#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1b n ARG 2 N 0.00 0.16 0.00 0.00 1.74 -1.26 -4.94 116.66 112.37 3e1b n ARG 2 Ca 0.00 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 3e1b n ARG 2 Cb 0.00 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 29.68 3e1b n ARG 2 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3e1b n VAL 3 N -2.05 0.00 -2.39 1.55 3.14 -1.26 -4.85 118.33 112.48 3e1b n VAL 3 Ca 0.04 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.29 3e1b n VAL 3 Cb 0.29 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.06 3e1b n VAL 3 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 3e1b n LYS 4 N 0.00 -2.13 -1.17 1.45 4.81 -1.26 -4.49 118.16 115.37 3e1b n LYS 4 Ca 0.00 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 3e1b n LYS 4 Cb 0.00 -5.23 0.00 0.00 0.02 0.00 0.00 35.03 29.82 3e1b n LYS 4 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3e1b n ARG 5 N -2.78 0.00 -0.54 1.64 5.12 -1.26 -5.05 116.66 113.80 3e1b n ARG 5 Ca -0.15 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 3e1b n ARG 5 Cb 0.61 -0.29 0.00 0.00 -1.16 0.00 0.00 32.46 31.62 3e1b n ARG 5 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3e1b n GLY 6 N 1.79 2.97 4.58 -0.13 0.00 -1.26 -5.05 105.19 108.08 3e1b n GLY 6 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3e1b n GLY 6 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3e1b n VAL 7 N 0.00 0.00 -0.04 1.61 0.24 -1.26 -3.74 118.33 115.13 3e1b n VAL 7 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.26 3e1b n VAL 7 Cb 0.00 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.30 3e1b n VAL 7 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3e1b n ILE 8 N 0.00 0.58 -0.08 1.34 -5.35 -1.26 -4.55 119.36 110.04 3e1b n ILE 8 Ca 0.00 -0.36 0.19 0.00 -0.27 0.00 0.00 62.75 62.31 3e1b n ILE 8 Cb 0.00 -0.78 0.62 0.00 -1.74 0.00 0.00 39.64 37.74 3e1b n ILE 8 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3e1b h ALA 9 N 0.41 2.36 0.00 -1.28 0.00 -1.97 -0.35 119.26 118.43 3e1b h ALA 9 Ca -0.23 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 3e1b h ALA 9 Cb 1.52 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 3e1b h ALA 9 CO 0.01 -0.54 -1.66 0.54 0.00 0.00 0.00 179.25 177.60 3e1b n ARG 10 N -4.41 0.64 -0.27 0.00 5.12 -1.26 -4.46 116.66 112.01 3e1b n ARG 10 Ca 0.12 0.07 -0.05 0.00 -1.93 0.00 0.00 57.85 56.06 3e1b n ARG 10 Cb 0.60 -1.69 0.06 0.00 -1.16 0.00 0.00 32.46 30.26 3e1b n ARG 10 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3e1b h ALA 11 N 1.56 0.96 0.00 7.54 0.00 -1.30 -2.28 119.26 125.74 3e1b h ALA 11 Ca -0.17 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3e1b h ALA 11 Cb 1.48 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3e1b h ALA 11 CO 0.03 0.48 0.00 2.89 0.00 0.00 0.00 179.25 182.64 3e1b n ARG 12 N -4.45 0.84 -0.03 0.00 1.85 -1.17 -4.27 116.66 109.43 3e1b n ARG 12 Ca 0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.87 3e1b n ARG 12 Cb 0.10 -1.38 -0.02 0.00 -1.05 0.00 0.00 32.46 30.11 3e1b n ARG 12 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 3e1b n HIS 13 N -0.88 0.00 0.00 2.89 -0.00 -0.87 -4.87 115.22 111.49 3e1b n HIS 13 Ca 0.15 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.33 3e1b n HIS 13 Cb 0.07 -0.27 0.00 0.00 -0.12 0.00 0.00 29.99 29.67 3e1b n HIS 13 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 3e1b n LYS 14 N -3.88 0.00 0.00 1.57 0.00 -1.12 -4.99 118.16 109.75 3e1b n LYS 14 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.23 3e1b n LYS 14 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.31 3e1b n LYS 14 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3e1b n LYS 15 N -1.53 0.00 0.00 1.64 5.02 -1.26 -1.21 118.16 120.82 3e1b n LYS 15 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 3e1b n LYS 15 Cb 0.00 0.00 0.35 0.00 -0.02 0.00 0.00 35.03 35.36 3e1b n LYS 15 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3e1b n ILE 16 N 0.00 0.00 -1.54 -0.18 -0.00 -1.26 -4.89 119.36 111.48 3e1b n ILE 16 Ca 0.00 -0.10 -0.38 0.00 -0.00 0.00 0.00 62.75 62.27 3e1b n ILE 16 Cb 0.00 0.36 -0.05 0.00 -0.00 0.00 0.00 39.64 39.95 3e1b n ILE 16 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 3e1b n LEU 17 N -0.87 2.16 -4.56 7.28 7.94 -0.35 -4.89 117.00 123.72 3e1b n LEU 17 Ca 0.11 -0.31 -0.23 0.00 -1.11 0.00 0.00 56.01 54.46 3e1b n LEU 17 Cb 0.34 -1.49 -0.05 0.00 0.53 0.00 0.00 43.42 42.75 3e1b n LEU 17 CO 0.28 -1.35 1.39 -0.54 -1.11 0.00 0.00 177.39 176.06 3e1b s LYS 18 N 8.08 2.10 -0.29 1.96 -0.14 -1.26 -4.81 119.74 125.38 3e1b s LYS 18 Ca 1.03 0.31 -0.17 0.00 -1.36 0.00 0.00 55.97 55.79 3e1b s LYS 18 Cb -0.35 -4.83 0.14 0.00 -1.68 0.00 0.00 37.83 31.11 3e1b s LYS 18 CO 0.31 -3.77 0.97 -1.14 -0.76 0.00 0.00 175.35 170.96 3e1b s GLN 19 N 7.96 0.40 -0.11 1.68 0.74 -1.26 -5.13 119.66 123.94 3e1b s GLN 19 Ca 0.82 0.67 -0.06 0.00 0.05 0.00 0.00 55.36 56.84 3e1b s GLN 19 Cb -0.11 0.09 -0.05 0.00 1.10 0.00 0.00 33.01 34.04 3e1b s GLN 19 CO 0.08 -0.08 -0.15 0.00 -0.55 0.00 0.00 175.29 174.59 3e1b n ALA 20 N 3.57 2.25 -0.70 1.58 0.00 -1.26 -4.97 120.51 120.98 3e1b n ALA 20 Ca -0.18 -0.45 -0.30 0.00 0.00 0.00 0.00 53.44 52.51 3e1b n ALA 20 Cb 0.57 0.34 0.26 0.00 0.00 0.00 0.00 19.45 20.62 3e1b n ALA 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3e1b s LYS 21 N -2.22 -1.76 0.00 0.00 0.00 -1.26 -5.06 119.74 109.44 3e1b s LYS 21 Ca -0.16 0.22 0.00 0.00 0.00 0.00 0.00 55.97 56.03 3e1b s LYS 21 Cb 0.06 -1.51 0.00 0.00 0.00 0.00 0.00 37.83 36.38 3e1b s LYS 21 CO 0.20 -4.13 0.00 0.41 0.00 0.00 0.00 175.35 171.83 3e1b n GLY 22 N 0.31 -1.54 2.96 0.59 0.00 -1.26 -5.02 105.19 101.22 3e1b n GLY 22 Ca 0.10 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.90 3e1b n GLY 22 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3e1b n TYR 23 N 0.00 0.00 -1.78 1.61 4.02 -1.26 -4.38 117.16 115.38 3e1b n TYR 23 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.99 3e1b n TYR 23 Cb 0.00 -1.44 -0.02 0.00 -0.02 0.00 0.00 39.34 37.86 3e1b n TYR 23 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3e1b n TYR 24 N -2.19 -2.75 0.00 -0.72 4.02 -1.26 -4.30 117.16 109.95 3e1b n TYR 24 Ca 0.00 0.91 0.00 0.00 -0.01 0.00 0.00 57.90 58.80 3e1b n TYR 24 Cb 0.30 -1.63 0.00 0.00 -0.02 0.00 0.00 39.34 38.00 3e1b n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3e1b n GLY 25 N -2.25 0.00 0.28 2.72 0.00 -1.26 -2.10 105.19 102.59 3e1b n GLY 25 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.19 3e1b n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e1b h ALA 26 N -0.93 1.11 0.00 4.61 0.00 -1.97 -1.06 119.26 121.03 3e1b h ALA 26 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3e1b h ALA 26 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3e1b h ALA 26 CO 0.00 0.08 -0.74 -2.13 0.00 0.00 0.00 179.25 176.46 3e1b n ARG 27 N -3.31 0.15 0.00 0.00 0.63 -1.25 -4.71 116.66 108.17 3e1b n ARG 27 Ca -0.01 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 3e1b n ARG 27 Cb 0.23 -1.57 0.00 0.00 0.45 0.00 0.00 32.46 31.58 3e1b n ARG 27 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3e1b n SER 28 N -1.78 0.00 0.12 6.15 2.88 -1.05 -2.41 113.62 117.53 3e1b n SER 28 Ca 0.04 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.67 3e1b n SER 28 Cb 0.39 0.04 0.44 0.00 -0.75 0.00 0.00 64.21 64.33 3e1b n SER 28 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 3e1b n ARG 29 N -1.63 0.12 0.00 -1.46 0.63 -0.48 -0.75 116.66 113.09 3e1b n ARG 29 Ca 0.00 0.54 0.00 0.00 -0.92 0.00 0.00 57.85 57.47 3e1b n ARG 29 Cb 0.00 -1.83 0.00 0.00 0.45 0.00 0.00 32.46 31.08 3e1b n ARG 29 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 3e1b n VAL 30 N -2.07 0.00 0.00 5.15 0.24 -0.71 -4.97 118.33 115.97 3e1b n VAL 30 Ca -0.00 1.30 0.00 0.00 -2.04 0.00 0.00 64.34 63.60 3e1b n VAL 30 Cb 0.08 -2.26 0.00 0.00 -1.47 0.00 0.00 33.84 30.19 3e1b n VAL 30 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3e1b n TYR 31 N -1.45 0.00 0.32 6.34 4.19 0.07 -5.08 117.16 121.55 3e1b n TYR 31 Ca 0.00 0.00 0.08 0.00 3.31 0.00 0.00 57.90 61.29 3e1b n TYR 31 Cb 0.00 0.00 0.38 0.00 0.49 0.00 0.00 39.34 40.21 3e1b n TYR 31 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3e1b n ARG 32 N -0.22 0.10 0.24 2.98 1.74 -1.17 -0.76 116.66 119.58 3e1b n ARG 32 Ca 0.00 0.43 0.12 0.00 -0.77 0.00 0.00 57.85 57.63 3e1b n ARG 32 Cb 0.00 -1.73 0.56 0.00 -1.02 0.00 0.00 32.46 30.27 3e1b n ARG 32 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 3e1b h VAL 33 N 0.00 0.42 0.00 1.55 3.04 -1.64 -3.42 116.25 116.20 3e1b h VAL 33 Ca 0.00 -0.89 -0.00 0.00 -1.01 0.00 0.00 66.70 64.80 3e1b h VAL 33 Cb 0.20 1.64 -0.00 0.00 -2.01 0.00 0.00 31.29 31.13 3e1b h VAL 33 CO 0.00 0.15 -0.02 0.00 -1.01 0.00 0.00 177.57 176.69 3e1b h ALA 34 N 1.84 1.58 0.00 3.17 0.00 -1.26 -2.91 119.26 121.68 3e1b h ALA 34 Ca -0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3e1b h ALA 34 Cb 0.63 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3e1b h ALA 34 CO 0.02 0.03 -1.26 1.19 0.00 0.00 0.00 179.25 179.22 3e1b n PHE 35 N -3.96 0.00 0.00 0.00 0.99 -1.26 -4.31 117.46 108.92 3e1b n PHE 35 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.42 3e1b n PHE 35 Cb 0.11 -0.18 0.00 0.00 -1.00 0.00 0.00 39.48 38.41 3e1b n PHE 35 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 3e1b n GLN 36 N -2.80 3.24 0.00 -1.08 7.27 -1.25 -4.82 117.38 117.94 3e1b n GLN 36 Ca -0.09 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.02 3e1b n GLN 36 Cb 0.58 -0.44 -0.04 0.00 2.41 0.00 0.00 30.24 32.76 3e1b n GLN 36 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3e1b n ALA 37 N -0.56 2.94 0.28 1.69 0.00 -1.22 -4.80 120.51 118.84 3e1b n ALA 37 Ca 0.00 -0.24 0.14 0.00 0.00 0.00 0.00 53.44 53.35 3e1b n ALA 37 Cb 0.00 -0.27 0.77 0.00 0.00 0.00 0.00 19.45 19.95 3e1b n ALA 37 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3e1b h VAL 38 N 0.12 0.00 -0.61 0.00 3.04 -1.83 -2.78 116.25 114.19 3e1b h VAL 38 Ca 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.62 3e1b h VAL 38 Cb 0.19 0.63 -0.03 0.00 -2.01 0.00 0.00 31.29 30.07 3e1b h VAL 38 CO 0.00 0.00 0.11 0.40 -1.01 0.00 0.00 177.57 177.07 3e1b h ILE 39 N 0.00 1.25 -0.52 3.17 5.03 -1.91 -3.39 117.51 121.14 3e1b h ILE 39 Ca 0.00 -0.96 0.09 0.00 -0.12 0.00 0.00 64.86 63.88 3e1b h ILE 39 Cb 0.42 0.67 -0.11 0.00 -3.03 0.00 0.00 36.82 34.77 3e1b h ILE 39 CO 0.00 0.36 -0.34 0.50 -0.68 0.00 0.00 178.15 177.99 3e1b h LYS 40 N 0.92 -0.19 0.42 2.37 3.11 -1.89 -3.13 116.57 118.19 3e1b h LYS 40 Ca 0.19 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.04 3e1b h LYS 40 Cb 0.39 0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.64 3e1b h LYS 40 CO 0.01 -0.13 -0.43 0.00 -2.81 0.00 0.00 179.45 176.09 3e1b h ALA 41 N 0.89 -0.94 0.00 5.00 0.00 -1.85 -2.06 119.26 120.30 3e1b h ALA 41 Ca 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3e1b h ALA 41 Cb 0.55 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3e1b h ALA 41 CO -0.63 -1.07 0.01 0.78 0.00 0.00 0.00 179.25 178.34 3e1b h GLY 42 N -0.87 0.00 1.91 0.00 0.00 -1.83 -3.16 103.07 99.12 3e1b h GLY 42 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3e1b h GLY 42 CO -0.07 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 176.29 3e1b n GLN 43 N -2.79 0.06 0.29 4.80 7.27 -0.77 -1.89 117.38 124.35 3e1b n GLN 43 Ca -0.02 0.18 0.19 0.00 0.07 0.00 0.00 57.00 57.41 3e1b n GLN 43 Cb 0.07 -1.50 0.81 0.00 2.41 0.00 0.00 30.24 32.02 3e1b n GLN 43 CO 0.00 0.00 0.00 1.88 0.07 0.00 0.00 177.06 179.01 3e1b h TYR 44 N 0.00 0.00 -0.02 3.69 -1.99 -1.67 -3.11 116.97 113.87 3e1b h TYR 44 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3e1b h TYR 44 Cb 0.27 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.00 3e1b h TYR 44 CO 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 178.16 178.13 3e1b n ALA 45 N -2.09 2.61 0.14 3.88 0.00 -0.79 -4.46 120.51 119.80 3e1b n ALA 45 Ca -0.00 -0.49 0.04 0.00 0.00 0.00 0.00 53.44 52.99 3e1b n ALA 45 Cb 0.25 -1.09 0.17 0.00 0.00 0.00 0.00 19.45 18.78 3e1b n ALA 45 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3e1b n TYR 46 N 0.31 0.15 0.09 0.00 4.19 -1.18 -4.24 117.16 116.47 3e1b n TYR 46 Ca 0.17 0.07 0.00 0.00 3.31 0.00 0.00 57.90 61.46 3e1b n TYR 46 Cb 0.40 -0.62 0.00 0.00 0.49 0.00 0.00 39.34 39.61 3e1b n TYR 46 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 3e1b n ARG 47 N -1.65 0.00 0.00 2.98 0.00 -1.26 -5.04 116.66 111.69 3e1b n ARG 47 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 3e1b n ARG 47 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.51 3e1b n ARG 47 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3e1b n ASP 48 N -2.91 0.00 -0.31 6.15 9.92 -1.26 -2.67 116.55 125.47 3e1b n ASP 48 Ca 0.00 0.24 0.14 0.00 -0.53 0.00 0.00 54.79 54.64 3e1b n ASP 48 Cb 0.00 -0.24 0.37 0.00 -0.64 0.00 0.00 41.12 40.61 3e1b n ASP 48 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 3e1b h ARG 49 N 0.00 0.66 0.00 -1.24 2.47 -1.92 0.11 114.38 114.46 3e1b h ARG 49 Ca 0.00 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.65 3e1b h ARG 49 Cb 0.03 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.20 3e1b h ARG 49 CO 0.00 0.44 -0.15 0.00 0.56 0.00 0.00 179.97 180.81 3e1b h ARG 50 N 0.68 0.00 0.00 0.04 3.08 -1.93 -3.38 114.38 112.88 3e1b h ARG 50 Ca 0.51 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 60.24 3e1b h ARG 50 Cb 0.89 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.88 3e1b h ARG 50 CO -0.27 0.15 -2.20 0.94 -1.07 0.00 0.00 179.97 177.52 3e1b n GLN 51 N -3.21 1.01 0.14 0.04 -0.06 0.13 -4.34 117.38 111.09 3e1b n GLN 51 Ca 0.02 0.03 0.13 0.00 -2.00 0.00 0.00 57.00 55.18 3e1b n GLN 51 Cb 0.47 -1.44 0.44 0.00 -4.06 0.00 0.00 30.24 25.65 3e1b n GLN 51 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 3e1b h ARG 52 N 0.00 0.00 -0.56 3.69 9.65 -1.13 -3.37 114.38 122.66 3e1b h ARG 52 Ca -0.47 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.34 3e1b h ARG 52 Cb 1.98 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.53 3e1b h ARG 52 CO -0.00 0.00 0.09 -0.22 2.80 0.00 0.00 179.97 182.64 3e1b h LYS 53 N 0.00 0.89 -0.95 0.20 3.64 -1.76 -2.17 116.57 116.42 3e1b h LYS 53 Ca 0.00 -0.21 0.31 0.00 -1.27 0.00 0.00 60.65 59.48 3e1b h LYS 53 Cb 0.61 -0.12 -0.18 0.00 -0.41 0.00 0.00 32.23 32.14 3e1b h LYS 53 CO 0.00 0.82 0.20 2.89 -2.27 0.00 0.00 179.45 181.09 3e1b n ARG 54 N -4.24 -0.07 0.09 1.90 1.85 -1.26 -1.34 116.66 113.59 3e1b n ARG 54 Ca 0.04 1.39 0.18 0.00 -1.00 0.00 0.00 57.85 58.46 3e1b n ARG 54 Cb 0.26 -2.30 0.73 0.00 -1.05 0.00 0.00 32.46 30.09 3e1b n ARG 54 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 3e1b h GLN 55 N 0.00 0.00 0.00 2.89 1.08 -1.67 -2.95 115.11 114.46 3e1b h GLN 55 Ca 0.66 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.82 3e1b h GLN 55 Cb 1.53 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.95 3e1b h GLN 55 CO -0.84 0.00 -1.61 1.19 -0.95 0.00 0.00 178.83 176.62 3e1b n PHE 56 N -4.17 0.00 -0.34 2.96 3.01 -0.45 -4.70 117.46 113.77 3e1b n PHE 56 Ca 0.06 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.53 3e1b n PHE 56 Cb 0.48 -0.33 0.06 0.00 -0.01 0.00 0.00 39.48 39.68 3e1b n PHE 56 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3e1b n ARG 57 N -2.02 -0.18 0.27 -1.08 0.63 -1.07 -0.82 116.66 112.40 3e1b n ARG 57 Ca -0.05 1.38 0.18 0.00 -0.92 0.00 0.00 57.85 58.44 3e1b n ARG 57 Cb 0.42 -2.06 0.90 0.00 0.45 0.00 0.00 32.46 32.17 3e1b n ARG 57 CO 0.00 0.00 0.00 -0.56 -2.51 0.00 0.00 177.63 174.56 3e1b h GLN 58 N 0.00 0.00 0.01 -0.14 3.07 -1.84 -3.13 115.11 113.08 3e1b h GLN 58 Ca 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 59.08 3e1b h GLN 58 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.13 3e1b h GLN 58 CO -0.90 0.00 -0.01 1.25 0.09 0.00 0.00 178.83 179.27 3e1b h LEU 59 N 0.00 -0.01 0.86 0.06 6.46 -1.31 -2.56 115.31 118.81 3e1b h LEU 59 Ca 0.04 -0.68 -0.04 0.00 -0.12 0.00 0.00 57.88 57.08 3e1b h LEU 59 Cb 0.53 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.47 3e1b h LEU 59 CO -0.00 0.68 -0.42 -0.50 -0.62 0.00 0.00 178.44 177.59 3e1b h TRP 60 N -0.72 -1.08 0.00 1.25 6.55 -1.66 -3.22 115.95 117.07 3e1b h TRP 60 Ca -0.00 -0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.81 3e1b h TRP 60 Cb 0.69 0.36 0.00 0.00 -0.86 0.00 0.00 29.16 29.35 3e1b h TRP 60 CO 0.17 -0.67 0.00 0.44 -1.05 0.00 0.00 178.44 177.33 3e1b n ILE 61 N -5.15 0.37 -0.08 1.49 -6.64 -1.22 -3.08 119.36 105.06 3e1b n ILE 61 Ca -0.14 0.09 -0.07 0.00 -1.77 0.00 0.00 62.75 60.86 3e1b n ILE 61 Cb 0.46 -0.85 -0.00 0.00 -1.44 0.00 0.00 39.64 37.81 3e1b n ILE 61 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3e1b h ALA 62 N 2.80 0.29 0.00 -1.28 0.00 -1.46 -2.38 119.26 117.23 3e1b h ALA 62 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3e1b h ALA 62 Cb 0.09 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3e1b h ALA 62 CO 0.00 -0.37 0.00 2.89 0.00 0.00 0.00 179.25 181.77 3e1b n ARG 63 N -5.11 0.27 -0.26 0.00 0.00 -1.18 -0.39 116.66 110.00 3e1b n ARG 63 Ca -0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 57.93 3e1b n ARG 63 Cb 0.13 -1.50 0.19 0.00 -0.00 0.00 0.00 32.46 31.28 3e1b n ARG 63 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 3e1b n ILE 64 N -1.00 1.91 0.00 8.89 -5.35 -0.90 -4.68 119.36 118.23 3e1b n ILE 64 Ca 0.06 -1.83 0.00 0.00 -0.27 0.00 0.00 62.75 60.71 3e1b n ILE 64 Cb 0.03 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 37.83 3e1b n ILE 64 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3e1b n ASN 65 N -0.68 0.00 -0.06 7.28 0.23 0.04 -4.26 115.26 117.80 3e1b n ASN 65 Ca 0.17 0.00 0.25 0.00 -0.53 0.00 0.00 54.58 54.46 3e1b n ASN 65 Cb 0.71 0.01 0.60 0.00 -2.08 0.00 0.00 39.78 39.01 3e1b n ASN 65 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3e1b h ALA 66 N 0.00 2.54 0.00 -2.53 0.00 -1.00 -1.88 119.26 116.39 3e1b h ALA 66 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3e1b h ALA 66 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3e1b h ALA 66 CO 0.00 -1.21 -0.80 0.00 0.00 0.00 0.00 179.25 177.24 3e1b n ALA 67 N -2.29 1.75 0.06 0.00 0.00 -1.26 -4.79 120.51 113.98 3e1b n ALA 67 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.55 3e1b n ALA 67 Cb 1.08 0.15 0.16 0.00 0.00 0.00 0.00 19.45 20.84 3e1b n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1b h ALA 68 N 0.00 0.96 -0.70 0.00 0.00 -1.84 -3.31 119.26 114.37 3e1b h ALA 68 Ca 0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3e1b h ALA 68 Cb 0.60 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3e1b h ALA 68 CO 0.00 0.64 0.43 -0.09 0.00 0.00 0.00 179.25 180.23 3e1b h ARG 69 N 0.29 0.93 0.63 0.00 9.65 -1.63 0.14 114.38 124.39 3e1b h ARG 69 Ca 0.02 -0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 3e1b h ARG 69 Cb 0.91 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.29 3e1b h ARG 69 CO 0.08 0.64 -0.33 0.37 2.80 0.00 0.00 179.97 183.52 3e1b h GLN 70 N 0.95 -0.86 0.00 0.20 4.15 -1.83 -2.10 115.11 115.62 3e1b h GLN 70 Ca 0.25 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.73 3e1b h GLN 70 Cb -0.06 0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3e1b h GLN 70 CO -0.05 -0.57 0.00 0.09 -1.93 0.00 0.00 178.83 176.37 3e1b n ASN 71 N -5.48 0.00 0.00 -0.69 4.13 -0.88 -4.91 115.26 107.43 3e1b n ASN 71 Ca -0.13 -0.37 0.00 0.00 1.68 0.00 0.00 54.58 55.76 3e1b n ASN 71 Cb 0.37 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.61 3e1b n ASN 71 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3e1b n GLY 72 N -0.28 1.69 1.37 7.41 0.00 0.27 -4.97 105.19 110.67 3e1b n GLY 72 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 3e1b n GLY 72 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3e1b n ILE 73 N -2.00 1.74 -1.09 -0.61 2.08 -0.00 -4.87 119.36 114.62 3e1b n ILE 73 Ca 0.00 -0.43 -0.50 0.00 0.56 0.00 0.00 62.75 62.38 3e1b n ILE 73 Cb 0.00 -1.31 -0.09 0.00 -0.75 0.00 0.00 39.64 37.48 3e1b n ILE 73 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 3e1b n SER 74 N 1.06 0.68 -0.29 4.38 7.64 -1.26 -4.66 113.62 121.17 3e1b n SER 74 Ca 0.03 0.63 0.17 0.00 1.01 0.00 0.00 58.87 60.71 3e1b n SER 74 Cb 0.52 -0.73 0.33 0.00 -1.01 0.00 0.00 64.21 63.33 3e1b n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3e1b n TYR 75 N 5.59 0.69 0.03 1.43 -0.00 -1.26 -1.00 117.16 122.64 3e1b n TYR 75 Ca 0.41 1.03 -0.15 0.00 -0.00 0.00 0.00 57.90 59.19 3e1b n TYR 75 Cb -0.04 -1.23 -0.14 0.00 -0.00 0.00 0.00 39.34 37.93 3e1b n TYR 75 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 3e1b h SER 76 N 0.00 0.28 0.45 2.98 0.87 -1.95 -2.85 113.55 113.34 3e1b h SER 76 Ca 0.59 -0.46 -0.19 0.00 -1.23 0.00 0.00 61.79 60.50 3e1b h SER 76 Cb 1.34 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.20 3e1b h SER 76 CO -0.76 1.39 -0.82 0.07 -0.53 0.00 0.00 176.83 176.18 3e1b h LYS 77 N 0.05 0.27 0.00 2.24 2.10 -1.84 -2.83 116.57 116.56 3e1b h LYS 77 Ca -0.27 -0.26 -0.01 0.00 -2.00 0.00 0.00 60.65 58.10 3e1b h LYS 77 Cb 2.00 0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 33.40 3e1b h LYS 77 CO 0.13 0.95 -0.07 0.35 -2.00 0.00 0.00 179.45 178.81 3e1b h PHE 78 N 0.17 0.00 0.16 0.07 3.57 -1.21 -3.23 116.94 116.47 3e1b h PHE 78 Ca -0.04 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.16 3e1b h PHE 78 Cb 1.42 0.00 0.02 0.00 2.79 0.00 0.00 35.95 40.18 3e1b h PHE 78 CO 0.04 0.07 -1.30 0.82 -2.23 0.00 0.00 178.31 175.70 3e1b h ILE 79 N 0.00 1.37 0.00 1.41 2.04 -1.27 0.11 117.51 121.17 3e1b h ILE 79 Ca -0.00 -2.77 0.00 0.00 1.00 0.00 0.00 64.86 63.09 3e1b h ILE 79 Cb 0.29 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 3e1b h ILE 79 CO 0.01 0.82 0.06 -0.55 0.00 0.00 0.00 178.15 178.49 3e1b h ASN 80 N 0.15 0.00 0.08 1.72 7.08 -1.55 -0.85 115.58 122.21 3e1b h ASN 80 Ca -0.18 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.03 3e1b h ASN 80 Cb 2.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.24 3e1b h ASN 80 CO 0.23 0.00 -0.04 1.23 -2.08 0.00 0.00 177.43 176.78 3e1b h GLY 81 N 0.00 -0.11 -0.58 9.14 0.00 -1.48 -3.38 103.07 106.66 3e1b h GLY 81 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.42 3e1b h GLY 81 CO 0.00 -0.04 -0.39 -2.00 0.00 0.00 0.00 176.54 174.12 3e1b h LEU 82 N -0.83 -1.39 -0.42 3.11 5.85 -0.49 -2.94 115.31 118.20 3e1b h LEU 82 Ca -0.01 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3e1b h LEU 82 Cb 0.08 0.61 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3e1b h LEU 82 CO 0.02 -0.17 0.00 1.17 -0.34 0.00 0.00 178.44 179.11 3e1b n LYS 83 N -4.48 0.63 0.18 1.25 4.81 -0.35 -1.01 118.16 119.19 3e1b n LYS 83 Ca 0.01 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.48 3e1b n LYS 83 Cb 0.18 -1.13 0.33 0.00 0.02 0.00 0.00 35.03 34.43 3e1b n LYS 83 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3e1b h LYS 84 N 0.16 0.00 -5.75 1.64 1.57 -1.69 -3.44 116.57 109.05 3e1b h LYS 84 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 3e1b h LYS 84 Cb 0.13 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.32 3e1b h LYS 84 CO 0.00 0.42 0.34 0.00 -0.57 0.00 0.00 179.45 179.64 3e1b s ALA 85 N -3.84 3.33 -1.79 3.86 0.00 -0.18 -4.97 121.76 118.16 3e1b s ALA 85 Ca -0.01 -0.92 0.11 0.00 0.00 0.00 0.00 51.96 51.13 3e1b s ALA 85 Cb 0.13 -3.42 0.62 0.00 0.00 0.00 0.00 23.12 20.44 3e1b s ALA 85 CO 0.71 -1.79 1.15 0.43 0.00 0.00 0.00 175.76 176.27 3e1b n SER 86 N 6.60 0.00 0.04 0.00 7.64 -1.26 -1.99 113.62 124.64 3e1b n SER 86 Ca 0.02 -0.17 0.07 0.00 1.01 0.00 0.00 58.87 59.80 3e1b n SER 86 Cb 0.48 -0.10 -0.08 0.00 -1.01 0.00 0.00 64.21 63.49 3e1b n SER 86 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3e1b n VAL 87 N -1.10 0.63 -3.72 0.44 0.24 -1.26 -4.84 118.33 108.72 3e1b n VAL 87 Ca 0.07 -0.59 -0.38 0.00 -2.04 0.00 0.00 64.34 61.40 3e1b n VAL 87 Cb 0.06 -0.34 -0.11 0.00 -1.47 0.00 0.00 33.84 31.97 3e1b n VAL 87 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3e1b s GLU 88 N -3.23 2.41 0.00 7.34 2.02 -0.84 -4.90 118.70 121.49 3e1b s GLU 88 Ca -0.04 -1.49 0.00 0.00 0.02 0.00 0.00 54.97 53.46 3e1b s GLU 88 Cb 0.10 -3.58 0.00 0.00 0.10 0.00 0.00 34.13 30.75 3e1b s GLU 88 CO 0.83 -0.89 0.00 0.44 0.02 0.00 0.00 175.26 175.66 3e1b n ILE 89 N 4.76 0.00 -1.41 -1.63 -5.35 -1.26 -4.44 119.36 110.03 3e1b n ILE 89 Ca -0.09 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.29 3e1b n ILE 89 Cb 0.43 -0.01 0.19 0.00 -1.74 0.00 0.00 39.64 38.50 3e1b n ILE 89 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3e1b n ASP 90 N -0.86 2.88 0.21 7.28 -0.08 -1.26 -4.65 116.55 120.07 3e1b n ASP 90 Ca 0.00 -3.75 0.09 0.00 -1.51 0.00 0.00 54.79 49.62 3e1b n ASP 90 Cb 0.08 -0.69 0.51 0.00 2.34 0.00 0.00 41.12 43.35 3e1b n ASP 90 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 3e1b h ARG 91 N 1.03 0.00 -0.49 -0.67 -0.00 -1.99 -3.36 114.38 108.91 3e1b h ARG 91 Ca 0.34 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 60.30 3e1b h ARG 91 Cb 1.97 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.92 3e1b h ARG 91 CO 0.60 0.00 0.19 -0.22 -0.00 0.00 0.00 179.97 180.54 3e1b h LYS 92 N 0.00 0.70 0.00 0.08 3.64 -2.02 -3.35 116.57 115.61 3e1b h LYS 92 Ca 0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3e1b h LYS 92 Cb 0.52 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3e1b h LYS 92 CO 0.00 0.58 0.00 -0.89 -2.27 0.00 0.00 179.45 176.87 3e1b n ILE 93 N -4.35 0.69 0.17 2.00 2.08 -1.26 -4.73 119.36 113.97 3e1b n ILE 93 Ca 0.04 0.23 0.16 0.00 0.56 0.00 0.00 62.75 63.74 3e1b n ILE 93 Cb 0.16 -1.15 0.60 0.00 -0.75 0.00 0.00 39.64 38.50 3e1b n ILE 93 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 3e1b h LEU 94 N 0.00 0.00 0.00 1.39 3.38 -1.79 -0.74 115.31 117.56 3e1b h LEU 94 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3e1b h LEU 94 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3e1b h LEU 94 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3e1b n ALA 95 N -2.02 1.29 0.23 1.53 0.00 -1.26 -3.65 120.51 116.64 3e1b n ALA 95 Ca 0.05 -0.02 0.15 0.00 0.00 0.00 0.00 53.44 53.62 3e1b n ALA 95 Cb 0.74 -1.07 0.62 0.00 0.00 0.00 0.00 19.45 19.73 3e1b n ALA 95 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3e1b h ASP 96 N 0.00 0.00 -0.01 0.00 1.82 -1.40 -2.39 116.42 114.45 3e1b h ASP 96 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 3e1b h ASP 96 Cb 0.06 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.07 3e1b h ASP 96 CO 0.00 0.00 0.35 -0.29 -1.61 0.00 0.00 179.24 177.69 3e1b h ILE 97 N 0.00 0.01 0.00 2.25 6.09 -1.86 -3.05 117.51 120.94 3e1b h ILE 97 Ca 0.09 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.56 3e1b h ILE 97 Cb 1.21 0.65 -0.00 0.00 0.47 0.00 0.00 36.82 39.14 3e1b h ILE 97 CO -0.00 0.00 -0.11 0.00 -3.07 0.00 0.00 178.15 174.97 3e1b h ALA 98 N 1.30 1.30 0.00 0.18 0.00 -1.72 -0.30 119.26 120.02 3e1b h ALA 98 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3e1b h ALA 98 Cb 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3e1b h ALA 98 CO -0.00 0.14 0.00 1.55 0.00 0.00 0.00 179.25 180.94 3e1b n VAL 99 N -3.66 0.49 0.00 0.00 3.14 -1.15 -3.65 118.33 113.50 3e1b n VAL 99 Ca -0.02 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 3e1b n VAL 99 Cb 0.23 -0.72 0.00 0.00 -1.06 0.00 0.00 33.84 32.29 3e1b n VAL 99 CO 0.00 0.00 0.00 2.22 -6.46 0.00 0.00 176.83 172.59 3e1b n PHE 100 N -1.84 0.00 1.90 1.45 -1.74 -1.17 -4.81 117.46 111.26 3e1b n PHE 100 Ca 0.05 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 57.05 3e1b n PHE 100 Cb 0.32 0.00 0.66 0.00 1.52 0.00 0.00 39.48 41.98 3e1b n PHE 100 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 3e1b n ASP 101 N -0.61 0.00 -0.10 5.98 2.03 -0.13 -4.71 116.55 119.00 3e1b n ASP 101 Ca 0.00 -1.21 -0.03 0.00 0.52 0.00 0.00 54.79 54.07 3e1b n ASP 101 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 3e1b n ASP 101 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3e1b n LYS 102 N -0.86 -0.11 0.00 -0.67 5.02 -1.24 -0.94 118.16 119.36 3e1b n LYS 102 Ca 0.17 0.37 0.08 0.00 -2.02 0.00 0.00 58.31 56.91 3e1b n LYS 102 Cb 0.08 -0.55 0.35 0.00 -0.02 0.00 0.00 35.03 34.89 3e1b n LYS 102 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3e1b n VAL 103 N -4.31 0.83 -0.00 -0.18 0.24 -1.26 -1.68 118.33 111.98 3e1b n VAL 103 Ca 0.00 0.21 -0.00 0.00 -2.04 0.00 0.00 64.34 62.51 3e1b n VAL 103 Cb 0.06 -0.93 -0.00 0.00 -1.47 0.00 0.00 33.84 31.50 3e1b n VAL 103 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3e1b n ALA 104 N -1.46 2.00 -0.27 2.33 0.00 -0.30 -4.58 120.51 118.23 3e1b n ALA 104 Ca 0.05 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.60 3e1b n ALA 104 Cb 0.18 0.14 0.40 0.00 0.00 0.00 0.00 19.45 20.17 3e1b n ALA 104 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3e1b h PHE 105 N 0.00 0.78 0.00 0.00 3.57 -0.95 -3.23 116.94 117.11 3e1b h PHE 105 Ca -0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3e1b h PHE 105 Cb 0.63 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.13 3e1b h PHE 105 CO 0.00 0.27 0.18 -2.37 -2.23 0.00 0.00 178.31 174.16 3e1b n THR 106 N -4.57 0.90 0.14 4.41 5.66 -0.67 -1.69 114.28 118.46 3e1b n THR 106 Ca 0.18 0.41 0.07 0.00 -3.05 0.00 0.00 64.05 61.66 3e1b n THR 106 Cb 0.52 -1.41 -0.11 0.00 -1.55 0.00 0.00 70.33 67.78 3e1b n THR 106 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3e1b n ALA 107 N -1.19 2.83 0.21 1.79 0.00 -1.22 -4.58 120.51 118.35 3e1b n ALA 107 Ca 0.00 -0.36 0.18 0.00 0.00 0.00 0.00 53.44 53.26 3e1b n ALA 107 Cb 0.18 -0.51 0.83 0.00 0.00 0.00 0.00 19.45 19.95 3e1b n ALA 107 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3e1b h LEU 108 N 0.00 0.00 -1.71 0.00 4.07 -1.53 0.19 115.31 116.33 3e1b h LEU 108 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3e1b h LEU 108 Cb 0.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.35 3e1b h LEU 108 CO 0.00 0.00 0.00 -0.37 -1.08 0.00 0.00 178.44 176.99 3e1b h VAL 109 N 0.00 0.00 0.00 1.22 -1.51 -1.81 -3.35 116.25 110.80 3e1b h VAL 109 Ca 0.10 -0.38 -0.10 0.00 -1.23 0.00 0.00 66.70 65.08 3e1b h VAL 109 Cb 0.69 1.35 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 3e1b h VAL 109 CO -0.00 0.00 -0.48 -0.33 -1.23 0.00 0.00 177.57 175.53 3e1b h GLU 110 N 0.00 0.00 -0.36 5.19 5.08 -0.94 -3.37 114.58 120.19 3e1b h GLU 110 Ca 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3e1b h GLU 110 Cb 0.39 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 3e1b h GLU 110 CO 0.00 0.48 -0.15 1.17 -1.00 0.00 0.00 179.01 179.51 3e1b n LYS 111 N -3.26 -0.10 0.00 2.33 4.81 -1.26 -2.53 118.16 118.16 3e1b n LYS 111 Ca 0.02 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 3e1b n LYS 111 Cb 0.70 -0.81 0.00 0.00 0.02 0.00 0.00 35.03 34.94 3e1b n LYS 111 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3e1b n ALA 112 N -3.80 0.71 -0.57 3.14 0.00 -1.26 -4.95 120.51 113.77 3e1b n ALA 112 Ca 0.03 -0.30 0.46 0.00 0.00 0.00 0.00 53.44 53.63 3e1b n ALA 112 Cb 0.13 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.34 3e1b n ALA 112 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3e1b h LYS 113 N 0.00 0.02 -0.00 0.00 3.64 -1.65 0.55 116.57 119.13 3e1b h LYS 113 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3e1b h LYS 113 Cb 0.86 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3e1b h LYS 113 CO 0.00 0.01 -0.07 0.00 -2.27 0.00 0.00 179.45 177.13 3e1b n ALA 114 N -2.74 2.60 -0.01 5.00 0.00 -1.26 -3.09 120.51 121.00 3e1b n ALA 114 Ca 0.41 -0.18 -0.03 0.00 0.00 0.00 0.00 53.44 53.64 3e1b n ALA 114 Cb 1.74 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 19.76 3e1b n ALA 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1b n ALA 115 N -1.28 2.75 -0.02 0.00 0.00 0.44 -4.92 120.51 117.47 3e1b n ALA 115 Ca 0.12 -0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 3e1b n ALA 115 Cb 0.28 0.40 0.06 0.00 0.00 0.00 0.00 19.45 20.20 3e1b n ALA 115 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3e1b h LEU 116 N -0.13 0.67 0.00 0.00 5.85 -0.20 -3.52 115.31 117.97 3e1b h LEU 116 Ca -0.08 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3e1b h LEU 116 Cb 0.89 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3e1b h LEU 116 CO -0.05 1.03 0.00 0.00 -0.34 0.00 0.00 178.44 179.09