#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1b n ASP 2 N 0.00 1.88 0.29 7.83 9.92 -1.26 -4.69 116.55 130.52 3e1b n ASP 2 Ca 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.27 3e1b n ASP 2 Cb 0.00 1.46 0.02 0.00 -0.64 0.00 0.00 41.12 41.97 3e1b n ASP 2 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 3e1b n LYS 3 N -2.07 0.03 0.00 -1.24 3.00 -1.26 -1.92 118.16 114.70 3e1b n LYS 3 Ca -0.06 0.93 0.00 0.00 -0.00 0.00 0.00 58.31 59.18 3e1b n LYS 3 Cb 0.46 -2.50 0.00 0.00 0.00 0.00 0.00 35.03 32.99 3e1b n LYS 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3e1b n LYS 4 N -2.49 3.63 -3.14 1.64 4.81 -1.26 -5.09 118.16 116.27 3e1b n LYS 4 Ca 0.01 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.50 3e1b n LYS 4 Cb 1.00 -0.37 -0.00 0.00 0.02 0.00 0.00 35.03 35.68 3e1b n LYS 4 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3e1b s SER 5 N -0.18 -1.11 0.00 3.14 0.15 -0.81 -5.04 113.70 109.86 3e1b s SER 5 Ca 0.00 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.72 3e1b s SER 5 Cb 0.00 1.67 0.00 0.00 -1.71 0.00 0.00 66.02 65.98 3e1b s SER 5 CO 0.00 -0.20 0.78 0.00 1.20 0.00 0.00 173.24 175.02 3e1b n ALA 6 N 5.18 0.76 -0.94 5.45 0.00 -1.26 -3.04 120.51 126.66 3e1b n ALA 6 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3e1b n ALA 6 Cb 0.56 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.31 3e1b n ALA 6 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3e1b n ARG 7 N -1.28 0.13 -1.69 0.00 0.63 -1.26 -4.99 116.66 108.21 3e1b n ARG 7 Ca 0.00 -0.44 -0.52 0.00 -0.92 0.00 0.00 57.85 55.97 3e1b n ARG 7 Cb 0.13 -0.53 -0.06 0.00 0.45 0.00 0.00 32.46 32.45 3e1b n ARG 7 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 3e1b n ILE 8 N -0.02 0.47 -0.04 5.15 3.06 -1.17 -1.98 119.36 124.82 3e1b n ILE 8 Ca 0.00 -0.09 0.00 0.00 -2.50 0.00 0.00 62.75 60.16 3e1b n ILE 8 Cb 0.43 -1.64 0.00 0.00 0.54 0.00 0.00 39.64 38.97 3e1b n ILE 8 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 3e1b n ARG 9 N 6.28 0.00 0.19 9.51 3.00 -1.26 -4.79 116.66 129.58 3e1b n ARG 9 Ca 0.25 0.00 0.03 0.00 -0.01 0.00 0.00 57.85 58.12 3e1b n ARG 9 Cb 0.23 -1.83 0.37 0.00 0.00 0.00 0.00 32.46 31.23 3e1b n ARG 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3e1b h ARG 10 N 0.00 0.00 0.00 5.56 3.08 -1.67 -2.73 114.38 118.62 3e1b h ARG 10 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3e1b h ARG 10 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3e1b h ARG 10 CO 0.00 0.37 -0.25 0.00 -1.07 0.00 0.00 179.97 179.01 3e1b h ALA 11 N 1.63 1.10 -3.00 0.04 0.00 -1.87 -1.95 119.26 115.21 3e1b h ALA 11 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3e1b h ALA 11 Cb 0.66 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3e1b h ALA 11 CO 0.05 0.32 0.00 0.25 0.00 0.00 0.00 179.25 179.87 3e1b n THR 12 N -3.54 0.00 0.42 0.00 -2.24 -1.17 -4.73 114.28 103.02 3e1b n THR 12 Ca -0.01 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 3e1b n THR 12 Cb 0.41 -0.38 0.48 0.00 -2.10 0.00 0.00 70.33 68.74 3e1b n THR 12 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 3e1b h ARG 13 N 0.00 0.00 -0.13 -0.78 0.11 -1.59 -2.25 114.38 109.74 3e1b h ARG 13 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3e1b h ARG 13 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3e1b h ARG 13 CO 0.00 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.07 3e1b n ALA 14 N -1.85 2.53 -1.52 0.08 0.00 -0.73 -4.43 120.51 114.59 3e1b n ALA 14 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3e1b n ALA 14 Cb 0.31 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3e1b n ALA 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3e1b n ARG 15 N -0.10 0.00 0.00 0.00 1.74 -1.08 -4.93 116.66 112.30 3e1b n ARG 15 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3e1b n ARG 15 Cb 0.19 -0.13 0.00 0.00 -1.02 0.00 0.00 32.46 31.50 3e1b n ARG 15 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3e1b n ARG 16 N 0.00 0.00 -1.45 5.56 1.85 -0.87 -4.87 116.66 116.88 3e1b n ARG 16 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 57.85 56.38 3e1b n ARG 16 Cb 0.21 -0.91 -0.08 0.00 -1.05 0.00 0.00 32.46 30.63 3e1b n ARG 16 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3e1b n LYS 17 N 0.64 0.77 -0.06 2.89 4.81 -1.26 -4.87 118.16 121.08 3e1b n LYS 17 Ca 0.00 0.16 -0.11 0.00 -0.87 0.00 0.00 58.31 57.49 3e1b n LYS 17 Cb 0.00 -2.36 -0.04 0.00 0.02 0.00 0.00 35.03 32.65 3e1b n LYS 17 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3e1b n LEU 18 N 10.77 1.09 0.00 3.14 4.77 -1.26 -4.97 117.00 130.54 3e1b n LEU 18 Ca 0.46 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 3e1b n LEU 18 Cb 0.22 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3e1b n LEU 18 CO 0.80 0.29 0.00 1.67 -1.33 0.00 0.00 177.39 178.82 3e1b n GLN 19 N -3.41 1.60 0.31 3.23 7.27 -1.26 -4.95 117.38 120.16 3e1b n GLN 19 Ca -0.22 0.00 0.20 0.00 0.07 0.00 0.00 57.00 57.06 3e1b n GLN 19 Cb 0.66 -0.13 1.02 0.00 2.41 0.00 0.00 30.24 34.20 3e1b n GLN 19 CO 0.00 0.00 0.00 1.05 0.07 0.00 0.00 177.06 178.18 3e1b h GLU 20 N 0.00 0.00 0.00 3.69 9.09 -1.97 -3.46 114.58 121.92 3e1b h GLU 20 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3e1b h GLU 20 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3e1b h GLU 20 CO 0.00 0.00 0.00 1.47 0.05 0.00 0.00 179.01 180.53 3e1b n LEU 21 N -3.01 0.87 0.00 3.06 -0.00 -1.26 -4.85 117.00 111.80 3e1b n LEU 21 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 3e1b n LEU 21 Cb 0.14 -1.38 0.00 0.00 -0.00 0.00 0.00 43.42 42.18 3e1b n LEU 21 CO 0.21 -0.47 0.00 0.61 -0.00 0.00 0.00 177.39 177.74 3e1b n GLY 22 N -1.78 1.45 3.00 1.47 0.00 -1.26 -4.45 105.19 103.61 3e1b n GLY 22 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 3e1b n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e1b s ALA 23 N -2.00 -0.09 -1.33 4.61 0.00 -1.26 -4.92 121.76 116.77 3e1b s ALA 23 Ca 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 51.96 51.65 3e1b s ALA 23 Cb 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 3e1b s ALA 23 CO 0.00 -0.13 2.46 0.25 0.00 0.00 0.00 175.76 178.34 3e1b n THR 24 N 2.08 3.39 0.90 0.00 -2.24 -1.26 -4.37 114.28 112.77 3e1b n THR 24 Ca -0.19 -2.35 -0.00 0.00 -2.27 0.00 0.00 64.05 59.23 3e1b n THR 24 Cb 0.57 -2.48 0.02 0.00 -2.10 0.00 0.00 70.33 66.33 3e1b n THR 24 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3e1b n ARG 25 N 4.85 1.16 -0.11 -0.78 3.00 -1.26 -3.05 116.66 120.46 3e1b n ARG 25 Ca 0.61 -0.16 0.00 0.00 -0.00 0.00 0.00 57.85 58.30 3e1b n ARG 25 Cb 0.28 -1.38 0.00 0.00 0.00 0.00 0.00 32.46 31.36 3e1b n ARG 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3e1b n LEU 26 N 0.16 0.22 0.00 6.15 4.77 -1.22 -3.51 117.00 123.57 3e1b n LEU 26 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3e1b n LEU 26 Cb 0.39 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3e1b n LEU 26 CO 0.02 -0.11 0.00 0.52 -1.33 0.00 0.00 177.39 176.49 3e1b n VAL 27 N -1.53 0.00 -1.44 4.08 0.31 -1.26 -2.17 118.33 116.33 3e1b n VAL 27 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 3e1b n VAL 27 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 3e1b n VAL 27 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 3e1b n VAL 28 N 0.00 -0.55 -3.92 2.52 3.14 -1.26 -4.88 118.33 113.38 3e1b n VAL 28 Ca 0.00 0.01 -0.34 0.00 -2.96 0.00 0.00 64.34 61.05 3e1b n VAL 28 Cb 0.00 -0.50 -0.14 0.00 -1.06 0.00 0.00 33.84 32.15 3e1b n VAL 28 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 3e1b s HIS 29 N -0.32 3.45 0.85 1.45 2.46 -1.26 -4.70 115.29 117.22 3e1b s HIS 29 Ca 0.05 -2.30 -0.13 0.00 0.47 0.00 0.00 55.06 53.15 3e1b s HIS 29 Cb -0.01 -2.52 0.11 0.00 -0.13 0.00 0.00 32.58 30.04 3e1b s HIS 29 CO 0.13 -0.89 1.21 -0.98 -2.47 0.00 0.00 174.74 171.74 3e1b s ARG 30 N 1.13 1.58 0.29 2.88 1.04 -1.26 -4.71 118.95 119.90 3e1b s ARG 30 Ca 0.01 -0.00 0.02 0.00 -1.04 0.00 0.00 55.73 54.72 3e1b s ARG 30 Cb -0.20 -1.92 -0.04 0.00 -2.04 0.00 0.00 34.95 30.75 3e1b s ARG 30 CO -0.04 -1.84 0.14 0.95 -0.04 0.00 0.00 175.30 174.47 3e1b s THR 31 N -3.63 0.36 -2.00 4.99 -4.23 -0.00 -4.72 115.64 106.40 3e1b s THR 31 Ca 0.65 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.37 3e1b s THR 31 Cb -0.09 -2.54 0.60 0.00 1.34 0.00 0.00 72.50 71.80 3e1b s THR 31 CO 0.50 0.00 1.65 -0.81 -0.54 0.00 0.00 174.62 175.42 3e1b n PRO 32 N -0.54 0.70 0.00 3.99 -0.04 -1.26 -3.46 135.00 134.39 3e1b n PRO 32 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 3e1b n PRO 32 Cb 0.65 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 3e1b n PRO 32 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3e1b n ARG 33 N -0.97 0.00 -4.05 0.54 1.85 -1.26 -5.10 116.66 107.67 3e1b n ARG 33 Ca 0.16 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.93 3e1b n ARG 33 Cb 0.07 -0.29 -0.10 0.00 -1.05 0.00 0.00 32.46 31.09 3e1b n ARG 33 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 3e1b s HIS 34 N 0.00 0.43 0.00 2.89 5.04 -1.23 -5.09 115.29 117.33 3e1b s HIS 34 Ca 0.00 -0.90 0.00 0.00 -1.54 0.00 0.00 55.06 52.62 3e1b s HIS 34 Cb 0.00 -0.32 0.00 0.00 0.04 0.00 0.00 32.58 32.30 3e1b s HIS 34 CO 0.00 -0.35 0.00 -0.89 -2.34 0.00 0.00 174.74 171.16 3e1b n ILE 35 N 0.43 0.00 0.00 0.89 5.41 -1.26 -0.82 119.36 124.00 3e1b n ILE 35 Ca -0.16 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.59 3e1b n ILE 35 Cb 0.60 -0.21 0.00 0.00 -0.71 0.00 0.00 39.64 39.32 3e1b n ILE 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3e1b n TYR 36 N -1.00 0.00 -3.21 1.39 -0.00 -1.26 -4.63 117.16 108.44 3e1b n TYR 36 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.90 57.53 3e1b n TYR 36 Cb 0.15 -0.84 -0.06 0.00 -0.00 0.00 0.00 39.34 38.59 3e1b n TYR 36 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3e1b s ALA 37 N -0.69 3.53 0.09 2.98 0.00 -1.26 -4.70 121.76 121.70 3e1b s ALA 37 Ca 0.00 0.07 -0.16 0.00 0.00 0.00 0.00 51.96 51.87 3e1b s ALA 37 Cb 0.00 -2.69 0.03 0.00 0.00 0.00 0.00 23.12 20.46 3e1b s ALA 37 CO 0.00 0.38 0.39 -0.65 0.00 0.00 0.00 175.76 175.88 3e1b s GLN 38 N -1.51 0.99 -1.18 0.00 -0.21 -0.92 -3.88 119.66 112.94 3e1b s GLN 38 Ca 0.35 -0.59 -0.21 0.00 0.02 0.00 0.00 55.36 54.93 3e1b s GLN 38 Cb -0.18 0.44 -0.05 0.00 1.00 0.00 0.00 33.01 34.21 3e1b s GLN 38 CO 0.20 -0.37 1.90 0.28 -2.12 0.00 0.00 175.29 175.18 3e1b n VAL 39 N 0.07 2.44 -2.30 1.09 0.31 -1.25 -3.94 118.33 114.75 3e1b n VAL 39 Ca -0.17 -2.49 -0.36 0.00 -0.01 0.00 0.00 64.34 61.31 3e1b n VAL 39 Cb 0.62 -2.24 -0.01 0.00 -0.91 0.00 0.00 33.84 31.30 3e1b n VAL 39 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 3e1b s ILE 40 N 8.55 3.23 0.56 2.52 2.07 -1.26 -4.61 121.20 132.27 3e1b s ILE 40 Ca 0.63 0.83 -0.20 0.00 -1.41 0.00 0.00 60.65 60.50 3e1b s ILE 40 Cb 0.03 -3.37 -0.05 0.00 0.13 0.00 0.00 42.46 39.19 3e1b s ILE 40 CO 0.11 -0.11 1.17 0.00 -1.91 0.00 0.00 174.94 174.20 3e1b n ALA 41 N -0.92 0.85 -1.73 1.50 0.00 -0.92 -4.57 120.51 114.73 3e1b n ALA 41 Ca 0.10 0.08 -0.29 0.00 0.00 0.00 0.00 53.44 53.33 3e1b n ALA 41 Cb 0.50 -2.23 0.11 0.00 0.00 0.00 0.00 19.45 17.83 3e1b n ALA 41 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3e1b s PRO 42 N -2.79 1.67 0.20 0.00 0.04 -1.26 -3.35 135.00 129.51 3e1b s PRO 42 Ca 0.73 0.23 -0.32 0.00 0.04 0.00 0.00 61.00 61.69 3e1b s PRO 42 Cb -0.43 -1.91 -0.14 0.00 0.04 0.00 0.00 34.50 32.06 3e1b s PRO 42 CO 0.48 -1.82 1.35 0.09 0.04 0.00 0.00 177.00 177.14 3e1b n ASN 43 N -3.50 2.30 0.00 6.66 5.03 -1.26 -0.38 115.26 124.12 3e1b n ASN 43 Ca 0.07 1.13 0.00 0.00 0.87 0.00 0.00 54.58 56.66 3e1b n ASN 43 Cb 0.60 -1.35 0.00 0.00 -1.02 0.00 0.00 39.78 38.01 3e1b n ASN 43 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3e1b n GLY 44 N 2.25 3.09 0.02 7.41 0.00 -1.26 -4.47 105.19 112.23 3e1b n GLY 44 Ca 0.13 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3e1b n GLY 44 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3e1b n SER 45 N 1.23 0.38 0.02 1.61 2.88 0.03 -4.87 113.62 114.89 3e1b n SER 45 Ca 0.00 -1.24 0.00 0.00 -1.33 0.00 0.00 58.87 56.30 3e1b n SER 45 Cb 0.00 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 3e1b n SER 45 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3e1b n GLU 46 N -0.10 0.00 0.00 -1.46 0.00 0.49 -3.01 120.64 116.56 3e1b n GLU 46 Ca 0.00 0.04 0.06 0.00 0.00 0.00 0.00 57.16 57.26 3e1b n GLU 46 Cb 0.47 -1.64 0.32 0.00 0.00 0.00 0.00 31.44 30.59 3e1b n GLU 46 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3e1b n VAL 47 N -0.88 0.35 -3.87 3.84 0.24 -1.26 -4.68 118.33 112.07 3e1b n VAL 47 Ca 0.00 0.09 -0.30 0.00 -2.04 0.00 0.00 64.34 62.09 3e1b n VAL 47 Cb 0.43 -0.90 -0.15 0.00 -1.47 0.00 0.00 33.84 31.75 3e1b n VAL 47 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3e1b s LEU 48 N -2.28 3.55 0.00 1.34 1.43 -1.16 -5.09 118.68 116.46 3e1b s LEU 48 Ca 0.14 -2.11 0.00 0.00 -1.03 0.00 0.00 54.13 51.14 3e1b s LEU 48 Cb 0.08 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 45.02 3e1b s LEU 48 CO 0.16 -0.37 0.00 1.33 0.23 0.00 0.00 176.35 177.70 3e1b n VAL 49 N 4.28 0.00 -0.17 -1.59 0.24 -1.26 -2.16 118.33 117.66 3e1b n VAL 49 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 3e1b n VAL 49 Cb 0.40 -1.37 0.00 0.00 -1.47 0.00 0.00 33.84 31.40 3e1b n VAL 49 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3e1b n ALA 50 N -3.00 0.00 0.00 2.33 0.00 -1.26 -4.99 120.51 113.58 3e1b n ALA 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3e1b n ALA 50 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3e1b n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1b n ALA 51 N 0.00 0.05 0.00 0.00 0.00 -1.26 -4.91 120.51 114.39 3e1b n ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3e1b n ALA 51 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3e1b n ALA 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3e1b n SER 52 N -0.14 0.00 0.31 0.00 7.64 -1.26 -1.29 113.62 118.88 3e1b n SER 52 Ca 0.00 0.00 0.19 0.00 1.01 0.00 0.00 58.87 60.07 3e1b n SER 52 Cb 0.00 0.00 0.98 0.00 -1.01 0.00 0.00 64.21 64.18 3e1b n SER 52 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3e1b h THR 53 N 0.00 0.12 0.00 0.44 1.35 -2.01 -3.41 112.91 109.41 3e1b h THR 53 Ca 0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 3e1b h THR 53 Cb 0.00 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 3e1b h THR 53 CO 0.00 0.02 0.00 0.55 -0.25 0.00 0.00 175.52 175.84 3e1b n VAL 54 N -3.22 0.00 0.00 6.82 3.14 -0.41 -4.82 118.33 119.84 3e1b n VAL 54 Ca -0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 3e1b n VAL 54 Cb 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.94 3e1b n VAL 54 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 3e1b n GLU 55 N -0.70 0.00 0.00 1.45 0.28 -1.26 -2.19 120.64 118.22 3e1b n GLU 55 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3e1b n GLU 55 Cb 0.00 -0.99 0.00 0.00 1.43 0.00 0.00 31.44 31.88 3e1b n GLU 55 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3e1b n LYS 56 N -0.29 0.87 -0.40 3.44 4.81 -1.21 0.02 118.16 125.41 3e1b n LYS 56 Ca 0.00 0.00 0.32 0.00 -0.87 0.00 0.00 58.31 57.76 3e1b n LYS 56 Cb 0.00 -0.56 0.62 0.00 0.02 0.00 0.00 35.03 35.10 3e1b n LYS 56 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3e1b h ALA 57 N 0.00 2.64 0.00 3.14 0.00 -1.76 -3.33 119.26 119.94 3e1b h ALA 57 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3e1b h ALA 57 Cb 0.12 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3e1b h ALA 57 CO 0.00 -1.15 -0.12 0.44 0.00 0.00 0.00 179.25 178.42 3e1b n ILE 58 N -4.58 0.00 -3.61 0.00 -5.35 -1.24 -5.09 119.36 99.50 3e1b n ILE 58 Ca 0.32 -0.03 -0.06 0.00 -0.27 0.00 0.00 62.75 62.71 3e1b n ILE 58 Cb 1.23 0.36 -0.04 0.00 -1.74 0.00 0.00 39.64 39.45 3e1b n ILE 58 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3e1b s ALA 59 N -0.29 -2.02 -0.06 -1.28 0.00 -1.25 -5.04 121.76 111.82 3e1b s ALA 59 Ca 0.00 1.71 -0.30 0.00 0.00 0.00 0.00 51.96 53.37 3e1b s ALA 59 Cb 0.00 -0.98 -0.08 0.00 0.00 0.00 0.00 23.12 22.06 3e1b s ALA 59 CO 0.00 -0.31 2.04 -0.85 0.00 0.00 0.00 175.76 176.64 3e1b n GLU 60 N 0.54 2.51 -1.38 0.00 0.28 -1.26 -2.43 120.64 118.89 3e1b n GLU 60 Ca -0.05 0.87 -0.13 0.00 -0.16 0.00 0.00 57.16 57.69 3e1b n GLU 60 Cb 0.58 -3.03 -0.06 0.00 1.43 0.00 0.00 31.44 30.37 3e1b n GLU 60 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3e1b n GLN 61 N 7.81 -1.66 -3.11 3.44 3.00 0.10 -2.42 117.38 124.55 3e1b n GLN 61 Ca 0.24 0.96 -0.16 0.00 -0.01 0.00 0.00 57.00 58.03 3e1b n GLN 61 Cb 0.40 -5.39 0.02 0.00 0.00 0.00 0.00 30.24 25.27 3e1b n GLN 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3e1b n LEU 62 N -1.49 -5.36 0.00 1.08 7.94 -1.02 -4.74 117.00 113.40 3e1b n LEU 62 Ca -0.13 0.43 0.00 0.00 -1.11 0.00 0.00 56.01 55.20 3e1b n LEU 62 Cb 0.62 -2.47 0.00 0.00 0.53 0.00 0.00 43.42 42.10 3e1b n LEU 62 CO 0.20 -1.56 0.30 2.29 -1.11 0.00 0.00 177.39 177.52 3e1b n LYS 63 N 0.20 0.00 -1.84 1.96 2.85 -1.01 -4.75 118.16 115.56 3e1b n LYS 63 Ca 0.01 0.12 -0.36 0.00 -1.05 0.00 0.00 58.31 57.03 3e1b n LYS 63 Cb 0.46 -1.51 0.05 0.00 -0.65 0.00 0.00 35.03 33.39 3e1b n LYS 63 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3e1b s TYR 64 N -2.20 2.25 0.60 5.58 4.12 -1.26 -5.06 117.35 121.37 3e1b s TYR 64 Ca 0.00 1.52 -0.07 0.00 0.02 0.00 0.00 57.07 58.54 3e1b s TYR 64 Cb 0.00 -3.54 0.00 0.00 -1.52 0.00 0.00 41.96 36.91 3e1b s TYR 64 CO 0.00 -2.48 0.92 0.95 0.02 0.00 0.00 175.55 174.96 3e1b s THR 65 N -1.61 3.77 0.00 -0.71 -4.23 -1.26 -5.04 115.64 106.56 3e1b s THR 65 Ca 0.78 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 3e1b s THR 65 Cb -0.32 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.02 3e1b s THR 65 CO 0.37 -0.54 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 3e1b n GLY 66 N -2.61 0.20 2.40 3.99 0.00 -1.26 -4.76 105.19 103.16 3e1b n GLY 66 Ca 0.04 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 3e1b n GLY 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3e1b s ASN 67 N -4.00 1.49 0.35 1.61 2.47 -1.26 -5.07 114.94 110.53 3e1b s ASN 67 Ca 0.00 -3.08 0.04 0.00 0.42 0.00 0.00 52.86 50.24 3e1b s ASN 67 Cb 0.00 -0.46 -0.04 0.00 -1.45 0.00 0.00 41.25 39.31 3e1b s ASN 67 CO 0.00 -0.17 0.13 -0.54 -3.72 0.00 0.00 177.10 172.80 3e1b s LYS 68 N 0.04 1.75 0.39 0.43 1.02 -1.26 -5.03 119.74 117.07 3e1b s LYS 68 Ca 0.33 -2.03 0.25 0.00 0.02 0.00 0.00 55.97 54.53 3e1b s LYS 68 Cb 0.04 -0.47 1.36 0.00 -0.52 0.00 0.00 37.83 38.24 3e1b s LYS 68 CO -0.20 -0.41 1.53 -0.40 -0.92 0.00 0.00 175.35 174.95 3e1b n ASP 69 N -1.05 0.29 0.06 2.83 5.68 -1.26 -1.91 116.55 121.18 3e1b n ASP 69 Ca -0.03 1.51 0.19 0.00 -0.50 0.00 0.00 54.79 55.97 3e1b n ASP 69 Cb 0.65 -0.74 0.54 0.00 -1.14 0.00 0.00 41.12 40.44 3e1b n ASP 69 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3e1b h ALA 70 N 1.79 2.27 -0.00 2.12 0.00 -1.96 -2.40 119.26 121.08 3e1b h ALA 70 Ca 0.84 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.73 3e1b h ALA 70 Cb 2.40 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.23 3e1b h ALA 70 CO -0.63 -1.04 -0.47 0.00 0.00 0.00 0.00 179.25 177.11 3e1b n ALA 71 N -2.11 3.48 -0.05 0.00 0.00 -0.80 -4.76 120.51 116.27 3e1b n ALA 71 Ca 0.10 -0.35 -0.05 0.00 0.00 0.00 0.00 53.44 53.15 3e1b n ALA 71 Cb 0.96 -1.13 -0.14 0.00 0.00 0.00 0.00 19.45 19.13 3e1b n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1b n ALA 72 N -1.43 1.78 1.21 0.00 0.00 -0.91 -4.42 120.51 116.74 3e1b n ALA 72 Ca 0.06 -0.96 0.13 0.00 0.00 0.00 0.00 53.44 52.67 3e1b n ALA 72 Cb 0.34 -0.53 0.29 0.00 0.00 0.00 0.00 19.45 19.54 3e1b n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1b n ALA 73 N -2.57 3.02 -0.30 0.00 0.00 -1.26 -4.60 120.51 114.79 3e1b n ALA 73 Ca -0.21 -0.50 0.10 0.00 0.00 0.00 0.00 53.44 52.82 3e1b n ALA 73 Cb 0.99 -1.02 0.22 0.00 0.00 0.00 0.00 19.45 19.64 3e1b n ALA 73 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3e1b h VAL 74 N 2.14 0.18 -0.04 0.00 -1.51 -1.91 -3.20 116.25 111.91 3e1b h VAL 74 Ca 0.00 -0.02 0.01 0.00 -1.23 0.00 0.00 66.70 65.46 3e1b h VAL 74 Cb 0.62 0.11 -0.00 0.00 -2.13 0.00 0.00 31.29 29.89 3e1b h VAL 74 CO 0.00 0.01 0.07 1.23 -1.23 0.00 0.00 177.57 177.65 3e1b h GLY 75 N 0.07 0.00 0.13 5.19 0.00 -1.81 -3.34 103.07 103.30 3e1b h GLY 75 Ca 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.83 3e1b h GLY 75 CO -0.80 0.00 -0.06 1.70 0.00 0.00 0.00 176.54 177.38 3e1b h LYS 76 N 0.00 -0.17 -0.98 4.80 3.64 -1.77 -2.90 116.57 119.19 3e1b h LYS 76 Ca 0.02 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.50 3e1b h LYS 76 Cb 0.16 0.04 -0.12 0.00 -0.41 0.00 0.00 32.23 31.90 3e1b h LYS 76 CO -0.00 -0.12 -0.58 0.00 -2.27 0.00 0.00 179.45 176.49 3e1b n ALA 77 N -2.27 -0.63 -0.09 5.00 0.00 -1.25 -1.13 120.51 120.13 3e1b n ALA 77 Ca -0.02 0.83 -0.08 0.00 0.00 0.00 0.00 53.44 54.16 3e1b n ALA 77 Cb 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 19.45 19.38 3e1b n ALA 77 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3e1b h VAL 78 N 0.00 1.05 -0.50 0.00 3.04 -1.73 -3.18 116.25 114.93 3e1b h VAL 78 Ca 0.16 -0.14 -0.11 0.00 -1.01 0.00 0.00 66.70 65.60 3e1b h VAL 78 Cb 0.40 0.62 -0.02 0.00 -2.01 0.00 0.00 31.29 30.29 3e1b h VAL 78 CO -0.92 0.07 -0.13 0.00 -1.01 0.00 0.00 177.57 175.58 3e1b h ALA 79 N 1.13 0.69 0.00 3.17 0.00 -1.20 -2.93 119.26 120.13 3e1b h ALA 79 Ca 0.12 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3e1b h ALA 79 Cb -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3e1b h ALA 79 CO -0.05 0.62 0.00 0.39 0.00 0.00 0.00 179.25 180.21 3e1b n GLU 80 N -4.18 0.04 0.21 0.00 1.02 -0.29 -2.00 120.64 115.46 3e1b n GLU 80 Ca 0.01 0.54 -0.09 0.00 -0.02 0.00 0.00 57.16 57.60 3e1b n GLU 80 Cb 0.41 -1.64 -0.04 0.00 -0.02 0.00 0.00 31.44 30.15 3e1b n GLU 80 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3e1b h ARG 81 N 0.00 -0.54 -0.29 3.49 -0.00 -1.54 -3.01 114.38 112.49 3e1b h ARG 81 Ca 0.00 0.04 -0.00 0.00 -0.50 0.00 0.00 59.98 59.52 3e1b h ARG 81 Cb 0.01 0.12 -0.01 0.00 0.00 0.00 0.00 29.97 30.09 3e1b h ARG 81 CO 0.00 -0.36 0.18 0.00 0.00 0.00 0.00 179.97 179.78 3e1b h ALA 82 N -1.53 1.77 -0.39 0.04 0.00 -1.68 -3.27 119.26 114.20 3e1b h ALA 82 Ca -0.06 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3e1b h ALA 82 Cb 0.43 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 3e1b h ALA 82 CO 0.09 0.20 0.04 1.28 0.00 0.00 0.00 179.25 180.87 3e1b n LEU 83 N -4.48 4.44 -0.23 0.00 4.77 -0.85 -4.87 117.00 115.78 3e1b n LEU 83 Ca 0.01 -3.26 0.03 0.00 -0.03 0.00 0.00 56.01 52.77 3e1b n LEU 83 Cb 0.08 -0.61 0.15 0.00 -2.33 0.00 0.00 43.42 40.70 3e1b n LEU 83 CO 0.35 0.85 0.96 1.05 -1.33 0.00 0.00 177.39 179.27 3e1b h GLU 84 N 1.79 0.34 0.00 3.23 9.09 -1.58 0.42 114.58 127.86 3e1b h GLU 84 Ca 0.12 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.51 3e1b h GLU 84 Cb 1.70 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 28.72 3e1b h GLU 84 CO 0.38 0.22 0.08 1.17 0.05 0.00 0.00 179.01 180.91 3e1b n LYS 85 N -5.07 0.07 -0.24 1.06 4.81 -1.26 -2.65 118.16 114.88 3e1b n LYS 85 Ca 0.11 0.54 0.11 0.00 -0.87 0.00 0.00 58.31 58.21 3e1b n LYS 85 Cb 0.37 -1.82 0.26 0.00 0.02 0.00 0.00 35.03 33.86 3e1b n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3e1b n GLY 86 N -1.35 1.81 0.00 3.14 0.00 0.14 -4.36 105.19 104.56 3e1b n GLY 86 Ca -0.01 -0.72 0.08 0.00 0.00 0.00 0.00 46.02 45.37 3e1b n GLY 86 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3e1b n ILE 87 N 1.42 0.82 1.37 -0.61 -5.35 -1.08 -4.25 119.36 111.68 3e1b n ILE 87 Ca 0.21 0.20 0.07 0.00 -0.27 0.00 0.00 62.75 62.96 3e1b n ILE 87 Cb 0.58 -0.91 0.44 0.00 -1.74 0.00 0.00 39.64 38.01 3e1b n ILE 87 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3e1b n LYS 88 N -1.49 0.69 -4.35 6.28 5.02 -1.26 -4.63 118.16 118.42 3e1b n LYS 88 Ca 0.04 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.09 3e1b n LYS 88 Cb 0.20 -1.34 -0.12 0.00 -0.02 0.00 0.00 35.03 33.75 3e1b n LYS 88 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3e1b s ASP 89 N -1.78 2.88 -0.95 4.39 1.01 -1.26 -4.60 116.67 116.36 3e1b s ASP 89 Ca 0.22 -0.81 -0.23 0.00 0.71 0.00 0.00 52.55 52.44 3e1b s ASP 89 Cb 0.10 -0.18 0.06 0.00 1.01 0.00 0.00 42.92 43.91 3e1b s ASP 89 CO 0.17 0.04 1.35 -0.69 0.21 0.00 0.00 175.17 176.25 3e1b s VAL 90 N -1.66 4.04 -0.40 -1.27 1.01 -1.26 -4.79 120.40 116.08 3e1b s VAL 90 Ca 0.14 -0.70 -0.27 0.00 0.00 0.00 0.00 61.98 61.15 3e1b s VAL 90 Cb -0.08 -4.98 -0.04 0.00 0.00 0.00 0.00 36.38 31.29 3e1b s VAL 90 CO 0.07 -1.83 2.08 -0.44 0.00 0.00 0.00 175.10 174.98 3e1b s SER 91 N 4.51 5.27 0.15 3.32 0.01 -1.26 -4.80 113.70 120.90 3e1b s SER 91 Ca 0.41 1.22 -0.11 0.00 1.31 0.00 0.00 55.95 58.78 3e1b s SER 91 Cb -0.03 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.69 3e1b s SER 91 CO -0.05 -2.21 0.31 0.12 0.41 0.00 0.00 173.24 171.81 3e1b s PHE 92 N 9.09 0.22 0.37 2.43 5.36 -1.17 -4.92 117.98 129.36 3e1b s PHE 92 Ca 0.88 -0.59 -0.26 0.00 -0.96 0.00 0.00 56.93 55.99 3e1b s PHE 92 Cb -0.22 0.03 -0.11 0.00 -0.34 0.00 0.00 43.02 42.38 3e1b s PHE 92 CO 0.30 -0.71 1.15 -3.47 -1.46 0.00 0.00 175.22 171.03 3e1b n ASP 93 N -0.20 2.00 0.00 6.13 2.03 -1.26 -3.39 116.55 121.86 3e1b n ASP 93 Ca -0.10 1.13 0.06 0.00 0.52 0.00 0.00 54.79 56.39 3e1b n ASP 93 Cb 0.63 -1.41 0.33 0.00 -0.72 0.00 0.00 41.12 39.95 3e1b n ASP 93 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 3e1b n ARG 94 N 0.34 0.52 -3.50 -0.67 0.63 -1.23 -4.93 116.66 107.82 3e1b n ARG 94 Ca 0.07 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.79 3e1b n ARG 94 Cb 0.37 -1.33 0.05 0.00 0.45 0.00 0.00 32.46 32.00 3e1b n ARG 94 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3e1b n SER 95 N -0.83 -4.52 -0.01 6.15 7.64 -1.26 -4.33 113.62 116.46 3e1b n SER 95 Ca 0.08 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 59.14 3e1b n SER 95 Cb 0.04 -4.37 0.00 0.00 -1.01 0.00 0.00 64.21 58.86 3e1b n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3e1b n GLY 96 N -1.44 -2.84 3.51 0.23 0.00 -1.26 -1.94 105.19 101.45 3e1b n GLY 96 Ca -0.15 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 3e1b n GLY 96 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3e1b s PHE 97 N -0.02 0.49 0.58 1.61 5.36 -1.26 -4.66 117.98 120.08 3e1b s PHE 97 Ca 0.00 -0.83 -0.14 0.00 -0.96 0.00 0.00 56.93 55.00 3e1b s PHE 97 Cb 0.00 0.05 -0.05 0.00 -0.34 0.00 0.00 43.02 42.68 3e1b s PHE 97 CO 0.00 -0.92 1.02 -0.65 -1.46 0.00 0.00 175.22 173.22 3e1b s GLN 98 N -4.04 3.58 -0.32 10.12 -0.21 -1.26 -5.05 119.66 122.48 3e1b s GLN 98 Ca 0.25 0.98 -0.08 0.00 0.02 0.00 0.00 55.36 56.52 3e1b s GLN 98 Cb 0.01 -2.08 0.02 0.00 1.00 0.00 0.00 33.01 31.96 3e1b s GLN 98 CO 0.09 -0.58 0.12 0.71 -2.12 0.00 0.00 175.29 173.50 3e1b s TYR 99 N -2.75 3.19 0.26 0.91 1.51 -1.26 -5.07 117.35 114.13 3e1b s TYR 99 Ca 0.59 -0.99 0.02 0.00 -1.01 0.00 0.00 57.07 55.69 3e1b s TYR 99 Cb -0.12 -2.31 -0.03 0.00 -0.11 0.00 0.00 41.96 39.39 3e1b s TYR 99 CO 0.41 -0.60 0.21 -1.01 -1.11 0.00 0.00 175.55 173.45 3e1b s HIS 100 N 1.51 1.41 0.31 2.71 3.76 -1.26 -5.00 115.29 118.72 3e1b s HIS 100 Ca 0.02 -1.49 0.02 0.00 -0.15 0.00 0.00 55.06 53.46 3e1b s HIS 100 Cb -0.18 -0.60 0.76 0.00 1.11 0.00 0.00 32.58 33.67 3e1b s HIS 100 CO 0.04 -0.76 1.55 0.41 -0.85 0.00 0.00 174.74 175.13 3e1b n GLY 101 N -0.43 -1.34 0.00 -2.22 0.00 -1.26 -2.74 105.19 97.20 3e1b n GLY 101 Ca 0.04 0.97 0.16 0.00 0.00 0.00 0.00 46.02 47.19 3e1b n GLY 101 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3e1b n ARG 102 N -5.48 0.87 0.00 1.61 0.63 -1.26 -2.15 116.66 110.88 3e1b n ARG 102 Ca 0.23 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 3e1b n ARG 102 Cb 0.77 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 32.18 3e1b n ARG 102 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 3e1b n VAL 103 N -1.06 0.00 -0.05 5.15 0.24 -1.14 -4.79 118.33 116.68 3e1b n VAL 103 Ca 0.22 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.40 3e1b n VAL 103 Cb 0.13 -0.03 -0.10 0.00 -1.47 0.00 0.00 33.84 32.37 3e1b n VAL 103 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 3e1b h GLN 104 N 0.00 -0.02 0.00 7.34 4.15 -1.45 -3.17 115.11 121.96 3e1b h GLN 104 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3e1b h GLN 104 Cb 0.29 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.99 3e1b h GLN 104 CO 0.00 0.73 0.17 0.00 -1.93 0.00 0.00 178.83 177.80 3e1b h ALA 105 N -0.11 1.12 -0.27 3.38 0.00 -1.70 -1.86 119.26 119.82 3e1b h ALA 105 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3e1b h ALA 105 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3e1b h ALA 105 CO 0.00 -0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.42 3e1b n LEU 106 N -2.26 2.40 -0.07 0.00 7.99 -1.20 -4.41 117.00 119.45 3e1b n LEU 106 Ca -0.01 -1.03 -0.07 0.00 -0.01 0.00 0.00 56.01 54.89 3e1b n LEU 106 Cb 0.20 -0.17 -0.01 0.00 -0.11 0.00 0.00 43.42 43.33 3e1b n LEU 106 CO 0.09 0.51 0.83 0.00 -1.51 0.00 0.00 177.39 177.31 3e1b h ALA 107 N 4.22 0.21 0.00 -1.18 0.00 -1.45 -2.26 119.26 118.79 3e1b h ALA 107 Ca 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3e1b h ALA 107 Cb 0.69 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3e1b h ALA 107 CO 0.00 -0.45 -0.30 -0.44 0.00 0.00 0.00 179.25 178.06 3e1b h ASP 108 N 0.03 0.00 -0.31 0.00 5.19 -1.84 -3.33 116.42 116.16 3e1b h ASP 108 Ca 0.14 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.48 3e1b h ASP 108 Cb 0.20 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 3e1b h ASP 108 CO -0.27 0.30 -0.02 0.00 -3.12 0.00 0.00 179.24 176.13 3e1b h ALA 109 N 1.70 1.20 0.00 3.45 0.00 -1.64 -0.21 119.26 123.76 3e1b h ALA 109 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3e1b h ALA 109 Cb 1.23 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3e1b h ALA 109 CO 0.04 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.81 3e1b n ALA 110 N -2.48 1.94 0.00 0.00 0.00 -1.08 -4.65 120.51 114.25 3e1b n ALA 110 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3e1b n ALA 110 Cb 0.29 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3e1b n ALA 110 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3e1b n ARG 111 N -2.24 1.77 0.17 0.00 0.63 -0.12 -4.77 116.66 112.10 3e1b n ARG 111 Ca 0.04 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 57.03 3e1b n ARG 111 Cb 0.32 -0.89 0.33 0.00 0.45 0.00 0.00 32.46 32.67 3e1b n ARG 111 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3e1b h GLU 112 N 0.00 0.00 0.00 -0.14 4.22 -1.74 -1.73 114.58 115.19 3e1b h GLU 112 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3e1b h GLU 112 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3e1b h GLU 112 CO 0.00 0.00 -1.29 0.00 -2.18 0.00 0.00 179.01 175.54 3e1b n ALA 113 N -1.54 3.12 0.00 2.92 0.00 -1.26 -5.09 120.51 118.66 3e1b n ALA 113 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3e1b n ALA 113 Cb 0.37 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3e1b n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e1b n GLY 114 N 1.30 3.03 3.93 0.00 0.00 -0.65 -5.11 105.19 107.68 3e1b n GLY 114 Ca -0.00 -1.57 -0.25 0.00 0.00 0.00 0.00 46.02 44.20 3e1b n GLY 114 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3e1b s LEU 115 N 0.00 3.76 -0.39 0.99 1.43 -1.26 -5.02 118.68 118.20 3e1b s LEU 115 Ca 0.00 0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 53.58 3e1b s LEU 115 Cb 0.00 -3.50 0.02 0.00 0.03 0.00 0.00 46.19 42.74 3e1b s LEU 115 CO 0.00 -0.52 0.25 -1.10 0.23 0.00 0.00 176.35 175.21 3e1b s GLN 116 N -4.55 2.95 0.00 1.70 -1.52 -1.26 -5.14 119.66 111.84 3e1b s GLN 116 Ca 0.45 -1.02 0.14 0.00 -1.95 0.00 0.00 55.36 52.98 3e1b s GLN 116 Cb -0.10 -3.84 0.11 0.00 -0.22 0.00 0.00 33.01 28.95 3e1b s GLN 116 CO 0.40 -0.70 0.93 1.19 -0.25 0.00 0.00 175.29 176.86