpd h LEU 37 Ca -0.05 0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.91 2dpd h LEU 37 Cb 0.41 0.32 -0.06 0.00 0.37 0.00 0.00 40.66 41.69 2dpd h LEU 37 CO 0.09 -0.15 -0.14 0.25 -0.34 0.00 0.00 178.44 178.15 2dpd h LEU 38 N 0.12 -0.47 -0.80 2.25 5.85 -1.21 0.11 115.31 121.16 2dpd h LEU 38 Ca 0.39 0.11 -0.11 0.00 0.84 0.00 0.00 57.88 59.11 2dpd h LEU 38 Cb 0.68 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 2dpd h LEU 38 CO -0.62 -0.18 -0.27 -0.33 -0.34 0.00 0.00 178.44 176.70 2dpd h GLU 39 N -0.10 0.59 -0.52 1.25 4.39 -0.46 0.38 114.58 120.10 2dpd h GLU 39 Ca 0.15 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 2dpd h GLU 39 Cb 0.32 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 2dpd h GLU 39 CO -0.34 0.81 0.25 0.28 -1.16 0.00 0.00 179.01 178.85 2dpd h VAL 40 N 0.51 1.19 -0.31 3.13 2.07 -0.71 -1.44 116.25 120.71 2dpd h VAL 40 Ca 0.07 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 2dpd h VAL 40 Cb 0.74 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2dpd h VAL 40 CO 0.06 0.22 -0.11 -0.07 0.02 0.00 0.00 177.57 177.68 2dpd h LEU 41 N 0.69 0.63 -0.23 2.57 3.38 -0.31 -0.04 115.31 122.00 2dpd h LEU 41 Ca 0.18 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.81 2dpd h LEU 41 Cb 0.11 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2dpd h LEU 41 CO -0.02 0.88 -0.06 0.03 0.09 0.00 0.00 178.44 179.35 2dpd h ARG 42 N 0.38 -0.01 0.68 1.13 3.08 -0.07 -0.70 114.38 118.87 2dpd h ARG 42 Ca 0.07 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 2dpd h ARG 42 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2dpd h ARG 42 CO 0.04 -0.00 -0.38 1.03 -1.07 0.00 0.00 179.97 179.59 2dpd h SER 43 N -0.01 -0.92 -1.22 7.04 0.87 -1.29 -1.71 113.55 116.30 2dpd h SER 43 Ca 0.11 0.04 0.42 0.00 -1.23 0.00 0.00 61.79 61.13 2dpd h SER 43 Cb 0.17 0.26 -0.14 0.00 -0.44 0.00 0.00 62.40 62.25 2dpd h SER 43 CO -0.24 -0.60 0.76 -0.08 -0.53 0.00 0.00 176.83 176.14 2dpd h GLU 44 N -0.97 0.10 0.00 2.24 4.81 -0.57 -0.87 114.58 119.32 2dpd h GLU 44 Ca -0.09 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 58.97 2dpd h GLU 44 Cb 0.76 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 2dpd h GLU 44 CO 0.12 0.07 -2.01 1.19 -0.73 0.00 0.00 179.01 177.65 2dpd n PHE 45 N -4.84 0.20 -0.13 0.92 3.72 -0.31 -4.73 117.46 112.29 2dpd n PHE 45 Ca 0.37 0.06 0.04 0.00 -0.05 0.00 0.00 57.45 57.87 2dpd n PHE 45 Cb 1.35 -0.80 0.09 0.00 -0.94 0.00 0.00 39.48 39.18 2dpd n PHE 45 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2dpd n LYS 46 N -2.56 -0.03 0.00 -1.08 4.81 -0.33 -0.57 118.16 118.40 2dpd n LYS 46 Ca -0.15 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 2dpd n LYS 46 Cb 0.83 -0.88 0.00 0.00 0.02 0.00 0.00 35.03 35.00 2dpd n LYS 46 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2dpd n GLU 47 N -4.45 0.00 -0.31 1.64 2.13 -1.26 -2.68 120.64 115.71 2dpd n GLU 47 Ca 0.08 0.43 0.21 0.00 0.66 0.00 0.00 57.16 58.53 2dpd n GLU 47 Cb 0.25 -1.38 0.39 0.00 0.27 0.00 0.00 31.44 30.97 2dpd n GLU 47 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2dpd n ILE 48 N -1.73 -0.39 0.00 6.31 -0.00 0.26 -4.79 119.36 119.02 2dpd n ILE 48 Ca 0.00 1.98 0.00 0.00 -0.00 0.00 0.00 62.75 64.73 2dpd n ILE 48 Cb 0.00 -3.03 0.00 0.00 -0.00 0.00 0.00 39.64 36.61 2dpd n ILE 48 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2dpd n GLY 49 N -1.37 1.55 3.63 7.39 0.00 -0.64 -5.10 105.19 110.65 2dpd n GLY 49 Ca 0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 2dpd n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2dpd s PHE 50 N -2.00 3.30 -0.49 1.61 5.36 -1.26 -4.98 117.98 119.52 2dpd s PHE 50 Ca 0.00 0.63 0.03 0.00 -0.96 0.00 0.00 56.93 56.63 2dpd s PHE 50 Cb 0.00 -2.65 0.16 0.00 -0.34 0.00 0.00 43.02 40.18 2dpd s PHE 50 CO 0.00 -0.19 0.34 -1.59 -1.46 0.00 0.00 175.22 172.32 2dpd s LYS 51 N 1.95 1.42 0.62 10.12 -2.85 -1.26 -4.24 119.74 125.50 2dpd s LYS 51 Ca 0.20 -2.35 -0.18 0.00 -1.00 0.00 0.00 55.97 52.65 2dpd s LYS 51 Cb -0.15 -2.24 -0.02 0.00 -2.06 0.00 0.00 37.83 33.35 2dpd s LYS 51 CO 0.09 -1.27 1.18 -1.25 0.10 0.00 0.00 175.35 174.19 2dpd s PRO 52 N -0.17 2.88 0.54 1.78 0.04 -1.26 -5.05 135.00 133.76 2dpd s PRO 52 Ca 0.25 1.70 0.03 0.00 0.04 0.00 0.00 61.00 63.01 2dpd s PRO 52 Cb -0.09 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.55 2dpd s PRO 52 CO -0.11 -1.25 0.76 0.54 0.04 0.00 0.00 177.00 176.98 2dpd s ASN 53 N -1.87 5.26 0.07 6.66 2.20 -1.26 -4.93 114.94 121.07 2dpd s ASN 53 Ca 0.74 -0.14 -0.16 0.00 -0.94 0.00 0.00 52.86 52.37 2dpd s ASN 53 Cb -0.27 -0.72 -0.15 0.00 -2.00 0.00 0.00 41.25 38.10 2dpd s ASN 53 CO 0.35 -1.15 1.29 1.12 -2.94 0.00 0.00 177.10 175.78 2dpd h HIS 54 N 0.12 0.85 -0.15 1.54 2.07 -1.99 -3.12 115.15 114.46 2dpd h HIS 54 Ca -0.41 -0.35 -0.05 0.00 -2.85 0.00 0.00 60.37 56.72 2dpd h HIS 54 Cb 1.29 -0.14 -0.01 0.00 2.57 0.00 0.00 27.41 31.12 2dpd h HIS 54 CO 0.33 1.14 -0.12 0.00 -3.07 0.00 0.00 177.93 176.21 2dpd h THR 55 N 0.32 1.17 -0.21 6.12 1.03 -1.98 -0.34 112.91 119.02 2dpd h THR 55 Ca -0.02 -0.76 -0.01 0.00 -0.01 0.00 0.00 66.41 65.61 2dpd h THR 55 Cb 1.16 1.20 -0.01 0.00 -1.07 0.00 0.00 68.15 69.42 2dpd h THR 55 CO 0.11 0.24 0.10 -0.08 -0.01 0.00 0.00 175.52 175.88 2dpd h GLU 56 N 0.23 0.31 -0.56 0.00 4.57 -1.97 -1.29 114.58 115.87 2dpd h GLU 56 Ca 0.05 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.23 2dpd h GLU 56 Cb 0.36 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.85 2dpd h GLU 56 CO 0.02 0.33 0.28 0.28 -1.18 0.00 0.00 179.01 178.74 2dpd h VAL 57 N 0.21 0.94 0.00 0.32 2.07 -1.15 -1.57 116.25 117.07 2dpd h VAL 57 Ca 0.07 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 2dpd h VAL 57 Cb 0.12 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2dpd h VAL 57 CO -0.01 0.10 -0.29 1.88 0.02 0.00 0.00 177.57 179.27 2dpd h TYR 58 N 0.54 0.00 0.61 1.57 0.99 -0.93 -1.23 116.97 118.51 2dpd h TYR 58 Ca 0.25 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.95 2dpd h TYR 58 Cb 0.17 0.00 0.01 0.00 1.00 0.00 0.00 36.73 37.91 2dpd h TYR 58 CO -0.10 0.29 -0.29 0.00 -0.00 0.00 0.00 178.16 178.05 2dpd h ARG 59 N 0.00 -0.79 -0.96 4.88 3.08 -0.60 -2.29 114.38 117.71 2dpd h ARG 59 Ca -0.00 0.05 0.24 0.00 0.07 0.00 0.00 59.98 60.34 2dpd h ARG 59 Cb 0.59 0.18 -0.18 0.00 0.08 0.00 0.00 29.97 30.64 2dpd h ARG 59 CO 0.04 -0.53 -0.04 0.77 -1.07 0.00 0.00 179.97 179.14 2dpd h SER 60 N -1.22 -0.56 -0.02 7.04 0.02 -1.21 -1.29 113.55 116.30 2dpd h SER 60 Ca -0.08 0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2dpd h SER 60 Cb 0.63 0.50 -0.00 0.00 0.14 0.00 0.00 62.40 63.66 2dpd h SER 60 CO 0.14 -0.32 0.01 -0.07 -1.14 0.00 0.00 176.83 175.45 2dpd h LEU 61 N 0.02 0.03 -1.35 5.07 4.07 -1.23 -2.66 115.31 119.25 2dpd h LEU 61 Ca 0.54 -0.05 -0.06 0.00 0.08 0.00 0.00 57.88 58.39 2dpd h LEU 61 Cb 1.04 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.77 2dpd h LEU 61 CO -0.91 0.07 -0.31 0.45 -1.08 0.00 0.00 178.44 176.66 2dpd h HIS 62 N -0.02 0.00 0.92 1.13 3.86 -0.67 -1.74 115.15 118.62 2dpd h HIS 62 Ca 0.01 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 2dpd h HIS 62 Cb 0.05 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.53 2dpd h HIS 62 CO -0.06 0.31 -0.44 0.93 0.86 0.00 0.00 177.93 179.53 2dpd h GLU 63 N 0.00 -1.19 -1.00 2.45 5.08 -1.16 -0.39 114.58 118.36 2dpd h GLU 63 Ca -0.00 0.08 0.29 0.00 -1.00 0.00 0.00 59.36 58.73 2dpd h GLU 63 Cb 0.62 0.27 -0.04 0.00 0.50 0.00 0.00 28.75 30.10 2dpd h GLU 63 CO 0.04 -0.79 0.90 -0.07 -1.00 0.00 0.00 179.01 178.09 2dpd h LEU 64 N -1.27 0.00 0.39 1.33 3.38 -1.12 0.82 115.31 118.85 2dpd h LEU 64 Ca -0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2dpd h LEU 64 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2dpd h LEU 64 CO 0.21 0.00 -0.19 -0.07 0.09 0.00 0.00 178.44 178.48 2dpd h LEU 65 N 0.00 -0.44 -1.97 1.67 3.38 -1.02 -0.61 115.31 116.32 2dpd h LEU 65 Ca 0.48 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.52 2dpd h LEU 65 Cb 2.27 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 43.13 2dpd h LEU 65 CO -0.01 -0.14 0.17 0.44 0.09 0.00 0.00 178.44 179.00 2dpd h ASP 66 N -0.88 0.04 0.57 -0.43 3.32 0.14 0.83 116.42 120.01 2dpd h ASP 66 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2dpd h ASP 66 Cb 0.40 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2dpd h ASP 66 CO 0.09 0.02 0.00 0.47 -1.72 0.00 0.00 179.24 178.10 2dpd n ASP 67 N -4.47 0.00 -0.81 6.45 8.00 0.25 -4.90 116.55 121.06 2dpd n ASP 67 Ca 0.03 0.17 -0.11 0.00 0.71 0.00 0.00 54.79 55.59 2dpd n ASP 67 Cb 0.30 -0.37 -0.04 0.00 -0.02 0.00 0.00 41.12 40.98 2dpd n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dpd n GLY 68 N 0.76 1.17 0.09 0.44 0.00 0.29 -4.90 105.19 103.03 2dpd n GLY 68 Ca 0.09 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 2dpd n GLY 68 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2dpd h ILE 69 N 0.00 1.56 -1.65 -0.61 5.03 -1.34 -3.12 117.51 117.37 2dpd h ILE 69 Ca -0.22 -1.87 -0.60 0.00 -0.12 0.00 0.00 64.86 62.05 2dpd h ILE 69 Cb 0.69 2.75 -0.11 0.00 -3.03 0.00 0.00 36.82 37.13 2dpd h ILE 69 CO 0.31 0.51 -0.56 -0.76 -0.68 0.00 0.00 178.15 176.97 2dpd s LEU 70 N -8.59 2.99 0.05 1.44 1.43 -0.48 0.68 118.68 116.21 2dpd s LEU 70 Ca -0.16 -1.21 -0.02 0.00 -1.03 0.00 0.00 54.13 51.70 2dpd s LEU 70 Cb 0.01 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 2dpd s LEU 70 CO 0.72 -0.47 0.01 -1.59 0.23 0.00 0.00 176.35 175.26 2dpd s LYS 71 N -3.80 0.62 0.08 1.70 -2.85 -0.03 -4.43 119.74 111.04 2dpd s LYS 71 Ca 0.38 -1.10 -0.03 0.00 -1.00 0.00 0.00 55.97 54.21 2dpd s LYS 71 Cb 0.06 0.23 -0.05 0.00 -2.06 0.00 0.00 37.83 36.01 2dpd s LYS 71 CO 0.20 -0.13 0.28 -0.65 0.10 0.00 0.00 175.35 175.15 2dpd s GLN 72 N -3.65 3.53 -0.01 1.78 -0.21 -1.26 -2.18 119.66 117.67 2dpd s GLN 72 Ca 0.04 -0.23 0.01 0.00 0.02 0.00 0.00 55.36 55.20 2dpd s GLN 72 Cb 0.06 -2.98 0.00 0.00 1.00 0.00 0.00 33.01 31.09 2dpd s GLN 72 CO -0.09 0.56 -0.04 0.42 -2.12 0.00 0.00 175.29 174.02 2dpd s ILE 73 N -1.52 0.38 -0.33 1.08 -1.09 -0.90 -4.98 121.20 113.84 2dpd s ILE 73 Ca 0.36 -0.17 0.01 0.00 -2.23 0.00 0.00 60.65 58.62 2dpd s ILE 73 Cb -0.13 -0.34 0.38 0.00 -1.58 0.00 0.00 42.46 40.79 2dpd s ILE 73 CO 0.24 0.12 1.73 0.29 -1.23 0.00 0.00 174.94 176.09 2dpd n LYS 74 N 3.17 1.88 -0.11 2.79 5.02 -1.26 -0.66 118.16 128.99 2dpd n LYS 74 Ca -0.15 -1.96 -0.13 0.00 -2.02 0.00 0.00 58.31 54.05 2dpd n LYS 74 Cb 0.57 -1.77 0.12 0.00 -0.02 0.00 0.00 35.03 33.93 2dpd n LYS 74 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2dpd n VAL 75 N -0.37 0.00 -3.94 -0.18 0.24 -1.08 -4.27 118.33 108.73 2dpd n VAL 75 Ca 0.38 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.38 2dpd n VAL 75 Cb 1.03 -0.41 -0.16 0.00 -1.47 0.00 0.00 33.84 32.83 2dpd n VAL 75 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2dpd s LYS 76 N -3.73 1.60 -0.55 7.34 1.02 -1.26 -1.54 119.74 122.62 2dpd s LYS 76 Ca 0.28 -1.01 -0.19 0.00 0.02 0.00 0.00 55.97 55.07 2dpd s LYS 76 Cb -0.05 -2.59 0.08 0.00 -0.52 0.00 0.00 37.83 34.75 2dpd s LYS 76 CO 0.23 -0.61 0.66 0.21 -0.92 0.00 0.00 175.35 174.92 2dpd s LYS 77 N 1.39 3.08 -0.00 1.68 2.20 -1.23 -4.97 119.74 121.88 2dpd s LYS 77 Ca -0.05 -1.14 -0.00 0.00 -0.36 0.00 0.00 55.97 54.42 2dpd s LYS 77 Cb -0.19 -4.19 -0.00 0.00 -1.51 0.00 0.00 37.83 31.94 2dpd s LYS 77 CO -0.07 -1.39 0.28 0.93 -0.36 0.00 0.00 175.35 174.75 2dpd h GLU 78 N 9.09 -0.00 0.00 4.03 5.08 -1.86 -3.40 114.58 127.52 2dpd h GLU 78 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2dpd h GLU 78 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2dpd h GLU 78 CO 1.04 -0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.45 2dpd n GLY 79 N 1.16 1.57 0.00 -3.84 0.00 -1.26 -1.90 105.19 100.93 2dpd n GLY 79 Ca -0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2dpd n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dpd n ALA 80 N 0.22 0.07 -2.55 4.61 0.00 -1.26 -5.12 120.51 116.48 2dpd n ALA 80 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2dpd n ALA 80 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2dpd n ALA 80 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2dpd n LYS 81 N -0.02 3.93 -2.92 0.00 4.01 -0.80 -5.11 118.16 117.26 2dpd n LYS 81 Ca 0.00 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.66 2dpd n LYS 81 Cb 0.06 0.00 0.01 0.00 -0.51 0.00 0.00 35.03 34.59 2dpd n LYS 81 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2dpd n LEU 82 N 0.00 -1.70 -4.66 -0.35 7.94 -1.26 -4.62 117.00 112.35 2dpd n LEU 82 Ca 0.00 -3.86 -0.35 0.00 -1.11 0.00 0.00 56.01 50.70 2dpd n LEU 82 Cb 0.00 0.77 -0.10 0.00 0.53 0.00 0.00 43.42 44.62 2dpd n LEU 82 CO 0.00 2.04 -0.32 0.00 -1.11 0.00 0.00 177.39 178.00 2dpd s GLN 83 N -0.06 3.03 0.16 1.96 -2.07 -1.26 -5.08 119.66 116.34 2dpd s GLN 83 Ca 0.33 -0.43 -0.30 0.00 -1.82 0.00 0.00 55.36 53.14 2dpd s GLN 83 Cb 0.21 -2.79 -0.07 0.00 -1.09 0.00 0.00 33.01 29.27 2dpd s GLN 83 CO -0.19 0.66 1.04 -1.21 -1.32 0.00 0.00 175.29 174.27 2dpd s GLU 84 N -0.75 4.65 -0.16 9.60 2.02 -1.26 -3.56 118.70 129.23 2dpd s GLU 84 Ca 0.12 1.62 -0.08 0.00 0.02 0.00 0.00 54.97 56.64 2dpd s GLU 84 Cb -0.11 -3.31 0.06 0.00 0.10 0.00 0.00 34.13 30.87 2dpd s GLU 84 CO 0.02 0.16 0.38 0.08 0.02 0.00 0.00 175.26 175.92 2dpd s VAL 85 N -0.25 -0.08 -0.53 2.63 1.01 -0.59 -4.99 120.40 117.60 2dpd s VAL 85 Ca 0.48 0.11 -0.25 0.00 0.00 0.00 0.00 61.98 62.32 2dpd s VAL 85 Cb -0.27 -0.57 0.03 0.00 0.00 0.00 0.00 36.38 35.57 2dpd s VAL 85 CO 0.33 0.05 0.99 -0.69 0.00 0.00 0.00 175.10 175.78 2dpd s VAL 86 N 1.49 4.34 0.55 2.92 1.01 -1.26 -2.64 120.40 126.80 2dpd s VAL 86 Ca -0.09 0.55 -0.01 0.00 0.00 0.00 0.00 61.98 62.43 2dpd s VAL 86 Cb -0.09 -4.55 0.02 0.00 0.00 0.00 0.00 36.38 31.77 2dpd s VAL 86 CO -0.12 -1.07 0.80 -0.76 0.00 0.00 0.00 175.10 173.94 2dpd s LEU 87 N 4.09 3.31 -0.02 3.92 1.43 0.17 -4.41 118.68 127.17 2dpd s LEU 87 Ca 0.35 0.25 0.05 0.00 -1.03 0.00 0.00 54.13 53.76 2dpd s LEU 87 Cb -0.11 -3.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.01 2dpd s LEU 87 CO 0.23 -1.07 -0.18 -0.31 0.23 0.00 0.00 176.35 175.25 2dpd s TYR 88 N -2.81 1.64 0.18 0.29 1.51 -0.70 -2.11 117.35 115.35 2dpd s TYR 88 Ca 0.55 -0.34 -0.01 0.00 -1.01 0.00 0.00 57.07 56.25 2dpd s TYR 88 Cb -0.10 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.64 2dpd s TYR 88 CO 0.40 -0.06 0.11 1.14 -1.11 0.00 0.00 175.55 176.04 2dpd s GLN 89 N -0.33 1.13 0.21 -0.62 -2.07 -0.92 -4.43 119.66 112.63 2dpd s GLN 89 Ca 0.05 -1.58 -0.30 0.00 -1.82 0.00 0.00 55.36 51.71 2dpd s GLN 89 Cb -0.08 0.25 -0.09 0.00 -1.09 0.00 0.00 33.01 32.01 2dpd s GLN 89 CO -0.00 -0.35 1.24 -0.06 -1.32 0.00 0.00 175.29 174.80 2dpd s PHE 90 N -4.12 3.34 -0.14 9.60 0.08 -1.26 -0.85 117.98 124.63 2dpd s PHE 90 Ca 0.35 1.37 -0.12 0.00 0.12 0.00 0.00 56.93 58.65 2dpd s PHE 90 Cb 0.07 -3.50 -0.04 0.00 -0.57 0.00 0.00 43.02 38.98 2dpd s PHE 90 CO 0.09 -1.46 -0.24 1.17 -0.10 0.00 0.00 175.22 174.69 2dpd n LYS 91 N 2.31 0.43 -3.95 0.44 4.81 0.21 -4.70 118.16 117.72 2dpd n LYS 91 Ca 0.04 0.32 -0.31 0.00 -0.87 0.00 0.00 58.31 57.49 2dpd n LYS 91 Cb 0.44 -1.42 -0.15 0.00 0.02 0.00 0.00 35.03 33.93 2dpd n LYS 91 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2dpd s ASP 92 N -5.55 4.50 0.43 3.14 -1.08 -0.57 -4.97 116.67 112.58 2dpd s ASP 92 Ca -0.20 -2.40 0.24 0.00 -0.52 0.00 0.00 52.55 49.68 2dpd s ASP 92 Cb 0.03 -1.53 0.81 0.00 -1.46 0.00 0.00 42.92 40.77 2dpd s ASP 92 CO 0.29 -0.33 1.78 0.22 0.52 0.00 0.00 175.17 177.65 2dpd h TYR 93 N 7.27 0.00 -0.08 -5.34 3.20 -1.89 -2.00 116.97 118.13 2dpd h TYR 93 Ca -0.06 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 2dpd h TYR 93 Cb 0.97 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.24 2dpd h TYR 93 CO 0.47 0.21 0.01 0.93 -1.64 0.00 0.00 178.16 178.14 2dpd h GLU 94 N 0.00 0.13 -0.93 1.82 5.08 -1.96 -0.89 114.58 117.82 2dpd h GLU 94 Ca -0.00 -0.04 0.23 0.00 -1.00 0.00 0.00 59.36 58.55 2dpd h GLU 94 Cb 0.82 -0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.94 2dpd h GLU 94 CO 0.03 0.37 0.47 0.00 -1.00 0.00 0.00 179.01 178.87 2dpd h ALA 95 N 0.76 1.55 0.53 3.43 0.00 -1.87 -0.56 119.26 123.10 2dpd h ALA 95 Ca 0.02 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2dpd h ALA 95 Cb 0.31 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2dpd h ALA 95 CO 0.00 -0.30 -0.25 0.00 0.00 0.00 0.00 179.25 178.70 2dpd h ALA 96 N 1.71 -0.71 -0.94 0.00 0.00 -1.15 -2.29 119.26 115.88 2dpd h ALA 96 Ca 0.59 -0.19 0.26 0.00 0.00 0.00 0.00 54.91 55.56 2dpd h ALA 96 Cb 1.10 0.27 -0.14 0.00 0.00 0.00 0.00 17.79 19.03 2dpd h ALA 96 CO -0.50 -0.78 0.44 0.87 0.00 0.00 0.00 179.25 179.28 2dpd h LYS 97 N -0.95 0.34 0.18 0.00 1.57 -0.36 0.23 116.57 117.58 2dpd h LYS 97 Ca -0.07 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2dpd h LYS 97 Cb 0.62 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2dpd h LYS 97 CO 0.12 0.22 -0.09 1.25 -0.57 0.00 0.00 179.45 180.38 2dpd h LEU 98 N 0.35 -0.21 -1.35 2.94 5.85 -1.07 -2.25 115.31 119.58 2dpd h LEU 98 Ca 0.63 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 59.11 2dpd h LEU 98 Cb 1.30 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 2dpd h LEU 98 CO -0.58 0.10 0.13 0.22 -0.34 0.00 0.00 178.44 177.97 2dpd h TYR 99 N -0.53 0.57 -0.83 1.25 -0.00 -0.69 -1.77 116.97 114.97 2dpd h TYR 99 Ca -0.03 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.73 58.65 2dpd h TYR 99 Cb 0.40 -0.18 -0.04 0.00 -0.00 0.00 0.00 36.73 36.92 2dpd h TYR 99 CO 0.02 0.48 0.40 -0.22 -0.00 0.00 0.00 178.16 178.84 2dpd h LYS 100 N 0.57 1.19 -0.36 1.82 3.64 -0.45 -1.86 116.57 121.12 2dpd h LYS 100 Ca 0.14 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 2dpd h LYS 100 Cb 0.17 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2dpd h LYS 100 CO -0.01 0.91 -0.11 0.87 -2.27 0.00 0.00 179.45 178.84 2dpd h LYS 101 N 1.18 0.71 -0.64 1.90 1.57 -0.73 -1.57 116.57 118.98 2dpd h LYS 101 Ca 0.29 -0.28 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 2dpd h LYS 101 Cb 0.11 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.30 2dpd h LYS 101 CO -0.04 0.88 0.23 1.96 -0.57 0.00 0.00 179.45 181.91 2dpd h GLN 102 N 0.50 0.38 0.00 3.15 4.20 -1.24 -2.08 115.11 120.02 2dpd h GLN 102 Ca 0.09 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 2dpd h GLN 102 Cb 0.63 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 2dpd h GLN 102 CO 0.04 0.25 -0.29 -0.07 -0.67 0.00 0.00 178.83 178.09 2dpd h LEU 103 N 0.39 0.00 0.01 1.46 3.38 -1.02 0.05 115.31 119.58 2dpd h LEU 103 Ca 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 2dpd h LEU 103 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2dpd h LEU 103 CO -0.35 0.29 -0.01 0.50 0.09 0.00 0.00 178.44 178.97 2dpd h LYS 104 N 0.00 -0.01 -0.45 1.13 1.63 -0.73 -0.76 116.57 117.38 2dpd h LYS 104 Ca -0.00 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.87 2dpd h LYS 104 Cb 0.72 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.29 2dpd h LYS 104 CO 0.04 0.16 0.10 0.28 -3.45 0.00 0.00 179.45 176.58 2dpd h VAL 105 N -0.18 0.77 0.10 2.00 2.07 -0.63 0.14 116.25 120.51 2dpd h VAL 105 Ca -0.00 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.46 2dpd h VAL 105 Cb 0.18 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2dpd h VAL 105 CO 0.00 0.04 -0.28 -0.33 0.02 0.00 0.00 177.57 177.02 2dpd h GLU 106 N 0.24 -0.47 -0.90 1.57 4.39 -0.97 -1.54 114.58 116.91 2dpd h GLU 106 Ca 0.22 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.98 2dpd h GLU 106 Cb 0.28 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.99 2dpd h GLU 106 CO -0.28 -0.31 0.59 -0.07 -1.16 0.00 0.00 179.01 177.78 2dpd h LEU 107 N -0.49 1.00 -0.08 1.33 3.38 -0.69 -0.04 115.31 119.72 2dpd h LEU 107 Ca 0.04 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2dpd h LEU 107 Cb 0.53 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2dpd h LEU 107 CO -0.18 0.71 0.02 0.44 0.09 0.00 0.00 178.44 179.52 2dpd h ASP 108 N 1.17 0.03 -0.40 -0.43 3.32 -0.14 0.11 116.42 120.09 2dpd h ASP 108 Ca 0.34 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.43 2dpd h ASP 108 Cb -0.06 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 2dpd h ASP 108 CO -0.09 0.03 0.21 0.03 -1.72 0.00 0.00 179.24 177.70 2dpd h ARG 109 N 0.06 0.42 -0.24 3.56 3.08 -0.99 -1.77 114.38 118.50 2dpd h ARG 109 Ca 0.03 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.11 2dpd h ARG 109 Cb 0.02 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 29.92 2dpd h ARG 109 CO -0.04 0.28 -0.09 0.77 -1.07 0.00 0.00 179.97 179.82 2dpd h SER 110 N 0.43 -0.32 -0.19 7.04 0.02 -0.24 0.25 113.55 120.55 2dpd h SER 110 Ca 0.16 0.08 0.05 0.00 -0.84 0.00 0.00 61.79 61.25 2dpd h SER 110 Cb 0.05 0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.71 2dpd h SER 110 CO -0.10 -0.12 -0.31 0.50 -1.14 0.00 0.00 176.83 175.66 2dpd h LYS 111 N -0.05 -0.34 -0.39 3.45 3.64 -0.72 -2.27 116.57 119.90 2dpd h LYS 111 Ca 0.12 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.61 2dpd h LYS 111 Cb 0.23 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.05 2dpd h LYS 111 CO -0.27 -0.22 -0.17 -0.22 -2.27 0.00 0.00 179.45 176.30 2dpd h LYS 112 N -0.35 -0.09 -0.04 1.90 3.64 0.30 0.87 116.57 122.80 2dpd h LYS 112 Ca 0.11 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 2dpd h LYS 112 Cb 0.53 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.32 2dpd h LYS 112 CO -0.38 -0.06 -0.22 -0.07 -2.27 0.00 0.00 179.45 176.44 2dpd h LEU 113 N -0.09 -0.67 -0.28 5.20 3.38 -0.69 0.27 115.31 122.43 2dpd h LEU 113 Ca 0.19 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.29 2dpd h LEU 113 Cb 0.39 0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2dpd h LEU 113 CO -0.45 -0.29 0.09 0.40 0.09 0.00 0.00 178.44 178.29 2dpd h ILE 114 N -0.33 0.92 0.00 1.22 5.03 -0.58 0.14 117.51 123.91 2dpd h ILE 114 Ca 0.07 -0.08 -0.06 0.00 -0.12 0.00 0.00 64.86 64.68 2dpd h ILE 114 Cb 0.43 0.69 -0.01 0.00 -3.03 0.00 0.00 36.82 34.90 2dpd h ILE 114 CO -0.23 0.04 -0.27 -0.33 -0.68 0.00 0.00 178.15 176.67 2dpd h GLU 115 N 0.22 0.00 -0.04 2.37 5.08 -0.34 0.15 114.58 122.02 2dpd h GLU 115 Ca 0.12 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 2dpd h GLU 115 Cb 0.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2dpd h GLU 115 CO -0.13 0.27 -0.47 -0.22 -1.00 0.00 0.00 179.01 177.47 2dpd h LYS 116 N 0.00 0.39 -0.32 2.33 3.64 0.98 -2.17 116.57 121.43 2dpd h LYS 116 Ca -0.00 -0.36 0.02 0.00 -1.27 0.00 0.00 60.65 59.03 2dpd h LYS 116 Cb 0.56 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 2dpd h LYS 116 CO 0.04 1.02 0.17 0.00 -2.27 0.00 0.00 179.45 178.41 2dpd h ALA 117 N 0.38 0.39 0.00 5.00 0.00 -0.47 -1.50 119.26 123.06 2dpd h ALA 117 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2dpd h ALA 117 Cb 1.15 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2dpd h ALA 117 CO 0.09 -0.20 -0.04 1.25 0.00 0.00 0.00 179.25 180.36 2dpd h LEU 118 N 0.36 0.00 0.05 0.00 7.12 -0.74 -2.23 115.31 119.86 2dpd h LEU 118 Ca 0.13 0.00 -0.24 0.00 0.13 0.00 0.00 57.88 57.90 2dpd h LEU 118 Cb 0.02 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.13 2dpd h LEU 118 CO -0.07 0.04 -1.27 -1.28 -0.13 0.00 0.00 178.44 175.73 2dpd h SER 119 N 0.00 0.17 0.06 1.25 0.87 -0.65 -3.28 113.55 111.97 2dpd h SER 119 Ca -0.00 -0.72 -0.00 0.00 -1.23 0.00 0.00 61.79 59.84 2dpd h SER 119 Cb 0.18 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2dpd h SER 119 CO 0.01 1.53 -0.03 0.44 -0.53 0.00 0.00 176.83 178.24 2dpd h ASP 120 N -0.66 -0.06 0.82 6.23 3.32 -1.24 -3.34 116.42 121.49 2dpd h ASP 120 Ca -0.31 -0.36 -0.16 0.00 0.02 0.00 0.00 57.03 56.22 2dpd h ASP 120 Cb 1.50 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 41.05 2dpd h ASP 120 CO -0.07 0.34 -0.76 0.78 -1.72 0.00 0.00 179.24 177.81 2dpd h ASN 121 N -0.48 0.00 -0.00 6.45 4.21 -1.62 -3.52 115.58 120.63 2dpd h ASN 121 Ca -0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 2dpd h ASN 121 Cb 0.42 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 2dpd h ASN 121 CO 0.01 0.76 0.00 0.49 -1.29 0.00 0.00 177.43 177.40