#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4b s SER 2 N 0.00 -0.28 0.45 1.61 0.15 -1.26 -5.15 113.70 109.21 1x4b s SER 2 Ca 0.00 0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1x4b s SER 2 Cb 0.00 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1x4b s SER 2 CO 0.00 -0.29 0.00 -0.24 1.20 0.00 0.00 173.24 173.91 1x4b n SER 3 N 0.57 -6.22 -3.51 5.45 2.88 -1.26 -5.08 113.62 106.46 1x4b n SER 3 Ca -0.07 1.33 -0.09 0.00 -1.33 0.00 0.00 58.87 58.71 1x4b n SER 3 Cb 0.58 -3.59 -0.02 0.00 -0.75 0.00 0.00 64.21 60.44 1x4b n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x4b s GLY 4 N -5.19 -0.48 -0.03 0.46 0.00 -1.26 -5.19 107.32 95.64 1x4b s GLY 4 Ca 0.00 0.69 -0.30 0.00 0.00 0.00 0.00 44.72 45.11 1x4b s GLY 4 CO 0.00 0.23 1.16 -0.56 0.00 0.00 0.00 173.10 173.93 1x4b s SER 5 N -2.64 -0.14 0.19 1.64 0.01 -1.26 -5.10 113.70 106.41 1x4b s SER 5 Ca 0.04 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1x4b s SER 5 Cb -0.01 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.46 1x4b s SER 5 CO -0.09 -0.43 0.00 -1.20 0.41 0.00 0.00 173.24 171.93 1x4b n SER 6 N -0.35 0.49 -2.07 2.44 7.64 -1.26 -5.14 113.62 115.37 1x4b n SER 6 Ca -0.06 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1x4b n SER 6 Cb 0.61 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1x4b n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4b n GLY 7 N 2.56 -5.38 4.00 0.23 0.00 -1.26 -5.03 105.19 100.30 1x4b n GLY 7 Ca 0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 1x4b n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x4b s MET 8 N -0.83 2.75 -0.39 1.61 1.00 -1.26 -5.09 119.30 117.09 1x4b s MET 8 Ca 0.00 -1.06 0.01 0.00 0.00 0.00 0.00 55.69 54.63 1x4b s MET 8 Cb 0.00 -2.67 0.13 0.00 0.00 0.00 0.00 34.83 32.29 1x4b s MET 8 CO 0.00 -0.40 0.19 -1.21 0.00 0.00 0.00 175.02 173.60 1x4b s GLU 9 N -4.48 1.00 -0.36 2.03 8.01 -1.26 -4.98 118.70 118.65 1x4b s GLU 9 Ca 0.55 -1.62 -0.05 0.00 0.01 0.00 0.00 54.97 53.86 1x4b s GLU 9 Cb -0.10 -2.07 0.21 0.00 -4.31 0.00 0.00 34.13 27.86 1x4b s GLU 9 CO 0.35 -1.12 1.04 0.21 0.01 0.00 0.00 175.26 175.75 1x4b s LYS 10 N 0.85 0.32 -0.50 1.61 2.36 -1.26 -5.06 119.74 118.06 1x4b s LYS 10 Ca 0.15 -0.29 0.08 0.00 -2.55 0.00 0.00 55.97 53.36 1x4b s LYS 10 Cb -0.22 -0.01 0.34 0.00 -1.05 0.00 0.00 37.83 36.90 1x4b s LYS 10 CO -0.07 -0.41 0.87 0.25 1.55 0.00 0.00 175.35 177.54 1x4b n THR 11 N 2.84 1.86 -1.31 3.43 -2.24 -1.26 -5.09 114.28 112.50 1x4b n THR 11 Ca 0.11 -5.21 0.16 0.00 -2.27 0.00 0.00 64.05 56.85 1x4b n THR 11 Cb 0.63 -0.97 -0.06 0.00 -2.10 0.00 0.00 70.33 67.84 1x4b n THR 11 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1x4b n LEU 12 N -0.05 -0.73 -4.88 3.22 4.32 -1.26 -4.94 117.00 112.68 1x4b n LEU 12 Ca 0.29 1.65 -0.24 0.00 -0.02 0.00 0.00 56.01 57.69 1x4b n LEU 12 Cb 0.49 -4.19 -0.02 0.00 -1.62 0.00 0.00 43.42 38.09 1x4b n LEU 12 CO 0.29 -2.83 0.02 -1.61 -1.22 0.00 0.00 177.39 172.05 1x4b s GLU 13 N -2.95 2.34 -0.90 3.23 8.01 -1.26 -5.03 118.70 122.14 1x4b s GLU 13 Ca 0.00 -1.82 -0.02 0.00 0.01 0.00 0.00 54.97 53.14 1x4b s GLU 13 Cb 0.00 -2.20 0.34 0.00 -4.31 0.00 0.00 34.13 27.96 1x4b s GLU 13 CO 0.00 -0.43 1.97 -2.37 0.01 0.00 0.00 175.26 174.44 1x4b n THR 14 N -1.65 4.30 -1.28 3.63 5.66 -1.26 -5.01 114.28 118.66 1x4b n THR 14 Ca 0.01 -4.77 0.14 0.00 -3.05 0.00 0.00 64.05 56.38 1x4b n THR 14 Cb 0.63 -1.33 -0.08 0.00 -1.55 0.00 0.00 70.33 68.01 1x4b n THR 14 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1x4b n VAL 15 N -0.41 -0.81 -0.03 1.08 0.24 -1.26 -4.70 118.33 112.45 1x4b n VAL 15 Ca 0.52 0.80 -0.15 0.00 -2.04 0.00 0.00 64.34 63.46 1x4b n VAL 15 Cb 0.24 -1.20 -0.11 0.00 -1.47 0.00 0.00 33.84 31.30 1x4b n VAL 15 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1x4b h PRO 16 N -1.35 0.21 -1.72 7.34 0.13 -2.04 -3.48 132.00 131.09 1x4b h PRO 16 Ca -0.16 -0.21 0.03 0.00 -0.87 0.00 0.00 66.00 64.79 1x4b h PRO 16 Cb 1.12 0.05 -0.22 0.00 0.13 0.00 0.00 31.00 32.09 1x4b h PRO 16 CO 0.06 0.91 0.41 -1.17 -0.23 0.00 0.00 178.00 177.98 1x4b s LEU 17 N -8.57 -0.48 0.00 1.56 2.96 -1.26 -4.58 118.68 108.30 1x4b s LEU 17 Ca -0.15 0.56 0.00 0.00 -0.22 0.00 0.00 54.13 54.32 1x4b s LEU 17 Cb 0.02 2.11 0.00 0.00 0.50 0.00 0.00 46.19 48.82 1x4b s LEU 17 CO 0.75 -0.42 0.00 1.21 -1.32 0.00 0.00 176.35 176.57 1x4b n GLU 18 N 0.92 0.00 -2.52 1.98 4.07 -1.26 -5.08 120.64 118.75 1x4b n GLU 18 Ca -0.13 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 56.94 1x4b n GLU 18 Cb 0.57 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.96 1x4b n GLU 18 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1x4b n ARG 19 N -0.04 -2.42 -1.48 5.31 1.74 -1.26 -4.86 116.66 113.65 1x4b n ARG 19 Ca 0.00 2.11 0.19 0.00 -0.77 0.00 0.00 57.85 59.38 1x4b n ARG 19 Cb 0.00 -4.66 -0.08 0.00 -1.02 0.00 0.00 32.46 26.70 1x4b n ARG 19 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1x4b n LYS 20 N 0.17 -3.26 -3.56 5.56 4.76 -1.26 -4.81 118.16 115.76 1x4b n LYS 20 Ca 0.04 2.49 -0.38 0.00 -2.87 0.00 0.00 58.31 57.60 1x4b n LYS 20 Cb 0.16 -3.87 -0.06 0.00 -1.84 0.00 0.00 35.03 29.42 1x4b n LYS 20 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1x4b s LYS 21 N -3.52 3.84 0.00 1.97 -2.85 -1.26 -4.81 119.74 113.11 1x4b s LYS 21 Ca 0.00 0.32 0.00 0.00 -1.00 0.00 0.00 55.97 55.29 1x4b s LYS 21 Cb 0.00 -3.20 0.00 0.00 -2.06 0.00 0.00 37.83 32.57 1x4b s LYS 21 CO 0.00 0.70 0.00 -2.13 0.10 0.00 0.00 175.35 174.02 1x4b n ARG 22 N 1.77 0.00 -0.04 1.78 0.63 -1.26 -4.95 116.66 114.58 1x4b n ARG 22 Ca -0.14 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.66 1x4b n ARG 22 Cb 0.53 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.36 1x4b n ARG 22 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1x4b h GLU 23 N 0.00 0.27 0.00 -0.14 5.08 -1.90 -2.06 114.58 115.84 1x4b h GLU 23 Ca 0.00 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1x4b h GLU 23 Cb 0.00 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1x4b h GLU 23 CO 0.00 0.68 -0.00 0.87 -1.00 0.00 0.00 179.01 179.56 1x4b h LYS 24 N -0.14 0.00 0.13 2.33 6.56 -1.94 0.40 116.57 123.92 1x4b h LYS 24 Ca 0.02 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.60 1x4b h LYS 24 Cb 0.64 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.30 1x4b h LYS 24 CO 0.03 0.00 -0.06 1.49 -2.06 0.00 0.00 179.45 178.85 1x4b h GLU 25 N 0.00 -0.17 0.00 3.15 4.81 -1.85 -2.84 114.58 117.68 1x4b h GLU 25 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1x4b h GLU 25 Cb 0.04 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1x4b h GLU 25 CO 0.00 0.05 0.00 0.00 -0.73 0.00 0.00 179.01 178.33 1x4b n GLN 26 N -4.88 0.07 0.04 1.92 10.64 -0.80 0.01 117.38 124.38 1x4b n GLN 26 Ca -0.04 0.20 -0.20 0.00 -1.83 0.00 0.00 57.00 55.13 1x4b n GLN 26 Cb 0.15 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 27.88 1x4b n GLN 26 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.06 175.97 1x4b h PHE 27 N 0.00 0.52 0.00 2.61 -1.00 -0.26 -3.34 116.94 115.47 1x4b h PHE 27 Ca 0.00 -0.38 0.00 0.00 2.81 0.00 0.00 57.97 60.40 1x4b h PHE 27 Cb 0.23 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.77 1x4b h PHE 27 CO 0.00 1.36 -0.80 0.54 -1.61 0.00 0.00 178.31 177.80 1x4b n ARG 28 N -4.09 0.01 -2.91 1.51 1.74 -1.07 -4.83 116.66 107.01 1x4b n ARG 28 Ca -0.16 -0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.49 1x4b n ARG 28 Cb 0.83 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.73 1x4b n ARG 28 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1x4b s LYS 29 N -3.00 3.74 -0.13 5.56 2.20 0.10 -3.16 119.74 125.04 1x4b s LYS 29 Ca 0.09 0.34 -0.04 0.00 -0.36 0.00 0.00 55.97 56.00 1x4b s LYS 29 Cb 0.17 -3.82 -0.03 0.00 -1.51 0.00 0.00 37.83 32.63 1x4b s LYS 29 CO 0.80 -0.92 0.01 -0.51 -0.36 0.00 0.00 175.35 174.37 1x4b s LEU 30 N 3.25 3.58 -0.44 5.43 1.02 -0.75 -4.13 118.68 126.64 1x4b s LEU 30 Ca 0.33 0.06 -0.18 0.00 0.02 0.00 0.00 54.13 54.37 1x4b s LEU 30 Cb -0.13 -1.86 0.03 0.00 0.02 0.00 0.00 46.19 44.26 1x4b s LEU 30 CO 0.18 0.26 0.47 0.12 0.02 0.00 0.00 176.35 177.41 1x4b s PHE 31 N -0.18 3.15 -0.16 0.29 2.19 0.98 0.25 117.98 124.51 1x4b s PHE 31 Ca 0.05 -0.44 -0.27 0.00 0.33 0.00 0.00 56.93 56.60 1x4b s PHE 31 Cb -0.12 -3.04 -0.01 0.00 -1.31 0.00 0.00 43.02 38.54 1x4b s PHE 31 CO 0.02 -0.77 0.91 0.42 1.83 0.00 0.00 175.22 177.63 1x4b s ILE 32 N 2.20 4.82 -0.10 3.12 -1.09 0.12 0.45 121.20 130.72 1x4b s ILE 32 Ca 0.12 1.82 -0.00 0.00 -2.23 0.00 0.00 60.65 60.36 1x4b s ILE 32 Cb -0.18 -4.22 -0.03 0.00 -1.58 0.00 0.00 42.46 36.46 1x4b s ILE 32 CO 0.13 -0.01 -0.08 -0.83 -1.23 0.00 0.00 174.94 172.92 1x4b s GLY 33 N 1.14 1.65 0.00 6.18 0.00 -0.40 -0.49 107.32 115.40 1x4b s GLY 33 Ca 0.42 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 44.26 1x4b s GLY 33 CO 0.13 -0.42 0.00 0.61 0.00 0.00 0.00 173.10 173.43 1x4b n GLY 34 N 2.86 -0.76 0.71 0.20 0.00 0.49 -1.09 105.19 107.61 1x4b n GLY 34 Ca -0.18 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.75 1x4b n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4b n LEU 35 N -0.41 2.63 0.00 0.99 4.77 0.40 -4.35 117.00 121.03 1x4b n LEU 35 Ca 0.00 -1.32 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 1x4b n LEU 35 Cb 0.00 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1x4b n LEU 35 CO 0.00 0.55 0.00 -0.24 -1.33 0.00 0.00 177.39 176.37 1x4b n SER 36 N 0.89 -0.50 0.00 -1.43 2.88 -1.26 -2.17 113.62 112.04 1x4b n SER 36 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1x4b n SER 36 Cb 0.43 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 1x4b n SER 36 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1x4b n PHE 37 N -2.10 0.00 -0.03 0.66 3.72 -1.26 -4.77 117.46 113.68 1x4b n PHE 37 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 1x4b n PHE 37 Cb 0.02 -0.33 -0.01 0.00 -0.94 0.00 0.00 39.48 38.21 1x4b n PHE 37 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1x4b n GLU 38 N -2.00 0.20 -1.34 -1.08 1.02 -1.13 -4.46 120.64 111.86 1x4b n GLU 38 Ca 0.00 0.08 -0.32 0.00 -0.02 0.00 0.00 57.16 56.90 1x4b n GLU 38 Cb 0.00 -0.79 -0.15 0.00 -0.02 0.00 0.00 31.44 30.48 1x4b n GLU 38 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1x4b n THR 39 N -3.42 0.00 -0.44 2.62 -1.04 -0.92 -4.85 114.28 106.23 1x4b n THR 39 Ca -0.05 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1x4b n THR 39 Cb 0.20 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 1x4b n THR 39 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1x4b n THR 40 N 6.23 0.00 0.24 12.58 -2.24 -1.26 -4.68 114.28 125.15 1x4b n THR 40 Ca 0.59 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 62.22 1x4b n THR 40 Cb 0.05 -1.27 -0.08 0.00 -2.10 0.00 0.00 70.33 66.93 1x4b n THR 40 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1x4b h GLU 41 N 0.00 -0.54 0.71 -0.78 5.08 -1.91 -1.76 114.58 115.38 1x4b h GLU 41 Ca 0.00 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1x4b h GLU 41 Cb 0.00 0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.38 1x4b h GLU 41 CO 0.00 -0.34 -0.34 1.49 -1.00 0.00 0.00 179.01 178.82 1x4b h GLU 42 N -0.60 -0.92 -1.85 2.33 4.81 -1.93 -0.39 114.58 116.04 1x4b h GLU 42 Ca -0.06 0.06 0.54 0.00 -0.13 0.00 0.00 59.36 59.77 1x4b h GLU 42 Cb 0.45 0.21 -0.07 0.00 0.63 0.00 0.00 28.75 29.96 1x4b h GLU 42 CO 0.09 -0.61 1.38 0.77 -0.73 0.00 0.00 179.01 179.91 1x4b h SER 43 N -1.02 0.00 0.10 1.04 0.02 -1.91 0.50 113.55 112.29 1x4b h SER 43 Ca -0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1x4b h SER 43 Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1x4b h SER 43 CO 0.16 0.00 -0.05 0.25 -1.14 0.00 0.00 176.83 176.05 1x4b h LEU 44 N 0.00 -0.12 -0.72 5.07 5.85 -0.76 -3.30 115.31 121.33 1x4b h LEU 44 Ca 0.88 0.00 0.16 0.00 0.84 0.00 0.00 57.88 59.76 1x4b h LEU 44 Cb 3.63 0.03 -0.13 0.00 0.37 0.00 0.00 40.66 44.56 1x4b h LEU 44 CO -0.01 0.28 -0.08 0.03 -0.34 0.00 0.00 178.44 178.33 1x4b h ARG 45 N -0.87 0.05 -0.68 1.25 3.08 0.15 1.53 114.38 118.89 1x4b h ARG 45 Ca -0.01 -0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.23 1x4b h ARG 45 Cb 0.11 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1x4b h ARG 45 CO 0.02 0.04 0.77 -0.97 -1.07 0.00 0.00 179.97 178.76 1x4b h ASN 46 N 0.05 0.00 0.04 7.04 -1.24 -0.60 1.56 115.58 122.43 1x4b h ASN 46 Ca 0.37 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 57.03 1x4b h ASN 46 Cb 0.62 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.63 1x4b h ASN 46 CO -0.68 0.00 -1.97 0.00 -1.29 0.00 0.00 177.43 173.49 1x4b n TYR 47 N -3.51 0.69 0.12 0.67 4.19 0.50 -4.21 117.16 115.61 1x4b n TYR 47 Ca 0.14 0.22 -0.01 0.00 3.31 0.00 0.00 57.90 61.56 1x4b n TYR 47 Cb 1.01 -1.08 0.15 0.00 0.49 0.00 0.00 39.34 39.91 1x4b n TYR 47 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 1x4b n TYR 48 N -3.92 1.04 0.58 2.98 4.01 0.54 -3.57 117.16 118.83 1x4b n TYR 48 Ca -0.40 -0.53 0.11 0.00 -0.16 0.00 0.00 57.90 56.92 1x4b n TYR 48 Cb 0.89 -0.36 -0.11 0.00 -0.31 0.00 0.00 39.34 39.44 1x4b n TYR 48 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1x4b n GLU 49 N 0.14 0.27 0.00 -0.72 1.02 0.50 -3.57 120.64 118.29 1x4b n GLU 49 Ca 0.16 -0.07 0.14 0.00 -0.02 0.00 0.00 57.16 57.37 1x4b n GLU 49 Cb 0.77 -1.52 0.54 0.00 -0.02 0.00 0.00 31.44 31.21 1x4b n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x4b n GLN 50 N -1.83 0.21 -0.10 3.49 10.64 -1.23 -3.56 117.38 124.99 1x4b n GLN 50 Ca 0.01 -0.06 -0.13 0.00 -1.83 0.00 0.00 57.00 54.99 1x4b n GLN 50 Cb 0.43 -1.50 -0.11 0.00 -0.86 0.00 0.00 30.24 28.20 1x4b n GLN 50 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 1x4b n TRP 51 N -1.34 0.00 0.00 2.61 8.01 -1.26 -5.08 117.44 120.38 1x4b n TRP 51 Ca 0.09 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.28 1x4b n TRP 51 Cb 0.31 -0.83 0.00 0.00 -2.01 0.00 0.00 31.31 28.79 1x4b n TRP 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1x4b n GLY 52 N 2.36 0.70 3.63 6.99 0.00 -1.23 -4.43 105.19 113.21 1x4b n GLY 52 Ca -0.36 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 1x4b n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4b s LYS 53 N -2.00 3.97 -0.01 1.61 1.02 -1.26 -4.04 119.74 119.02 1x4b s LYS 53 Ca 0.00 0.94 -0.30 0.00 0.02 0.00 0.00 55.97 56.63 1x4b s LYS 53 Cb 0.00 -3.79 -0.05 0.00 -0.52 0.00 0.00 37.83 33.47 1x4b s LYS 53 CO 0.00 -1.05 1.34 -0.51 -0.92 0.00 0.00 175.35 174.22 1x4b s LEU 54 N 3.91 4.31 0.17 3.17 1.43 -1.26 -2.64 118.68 127.76 1x4b s LEU 54 Ca 0.47 2.04 0.26 0.00 -1.03 0.00 0.00 54.13 55.86 1x4b s LEU 54 Cb -0.11 -3.56 0.71 0.00 0.03 0.00 0.00 46.19 43.26 1x4b s LEU 54 CO 0.20 -0.67 1.66 0.35 0.23 0.00 0.00 176.35 178.12 1x4b n THR 55 N 4.60 0.48 -3.63 5.49 -2.24 0.49 -4.75 114.28 114.73 1x4b n THR 55 Ca 0.12 -0.26 -0.01 0.00 -2.27 0.00 0.00 64.05 61.63 1x4b n THR 55 Cb 0.44 -0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 1x4b n THR 55 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x4b s ASP 56 N -4.32 -1.08 -0.13 3.42 2.15 -1.16 -4.98 116.67 110.57 1x4b s ASP 56 Ca 0.10 1.50 -0.00 0.00 0.43 0.00 0.00 52.55 54.58 1x4b s ASP 56 Cb 0.13 2.19 0.03 0.00 -0.30 0.00 0.00 42.92 44.96 1x4b s ASP 56 CO 0.63 -0.21 -0.09 0.00 -0.17 0.00 0.00 175.17 175.32 1x4b s VAL 58 N 1.63 1.33 -0.22 0.00 1.01 -0.45 -4.92 120.40 118.79 1x4b s VAL 58 Ca 0.04 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1x4b s VAL 58 Cb -0.13 -1.12 0.05 0.00 0.00 0.00 0.00 36.38 35.18 1x4b s VAL 58 CO -0.09 0.33 -0.09 0.54 0.00 0.00 0.00 175.10 175.79 1x4b s VAL 59 N -0.47 1.68 0.51 2.92 0.11 -1.26 0.22 120.40 124.12 1x4b s VAL 59 Ca 0.06 -1.14 -0.21 0.00 -2.93 0.00 0.00 61.98 57.76 1x4b s VAL 59 Cb -0.07 -1.81 -0.06 0.00 -1.53 0.00 0.00 36.38 32.91 1x4b s VAL 59 CO -0.00 0.08 1.17 -0.04 -3.33 0.00 0.00 175.10 172.97 1x4b s MET 60 N 1.36 3.46 -0.03 1.54 -1.94 -0.14 -4.94 119.30 118.61 1x4b s MET 60 Ca -0.03 1.74 -0.01 0.00 -1.71 0.00 0.00 55.69 55.68 1x4b s MET 60 Cb -0.17 -2.18 0.03 0.00 2.01 0.00 0.00 34.83 34.52 1x4b s MET 60 CO -0.07 -0.79 0.04 1.03 -0.01 0.00 0.00 175.02 175.22 1x4b s ARG 61 N -3.03 -0.05 -0.36 2.03 0.52 -1.26 -1.28 118.95 115.53 1x4b s ARG 61 Ca 0.69 0.24 -0.45 0.00 -0.52 0.00 0.00 55.73 55.70 1x4b s ARG 61 Cb -0.28 -0.32 -0.20 0.00 0.52 0.00 0.00 34.95 34.68 1x4b s ARG 61 CO 0.32 -0.21 1.49 -0.25 0.02 0.00 0.00 175.30 176.67 1x4b n ASP 62 N 4.50 1.06 0.23 0.23 8.00 -1.25 -4.71 116.55 124.61 1x4b n ASP 62 Ca -0.21 1.17 0.13 0.00 0.71 0.00 0.00 54.79 56.59 1x4b n ASP 62 Cb 0.50 -0.92 0.40 0.00 -0.02 0.00 0.00 41.12 41.08 1x4b n ASP 62 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1x4b h PRO 63 N 4.75 0.00 0.06 -0.24 0.13 -1.97 1.49 132.00 136.21 1x4b h PRO 63 Ca -0.46 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.32 1x4b h PRO 63 Cb 1.38 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.47 1x4b h PRO 63 CO 0.90 0.08 -2.00 0.00 -0.23 0.00 0.00 178.00 176.76 1x4b n ALA 64 N -2.13 1.01 -0.03 -0.56 0.00 -1.26 -4.51 120.51 113.03 1x4b n ALA 64 Ca 0.02 -0.73 -0.16 0.00 0.00 0.00 0.00 53.44 52.56 1x4b n ALA 64 Cb 0.45 -0.44 -0.14 0.00 0.00 0.00 0.00 19.45 19.33 1x4b n ALA 64 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1x4b h SER 65 N -0.32 0.16 -0.88 0.00 0.02 -1.93 -3.48 113.55 107.12 1x4b h SER 65 Ca -0.47 -0.96 -0.13 0.00 -0.84 0.00 0.00 61.79 59.38 1x4b h SER 65 Cb 1.79 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 64.26 1x4b h SER 65 CO -0.08 1.16 -0.17 1.17 -1.14 0.00 0.00 176.83 177.78 1x4b n LYS 66 N -4.43 -0.53 -2.53 3.45 0.00 0.51 -4.94 118.16 109.70 1x4b n LYS 66 Ca -0.12 0.38 -0.19 0.00 0.00 0.00 0.00 58.31 58.37 1x4b n LYS 66 Cb 0.61 -4.24 0.01 0.00 0.00 0.00 0.00 35.03 31.42 1x4b n LYS 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1x4b n ARG 67 N -1.79 2.55 -1.61 1.64 1.74 -1.26 -4.93 116.66 113.01 1x4b n ARG 67 Ca -0.08 -3.99 0.00 0.00 -0.77 0.00 0.00 57.85 53.01 1x4b n ARG 67 Cb 0.52 -1.86 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1x4b n ARG 67 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1x4b n SER 68 N -0.36 -8.68 -0.03 0.55 7.64 -1.26 -4.79 113.62 106.69 1x4b n SER 68 Ca 0.27 1.71 -0.17 0.00 1.01 0.00 0.00 58.87 61.69 1x4b n SER 68 Cb 0.75 -5.13 -0.14 0.00 -1.01 0.00 0.00 64.21 58.68 1x4b n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1x4b n ARG 69 N -2.08 0.71 0.00 1.43 1.74 -0.40 -3.89 116.66 114.17 1x4b n ARG 69 Ca 0.00 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 1x4b n ARG 69 Cb 0.34 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1x4b n ARG 69 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x4b n GLY 70 N 1.93 1.43 3.51 -0.13 0.00 -1.26 -4.74 105.19 105.92 1x4b n GLY 70 Ca -0.31 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 1x4b n GLY 70 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x4b s PHE 71 N -2.00 -0.63 0.00 1.61 -0.12 -1.26 0.19 117.98 115.76 1x4b s PHE 71 Ca 0.00 0.99 0.00 0.00 -0.05 0.00 0.00 56.93 57.87 1x4b s PHE 71 Cb 0.00 0.44 0.00 0.00 -0.63 0.00 0.00 43.02 42.83 1x4b s PHE 71 CO 0.00 -0.64 0.00 0.41 -0.05 0.00 0.00 175.22 174.94 1x4b n GLY 72 N 0.70 3.32 3.13 1.99 0.00 0.36 -0.97 105.19 113.71 1x4b n GLY 72 Ca -0.18 -0.91 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 1x4b n GLY 72 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x4b s PHE 73 N -3.14 1.11 -0.18 1.61 0.40 0.13 0.15 117.98 118.06 1x4b s PHE 73 Ca 0.00 -0.39 -0.03 0.00 -0.60 0.00 0.00 56.93 55.91 1x4b s PHE 73 Cb 0.00 -0.65 0.06 0.00 0.51 0.00 0.00 43.02 42.94 1x4b s PHE 73 CO 0.00 0.02 0.04 0.14 0.70 0.00 0.00 175.22 176.12 1x4b s VAL 74 N -1.00 0.46 -0.50 -0.44 -7.23 0.14 -1.34 120.40 110.49 1x4b s VAL 74 Ca -0.01 -0.46 -0.17 0.00 -1.81 0.00 0.00 61.98 59.53 1x4b s VAL 74 Cb -0.08 -0.95 0.08 0.00 0.56 0.00 0.00 36.38 35.99 1x4b s VAL 74 CO 0.01 -0.17 0.50 -0.89 -0.31 0.00 0.00 175.10 174.24 1x4b s THR 75 N 1.89 5.10 1.02 5.32 2.01 0.61 -1.81 115.64 129.78 1x4b s THR 75 Ca -0.00 -0.94 -0.13 0.00 0.31 0.00 0.00 61.69 60.94 1x4b s THR 75 Cb -0.17 -4.23 0.20 0.00 0.01 0.00 0.00 72.50 68.32 1x4b s THR 75 CO -0.08 -0.72 1.09 -0.36 -0.69 0.00 0.00 174.62 173.86 1x4b s PHE 76 N 2.01 2.03 -0.12 4.92 0.08 -1.19 0.19 117.98 125.89 1x4b s PHE 76 Ca 0.08 0.97 -0.21 0.00 0.12 0.00 0.00 56.93 57.89 1x4b s PHE 76 Cb -0.23 -3.26 -0.27 0.00 -0.57 0.00 0.00 43.02 38.69 1x4b s PHE 76 CO 0.08 -3.02 0.63 1.03 -0.10 0.00 0.00 175.22 173.84 1x4b h SER 77 N -1.99 0.25 -1.53 1.36 0.87 -1.86 -3.40 113.55 107.25 1x4b h SER 77 Ca -0.56 -0.86 -0.59 0.00 -1.23 0.00 0.00 61.79 58.56 1x4b h SER 77 Cb 1.33 -0.08 -0.10 0.00 -0.44 0.00 0.00 62.40 63.12 1x4b h SER 77 CO 0.57 1.40 -0.52 -0.55 -0.53 0.00 0.00 176.83 177.20 1x4b s SER 78 N -6.80 4.27 0.15 6.23 0.15 -1.26 -5.04 113.70 111.40 1x4b s SER 78 Ca -0.20 -1.19 0.10 0.00 0.70 0.00 0.00 55.95 55.37 1x4b s SER 78 Cb 0.02 -0.39 -0.13 0.00 -1.71 0.00 0.00 66.02 63.81 1x4b s SER 78 CO 0.74 -0.55 1.26 -0.03 1.20 0.00 0.00 173.24 175.85 1x4b h MET 79 N 1.49 0.00 0.51 5.44 4.05 -1.99 -3.28 114.93 121.15 1x4b h MET 79 Ca -0.43 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 58.97 1x4b h MET 79 Cb 1.25 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.06 1x4b h MET 79 CO 0.73 0.78 -0.24 0.00 0.23 0.00 0.00 176.91 178.41 1x4b h ALA 80 N 1.16 -1.12 -0.88 0.39 0.00 -1.97 0.31 119.26 117.16 1x4b h ALA 80 Ca -0.04 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1x4b h ALA 80 Cb 1.67 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 19.61 1x4b h ALA 80 CO 0.10 -1.07 -0.58 0.93 0.00 0.00 0.00 179.25 178.64 1x4b h GLU 81 N -0.72 -0.07 -0.63 0.00 3.07 -1.78 0.68 114.58 115.14 1x4b h GLU 81 Ca -0.07 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.90 1x4b h GLU 81 Cb 0.52 0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 28.37 1x4b h GLU 81 CO 0.11 -0.05 0.22 -0.24 -1.40 0.00 0.00 179.01 177.66 1x4b h VAL 82 N -0.08 0.74 -0.30 3.13 3.04 -1.61 0.60 116.25 121.79 1x4b h VAL 82 Ca 0.14 -0.14 0.09 0.00 -1.01 0.00 0.00 66.70 65.78 1x4b h VAL 82 Cb 0.44 0.31 -0.01 0.00 -2.01 0.00 0.00 31.29 30.02 1x4b h VAL 82 CO -0.86 0.07 0.25 0.44 -1.01 0.00 0.00 177.57 176.46 1x4b h ASP 83 N 0.40 0.00 -0.02 3.17 5.19 0.41 -0.05 116.42 125.51 1x4b h ASP 83 Ca 0.32 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.71 1x4b h ASP 83 Cb 0.42 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1x4b h ASP 83 CO -0.33 0.00 -0.08 0.00 -3.12 0.00 0.00 179.24 175.71 1x4b h ALA 84 N 1.77 0.04 -1.00 3.45 0.00 0.43 -2.98 119.26 120.97 1x4b h ALA 84 Ca 0.14 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 54.81 1x4b h ALA 84 Cb 0.65 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 1x4b h ALA 84 CO -0.00 -0.08 0.63 0.00 0.00 0.00 0.00 179.25 179.81 1x4b h ALA 85 N 0.38 1.51 -0.91 0.00 0.00 0.04 0.27 119.26 120.55 1x4b h ALA 85 Ca -0.00 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1x4b h ALA 85 Cb 0.73 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 1x4b h ALA 85 CO 0.02 0.27 0.57 0.52 0.00 0.00 0.00 179.25 180.63 1x4b h MET 86 N 1.03 0.99 -0.86 0.00 2.07 -1.09 -1.89 114.93 115.18 1x4b h MET 86 Ca 0.48 -0.06 -0.60 0.00 -2.07 0.00 0.00 59.70 57.45 1x4b h MET 86 Cb 0.42 -0.22 -0.38 0.00 -1.87 0.00 0.00 31.60 29.55 1x4b h MET 86 CO -0.24 0.66 -0.16 0.00 1.07 0.00 0.00 176.91 178.24 1x4b n ALA 87 N -2.36 5.54 0.04 6.32 0.00 -0.07 -4.41 120.51 125.57 1x4b n ALA 87 Ca 0.14 -3.68 0.05 0.00 0.00 0.00 0.00 53.44 49.95 1x4b n ALA 87 Cb 0.20 -0.89 -0.07 0.00 0.00 0.00 0.00 19.45 18.68 1x4b n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x4b n ALA 88 N -0.79 2.44 -0.94 0.00 0.00 0.76 -4.96 120.51 117.02 1x4b n ALA 88 Ca 0.51 -0.24 -0.35 0.00 0.00 0.00 0.00 53.44 53.37 1x4b n ALA 88 Cb 0.85 -0.34 0.08 0.00 0.00 0.00 0.00 19.45 20.03 1x4b n ALA 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x4b n ARG 89 N -1.79 -0.10 -1.06 0.00 1.74 -1.25 -4.73 116.66 109.48 1x4b n ARG 89 Ca -0.01 -0.01 -0.21 0.00 -0.77 0.00 0.00 57.85 56.85 1x4b n ARG 89 Cb 0.25 -1.43 0.16 0.00 -1.02 0.00 0.00 32.46 30.42 1x4b n ARG 89 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1x4b n PRO 90 N 0.41 -1.72 -3.75 5.56 -0.04 -1.26 -5.16 135.00 129.04 1x4b n PRO 90 Ca 0.03 -1.36 -0.15 0.00 -0.04 0.00 0.00 63.50 61.98 1x4b n PRO 90 Cb 0.54 -1.07 -0.16 0.00 -0.04 0.00 0.00 33.50 32.77 1x4b n PRO 90 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1x4b s HIS 91 N -2.75 -0.01 -0.26 0.54 3.76 -1.26 -5.08 115.29 110.23 1x4b s HIS 91 Ca 0.52 0.22 0.02 0.00 -0.15 0.00 0.00 55.06 55.67 1x4b s HIS 91 Cb -0.03 -0.24 0.05 0.00 1.11 0.00 0.00 32.58 33.48 1x4b s HIS 91 CO 0.38 -0.12 -0.10 -1.54 -0.85 0.00 0.00 174.74 172.51 1x4b s SER 92 N 1.23 4.38 -0.03 1.40 1.04 -1.26 -0.38 113.70 120.08 1x4b s SER 92 Ca -0.07 -1.30 0.04 0.00 0.48 0.00 0.00 55.95 55.10 1x4b s SER 92 Cb -0.13 -1.57 -0.01 0.00 0.10 0.00 0.00 66.02 64.42 1x4b s SER 92 CO -0.04 -0.18 -0.16 -0.63 0.98 0.00 0.00 173.24 173.22 1x4b s ILE 93 N 1.14 1.29 0.00 -1.02 1.01 0.14 -4.64 121.20 119.12 1x4b s ILE 93 Ca -0.07 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.92 1x4b s ILE 93 Cb -0.19 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.18 1x4b s ILE 93 CO -0.05 0.37 0.00 -0.67 0.00 0.00 0.00 174.94 174.59 1x4b n ASP 94 N 2.99 -4.63 0.00 3.58 -0.08 -1.26 -1.14 116.55 116.01 1x4b n ASP 94 Ca -0.17 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.11 1x4b n ASP 94 Cb 0.54 -2.23 0.00 0.00 2.34 0.00 0.00 41.12 41.77 1x4b n ASP 94 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x4b n GLY 95 N -0.70 0.81 3.83 0.27 0.00 -1.26 -5.05 105.19 103.10 1x4b n GLY 95 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1x4b n GLY 95 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x4b s ARG 96 N -0.72 2.91 -0.32 1.61 1.70 -0.29 -5.06 118.95 118.79 1x4b s ARG 96 Ca 0.00 -1.08 -0.21 0.00 -0.47 0.00 0.00 55.73 53.97 1x4b s ARG 96 Cb 0.00 -2.56 -0.00 0.00 -0.57 0.00 0.00 34.95 31.81 1x4b s ARG 96 CO 0.00 0.36 0.66 0.08 -1.08 0.00 0.00 175.30 175.32 1x4b s VAL 97 N -2.15 4.90 0.68 4.99 1.01 -1.26 0.23 120.40 128.79 1x4b s VAL 97 Ca 0.34 0.85 0.01 0.00 0.00 0.00 0.00 61.98 63.19 1x4b s VAL 97 Cb -0.08 -4.04 0.13 0.00 0.00 0.00 0.00 36.38 32.39 1x4b s VAL 97 CO 0.25 -0.20 0.93 1.33 0.00 0.00 0.00 175.10 177.42 1x4b n VAL 98 N 5.47 0.00 -3.23 2.92 0.24 0.49 -4.96 118.33 119.25 1x4b n VAL 98 Ca -0.00 -1.56 -0.02 0.00 -2.04 0.00 0.00 64.34 60.73 1x4b n VAL 98 Cb 0.49 -0.86 -0.04 0.00 -1.47 0.00 0.00 33.84 31.96 1x4b n VAL 98 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1x4b s GLU 99 N -4.93 0.48 0.63 7.34 1.03 -0.25 -4.40 118.70 118.60 1x4b s GLU 99 Ca 0.63 0.76 -0.14 0.00 0.03 0.00 0.00 54.97 56.25 1x4b s GLU 99 Cb -0.04 0.11 -0.02 0.00 -0.80 0.00 0.00 34.13 33.38 1x4b s GLU 99 CO 0.41 -0.67 1.05 -1.25 -1.33 0.00 0.00 175.26 173.47 1x4b s PRO 100 N 2.73 3.21 0.05 -4.83 0.04 -1.26 -1.28 135.00 133.66 1x4b s PRO 100 Ca 0.17 1.08 0.03 0.00 0.04 0.00 0.00 61.00 62.32 1x4b s PRO 100 Cb -0.15 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 1x4b s PRO 100 CO -0.20 -0.89 -0.10 0.15 0.04 0.00 0.00 177.00 176.01 1x4b s LYS 101 N -4.48 0.64 0.54 4.56 -0.14 0.17 -4.86 119.74 116.17 1x4b s LYS 101 Ca 0.61 -0.85 0.20 0.00 -1.36 0.00 0.00 55.97 54.57 1x4b s LYS 101 Cb -0.15 -0.46 1.39 0.00 -1.68 0.00 0.00 37.83 36.93 1x4b s LYS 101 CO 0.44 0.09 2.13 0.00 -0.76 0.00 0.00 175.35 177.25 1x4b h ARG 102 N 4.35 0.00 -1.26 1.68 3.08 -1.88 0.28 114.38 120.63 1x4b h ARG 102 Ca -0.37 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.64 1x4b h ARG 102 Cb 1.20 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.26 1x4b h ARG 102 CO 0.42 0.00 -0.06 0.00 -1.07 0.00 0.00 179.97 179.26 1x4b n ALA 103 N -2.52 -0.11 -0.08 0.04 0.00 -1.26 -4.19 120.51 112.39 1x4b n ALA 103 Ca -0.00 0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.32 1x4b n ALA 103 Cb 0.20 -0.91 -0.07 0.00 0.00 0.00 0.00 19.45 18.67 1x4b n ALA 103 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1x4b n VAL 104 N -2.92 0.95 0.00 0.00 0.24 -1.26 -4.84 118.33 110.49 1x4b n VAL 104 Ca -0.00 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 1x4b n VAL 104 Cb 0.51 -1.39 0.00 0.00 -1.47 0.00 0.00 33.84 31.49 1x4b n VAL 104 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x4b n ALA 105 N -3.36 0.00 -3.96 2.33 0.00 -1.26 -5.15 120.51 109.11 1x4b n ALA 105 Ca -0.32 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.00 1x4b n ALA 105 Cb 0.78 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.20 1x4b n ALA 105 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1x4b n ARG 106 N 0.00 0.66 -3.33 0.00 0.63 -1.26 -5.09 116.66 108.27 1x4b n ARG 106 Ca 0.00 -2.59 -0.46 0.00 -0.92 0.00 0.00 57.85 53.89 1x4b n ARG 106 Cb 0.00 2.50 -0.05 0.00 0.45 0.00 0.00 32.46 35.35 1x4b n ARG 106 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1x4b s GLU 107 N -2.73 2.95 0.12 -0.14 2.12 -1.26 -4.59 118.70 115.18 1x4b s GLU 107 Ca 0.27 -1.71 0.00 0.00 0.36 0.00 0.00 54.97 53.89 1x4b s GLU 107 Cb -0.01 -4.27 0.00 0.00 0.26 0.00 0.00 34.13 30.11 1x4b s GLU 107 CO 0.19 -1.31 0.00 -1.91 -0.54 0.00 0.00 175.26 171.69 1x4b n GLU 108 N 5.22 0.00 -2.49 4.30 2.13 -1.26 -5.12 120.64 123.43 1x4b n GLU 108 Ca -0.14 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.67 1x4b n GLU 108 Cb 0.40 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.10 1x4b n GLU 108 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1x4b n SER 109 N -2.66 -5.37 -4.76 4.31 7.64 -1.26 -5.01 113.62 106.51 1x4b n SER 109 Ca 0.00 1.18 -0.29 0.00 1.01 0.00 0.00 58.87 60.77 1x4b n SER 109 Cb 0.00 -4.61 0.13 0.00 -1.01 0.00 0.00 64.21 58.72 1x4b n SER 109 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4b s GLY 110 N -1.16 1.58 -0.18 0.23 0.00 -1.26 -5.04 107.32 101.51 1x4b s GLY 110 Ca -0.06 -0.57 -0.13 0.00 0.00 0.00 0.00 44.72 43.96 1x4b s GLY 110 CO 0.66 -0.01 0.25 -0.56 0.00 0.00 0.00 173.10 173.44 1x4b s SER 111 N -4.13 6.36 -0.01 1.64 0.01 -1.26 -5.02 113.70 111.29 1x4b s SER 111 Ca 0.64 0.42 -0.38 0.00 1.31 0.00 0.00 55.95 57.93 1x4b s SER 111 Cb -0.14 -2.16 -0.17 0.00 0.21 0.00 0.00 66.02 63.76 1x4b s SER 111 CO 0.53 0.11 1.38 0.61 0.41 0.00 0.00 173.24 176.28 1x4b n GLY 112 N 3.51 0.43 0.15 3.44 0.00 -1.26 -4.88 105.19 106.58 1x4b n GLY 112 Ca -0.13 0.76 -0.17 0.00 0.00 0.00 0.00 46.02 46.48 1x4b n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4b h PRO 113 N 4.84 0.44 -6.00 1.61 0.13 -2.07 -3.43 132.00 127.52 1x4b h PRO 113 Ca -0.48 -0.42 -0.66 0.00 -0.87 0.00 0.00 66.00 63.57 1x4b h PRO 113 Cb 1.35 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.57 1x4b h PRO 113 CO 0.80 1.07 1.42 0.45 -0.23 0.00 0.00 178.00 181.51 1x4b n SER 114 N -4.24 2.32 -4.02 1.44 2.88 -1.26 -4.88 113.62 105.86 1x4b n SER 114 Ca -0.09 0.40 -0.33 0.00 -1.33 0.00 0.00 58.87 57.52 1x4b n SER 114 Cb 0.64 -1.30 -0.10 0.00 -0.75 0.00 0.00 64.21 62.70 1x4b n SER 114 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4b s SER 115 N 7.34 5.27 0.00 -3.46 0.01 -1.26 -5.24 113.70 116.35 1x4b s SER 115 Ca 1.08 -3.50 0.00 0.00 1.31 0.00 0.00 55.95 54.84 1x4b s SER 115 Cb -0.79 -1.78 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1x4b s SER 115 CO 0.47 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.54