#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 -0.42 0.01 1.61 0.01 -1.26 -5.18 113.70 108.47 1x4b s SER 2 Ca 0.00 -0.20 -0.20 0.00 1.31 0.00 0.00 55.95 56.86 1x4b s SER 2 Cb 0.00 0.58 0.04 0.00 0.21 0.00 0.00 66.02 66.85 1x4b s SER 2 CO 0.00 -0.99 0.44 -0.55 0.41 0.00 0.00 173.24 172.55 1x4b s SER 3 N -2.80 -0.34 0.00 2.44 0.15 -1.26 -5.10 113.70 106.80 1x4b s SER 3 Ca 0.04 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1x4b s SER 3 Cb -0.01 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1x4b s SER 3 CO -0.09 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.36 1x4b n GLY 4 N 0.81 -1.35 2.22 9.45 0.00 -1.26 -5.14 105.19 109.93 1x4b n GLY 4 Ca -0.20 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1x4b n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x4b n SER 5 N 0.00 -9.15 -3.72 1.61 2.88 -1.26 -5.07 113.62 98.90 1x4b n SER 5 Ca 0.00 1.67 -0.14 0.00 -1.33 0.00 0.00 58.87 59.07 1x4b n SER 5 Cb 0.00 -5.02 -0.09 0.00 -0.75 0.00 0.00 64.21 58.35 1x4b n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4b s SER 6 N -0.56 -0.32 0.00 -3.46 1.04 -1.26 -5.16 113.70 103.98 1x4b s SER 6 Ca 0.00 0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1x4b s SER 6 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1x4b s SER 6 CO 0.00 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1x4b n GLY 7 N 1.75 -0.56 2.07 7.32 0.00 -1.26 -5.09 105.19 109.41 1x4b n GLY 7 Ca -0.19 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1x4b n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x4b n MET 8 N -0.52 0.00 -2.25 1.61 2.00 -1.26 -5.14 117.12 111.56 1x4b n MET 8 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.68 1x4b n MET 8 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.20 1x4b n MET 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1x4b n GLU 9 N -3.06 -4.24 -4.61 0.03 -0.58 -1.26 -5.05 120.64 101.87 1x4b n GLU 9 Ca 0.00 3.19 -0.23 0.00 -0.42 0.00 0.00 57.16 59.70 1x4b n GLU 9 Cb 0.00 -4.24 -0.16 0.00 -0.57 0.00 0.00 31.44 26.47 1x4b n GLU 9 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1x4b s LYS 10 N -0.79 1.40 -0.03 3.49 1.02 -1.26 -5.13 119.74 118.43 1x4b s LYS 10 Ca -0.10 -0.45 0.01 0.00 0.02 0.00 0.00 55.97 55.46 1x4b s LYS 10 Cb 0.01 -1.24 0.01 0.00 -0.52 0.00 0.00 37.83 36.09 1x4b s LYS 10 CO 0.26 0.17 -0.05 0.95 -0.92 0.00 0.00 175.35 175.75 1x4b s THR 11 N 0.16 0.52 0.29 2.17 -4.23 -1.26 -5.15 115.64 108.14 1x4b s THR 11 Ca -0.04 -0.16 0.03 0.00 -1.18 0.00 0.00 61.69 60.33 1x4b s THR 11 Cb -0.11 -0.51 -0.04 0.00 1.34 0.00 0.00 72.50 73.18 1x4b s THR 11 CO 0.01 0.20 0.16 -0.76 -0.54 0.00 0.00 174.62 173.69 1x4b s LEU 12 N 0.59 1.60 0.11 4.79 1.43 -1.26 -5.14 118.68 120.79 1x4b s LEU 12 Ca -0.08 -1.53 -0.26 0.00 -1.03 0.00 0.00 54.13 51.24 1x4b s LEU 12 Cb -0.11 0.23 -0.07 0.00 0.03 0.00 0.00 46.19 46.28 1x4b s LEU 12 CO 0.00 -0.88 0.79 -1.61 0.23 0.00 0.00 176.35 174.88 1x4b s GLU 13 N -3.86 4.55 -0.39 1.70 2.02 -1.26 -5.03 118.70 116.43 1x4b s GLU 13 Ca 0.37 1.14 -0.18 0.00 0.02 0.00 0.00 54.97 56.32 1x4b s GLU 13 Cb 0.05 -3.32 0.01 0.00 0.10 0.00 0.00 34.13 30.98 1x4b s GLU 13 CO 0.17 0.41 0.49 0.99 0.02 0.00 0.00 175.26 177.35 1x4b s THR 14 N -0.56 5.02 0.04 3.63 2.01 -1.26 -4.83 115.64 119.70 1x4b s THR 14 Ca 0.38 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.41 1x4b s THR 14 Cb -0.22 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 1x4b s THR 14 CO 0.25 -0.35 -0.05 0.68 -0.69 0.00 0.00 174.62 174.46 1x4b s VAL 15 N 2.34 0.34 -0.04 3.82 -7.23 -1.26 -5.07 120.40 113.31 1x4b s VAL 15 Ca 0.16 -1.31 -0.24 0.00 -1.81 0.00 0.00 61.98 58.78 1x4b s VAL 15 Cb -0.16 -0.85 -0.22 0.00 0.56 0.00 0.00 36.38 35.71 1x4b s VAL 15 CO 0.14 -0.63 1.07 1.55 -0.31 0.00 0.00 175.10 176.92 1x4b h PRO 16 N 4.02 0.20 0.00 4.82 0.13 -2.03 -3.47 132.00 135.67 1x4b h PRO 16 Ca -0.34 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1x4b h PRO 16 Cb 1.19 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1x4b h PRO 16 CO 0.50 0.90 0.00 -0.11 -0.23 0.00 0.00 178.00 179.06 1x4b n LEU 17 N -4.51 0.00 -4.59 1.56 0.00 -1.26 -4.87 117.00 103.34 1x4b n LEU 17 Ca -0.09 0.00 -0.46 0.00 0.00 0.00 0.00 56.01 55.45 1x4b n LEU 17 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.88 1x4b n LEU 17 CO 0.39 0.00 0.65 -0.62 0.00 0.00 0.00 177.39 177.82 1x4b n GLU 18 N 0.00 1.29 -1.98 1.96 1.02 -1.26 -4.83 120.64 116.85 1x4b n GLU 18 Ca 0.00 0.46 -0.41 0.00 -0.02 0.00 0.00 57.16 57.18 1x4b n GLU 18 Cb 0.00 -1.89 -0.00 0.00 -0.02 0.00 0.00 31.44 29.52 1x4b n GLU 18 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1x4b n ARG 19 N 1.27 3.73 -2.97 3.49 1.85 -1.26 -4.64 116.66 118.12 1x4b n ARG 19 Ca 0.12 -3.13 -0.13 0.00 -1.00 0.00 0.00 57.85 53.71 1x4b n ARG 19 Cb 0.29 -2.90 0.01 0.00 -1.05 0.00 0.00 32.46 28.81 1x4b n ARG 19 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1x4b n LYS 20 N 3.72 -2.29 -3.73 2.89 4.01 -1.26 -5.02 118.16 116.48 1x4b n LYS 20 Ca 0.54 1.99 -0.24 0.00 -0.51 0.00 0.00 58.31 60.09 1x4b n LYS 20 Cb 0.32 -5.05 -0.17 0.00 -0.51 0.00 0.00 35.03 29.61 1x4b n LYS 20 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1x4b s LYS 21 N -2.60 0.42 -0.51 1.97 1.02 -1.26 -4.94 119.74 113.84 1x4b s LYS 21 Ca 0.27 0.04 -0.31 0.00 0.02 0.00 0.00 55.97 55.99 1x4b s LYS 21 Cb -0.06 -1.19 0.05 0.00 -0.52 0.00 0.00 37.83 36.10 1x4b s LYS 21 CO 0.79 -0.41 0.65 0.54 -0.92 0.00 0.00 175.35 176.00 1x4b n ARG 22 N 5.18 -1.90 -0.10 1.68 1.74 -1.26 -4.93 116.66 117.07 1x4b n ARG 22 Ca -0.07 1.38 -0.17 0.00 -0.77 0.00 0.00 57.85 58.22 1x4b n ARG 22 Cb 0.49 -2.42 -0.08 0.00 -1.02 0.00 0.00 32.46 29.44 1x4b n ARG 22 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1x4b n GLU 23 N -0.60 0.53 0.04 5.56 1.02 -1.26 -3.32 120.64 122.61 1x4b n GLU 23 Ca -0.11 0.47 0.08 0.00 -0.02 0.00 0.00 57.16 57.59 1x4b n GLU 23 Cb 0.67 -1.66 0.52 0.00 -0.02 0.00 0.00 31.44 30.95 1x4b n GLU 23 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1x4b h LYS 24 N -1.00 0.33 0.52 3.49 3.64 -1.98 0.18 116.57 121.75 1x4b h LYS 24 Ca -0.28 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.06 1x4b h LYS 24 Cb 1.10 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1x4b h LYS 24 CO -0.17 0.22 -0.25 1.49 -2.27 0.00 0.00 179.45 178.47 1x4b h GLU 25 N 0.34 -0.67 0.00 1.90 4.22 -1.96 -1.94 114.58 116.47 1x4b h GLU 25 Ca 0.16 0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.64 1x4b h GLU 25 Cb 0.20 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1x4b h GLU 25 CO -0.03 -0.37 0.00 0.00 -2.18 0.00 0.00 179.01 176.43 1x4b n GLN 26 N -5.27 0.00 0.10 1.92 10.64 -0.96 0.12 117.38 123.93 1x4b n GLN 26 Ca -0.11 0.36 -0.24 0.00 -1.83 0.00 0.00 57.00 55.19 1x4b n GLN 26 Cb 0.32 -1.51 -0.15 0.00 -0.86 0.00 0.00 30.24 28.04 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 0.83 -0.00 2.61 -1.00 -0.32 -3.35 116.94 115.70 1x4b h PHE 27 Ca 0.00 -0.60 0.00 0.00 2.81 0.00 0.00 57.97 60.18 1x4b h PHE 27 Cb 0.14 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.67 1x4b h PHE 27 CO 0.00 1.59 -0.75 0.54 -1.61 0.00 0.00 178.31 178.08 1x4b n ARG 28 N -3.72 0.87 -2.90 1.51 1.74 -0.76 -4.88 116.66 108.52 1x4b n ARG 28 Ca -0.20 -0.32 -0.42 0.00 -0.77 0.00 0.00 57.85 56.14 1x4b n ARG 28 Cb 1.06 -1.41 -0.05 0.00 -1.02 0.00 0.00 32.46 31.04 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 -2.65 3.82 -0.09 5.56 2.20 0.34 -3.49 119.74 125.42 1x4b s LYS 29 Ca 0.11 0.46 -0.06 0.00 -0.36 0.00 0.00 55.97 56.12 1x4b s LYS 29 Cb 0.15 -3.79 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 1x4b s LYS 29 CO 0.70 -0.85 0.13 -0.51 -0.36 0.00 0.00 175.35 174.46 1x4b s LEU 30 N 3.21 4.30 -0.43 5.43 1.02 -0.97 -4.45 118.68 126.79 1x4b s LEU 30 Ca 0.34 0.41 -0.15 0.00 0.02 0.00 0.00 54.13 54.75 1x4b s LEU 30 Cb -0.13 -2.16 0.04 0.00 0.02 0.00 0.00 46.19 43.96 1x4b s LEU 30 CO 0.17 0.37 0.33 0.12 0.02 0.00 0.00 176.35 177.36 1x4b s PHE 31 N -1.08 3.24 -0.08 0.29 2.19 0.20 -0.98 117.98 121.76 1x4b s PHE 31 Ca 0.17 -0.70 -0.23 0.00 0.33 0.00 0.00 56.93 56.50 1x4b s PHE 31 Cb -0.12 -2.77 -0.04 0.00 -1.31 0.00 0.00 43.02 38.79 1x4b s PHE 31 CO 0.07 -0.66 0.68 0.42 1.83 0.00 0.00 175.22 177.57 1x4b s ILE 32 N 1.66 5.05 -0.08 3.12 -1.09 0.11 0.31 121.20 130.28 1x4b s ILE 32 Ca 0.05 1.40 0.02 0.00 -2.23 0.00 0.00 60.65 59.89 1x4b s ILE 32 Cb -0.21 -4.02 0.01 0.00 -1.58 0.00 0.00 42.46 36.67 1x4b s ILE 32 CO 0.09 0.24 -0.13 -0.83 -1.23 0.00 0.00 174.94 173.08 1x4b s GLY 33 N 0.82 0.88 0.00 6.18 0.00 -0.29 -0.76 107.32 114.15 1x4b s GLY 33 Ca 0.36 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1x4b s GLY 33 CO 0.17 0.18 0.00 0.61 0.00 0.00 0.00 173.10 174.06 1x4b n GLY 34 N 3.99 0.80 0.61 0.20 0.00 0.17 0.16 105.19 111.12 1x4b n GLY 34 Ca -0.21 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 2.32 -0.07 0.99 4.77 0.81 -3.83 117.00 121.99 1x4b n LEU 35 Ca 0.00 -1.09 -0.01 0.00 -0.03 0.00 0.00 56.01 54.88 1x4b n LEU 35 Cb 0.00 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1x4b n LEU 35 CO 0.00 0.44 -0.01 -0.24 -1.33 0.00 0.00 177.39 176.25 1x4b n SER 36 N 0.83 -5.49 0.00 -1.43 2.88 -1.26 -1.29 113.62 107.86 1x4b n SER 36 Ca 0.09 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1x4b n SER 36 Cb 0.38 -3.07 0.00 0.00 -0.75 0.00 0.00 64.21 60.77 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 -2.18 0.00 0.00 0.66 3.72 -1.26 -4.82 117.46 113.58 1x4b n PHE 37 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1x4b n PHE 37 Cb 0.43 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 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 0.00 -1.25 -1.08 1.02 -0.41 -4.71 120.64 112.21 1x4b n GLU 38 Ca 0.00 0.12 -0.33 0.00 -0.02 0.00 0.00 57.16 56.94 1x4b n GLU 38 Cb 0.00 -0.61 -0.13 0.00 -0.02 0.00 0.00 31.44 30.68 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 -2.32 0.00 -0.64 2.62 -1.04 -0.86 -4.85 114.28 107.19 1x4b n THR 39 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1x4b n THR 39 Cb 0.00 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 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 6.10 0.00 0.27 12.58 -2.24 -1.26 -4.67 114.28 125.05 1x4b n THR 40 Ca 0.55 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 62.17 1x4b n THR 40 Cb 0.03 -1.86 -0.08 0.00 -2.10 0.00 0.00 70.33 66.32 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 -0.61 0.59 -0.78 5.08 -1.91 -0.82 114.58 116.12 1x4b h GLU 41 Ca 0.00 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1x4b h GLU 41 Cb 0.00 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1x4b h GLU 41 CO 0.00 -0.37 -0.31 0.93 -1.00 0.00 0.00 179.01 178.26 1x4b h GLU 42 N -0.71 -0.79 -0.99 2.33 5.08 -1.93 0.54 114.58 118.10 1x4b h GLU 42 Ca -0.07 0.05 0.21 0.00 -1.00 0.00 0.00 59.36 58.56 1x4b h GLU 42 Cb 0.53 0.18 -0.19 0.00 0.50 0.00 0.00 28.75 29.77 1x4b h GLU 42 CO 0.11 -0.53 -0.20 0.43 -1.00 0.00 0.00 179.01 177.82 1x4b n SER 43 N -4.30 -0.32 -0.18 1.42 7.64 -1.24 0.20 113.62 116.84 1x4b n SER 43 Ca -0.10 1.70 -0.07 0.00 1.01 0.00 0.00 58.87 61.41 1x4b n SER 43 Cb 0.33 -0.53 0.02 0.00 -1.01 0.00 0.00 64.21 63.02 1x4b n SER 43 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1x4b h LEU 44 N 0.00 0.58 0.72 -3.43 5.85 -0.93 -2.36 115.31 115.75 1x4b h LEU 44 Ca 0.50 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.17 1x4b h LEU 44 Cb 0.81 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.70 1x4b h LEU 44 CO -1.00 0.42 -0.35 0.03 -0.34 0.00 0.00 178.44 177.20 1x4b h ARG 45 N 0.69 -0.94 -1.43 1.25 3.08 0.45 0.87 114.38 118.36 1x4b h ARG 45 Ca 0.19 0.06 0.41 0.00 0.07 0.00 0.00 59.98 60.72 1x4b h ARG 45 Cb -0.07 0.21 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 1x4b h ARG 45 CO -0.05 -0.60 1.20 -0.97 -1.07 0.00 0.00 179.97 178.48 1x4b h ASN 46 N -1.10 0.00 0.03 7.04 -1.24 0.10 1.89 115.58 122.30 1x4b h ASN 46 Ca -0.10 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.62 1x4b h ASN 46 Cb 0.77 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.78 1x4b h ASN 46 CO 0.16 0.00 -1.62 0.00 -1.29 0.00 0.00 177.43 174.68 1x4b n TYR 47 N -3.73 0.93 0.20 0.67 9.36 -0.83 -4.15 117.16 119.61 1x4b n TYR 47 Ca 0.32 0.34 -0.02 0.00 3.32 0.00 0.00 57.90 61.86 1x4b n TYR 47 Cb 1.64 -1.10 0.13 0.00 -0.63 0.00 0.00 39.34 39.38 1x4b n TYR 47 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1x4b n TYR 48 N -4.16 0.97 0.37 2.98 4.01 0.30 -3.53 117.16 118.11 1x4b n TYR 48 Ca -0.35 -0.55 0.11 0.00 -0.16 0.00 0.00 57.90 56.94 1x4b n TYR 48 Cb 0.80 -0.36 -0.14 0.00 -0.31 0.00 0.00 39.34 39.33 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 0.11 0.41 0.19 -0.72 1.02 0.59 -4.07 120.64 118.16 1x4b n GLU 49 Ca 0.16 -0.11 -0.08 0.00 -0.02 0.00 0.00 57.16 57.10 1x4b n GLU 49 Cb 0.75 -1.52 -0.04 0.00 -0.02 0.00 0.00 31.44 30.61 1x4b n GLU 49 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1x4b h GLN 50 N 0.00 -0.52 -0.74 3.49 4.20 -1.79 -3.26 115.11 116.49 1x4b h GLN 50 Ca 0.00 0.04 0.16 0.00 0.06 0.00 0.00 58.65 58.90 1x4b h GLN 50 Cb 0.81 0.12 -0.11 0.00 0.30 0.00 0.00 27.48 28.60 1x4b h GLN 50 CO 0.00 -0.35 0.22 -1.49 -0.67 0.00 0.00 178.83 176.54 1x4b h TRP 51 N -1.03 0.35 -1.95 2.96 6.55 -1.82 -3.45 115.95 117.56 1x4b h TRP 51 Ca -0.06 0.04 0.25 0.00 0.95 0.00 0.00 58.89 60.07 1x4b h TRP 51 Cb 0.41 -0.04 -0.10 0.00 -0.86 0.00 0.00 29.16 28.58 1x4b h TRP 51 CO 0.01 -0.05 0.65 0.20 -1.05 0.00 0.00 178.44 178.20 1x4b s GLY 52 N -3.52 -0.30 -0.24 1.49 0.00 -1.23 -4.57 107.32 98.95 1x4b s GLY 52 Ca -0.13 0.36 -0.22 0.00 0.00 0.00 0.00 44.72 44.73 1x4b s GLY 52 CO 0.76 0.21 0.69 0.54 0.00 0.00 0.00 173.10 175.30 1x4b s LYS 53 N -2.85 4.15 -0.29 2.90 1.02 -1.26 -3.61 119.74 119.80 1x4b s LYS 53 Ca 0.14 0.68 -0.29 0.00 0.02 0.00 0.00 55.97 56.52 1x4b s LYS 53 Cb 0.01 -3.63 0.01 0.00 -0.52 0.00 0.00 37.83 33.69 1x4b s LYS 53 CO -0.00 -0.41 1.22 -0.51 -0.92 0.00 0.00 175.35 174.72 1x4b s LEU 54 N 2.49 3.93 0.45 3.17 1.43 -1.26 -2.05 118.68 126.84 1x4b s LEU 54 Ca 0.29 1.20 0.29 0.00 -1.03 0.00 0.00 54.13 54.88 1x4b s LEU 54 Cb -0.16 -3.54 0.96 0.00 0.03 0.00 0.00 46.19 43.48 1x4b s LEU 54 CO 0.09 -0.97 1.82 0.71 0.23 0.00 0.00 176.35 178.22 1x4b h THR 55 N 5.83 0.00 -2.23 5.49 1.35 0.17 -3.42 112.91 120.09 1x4b h THR 55 Ca -0.24 -0.63 -0.03 0.00 -0.55 0.00 0.00 66.41 64.97 1x4b h THR 55 Cb 1.08 1.59 -0.25 0.00 -1.73 0.00 0.00 68.15 68.85 1x4b h THR 55 CO 1.03 0.00 -0.28 -0.62 -0.25 0.00 0.00 175.52 175.39 1x4b s ASP 56 N -5.59 -0.60 -0.17 5.36 2.15 -1.15 -4.99 116.67 111.69 1x4b s ASP 56 Ca 0.04 1.16 0.00 0.00 0.43 0.00 0.00 52.55 54.19 1x4b s ASP 56 Cb 0.08 1.72 0.03 0.00 -0.30 0.00 0.00 42.92 44.46 1x4b s ASP 56 CO 0.57 -0.23 -0.11 0.00 -0.17 0.00 0.00 175.17 175.23 1x4b s VAL 58 N 1.49 1.37 -0.22 0.00 1.01 -0.45 -4.93 120.40 118.68 1x4b s VAL 58 Ca 0.02 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1x4b s VAL 58 Cb -0.14 -1.16 0.05 0.00 0.00 0.00 0.00 36.38 35.13 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 -0.49 1.70 0.67 2.92 0.11 -1.26 0.43 120.40 124.49 1x4b s VAL 59 Ca 0.06 -1.15 -0.16 0.00 -2.93 0.00 0.00 61.98 57.80 1x4b s VAL 59 Cb -0.07 -1.82 0.01 0.00 -1.53 0.00 0.00 36.38 32.97 1x4b s VAL 59 CO -0.00 0.09 1.19 -0.04 -3.33 0.00 0.00 175.10 173.00 1x4b s MET 60 N 1.35 2.54 0.05 1.54 -1.94 0.24 -4.91 119.30 118.17 1x4b s MET 60 Ca -0.03 1.71 -0.01 0.00 -1.71 0.00 0.00 55.69 55.65 1x4b s MET 60 Cb -0.17 -1.89 -0.04 0.00 2.01 0.00 0.00 34.83 34.74 1x4b s MET 60 CO -0.07 -1.51 -0.03 1.03 -0.01 0.00 0.00 175.02 174.43 1x4b s ARG 61 N -3.75 0.59 0.10 2.03 0.52 -1.26 -1.16 118.95 116.01 1x4b s ARG 61 Ca 0.74 -1.17 -0.31 0.00 -0.52 0.00 0.00 55.73 54.47 1x4b s ARG 61 Cb -0.28 0.20 -0.08 0.00 0.52 0.00 0.00 34.95 35.31 1x4b s ARG 61 CO 0.40 -0.11 1.50 -0.51 0.02 0.00 0.00 175.30 176.61 1x4b s ASP 62 N -2.80 6.71 0.48 0.23 1.01 -1.26 -4.61 116.67 116.43 1x4b s ASP 62 Ca 0.05 2.41 0.27 0.00 0.71 0.00 0.00 52.55 55.99 1x4b s ASP 62 Cb 0.06 -2.58 0.81 0.00 1.01 0.00 0.00 42.92 42.23 1x4b s ASP 62 CO -0.09 -0.76 1.78 1.55 0.21 0.00 0.00 175.17 177.85 1x4b h PRO 63 N 7.32 0.00 0.04 8.23 0.13 -1.97 1.10 132.00 146.85 1x4b h PRO 63 Ca -0.42 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.34 1x4b h PRO 63 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 1x4b h PRO 63 CO 0.90 0.05 -2.17 0.00 -0.23 0.00 0.00 178.00 176.55 1x4b n ALA 64 N -2.11 1.13 0.01 -0.56 0.00 -1.26 -4.49 120.51 113.23 1x4b n ALA 64 Ca 0.02 -0.86 -0.18 0.00 0.00 0.00 0.00 53.44 52.42 1x4b n ALA 64 Cb 0.44 -0.30 -0.12 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.30 0.46 -0.90 0.00 0.02 -1.96 -3.48 113.55 107.40 1x4b h SER 65 Ca -0.52 -0.84 -0.08 0.00 -0.84 0.00 0.00 61.79 59.52 1x4b h SER 65 Cb 1.81 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.21 1x4b h SER 65 CO -0.11 1.25 -0.11 1.17 -1.14 0.00 0.00 176.83 177.89 1x4b n LYS 66 N -4.23 -0.61 0.00 3.45 3.00 0.38 -4.98 118.16 115.18 1x4b n LYS 66 Ca -0.11 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1x4b n LYS 66 Cb 0.70 -3.70 0.00 0.00 0.00 0.00 0.00 35.03 32.03 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 -1.36 0.00 -3.56 1.64 1.74 -1.24 -4.91 116.66 108.97 1x4b n ARG 67 Ca -0.03 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.87 1x4b n ARG 67 Cb 0.53 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.90 1x4b n ARG 67 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1x4b s SER 68 N 0.51 -0.61 -0.01 0.55 1.04 -1.26 -4.57 113.70 109.34 1x4b s SER 68 Ca 0.00 0.69 0.15 0.00 0.48 0.00 0.00 55.95 57.27 1x4b s SER 68 Cb 0.00 0.57 -0.19 0.00 0.10 0.00 0.00 66.02 66.50 1x4b s SER 68 CO 0.00 -0.57 0.67 0.54 0.98 0.00 0.00 173.24 174.86 1x4b n ARG 69 N 1.07 0.63 -0.15 4.02 5.12 -0.31 -3.99 116.66 123.05 1x4b n ARG 69 Ca -0.19 0.22 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1x4b n ARG 69 Cb 0.57 -1.76 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 1x4b n ARG 69 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x4b n GLY 70 N 1.49 0.91 3.42 -0.13 0.00 -1.26 -4.83 105.19 104.79 1x4b n GLY 70 Ca -0.15 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.47 0.00 1.61 -0.12 -1.26 0.42 117.98 116.16 1x4b s PHE 71 Ca 0.00 0.62 0.00 0.00 -0.05 0.00 0.00 56.93 57.50 1x4b s PHE 71 Cb 0.00 0.35 0.00 0.00 -0.63 0.00 0.00 43.02 42.74 1x4b s PHE 71 CO 0.00 -0.63 0.00 0.41 -0.05 0.00 0.00 175.22 174.95 1x4b n GLY 72 N 0.56 2.50 3.35 1.99 0.00 0.06 -0.59 105.19 113.06 1x4b n GLY 72 Ca -0.19 -0.87 -0.23 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 -5.57 1.92 -0.22 1.61 0.08 0.17 0.05 117.98 116.03 1x4b s PHE 73 Ca 0.00 -0.44 -0.04 0.00 0.12 0.00 0.00 56.93 56.57 1x4b s PHE 73 Cb 0.00 -0.96 0.09 0.00 -0.57 0.00 0.00 43.02 41.59 1x4b s PHE 73 CO 0.00 0.37 0.20 0.14 -0.10 0.00 0.00 175.22 175.83 1x4b s VAL 74 N -1.96 -0.28 -0.48 -0.44 -7.23 -0.15 -1.34 120.40 108.51 1x4b s VAL 74 Ca 0.17 -0.22 -0.19 0.00 -1.81 0.00 0.00 61.98 59.93 1x4b s VAL 74 Cb -0.06 -0.72 0.05 0.00 0.56 0.00 0.00 36.38 36.20 1x4b s VAL 74 CO 0.07 -0.29 0.59 -0.89 -0.31 0.00 0.00 175.10 174.27 1x4b s THR 75 N 2.29 4.92 1.00 5.32 2.01 0.67 -2.29 115.64 129.56 1x4b s THR 75 Ca 0.07 -0.42 -0.14 0.00 0.31 0.00 0.00 61.69 61.51 1x4b s THR 75 Cb -0.16 -4.24 0.19 0.00 0.01 0.00 0.00 72.50 68.30 1x4b s THR 75 CO -0.16 -0.71 1.14 -0.36 -0.69 0.00 0.00 174.62 173.84 1x4b s PHE 76 N 2.53 1.92 0.04 4.92 0.08 -1.23 0.18 117.98 126.42 1x4b s PHE 76 Ca 0.15 0.76 -0.01 0.00 0.12 0.00 0.00 56.93 57.95 1x4b s PHE 76 Cb -0.18 -3.44 -0.27 0.00 -0.57 0.00 0.00 43.02 38.56 1x4b s PHE 76 CO 0.13 -2.85 1.00 1.03 -0.10 0.00 0.00 175.22 174.43 1x4b h SER 77 N -1.84 0.32 -2.77 1.36 0.87 -1.77 -3.40 113.55 106.31 1x4b h SER 77 Ca -0.50 -0.40 -0.53 0.00 -1.23 0.00 0.00 61.79 59.13 1x4b h SER 77 Cb 1.32 -0.11 -0.14 0.00 -0.44 0.00 0.00 62.40 63.04 1x4b h SER 77 CO 0.53 1.33 -0.59 -0.44 -0.53 0.00 0.00 176.83 177.13 1x4b s SER 78 N -6.95 2.80 0.03 6.23 0.01 -1.26 -5.05 113.70 109.51 1x4b s SER 78 Ca -0.06 -1.44 0.13 0.00 1.31 0.00 0.00 55.95 55.89 1x4b s SER 78 Cb 0.07 0.01 -0.18 0.00 0.21 0.00 0.00 66.02 66.13 1x4b s SER 78 CO 0.86 -0.65 0.84 -0.03 0.41 0.00 0.00 173.24 174.67 1x4b h MET 79 N 1.95 0.00 0.58 12.44 4.05 -1.97 -3.31 114.93 128.67 1x4b h MET 79 Ca -0.41 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 58.99 1x4b h MET 79 Cb 1.25 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.06 1x4b h MET 79 CO 0.70 0.51 -0.28 0.00 0.23 0.00 0.00 176.91 178.06 1x4b h ALA 80 N 1.15 -1.14 -0.52 0.39 0.00 -1.97 0.35 119.26 117.52 1x4b h ALA 80 Ca -0.19 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.60 1x4b h ALA 80 Cb 1.82 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 19.84 1x4b h ALA 80 CO 0.08 -1.08 -0.46 0.93 0.00 0.00 0.00 179.25 178.71 1x4b h GLU 81 N -0.83 -0.19 -0.59 0.00 4.39 -1.81 0.48 114.58 116.04 1x4b h GLU 81 Ca -0.08 0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.75 1x4b h GLU 81 Cb 0.60 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.20 1x4b h GLU 81 CO 0.13 -0.13 0.08 -0.24 -1.16 0.00 0.00 179.01 177.70 1x4b h VAL 82 N -0.20 0.59 -0.27 3.13 3.04 -1.64 0.94 116.25 121.85 1x4b h VAL 82 Ca 0.09 -0.07 0.08 0.00 -1.01 0.00 0.00 66.70 65.78 1x4b h VAL 82 Cb 0.42 0.38 -0.01 0.00 -2.01 0.00 0.00 31.29 30.07 1x4b h VAL 82 CO -0.59 0.04 0.25 0.44 -1.01 0.00 0.00 177.57 176.69 1x4b h ASP 83 N 0.20 0.00 0.39 3.17 5.19 0.29 -1.67 116.42 123.99 1x4b h ASP 83 Ca 0.31 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.70 1x4b h ASP 83 Cb 0.48 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.99 1x4b h ASP 83 CO -0.44 0.00 -0.19 0.00 -3.12 0.00 0.00 179.24 175.49 1x4b h ALA 84 N 1.75 -0.58 -0.93 3.45 0.00 0.53 -3.02 119.26 120.46 1x4b h ALA 84 Ca 0.13 -0.12 0.26 0.00 0.00 0.00 0.00 54.91 55.18 1x4b h ALA 84 Cb 0.63 0.21 -0.16 0.00 0.00 0.00 0.00 17.79 18.46 1x4b h ALA 84 CO -0.00 -0.54 0.13 0.00 0.00 0.00 0.00 179.25 178.84 1x4b h ALA 85 N -1.25 1.23 -0.43 0.00 0.00 -0.58 0.60 119.26 118.82 1x4b h ALA 85 Ca -0.05 0.29 0.09 0.00 0.00 0.00 0.00 54.91 55.23 1x4b h ALA 85 Cb 0.41 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 18.58 1x4b h ALA 85 CO 0.09 -0.55 -0.14 0.52 0.00 0.00 0.00 179.25 179.17 1x4b h MET 86 N 0.08 -0.04 -2.01 0.00 2.07 -1.35 -0.90 114.93 112.78 1x4b h MET 86 Ca 0.58 0.00 -0.68 0.00 -2.07 0.00 0.00 59.70 57.53 1x4b h MET 86 Cb 1.21 0.01 -0.24 0.00 -1.87 0.00 0.00 31.60 30.71 1x4b h MET 86 CO -0.80 -0.02 0.87 0.00 1.07 0.00 0.00 176.91 178.02 1x4b n ALA 87 N -2.81 6.50 -2.80 6.32 0.00 0.20 -4.30 120.51 123.62 1x4b n ALA 87 Ca 0.03 -3.79 -0.02 0.00 0.00 0.00 0.00 53.44 49.66 1x4b n ALA 87 Cb 0.26 -2.06 0.05 0.00 0.00 0.00 0.00 19.45 17.70 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 -0.05 2.71 -2.52 0.00 0.00 -0.34 -4.96 120.51 115.35 1x4b n ALA 88 Ca 0.52 -2.70 -0.27 0.00 0.00 0.00 0.00 53.44 50.99 1x4b n ALA 88 Cb 0.33 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 1x4b n ALA 88 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x4b s ARG 89 N -3.46 3.59 0.41 0.00 0.52 -1.26 -4.39 118.95 114.36 1x4b s ARG 89 Ca 0.26 -0.05 -0.07 0.00 -0.52 0.00 0.00 55.73 55.35 1x4b s ARG 89 Cb 0.35 -2.61 0.10 0.00 0.52 0.00 0.00 34.95 33.31 1x4b s ARG 89 CO -0.03 0.14 0.46 -0.35 0.02 0.00 0.00 175.30 175.54 1x4b n PRO 90 N -1.32 -1.14 -3.89 3.54 -0.04 -1.26 -5.14 135.00 125.75 1x4b n PRO 90 Ca -0.02 -0.72 -0.29 0.00 -0.04 0.00 0.00 63.50 62.43 1x4b n PRO 90 Cb 0.55 -0.56 -0.16 0.00 -0.04 0.00 0.00 33.50 33.28 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 -1.92 1.87 -0.23 0.54 3.76 -1.24 -5.08 115.29 112.98 1x4b s HIS 91 Ca 0.28 -1.30 -0.07 0.00 -0.15 0.00 0.00 55.06 53.82 1x4b s HIS 91 Cb -0.02 -1.38 -0.03 0.00 1.11 0.00 0.00 32.58 32.27 1x4b s HIS 91 CO 0.20 -0.67 0.05 -1.54 -0.85 0.00 0.00 174.74 171.92 1x4b s SER 92 N 1.58 5.06 -0.07 1.40 1.04 -1.26 -0.21 113.70 121.25 1x4b s SER 92 Ca -0.02 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1x4b s SER 92 Cb -0.17 -1.89 0.02 0.00 0.10 0.00 0.00 66.02 64.08 1x4b s SER 92 CO -0.07 0.01 -0.05 -0.63 0.98 0.00 0.00 173.24 173.48 1x4b s ILE 93 N 1.36 0.66 -1.34 -1.02 1.01 0.23 -4.72 121.20 117.37 1x4b s ILE 93 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.57 1x4b s ILE 93 Cb -0.15 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.62 1x4b s ILE 93 CO 0.03 0.28 0.00 -0.67 0.00 0.00 0.00 174.94 174.57 1x4b n ASP 94 N 4.49 -5.64 0.00 3.58 2.03 -1.26 0.28 116.55 120.03 1x4b n ASP 94 Ca -0.17 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1x4b n ASP 94 Cb 0.51 -4.26 0.00 0.00 -0.72 0.00 0.00 41.12 36.65 1x4b n ASP 94 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x4b n GLY 95 N 0.07 0.69 3.61 0.27 0.00 -1.26 -5.06 105.19 103.49 1x4b n GLY 95 Ca -0.13 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 1x4b n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4b s ARG 96 N -0.87 2.78 -1.31 1.61 1.81 0.14 -5.03 118.95 118.07 1x4b s ARG 96 Ca 0.00 -0.54 -0.14 0.00 -1.72 0.00 0.00 55.73 53.33 1x4b s ARG 96 Cb 0.00 -2.62 0.11 0.00 -0.45 0.00 0.00 34.95 31.98 1x4b s ARG 96 CO 0.00 0.67 1.80 0.28 -0.68 0.00 0.00 175.30 177.36 1x4b n VAL 97 N 2.12 3.99 -1.44 3.52 0.31 -1.26 -0.60 118.33 124.97 1x4b n VAL 97 Ca -0.18 -4.08 -0.31 0.00 -0.01 0.00 0.00 64.34 59.77 1x4b n VAL 97 Cb 0.53 -2.44 0.07 0.00 -0.91 0.00 0.00 33.84 31.09 1x4b n VAL 97 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1x4b s VAL 98 N 2.62 3.68 -0.22 2.52 -7.23 0.71 -4.94 120.40 117.54 1x4b s VAL 98 Ca 0.47 0.55 -0.02 0.00 -1.81 0.00 0.00 61.98 61.16 1x4b s VAL 98 Cb 0.06 -3.18 0.07 0.00 0.56 0.00 0.00 36.38 33.88 1x4b s VAL 98 CO 0.01 -0.71 0.03 -1.61 -0.31 0.00 0.00 175.10 172.51 1x4b s GLU 99 N -4.99 0.78 0.49 4.82 2.02 0.12 -3.61 118.70 118.33 1x4b s GLU 99 Ca 0.59 -0.58 -0.20 0.00 0.02 0.00 0.00 54.97 54.81 1x4b s GLU 99 Cb -0.15 -2.14 -0.08 0.00 0.10 0.00 0.00 34.13 31.85 1x4b s GLU 99 CO 0.55 -0.69 1.04 -1.25 0.02 0.00 0.00 175.26 174.94 1x4b s PRO 100 N 1.77 3.77 0.02 0.39 0.04 -1.26 -1.14 135.00 138.60 1x4b s PRO 100 Ca -0.00 1.35 0.02 0.00 0.04 0.00 0.00 61.00 62.41 1x4b s PRO 100 Cb -0.17 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 1x4b s PRO 100 CO -0.10 -0.45 -0.07 0.15 0.04 0.00 0.00 177.00 176.56 1x4b s LYS 101 N -3.29 0.53 0.00 4.56 -0.14 0.15 -4.86 119.74 116.68 1x4b s LYS 101 Ca 0.67 -0.53 0.09 0.00 -1.36 0.00 0.00 55.97 54.84 1x4b s LYS 101 Cb -0.16 -0.40 0.42 0.00 -1.68 0.00 0.00 37.83 36.00 1x4b s LYS 101 CO 0.21 0.09 1.27 2.89 -0.76 0.00 0.00 175.35 179.06 1x4b n ARG 102 N 2.10 0.03 0.00 1.68 1.85 -1.26 0.58 116.66 121.63 1x4b n ARG 102 Ca -0.18 0.31 0.00 0.00 -1.00 0.00 0.00 57.85 56.97 1x4b n ARG 102 Cb 0.56 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.47 1x4b n ARG 102 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1x4b n ALA 103 N -1.45 0.00 -1.00 2.89 0.00 -1.26 -4.35 120.51 115.34 1x4b n ALA 103 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1x4b n ALA 103 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1x4b n ALA 103 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1x4b n VAL 104 N 0.00 0.00 -1.35 0.00 0.31 -1.26 -4.90 118.33 111.12 1x4b n VAL 104 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 1x4b n VAL 104 Cb 0.00 -0.88 -0.02 0.00 -0.91 0.00 0.00 33.84 32.03 1x4b n VAL 104 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x4b n ALA 105 N -3.00 -2.06 -1.36 3.52 0.00 -1.26 -4.67 120.51 111.68 1x4b n ALA 105 Ca 0.00 0.17 -0.37 0.00 0.00 0.00 0.00 53.44 53.24 1x4b n ALA 105 Cb 0.00 -0.65 0.06 0.00 0.00 0.00 0.00 19.45 18.86 1x4b n ALA 105 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1x4b n ARG 106 N -2.08 0.43 -1.54 0.00 1.85 -1.26 -4.87 116.66 109.18 1x4b n ARG 106 Ca 0.00 0.18 -0.37 0.00 -1.00 0.00 0.00 57.85 56.67 1x4b n ARG 106 Cb 0.25 -1.83 0.07 0.00 -1.05 0.00 0.00 32.46 29.89 1x4b n ARG 106 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1x4b n GLU 107 N -0.57 0.75 -3.73 2.89 0.28 -1.26 -5.02 120.64 113.98 1x4b n GLU 107 Ca 0.11 0.30 -0.15 0.00 -0.16 0.00 0.00 57.16 57.26 1x4b n GLU 107 Cb 0.49 -2.19 -0.16 0.00 1.43 0.00 0.00 31.44 31.01 1x4b n GLU 107 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1x4b s GLU 108 N -2.98 0.02 0.55 3.44 2.12 -1.26 -5.00 118.70 115.60 1x4b s GLU 108 Ca 0.76 0.35 0.00 0.00 0.36 0.00 0.00 54.97 56.44 1x4b s GLU 108 Cb -0.39 -0.26 0.00 0.00 0.26 0.00 0.00 34.13 33.74 1x4b s GLU 108 CO 0.47 -0.21 0.00 0.45 -0.54 0.00 0.00 175.26 175.43 1x4b n SER 109 N 4.54 0.00 0.00 -1.70 2.88 -1.26 -4.78 113.62 113.30 1x4b n SER 109 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1x4b n SER 109 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1x4b n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4b n GLY 110 N 0.00 -0.16 0.00 0.46 0.00 -1.26 -5.17 105.19 99.06 1x4b n GLY 110 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1x4b n GLY 110 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x4b n SER 111 N 0.00 0.00 -3.85 1.61 3.41 -1.26 -5.14 113.62 108.39 1x4b n SER 111 Ca 0.00 -0.72 -0.30 0.00 -0.26 0.00 0.00 58.87 57.59 1x4b n SER 111 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 1x4b n SER 111 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x4b s GLY 112 N -0.72 1.39 0.24 5.00 0.00 -1.26 -5.11 107.32 106.86 1x4b s GLY 112 Ca 0.00 -1.94 -0.30 0.00 0.00 0.00 0.00 44.72 42.49 1x4b s GLY 112 CO 0.00 1.33 1.09 2.56 0.00 0.00 0.00 173.10 178.08 1x4b s PRO 113 N 1.35 4.63 -0.38 2.90 0.04 -1.26 -5.02 135.00 137.27 1x4b s PRO 113 Ca 0.09 1.76 0.02 0.00 0.04 0.00 0.00 61.00 62.91 1x4b s PRO 113 Cb -0.18 -3.22 0.11 0.00 0.04 0.00 0.00 34.50 31.25 1x4b s PRO 113 CO -0.18 0.18 0.14 0.45 0.04 0.00 0.00 177.00 177.64 1x4b s SER 114 N -0.63 4.13 0.08 6.66 0.15 -1.26 -5.11 113.70 117.73 1x4b s SER 114 Ca 0.46 -2.20 -0.10 0.00 0.70 0.00 0.00 55.95 54.81 1x4b s SER 114 Cb -0.31 -1.18 -0.06 0.00 -1.71 0.00 0.00 66.02 62.76 1x4b s SER 114 CO 0.38 -0.34 0.41 -0.55 1.20 0.00 0.00 173.24 174.34 1x4b s SER 115 N 0.87 6.64 0.00 5.45 0.15 -1.26 -5.23 113.70 120.32 1x4b s SER 115 Ca 0.13 0.80 0.17 0.00 0.70 0.00 0.00 55.95 57.75 1x4b s SER 115 Cb -0.21 -2.18 0.14 0.00 -1.71 0.00 0.00 66.02 62.06 1x4b s SER 115 CO -0.11 0.17 1.05 0.61 1.20 0.00 0.00 173.24 176.16