#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 -0.16 -0.10 1.61 0.01 -1.26 -5.19 113.70 108.62 1x4b s SER 2 Ca 0.00 0.13 -0.30 0.00 1.31 0.00 0.00 55.95 57.09 1x4b s SER 2 Cb 0.00 0.14 0.11 0.00 0.21 0.00 0.00 66.02 66.48 1x4b s SER 2 CO 0.00 -0.18 0.94 -0.94 0.41 0.00 0.00 173.24 173.47 1x4b s SER 3 N -1.37 -0.39 0.00 2.44 1.04 -1.26 -5.11 113.70 109.05 1x4b s SER 3 Ca 0.06 0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.80 1x4b s SER 3 Cb -0.01 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1x4b s SER 3 CO -0.04 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1x4b n GLY 4 N 0.45 -2.11 1.51 7.32 0.00 -1.26 -5.16 105.19 105.94 1x4b n GLY 4 Ca -0.11 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1x4b n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4b n SER 5 N -0.91 -7.13 -3.59 1.61 7.64 -1.26 -5.10 113.62 104.87 1x4b n SER 5 Ca 0.00 0.98 -0.05 0.00 1.01 0.00 0.00 58.87 60.81 1x4b n SER 5 Cb 0.00 -3.69 -0.02 0.00 -1.01 0.00 0.00 64.21 59.48 1x4b n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4b s SER 6 N -0.89 -0.15 0.00 6.43 0.15 -1.26 -5.17 113.70 112.81 1x4b s SER 6 Ca 0.00 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1x4b s SER 6 Cb 0.00 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1x4b s SER 6 CO 0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1x4b n GLY 7 N -0.01 0.69 3.64 9.45 0.00 -1.26 -5.18 105.19 112.52 1x4b n GLY 7 Ca -0.00 0.55 -0.09 0.00 0.00 0.00 0.00 46.02 46.47 1x4b n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1x4b s MET 8 N 0.00 0.55 0.10 1.61 0.00 -1.26 -5.18 119.30 115.12 1x4b s MET 8 Ca 0.00 0.69 -0.03 0.00 0.00 0.00 0.00 55.69 56.35 1x4b s MET 8 Cb 0.00 0.24 -0.03 0.00 0.00 0.00 0.00 34.83 35.04 1x4b s MET 8 CO 0.00 -0.07 0.08 -1.21 0.00 0.00 0.00 175.02 173.81 1x4b s GLU 9 N 0.46 0.85 0.26 3.16 2.02 -1.26 -5.17 118.70 119.02 1x4b s GLU 9 Ca 0.01 -1.28 -0.22 0.00 0.02 0.00 0.00 54.97 53.50 1x4b s GLU 9 Cb -0.05 0.26 0.03 0.00 0.10 0.00 0.00 34.13 34.47 1x4b s GLU 9 CO -0.07 -0.24 0.76 -1.59 0.02 0.00 0.00 175.26 174.14 1x4b s LYS 10 N -3.97 1.70 -0.05 1.61 -2.85 -1.26 -5.16 119.74 109.76 1x4b s LYS 10 Ca 0.15 -0.94 -0.00 0.00 -1.00 0.00 0.00 55.97 54.18 1x4b s LYS 10 Cb 0.07 0.58 0.03 0.00 -2.06 0.00 0.00 37.83 36.44 1x4b s LYS 10 CO -0.04 -0.78 -0.01 -0.08 0.10 0.00 0.00 175.35 174.55 1x4b s THR 11 N -3.82 0.33 0.16 3.79 -1.32 -1.26 -5.14 115.64 108.37 1x4b s THR 11 Ca 0.11 0.07 0.05 0.00 -1.21 0.00 0.00 61.69 60.72 1x4b s THR 11 Cb -0.05 -0.45 -0.04 0.00 -1.51 0.00 0.00 72.50 70.45 1x4b s THR 11 CO 0.06 0.22 -0.12 -0.76 -2.21 0.00 0.00 174.62 171.81 1x4b s LEU 12 N 1.47 2.52 0.02 9.08 1.43 -1.26 -5.11 118.68 126.83 1x4b s LEU 12 Ca -0.03 -0.99 0.04 0.00 -1.03 0.00 0.00 54.13 52.12 1x4b s LEU 12 Cb -0.13 -0.46 -0.02 0.00 0.03 0.00 0.00 46.19 45.62 1x4b s LEU 12 CO -0.03 -0.26 -0.12 -1.61 0.23 0.00 0.00 176.35 174.56 1x4b s GLU 13 N -3.57 0.86 0.22 1.70 8.01 -1.26 -5.10 118.70 119.55 1x4b s GLU 13 Ca 0.17 -0.57 -0.32 0.00 0.01 0.00 0.00 54.97 54.26 1x4b s GLU 13 Cb 0.01 -0.83 -0.13 0.00 -4.31 0.00 0.00 34.13 28.87 1x4b s GLU 13 CO 0.02 0.21 1.60 -2.37 0.01 0.00 0.00 175.26 174.74 1x4b n THR 14 N 2.31 0.36 -4.02 3.63 5.66 -1.26 -4.41 114.28 116.55 1x4b n THR 14 Ca -0.16 -0.09 -0.31 0.00 -3.05 0.00 0.00 64.05 60.44 1x4b n THR 14 Cb 0.55 -1.75 -0.16 0.00 -1.55 0.00 0.00 70.33 67.42 1x4b n THR 14 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1x4b s VAL 15 N 0.65 1.73 0.54 1.08 -7.23 -1.26 -4.60 120.40 111.31 1x4b s VAL 15 Ca 0.73 -1.05 -0.18 0.00 -1.81 0.00 0.00 61.98 59.67 1x4b s VAL 15 Cb -0.58 -1.78 -0.06 0.00 0.56 0.00 0.00 36.38 34.51 1x4b s VAL 15 CO 0.40 0.19 1.04 -2.16 -0.31 0.00 0.00 175.10 174.27 1x4b s PRO 16 N 1.36 3.59 -0.30 4.82 0.04 -1.26 -5.02 135.00 138.23 1x4b s PRO 16 Ca -0.01 1.26 -0.17 0.00 0.04 0.00 0.00 61.00 62.12 1x4b s PRO 16 Cb -0.16 -2.07 0.19 0.00 0.04 0.00 0.00 34.50 32.50 1x4b s PRO 16 CO -0.08 -0.59 1.19 -0.51 0.04 0.00 0.00 177.00 177.04 1x4b s LEU 17 N -3.98 -0.19 -1.24 -3.56 1.43 -1.26 -5.08 118.68 104.81 1x4b s LEU 17 Ca 0.65 0.30 -0.19 0.00 -1.03 0.00 0.00 54.13 53.86 1x4b s LEU 17 Cb -0.16 1.28 0.04 0.00 0.03 0.00 0.00 46.19 47.39 1x4b s LEU 17 CO 0.28 -0.05 1.73 -1.61 0.23 0.00 0.00 176.35 176.94 1x4b s GLU 18 N 1.04 3.71 0.00 1.70 2.02 -1.26 -4.79 118.70 121.12 1x4b s GLU 18 Ca -0.07 -1.74 0.00 0.00 0.02 0.00 0.00 54.97 53.18 1x4b s GLU 18 Cb -0.03 -5.47 0.00 0.00 0.10 0.00 0.00 34.13 28.73 1x4b s GLU 18 CO -0.11 -2.50 0.00 0.54 0.02 0.00 0.00 175.26 173.20 1x4b n ARG 19 N 8.46 0.00 -0.89 1.61 5.12 -1.26 -5.17 116.66 124.53 1x4b n ARG 19 Ca 0.46 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.49 1x4b n ARG 19 Cb 0.47 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.72 1x4b n ARG 19 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1x4b n LYS 20 N -0.51 -1.97 -1.78 5.56 5.02 -1.26 -5.04 118.16 118.18 1x4b n LYS 20 Ca 0.00 1.52 -0.00 0.00 -2.02 0.00 0.00 58.31 57.81 1x4b n LYS 20 Cb 0.00 -2.33 -0.00 0.00 -0.02 0.00 0.00 35.03 32.68 1x4b n LYS 20 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1x4b n LYS 21 N -3.56 -2.94 -1.32 1.97 4.01 -1.26 -4.97 118.16 110.09 1x4b n LYS 21 Ca -0.04 2.35 -0.32 0.00 -0.51 0.00 0.00 58.31 59.80 1x4b n LYS 21 Cb 0.42 -2.92 0.09 0.00 -0.51 0.00 0.00 35.03 32.10 1x4b n LYS 21 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1x4b s ARG 22 N -1.20 2.25 -0.20 1.97 1.81 -1.26 -4.99 118.95 117.33 1x4b s ARG 22 Ca -0.01 1.27 -0.10 0.00 -1.72 0.00 0.00 55.73 55.17 1x4b s ARG 22 Cb 0.00 -1.89 -0.20 0.00 -0.45 0.00 0.00 34.95 32.41 1x4b s ARG 22 CO 0.02 -1.66 0.07 0.39 -0.68 0.00 0.00 175.30 173.45 1x4b n GLU 23 N -3.33 0.65 -0.10 3.54 1.02 -1.26 -4.10 120.64 117.07 1x4b n GLU 23 Ca 0.10 0.33 -0.14 0.00 -0.02 0.00 0.00 57.16 57.42 1x4b n GLU 23 Cb 0.53 -1.64 -0.05 0.00 -0.02 0.00 0.00 31.44 30.25 1x4b n GLU 23 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1x4b n LYS 24 N -3.84 0.53 -0.32 3.49 0.00 -1.26 -4.41 118.16 112.35 1x4b n LYS 24 Ca -0.39 0.31 0.22 0.00 0.00 0.00 0.00 58.31 58.45 1x4b n LYS 24 Cb 0.91 -1.51 0.44 0.00 0.00 0.00 0.00 35.03 34.86 1x4b n LYS 24 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1x4b h GLU 25 N -1.00 0.18 -1.01 1.64 4.57 -1.97 1.33 114.58 118.33 1x4b h GLU 25 Ca -0.20 -0.01 0.29 0.00 -1.18 0.00 0.00 59.36 58.26 1x4b h GLU 25 Cb 1.09 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.60 1x4b h GLU 25 CO -0.12 0.12 0.97 -0.56 -1.18 0.00 0.00 179.01 178.24 1x4b h GLN 26 N 0.19 0.00 -0.03 1.92 -0.00 -1.77 0.50 115.11 115.92 1x4b h GLN 26 Ca 0.71 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 59.36 1x4b h GLN 26 Cb 1.64 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 29.11 1x4b h GLN 26 CO -0.69 0.00 -0.01 0.74 -0.00 0.00 0.00 178.83 178.87 1x4b h PHE 27 N 0.00 -0.02 -1.18 0.06 -1.00 0.15 -3.08 116.94 111.88 1x4b h PHE 27 Ca 0.48 0.00 -0.60 0.00 2.81 0.00 0.00 57.97 60.66 1x4b h PHE 27 Cb 2.41 0.01 -0.39 0.00 3.61 0.00 0.00 35.95 41.60 1x4b h PHE 27 CO 0.00 -0.02 -0.35 0.54 -1.61 0.00 0.00 178.31 176.87 1x4b n ARG 28 N -5.11 3.34 -4.14 1.51 3.00 0.17 -4.97 116.66 110.46 1x4b n ARG 28 Ca -0.06 -4.09 -0.29 0.00 -0.01 0.00 0.00 57.85 53.39 1x4b n ARG 28 Cb 0.05 -2.27 -0.17 0.00 0.00 0.00 0.00 32.46 30.07 1x4b n ARG 28 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1x4b s LYS 29 N -3.66 2.13 0.12 5.56 2.20 -0.54 -2.95 119.74 122.59 1x4b s LYS 29 Ca 0.52 -0.50 0.10 0.00 -0.36 0.00 0.00 55.97 55.73 1x4b s LYS 29 Cb 0.42 -1.94 -0.04 0.00 -1.51 0.00 0.00 37.83 34.77 1x4b s LYS 29 CO -0.09 -0.19 -0.25 -0.51 -0.36 0.00 0.00 175.35 173.95 1x4b s LEU 30 N 1.36 2.38 -0.39 5.43 1.02 -1.09 -3.29 118.68 124.10 1x4b s LEU 30 Ca 0.01 -0.69 -0.06 0.00 0.02 0.00 0.00 54.13 53.41 1x4b s LEU 30 Cb -0.13 -1.30 0.08 0.00 0.02 0.00 0.00 46.19 44.86 1x4b s LEU 30 CO -0.07 0.19 0.20 0.12 0.02 0.00 0.00 176.35 176.80 1x4b s PHE 31 N -1.04 3.39 0.02 0.29 2.19 0.17 -1.15 117.98 121.84 1x4b s PHE 31 Ca 0.14 -1.82 -0.28 0.00 0.33 0.00 0.00 56.93 55.31 1x4b s PHE 31 Cb -0.10 -2.87 -0.04 0.00 -1.31 0.00 0.00 43.02 38.70 1x4b s PHE 31 CO 0.06 -0.87 0.88 0.42 1.83 0.00 0.00 175.22 177.54 1x4b s ILE 32 N 1.32 4.81 0.01 3.12 -1.09 0.61 0.40 121.20 130.37 1x4b s ILE 32 Ca 0.03 1.86 0.04 0.00 -2.23 0.00 0.00 60.65 60.35 1x4b s ILE 32 Cb -0.22 -4.23 -0.01 0.00 -1.58 0.00 0.00 42.46 36.42 1x4b s ILE 32 CO -0.00 0.24 -0.13 -0.83 -1.23 0.00 0.00 174.94 173.00 1x4b s GLY 33 N 0.59 0.65 0.00 6.18 0.00 -0.36 -1.57 107.32 112.82 1x4b s GLY 33 Ca 0.46 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1x4b s GLY 33 CO 0.25 -0.56 0.00 0.61 0.00 0.00 0.00 173.10 173.41 1x4b n GLY 34 N 2.48 0.86 1.06 0.20 0.00 -0.96 -0.23 105.19 108.60 1x4b n GLY 34 Ca -0.15 -0.47 0.10 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.88 3.10 0.00 0.99 4.77 0.35 -3.95 117.00 121.37 1x4b n LEU 35 Ca 0.00 -1.50 0.00 0.00 -0.03 0.00 0.00 56.01 54.48 1x4b n LEU 35 Cb 0.31 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1x4b n LEU 35 CO 0.00 0.75 0.00 -0.24 -1.33 0.00 0.00 177.39 176.57 1x4b n SER 36 N 1.20 0.00 0.00 -1.43 2.88 -1.26 -3.31 113.62 111.70 1x4b n SER 36 Ca 0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1x4b n SER 36 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 0.00 0.00 -0.08 0.66 3.72 -1.26 -4.80 117.46 115.70 1x4b n PHE 37 Ca 0.00 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.21 1x4b n PHE 37 Cb 0.00 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.42 1x4b n PHE 37 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1x4b h GLU 38 N 0.00 0.02 -4.22 -1.08 4.39 -1.97 -3.43 114.58 108.29 1x4b h GLU 38 Ca 0.00 -0.03 -0.42 0.00 0.34 0.00 0.00 59.36 59.24 1x4b h GLU 38 Cb 0.00 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.59 1x4b h GLU 38 CO 0.00 1.02 1.49 2.41 -1.16 0.00 0.00 179.01 182.76 1x4b n THR 39 N -4.46 0.00 -2.33 1.13 -1.04 -1.21 -4.85 114.28 101.53 1x4b n THR 39 Ca -0.23 -0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.49 1x4b n THR 39 Cb 0.62 -0.42 0.01 0.00 -1.82 0.00 0.00 70.33 68.72 1x4b n THR 39 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1x4b s THR 40 N 7.55 4.58 0.05 12.58 -4.23 -1.26 -4.76 115.64 130.15 1x4b s THR 40 Ca 1.15 0.39 -0.10 0.00 -1.18 0.00 0.00 61.69 61.95 1x4b s THR 40 Cb -1.06 -3.78 -0.02 0.00 1.34 0.00 0.00 72.50 68.97 1x4b s THR 40 CO 0.41 -0.87 1.05 1.21 -0.54 0.00 0.00 174.62 175.88 1x4b n GLU 41 N -2.50 -0.14 -0.04 3.99 2.13 -1.26 -0.08 120.64 122.74 1x4b n GLU 41 Ca 0.03 1.04 -0.14 0.00 0.66 0.00 0.00 57.16 58.75 1x4b n GLU 41 Cb 0.55 -1.54 -0.09 0.00 0.27 0.00 0.00 31.44 30.63 1x4b n GLU 41 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1x4b h GLU 42 N 0.00 -0.49 -0.94 5.31 4.81 -1.97 -0.94 114.58 120.36 1x4b h GLU 42 Ca 0.05 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.43 1x4b h GLU 42 Cb 0.13 0.11 -0.14 0.00 0.63 0.00 0.00 28.75 29.48 1x4b h GLU 42 CO -0.30 -0.33 -0.48 0.77 -0.73 0.00 0.00 179.01 177.95 1x4b h SER 43 N -0.51 -1.74 -0.42 1.04 0.02 -1.32 0.73 113.55 111.34 1x4b h SER 43 Ca 0.06 0.31 0.09 0.00 -0.84 0.00 0.00 61.79 61.41 1x4b h SER 43 Cb 0.65 0.83 -0.09 0.00 0.14 0.00 0.00 62.40 63.93 1x4b h SER 43 CO -0.48 -0.27 -0.25 0.25 -1.14 0.00 0.00 176.83 174.94 1x4b h LEU 44 N -0.03 -0.84 -0.23 5.07 5.85 0.56 -0.39 115.31 125.30 1x4b h LEU 44 Ca 0.25 0.17 0.05 0.00 0.84 0.00 0.00 57.88 59.19 1x4b h LEU 44 Cb 0.52 0.43 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 1x4b h LEU 44 CO -0.93 -0.27 -0.05 0.03 -0.34 0.00 0.00 178.44 176.88 1x4b h ARG 45 N -0.17 0.00 -0.70 1.25 3.08 0.12 0.37 114.38 118.34 1x4b h ARG 45 Ca 0.20 -0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.45 1x4b h ARG 45 Cb 0.48 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1x4b h ARG 45 CO -0.52 0.00 0.76 -0.97 -1.07 0.00 0.00 179.97 178.17 1x4b h ASN 46 N 0.00 0.00 0.05 7.04 -1.24 0.18 1.45 115.58 123.07 1x4b h ASN 46 Ca 0.11 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.80 1x4b h ASN 46 Cb 0.16 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.18 1x4b h ASN 46 CO -0.23 0.00 -1.77 0.00 -1.29 0.00 0.00 177.43 174.14 1x4b n TYR 47 N -3.57 0.94 0.05 0.67 9.36 0.55 -4.14 117.16 121.02 1x4b n TYR 47 Ca 0.15 0.30 -0.01 0.00 3.32 0.00 0.00 57.90 61.65 1x4b n TYR 47 Cb 1.00 -1.11 0.16 0.00 -0.63 0.00 0.00 39.34 38.76 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 -3.96 1.14 -0.02 2.98 4.02 1.00 -3.63 117.16 118.69 1x4b n TYR 48 Ca -0.35 -0.59 0.06 0.00 -0.01 0.00 0.00 57.90 57.01 1x4b n TYR 48 Cb 0.87 -0.39 -0.16 0.00 -0.02 0.00 0.00 39.34 39.64 1x4b n TYR 48 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1x4b n GLU 49 N 0.12 0.66 0.10 -0.72 1.02 0.47 -3.56 120.64 118.73 1x4b n GLU 49 Ca 0.18 -0.13 -0.05 0.00 -0.02 0.00 0.00 57.16 57.13 1x4b n GLU 49 Cb 0.81 -1.54 0.02 0.00 -0.02 0.00 0.00 31.44 30.71 1x4b n GLU 49 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1x4b h GLN 50 N 0.00 0.06 0.19 3.49 3.07 -1.79 -3.19 115.11 116.94 1x4b h GLN 50 Ca -0.12 -0.06 -0.31 0.00 0.09 0.00 0.00 58.65 58.25 1x4b h GLN 50 Cb 1.28 0.02 0.03 0.00 0.08 0.00 0.00 27.48 28.89 1x4b h GLN 50 CO 0.01 0.85 -1.36 -1.49 0.09 0.00 0.00 178.83 176.93 1x4b h TRP 51 N 0.03 0.87 -1.03 0.06 6.55 -1.79 -3.48 115.95 117.16 1x4b h TRP 51 Ca -0.02 -0.61 0.30 0.00 0.95 0.00 0.00 58.89 59.51 1x4b h TRP 51 Cb 1.44 -0.05 -0.24 0.00 -0.86 0.00 0.00 29.16 29.46 1x4b h TRP 51 CO 0.01 1.47 0.98 0.20 -1.05 0.00 0.00 178.44 180.05 1x4b s GLY 52 N -4.57 -0.06 -0.24 1.49 0.00 -1.20 -4.50 107.32 98.24 1x4b s GLY 52 Ca -0.08 2.35 -0.29 0.00 0.00 0.00 0.00 44.72 46.70 1x4b s GLY 52 CO 0.93 0.85 1.20 0.54 0.00 0.00 0.00 173.10 176.62 1x4b s LYS 53 N -1.58 4.13 -0.57 2.90 1.02 -1.26 -3.80 119.74 120.58 1x4b s LYS 53 Ca 0.11 1.40 -0.28 0.00 0.02 0.00 0.00 55.97 57.22 1x4b s LYS 53 Cb -0.01 -3.77 0.02 0.00 -0.52 0.00 0.00 37.83 33.55 1x4b s LYS 53 CO -0.05 -0.83 1.38 -0.51 -0.92 0.00 0.00 175.35 174.41 1x4b s LEU 54 N 3.70 3.40 0.47 3.17 1.43 -1.26 -2.18 118.68 127.40 1x4b s LEU 54 Ca 0.51 0.23 0.18 0.00 -1.03 0.00 0.00 54.13 54.02 1x4b s LEU 54 Cb -0.17 -3.05 1.12 0.00 0.03 0.00 0.00 46.19 44.11 1x4b s LEU 54 CO 0.15 -1.68 2.01 0.71 0.23 0.00 0.00 176.35 177.77 1x4b h THR 55 N 6.33 1.00 -2.66 5.49 1.35 -0.36 -3.40 112.91 120.65 1x4b h THR 55 Ca -0.27 -0.61 -0.24 0.00 -0.55 0.00 0.00 66.41 64.74 1x4b h THR 55 Cb 1.09 1.34 -0.33 0.00 -1.73 0.00 0.00 68.15 68.51 1x4b h THR 55 CO 1.18 0.17 -0.56 -0.62 -0.25 0.00 0.00 175.52 175.44 1x4b s ASP 56 N -6.79 0.67 -0.09 5.36 -1.08 -1.15 -5.02 116.67 108.57 1x4b s ASP 56 Ca -0.04 0.30 0.02 0.00 -0.52 0.00 0.00 52.55 52.31 1x4b s ASP 56 Cb 0.15 0.63 0.02 0.00 -1.46 0.00 0.00 42.92 42.26 1x4b s ASP 56 CO 0.67 -0.27 -0.12 0.00 0.52 0.00 0.00 175.17 175.96 1x4b s VAL 58 N 0.92 1.31 -0.27 0.00 1.01 -0.37 -4.98 120.40 118.02 1x4b s VAL 58 Ca -0.09 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 1x4b s VAL 58 Cb -0.15 -1.17 0.03 0.00 0.00 0.00 0.00 36.38 35.09 1x4b s VAL 58 CO 0.00 0.39 -0.03 0.54 0.00 0.00 0.00 175.10 176.01 1x4b s VAL 59 N 0.47 3.03 0.46 2.92 0.11 -1.26 0.38 120.40 126.51 1x4b s VAL 59 Ca -0.13 -1.07 -0.23 0.00 -2.93 0.00 0.00 61.98 57.62 1x4b s VAL 59 Cb -0.15 -2.59 -0.07 0.00 -1.53 0.00 0.00 36.38 32.03 1x4b s VAL 59 CO 0.04 0.11 1.19 -0.04 -3.33 0.00 0.00 175.10 173.07 1x4b s MET 60 N 1.33 3.75 0.23 1.54 -1.94 -0.08 -4.92 119.30 119.21 1x4b s MET 60 Ca -0.01 1.84 0.07 0.00 -1.71 0.00 0.00 55.69 55.89 1x4b s MET 60 Cb -0.17 -2.44 -0.05 0.00 2.01 0.00 0.00 34.83 34.17 1x4b s MET 60 CO -0.03 -0.58 -0.11 1.03 -0.01 0.00 0.00 175.02 175.32 1x4b s ARG 61 N -2.65 1.41 0.04 2.03 0.52 -1.26 -0.35 118.95 118.69 1x4b s ARG 61 Ca 0.63 -1.66 -0.30 0.00 -0.52 0.00 0.00 55.73 53.88 1x4b s ARG 61 Cb -0.30 -1.12 -0.06 0.00 0.52 0.00 0.00 34.95 33.99 1x4b s ARG 61 CO 0.37 0.13 1.27 0.34 0.02 0.00 0.00 175.30 177.42 1x4b s ASP 62 N -3.36 6.99 0.06 0.23 -1.08 -1.25 -4.50 116.67 113.75 1x4b s ASP 62 Ca 0.25 2.05 0.23 0.00 -0.52 0.00 0.00 52.55 54.56 1x4b s ASP 62 Cb 0.01 -2.57 0.92 0.00 -1.46 0.00 0.00 42.92 39.82 1x4b s ASP 62 CO 0.09 -0.56 1.71 -0.81 0.52 0.00 0.00 175.17 176.11 1x4b n PRO 63 N 4.40 0.06 -0.07 4.34 -0.04 -1.26 0.17 135.00 142.60 1x4b n PRO 63 Ca 0.10 0.17 -0.09 0.00 -0.04 0.00 0.00 63.50 63.65 1x4b n PRO 63 Cb 0.45 -1.59 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 1x4b n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x4b n ALA 64 N -1.57 1.67 0.06 0.55 0.00 -1.26 -4.63 120.51 115.32 1x4b n ALA 64 Ca 0.05 -0.75 -0.23 0.00 0.00 0.00 0.00 53.44 52.52 1x4b n ALA 64 Cb 0.27 0.07 -0.15 0.00 0.00 0.00 0.00 19.45 19.65 1x4b n ALA 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x4b h SER 65 N 0.00 0.58 -3.99 0.00 0.87 -1.94 -3.48 113.55 105.58 1x4b h SER 65 Ca -0.35 -0.93 -0.25 0.00 -1.23 0.00 0.00 61.79 59.03 1x4b h SER 65 Cb 1.64 -0.19 0.09 0.00 -0.44 0.00 0.00 62.40 63.50 1x4b h SER 65 CO -0.03 1.76 -0.42 0.29 -0.53 0.00 0.00 176.83 177.90 1x4b n LYS 66 N -3.66 -4.93 0.00 2.24 5.02 0.46 -4.92 118.16 112.37 1x4b n LYS 66 Ca -0.25 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1x4b n LYS 66 Cb 1.04 -4.59 0.00 0.00 -0.02 0.00 0.00 35.03 31.46 1x4b n LYS 66 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1x4b n ARG 67 N -3.28 0.00 -3.60 1.97 5.12 -1.25 -4.92 116.66 110.70 1x4b n ARG 67 Ca 0.00 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.80 1x4b n ARG 67 Cb 0.54 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.77 1x4b n ARG 67 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1x4b s SER 68 N -2.81 -0.54 0.02 0.55 0.01 -1.26 -4.69 113.70 104.98 1x4b s SER 68 Ca 0.00 0.85 0.14 0.00 1.31 0.00 0.00 55.95 58.25 1x4b s SER 68 Cb 0.00 0.80 -0.18 0.00 0.21 0.00 0.00 66.02 66.85 1x4b s SER 68 CO 0.00 -0.31 0.80 0.03 0.41 0.00 0.00 173.24 174.17 1x4b h ARG 69 N 3.73 0.00 0.00 12.44 2.47 -0.92 -3.33 114.38 128.77 1x4b h ARG 69 Ca -0.26 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 1x4b h ARG 69 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1x4b h ARG 69 CO 0.20 0.44 0.00 0.41 0.56 0.00 0.00 179.97 181.58 1x4b n GLY 70 N 1.46 0.88 3.51 0.04 0.00 -1.25 -4.89 105.19 104.94 1x4b n GLY 70 Ca -0.12 -0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.64 0.00 1.61 -0.12 -1.26 0.13 117.98 115.70 1x4b s PHE 71 Ca 0.00 1.04 0.00 0.00 -0.05 0.00 0.00 56.93 57.92 1x4b s PHE 71 Cb 0.00 0.43 0.00 0.00 -0.63 0.00 0.00 43.02 42.82 1x4b s PHE 71 CO 0.00 -0.62 0.00 0.41 -0.05 0.00 0.00 175.22 174.96 1x4b n GLY 72 N 0.78 2.78 3.17 1.99 0.00 -0.61 -0.90 105.19 112.40 1x4b n GLY 72 Ca -0.19 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.84 1.45 -0.23 1.61 0.40 0.16 -0.29 117.98 118.24 1x4b s PHE 73 Ca 0.00 -0.33 0.01 0.00 -0.60 0.00 0.00 56.93 56.02 1x4b s PHE 73 Cb 0.00 -0.89 0.06 0.00 0.51 0.00 0.00 43.02 42.70 1x4b s PHE 73 CO 0.00 0.03 -0.07 0.14 0.70 0.00 0.00 175.22 176.02 1x4b s VAL 74 N -0.66 1.64 -0.52 -0.44 -7.23 -0.30 -1.23 120.40 111.66 1x4b s VAL 74 Ca 0.05 -1.26 -0.18 0.00 -1.81 0.00 0.00 61.98 58.78 1x4b s VAL 74 Cb -0.07 -1.86 0.08 0.00 0.56 0.00 0.00 36.38 35.09 1x4b s VAL 74 CO 0.01 -0.06 0.58 -0.89 -0.31 0.00 0.00 175.10 174.43 1x4b s THR 75 N 1.35 4.98 0.98 5.32 2.01 0.14 -2.69 115.64 127.73 1x4b s THR 75 Ca -0.06 -0.86 -0.12 0.00 0.31 0.00 0.00 61.69 60.96 1x4b s THR 75 Cb -0.19 -4.32 0.18 0.00 0.01 0.00 0.00 72.50 68.18 1x4b s THR 75 CO -0.06 -0.85 1.09 -0.36 -0.69 0.00 0.00 174.62 173.75 1x4b s PHE 76 N 2.31 2.11 -0.13 4.92 0.08 -1.15 0.31 117.98 126.43 1x4b s PHE 76 Ca 0.10 1.11 -0.29 0.00 0.12 0.00 0.00 56.93 57.98 1x4b s PHE 76 Cb -0.23 -3.22 -0.26 0.00 -0.57 0.00 0.00 43.02 38.75 1x4b s PHE 76 CO 0.08 -2.80 0.80 1.03 -0.10 0.00 0.00 175.22 174.23 1x4b h SER 77 N -1.84 0.02 -1.07 1.36 0.87 -1.78 -3.40 113.55 107.71 1x4b h SER 77 Ca -0.53 -0.97 -0.61 0.00 -1.23 0.00 0.00 61.79 58.45 1x4b h SER 77 Cb 1.31 -0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.17 1x4b h SER 77 CO 0.56 0.99 -0.48 -0.55 -0.53 0.00 0.00 176.83 176.82 1x4b s SER 78 N -6.22 4.31 0.27 6.23 0.15 -1.26 -5.03 113.70 112.15 1x4b s SER 78 Ca -0.19 -1.31 0.24 0.00 0.70 0.00 0.00 55.95 55.40 1x4b s SER 78 Cb -0.03 -0.03 0.39 0.00 -1.71 0.00 0.00 66.02 64.64 1x4b s SER 78 CO 0.69 -0.72 1.48 -0.03 1.20 0.00 0.00 173.24 175.86 1x4b h MET 79 N 1.32 0.00 0.48 5.44 4.05 -1.96 -3.29 114.93 120.97 1x4b h MET 79 Ca -0.42 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 58.98 1x4b h MET 79 Cb 1.28 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.08 1x4b h MET 79 CO 0.70 0.00 -0.23 0.00 0.23 0.00 0.00 176.91 177.61 1x4b h ALA 80 N 2.23 -0.69 -0.35 0.39 0.00 -1.98 -1.80 119.26 117.05 1x4b h ALA 80 Ca 0.00 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1x4b h ALA 80 Cb 0.89 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 1x4b h ALA 80 CO 0.00 -0.64 -0.47 0.93 0.00 0.00 0.00 179.25 179.07 1x4b h GLU 81 N -1.09 -0.31 -0.67 0.00 5.08 -1.79 0.13 114.58 115.93 1x4b h GLU 81 Ca -0.07 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.45 1x4b h GLU 81 Cb 0.49 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.69 1x4b h GLU 81 CO 0.11 -0.21 -0.11 -0.24 -1.00 0.00 0.00 179.01 177.55 1x4b h VAL 82 N -0.32 0.36 -0.80 3.13 3.04 -1.67 1.33 116.25 121.31 1x4b h VAL 82 Ca 0.06 -0.01 0.18 0.00 -1.01 0.00 0.00 66.70 65.93 1x4b h VAL 82 Cb 0.49 0.32 -0.05 0.00 -2.01 0.00 0.00 31.29 30.05 1x4b h VAL 82 CO -0.51 0.01 0.54 0.44 -1.01 0.00 0.00 177.57 177.04 1x4b h ASP 83 N 0.03 0.30 0.48 3.17 3.32 0.01 -0.37 116.42 123.36 1x4b h ASP 83 Ca 0.34 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.39 1x4b h ASP 83 Cb 0.53 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1x4b h ASP 83 CO -0.66 0.14 -0.23 0.00 -1.72 0.00 0.00 179.24 176.77 1x4b h ALA 84 N 1.63 -0.88 -0.89 3.45 0.00 0.41 -2.49 119.26 120.49 1x4b h ALA 84 Ca 0.40 -0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.40 1x4b h ALA 84 Cb 1.10 0.25 -0.16 0.00 0.00 0.00 0.00 17.79 18.98 1x4b h ALA 84 CO -0.11 -0.83 0.03 0.00 0.00 0.00 0.00 179.25 178.34 1x4b h ALA 85 N -1.51 1.02 -0.68 0.00 0.00 -0.47 0.86 119.26 118.48 1x4b h ALA 85 Ca -0.07 0.29 0.13 0.00 0.00 0.00 0.00 54.91 55.26 1x4b h ALA 85 Cb 0.49 0.51 -0.09 0.00 0.00 0.00 0.00 17.79 18.70 1x4b h ALA 85 CO 0.11 -0.50 0.23 0.52 0.00 0.00 0.00 179.25 179.61 1x4b h MET 86 N 0.07 0.36 -1.92 0.00 2.07 -1.04 -1.16 114.93 113.31 1x4b h MET 86 Ca 0.52 -0.02 -0.73 0.00 -2.07 0.00 0.00 59.70 57.40 1x4b h MET 86 Cb 1.02 -0.08 -0.30 0.00 -1.87 0.00 0.00 31.60 30.36 1x4b h MET 86 CO -0.81 0.24 0.68 0.00 1.07 0.00 0.00 176.91 178.09 1x4b n ALA 87 N -2.54 6.18 -2.44 6.32 0.00 0.29 -4.37 120.51 123.95 1x4b n ALA 87 Ca 0.12 -4.20 0.04 0.00 0.00 0.00 0.00 53.44 49.40 1x4b n ALA 87 Cb 0.37 -1.69 0.03 0.00 0.00 0.00 0.00 19.45 18.15 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 -0.50 2.44 -2.34 0.00 0.00 -0.44 -4.92 120.51 114.76 1x4b n ALA 88 Ca 0.50 -2.41 -0.26 0.00 0.00 0.00 0.00 53.44 51.27 1x4b n ALA 88 Cb 0.32 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.21 3.42 0.48 0.00 0.52 -1.26 -4.50 118.95 117.40 1x4b s ARG 89 Ca 0.34 0.00 -0.08 0.00 -0.52 0.00 0.00 55.73 55.47 1x4b s ARG 89 Cb 0.39 -2.44 0.12 0.00 0.52 0.00 0.00 34.95 33.53 1x4b s ARG 89 CO -0.16 -0.19 0.53 -0.35 0.02 0.00 0.00 175.30 175.15 1x4b n PRO 90 N -2.18 -1.25 -4.20 3.54 -0.04 -1.26 -5.16 135.00 124.45 1x4b n PRO 90 Ca -0.00 -0.83 -0.26 0.00 -0.04 0.00 0.00 63.50 62.37 1x4b n PRO 90 Cb 0.56 -0.66 -0.17 0.00 -0.04 0.00 0.00 33.50 33.19 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 -2.07 1.45 -0.25 0.54 3.76 -1.26 -5.08 115.29 112.38 1x4b s HIS 91 Ca 0.32 -0.64 -0.02 0.00 -0.15 0.00 0.00 55.06 54.57 1x4b s HIS 91 Cb -0.02 -1.15 0.02 0.00 1.11 0.00 0.00 32.58 32.55 1x4b s HIS 91 CO 0.23 -0.40 -0.06 -1.54 -0.85 0.00 0.00 174.74 172.12 1x4b s SER 92 N 1.24 4.31 0.00 1.40 1.04 -1.26 -0.04 113.70 120.39 1x4b s SER 92 Ca -0.04 -0.83 0.01 0.00 0.48 0.00 0.00 55.95 55.57 1x4b s SER 92 Cb -0.14 -1.67 -0.01 0.00 0.10 0.00 0.00 66.02 64.30 1x4b s SER 92 CO -0.03 -0.12 -0.05 -0.63 0.98 0.00 0.00 173.24 173.40 1x4b s ILE 93 N 1.34 0.34 -0.99 -1.02 1.01 0.44 -4.74 121.20 117.58 1x4b s ILE 93 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1x4b s ILE 93 Cb -0.16 -0.32 0.00 0.00 0.01 0.00 0.00 42.46 41.98 1x4b s ILE 93 CO -0.04 -0.01 0.00 -0.67 0.00 0.00 0.00 174.94 174.22 1x4b n ASP 94 N 2.68 -4.97 0.00 3.58 2.03 -1.26 -0.70 116.55 117.91 1x4b n ASP 94 Ca -0.15 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.39 1x4b n ASP 94 Cb 0.58 -3.29 0.00 0.00 -0.72 0.00 0.00 41.12 37.69 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 -0.71 0.73 3.73 0.27 0.00 -1.26 -5.02 105.19 102.93 1x4b n GLY 95 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.15 2.23 -0.60 1.61 1.70 0.12 -5.09 118.95 118.78 1x4b s ARG 96 Ca 0.00 -1.83 -0.17 0.00 -0.47 0.00 0.00 55.73 53.26 1x4b s ARG 96 Cb 0.00 -1.99 0.13 0.00 -0.57 0.00 0.00 34.95 32.53 1x4b s ARG 96 CO 0.00 -0.10 0.60 0.08 -1.08 0.00 0.00 175.30 174.80 1x4b s VAL 97 N -2.59 5.15 0.53 4.99 1.01 -1.26 -0.42 120.40 127.81 1x4b s VAL 97 Ca 0.41 -1.50 -0.09 0.00 0.00 0.00 0.00 61.98 60.80 1x4b s VAL 97 Cb 0.04 -4.41 0.13 0.00 0.00 0.00 0.00 36.38 32.14 1x4b s VAL 97 CO 0.22 -0.97 0.59 1.33 0.00 0.00 0.00 175.10 176.27 1x4b n VAL 98 N 5.17 0.00 -3.18 2.92 0.24 0.94 -4.98 118.33 119.44 1x4b n VAL 98 Ca -0.08 -0.36 0.02 0.00 -2.04 0.00 0.00 64.34 61.88 1x4b n VAL 98 Cb 0.42 -1.44 -0.02 0.00 -1.47 0.00 0.00 33.84 31.32 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 -4.31 0.53 0.59 7.34 -1.05 0.68 -4.39 118.70 118.09 1x4b s GLU 99 Ca 0.35 0.90 -0.15 0.00 -0.15 0.00 0.00 54.97 55.92 1x4b s GLU 99 Cb -0.02 0.37 -0.04 0.00 -0.44 0.00 0.00 34.13 34.00 1x4b s GLU 99 CO 0.26 -0.65 1.05 -1.25 0.95 0.00 0.00 175.26 175.62 1x4b s PRO 100 N 2.80 3.36 0.07 -4.83 0.04 -1.26 -1.22 135.00 133.96 1x4b s PRO 100 Ca 0.19 1.15 -0.03 0.00 0.04 0.00 0.00 61.00 62.35 1x4b s PRO 100 Cb -0.15 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1x4b s PRO 100 CO -0.21 -0.77 0.05 0.15 0.04 0.00 0.00 177.00 176.26 1x4b s LYS 101 N -4.17 0.72 -0.33 4.56 1.02 0.16 -4.84 119.74 116.86 1x4b s LYS 101 Ca 0.62 -1.17 -0.15 0.00 0.02 0.00 0.00 55.97 55.30 1x4b s LYS 101 Cb -0.15 0.25 -0.02 0.00 -0.52 0.00 0.00 37.83 37.40 1x4b s LYS 101 CO 0.38 -0.18 0.34 1.03 -0.92 0.00 0.00 175.35 176.01 1x4b s ARG 102 N -3.92 3.61 0.58 1.68 0.52 -1.26 0.41 118.95 120.58 1x4b s ARG 102 Ca 0.08 -0.39 0.34 0.00 -0.52 0.00 0.00 55.73 55.23 1x4b s ARG 102 Cb 0.07 -3.79 1.33 0.00 0.52 0.00 0.00 34.95 33.08 1x4b s ARG 102 CO -0.09 -0.48 1.59 0.00 0.02 0.00 0.00 175.30 176.34 1x4b h ALA 103 N 8.44 2.98 -3.55 2.13 0.00 -1.76 -3.02 119.26 124.48 1x4b h ALA 103 Ca -0.30 -0.04 -0.68 0.00 0.00 0.00 0.00 54.91 53.89 1x4b h ALA 103 Cb 1.15 0.08 -0.17 0.00 0.00 0.00 0.00 17.79 18.85 1x4b h ALA 103 CO 0.68 -1.58 -0.68 0.08 0.00 0.00 0.00 179.25 177.75 1x4b s VAL 104 N -4.65 3.84 0.00 0.00 1.01 -1.26 -4.74 120.40 114.59 1x4b s VAL 104 Ca -0.04 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1x4b s VAL 104 Cb 0.18 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.93 1x4b s VAL 104 CO 0.63 0.50 0.00 0.00 0.00 0.00 0.00 175.10 176.23 1x4b n ALA 105 N 1.86 0.00 -2.08 5.51 0.00 -1.26 -4.82 120.51 119.72 1x4b n ALA 105 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 1x4b n ALA 105 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 1x4b n ALA 105 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1x4b s ARG 106 N 0.00 3.18 0.08 0.00 6.06 -1.14 -4.95 118.95 122.18 1x4b s ARG 106 Ca 0.00 1.09 0.01 0.00 -2.50 0.00 0.00 55.73 54.33 1x4b s ARG 106 Cb 0.00 -4.22 -0.04 0.00 0.06 0.00 0.00 34.95 30.75 1x4b s ARG 106 CO 0.00 -2.05 -0.05 -1.21 -2.50 0.00 0.00 175.30 169.49 1x4b s GLU 107 N 5.91 0.74 -0.47 5.12 2.02 -1.26 -4.33 118.70 126.44 1x4b s GLU 107 Ca 0.72 -1.29 0.04 0.00 0.02 0.00 0.00 54.97 54.47 1x4b s GLU 107 Cb -0.18 -0.04 0.19 0.00 0.10 0.00 0.00 34.13 34.21 1x4b s GLU 107 CO 0.30 -0.05 0.81 -2.00 0.02 0.00 0.00 175.26 174.33 1x4b s GLU 108 N -3.85 0.84 0.00 1.61 2.12 -1.26 -5.15 118.70 113.01 1x4b s GLU 108 Ca 0.10 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.65 1x4b s GLU 108 Cb 0.06 -0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.43 1x4b s GLU 108 CO -0.07 -1.06 0.00 0.45 -0.54 0.00 0.00 175.26 174.04 1x4b n SER 109 N 3.04 0.00 0.00 -1.70 2.88 -1.26 -5.19 113.62 111.39 1x4b n SER 109 Ca 0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1x4b n SER 109 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 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 -0.12 3.27 2.86 0.46 0.00 -1.26 -4.77 105.19 105.63 1x4b n GLY 110 Ca 0.00 -1.45 -0.02 0.00 0.00 0.00 0.00 46.02 44.55 1x4b n GLY 110 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4b s SER 111 N 0.00 -1.18 0.00 1.61 0.15 -1.26 -4.79 113.70 108.22 1x4b s SER 111 Ca 0.00 -1.12 0.00 0.00 0.70 0.00 0.00 55.95 55.53 1x4b s SER 111 Cb 0.00 1.54 0.00 0.00 -1.71 0.00 0.00 66.02 65.85 1x4b s SER 111 CO 0.00 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1x4b n GLY 112 N 3.34 1.99 3.78 9.45 0.00 -1.26 -5.06 105.19 117.43 1x4b n GLY 112 Ca 0.14 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 1x4b n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4b s PRO 113 N -2.00 0.97 0.42 1.61 0.04 -1.26 -4.53 135.00 130.26 1x4b s PRO 113 Ca 0.00 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1x4b s PRO 113 Cb 0.00 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1x4b s PRO 113 CO 0.00 -2.30 0.00 0.45 0.04 0.00 0.00 177.00 175.19 1x4b n SER 114 N -3.83 -3.45 -4.86 6.66 2.88 -1.26 -4.84 113.62 104.91 1x4b n SER 114 Ca 0.07 0.80 -0.26 0.00 -1.33 0.00 0.00 58.87 58.16 1x4b n SER 114 Cb 0.59 3.26 0.08 0.00 -0.75 0.00 0.00 64.21 67.39 1x4b n SER 114 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4b s SER 115 N -2.46 4.65 0.00 -3.46 1.04 -1.26 -5.17 113.70 107.03 1x4b s SER 115 Ca 0.00 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.86 1x4b s SER 115 Cb 0.00 -1.01 0.00 0.00 0.10 0.00 0.00 66.02 65.11 1x4b s SER 115 CO 0.00 -1.72 0.00 0.61 0.98 0.00 0.00 173.24 173.11