#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 -0.70 -0.30 1.61 1.04 -1.26 -5.15 113.70 108.94 1x4b s SER 2 Ca 0.00 0.46 -0.17 0.00 0.48 0.00 0.00 55.95 56.72 1x4b s SER 2 Cb 0.00 1.59 0.20 0.00 0.10 0.00 0.00 66.02 67.92 1x4b s SER 2 CO 0.00 -0.13 1.24 -0.44 0.98 0.00 0.00 173.24 174.89 1x4b s SER 3 N 2.92 -0.10 -0.30 7.02 0.01 -1.26 -5.18 113.70 116.81 1x4b s SER 3 Ca 0.05 0.16 -0.25 0.00 1.31 0.00 0.00 55.95 57.21 1x4b s SER 3 Cb -0.11 1.06 0.19 0.00 0.21 0.00 0.00 66.02 67.37 1x4b s SER 3 CO -0.14 -0.02 1.44 -0.83 0.41 0.00 0.00 173.24 174.10 1x4b s GLY 4 N 1.31 0.36 -0.30 3.44 0.00 -1.26 -5.16 107.32 105.71 1x4b s GLY 4 Ca -0.06 3.54 -0.19 0.00 0.00 0.00 0.00 44.72 48.01 1x4b s GLY 4 CO -0.12 1.95 1.26 -0.45 0.00 0.00 0.00 173.10 175.75 1x4b s SER 5 N 0.03 -0.09 -0.03 1.64 0.15 -1.26 -5.18 113.70 108.97 1x4b s SER 5 Ca 0.07 0.11 -0.11 0.00 0.70 0.00 0.00 55.95 56.72 1x4b s SER 5 Cb -0.05 1.10 0.02 0.00 -1.71 0.00 0.00 66.02 65.37 1x4b s SER 5 CO -0.16 -0.02 0.23 -0.44 1.20 0.00 0.00 173.24 174.06 1x4b s SER 6 N 2.30 -0.13 0.00 5.45 0.01 -1.26 -5.13 113.70 114.94 1x4b s SER 6 Ca -0.02 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1x4b s SER 6 Cb -0.03 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1x4b s SER 6 CO -0.14 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.78 1x4b n GLY 7 N 1.72 -0.58 3.10 3.44 0.00 -1.26 -5.08 105.19 106.53 1x4b n GLY 7 Ca -0.20 -2.19 -0.09 0.00 0.00 0.00 0.00 46.02 43.53 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 0.00 0.54 -0.39 1.61 1.00 -1.26 -5.12 119.30 115.68 1x4b s MET 8 Ca 0.00 -0.72 0.07 0.00 0.00 0.00 0.00 55.69 55.03 1x4b s MET 8 Cb 0.00 0.21 0.18 0.00 0.00 0.00 0.00 34.83 35.22 1x4b s MET 8 CO 0.00 -0.13 0.57 -2.00 0.00 0.00 0.00 175.02 173.46 1x4b s GLU 9 N -2.40 0.76 -0.23 2.03 2.12 -1.26 -5.13 118.70 114.58 1x4b s GLU 9 Ca -0.07 -0.31 -0.11 0.00 0.36 0.00 0.00 54.97 54.84 1x4b s GLU 9 Cb -0.02 -0.06 0.08 0.00 0.26 0.00 0.00 34.13 34.39 1x4b s GLU 9 CO -0.04 -1.18 0.54 0.15 -0.54 0.00 0.00 175.26 174.20 1x4b s LYS 10 N 1.86 0.51 0.25 4.30 1.02 -1.26 -5.09 119.74 121.33 1x4b s LYS 10 Ca 0.16 1.10 0.00 0.00 0.02 0.00 0.00 55.97 57.24 1x4b s LYS 10 Cb -0.07 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 1x4b s LYS 10 CO -0.08 -0.18 0.00 2.41 -0.92 0.00 0.00 175.35 176.58 1x4b n THR 11 N 4.71 -9.82 -3.19 2.17 -1.04 -1.26 -4.88 114.28 100.98 1x4b n THR 11 Ca -0.17 2.84 -0.41 0.00 -2.04 0.00 0.00 64.05 64.27 1x4b n THR 11 Cb 0.54 -4.47 -0.07 0.00 -1.82 0.00 0.00 70.33 64.51 1x4b n THR 11 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1x4b s LEU 12 N -1.00 4.14 -0.55 -4.42 2.96 -1.26 -5.02 118.68 113.53 1x4b s LEU 12 Ca 0.00 0.38 -0.27 0.00 -0.22 0.00 0.00 54.13 54.02 1x4b s LEU 12 Cb 0.00 -2.71 0.03 0.00 0.50 0.00 0.00 46.19 44.01 1x4b s LEU 12 CO 0.00 -0.40 1.12 -1.61 -1.32 0.00 0.00 176.35 174.14 1x4b s GLU 13 N 2.45 3.50 -0.17 1.98 0.41 -1.26 -4.95 118.70 120.67 1x4b s GLU 13 Ca 0.22 0.17 -0.30 0.00 -0.41 0.00 0.00 54.97 54.66 1x4b s GLU 13 Cb -0.15 -4.00 0.13 0.00 -1.78 0.00 0.00 34.13 28.32 1x4b s GLU 13 CO 0.11 -1.58 1.00 -0.08 -0.49 0.00 0.00 175.26 174.22 1x4b s THR 14 N 4.61 0.00 0.73 3.63 -1.32 -1.26 -5.14 115.64 116.90 1x4b s THR 14 Ca 0.41 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.73 1x4b s THR 14 Cb -0.09 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.91 1x4b s THR 14 CO 0.25 0.00 0.92 1.33 -2.21 0.00 0.00 174.62 174.91 1x4b n VAL 15 N 0.78 2.56 -1.53 5.08 0.24 -1.26 -4.98 118.33 119.22 1x4b n VAL 15 Ca -0.10 -0.36 -0.29 0.00 -2.04 0.00 0.00 64.34 61.55 1x4b n VAL 15 Cb 0.58 -1.05 0.15 0.00 -1.47 0.00 0.00 33.84 32.05 1x4b n VAL 15 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1x4b s PRO 16 N -3.33 0.81 -0.24 7.34 0.04 -1.26 -4.80 135.00 133.56 1x4b s PRO 16 Ca 0.72 0.16 -0.27 0.00 0.04 0.00 0.00 61.00 61.65 1x4b s PRO 16 Cb -0.34 -1.81 0.14 0.00 0.04 0.00 0.00 34.50 32.53 1x4b s PRO 16 CO 0.52 -2.40 1.13 -1.17 0.04 0.00 0.00 177.00 175.12 1x4b s LEU 17 N -6.12 -0.31 -0.17 -3.56 0.20 -1.26 -5.00 118.68 102.46 1x4b s LEU 17 Ca 0.66 0.48 -0.24 0.00 0.69 0.00 0.00 54.13 55.71 1x4b s LEU 17 Cb -0.13 1.65 0.06 0.00 -0.43 0.00 0.00 46.19 47.35 1x4b s LEU 17 CO 0.54 -0.18 0.64 -0.70 -0.29 0.00 0.00 176.35 176.35 1x4b s GLU 18 N -0.43 0.84 -0.13 1.98 2.12 -1.26 -4.86 118.70 116.95 1x4b s GLU 18 Ca 0.03 0.65 -0.03 0.00 0.36 0.00 0.00 54.97 55.98 1x4b s GLU 18 Cb -0.03 0.40 0.01 0.00 0.26 0.00 0.00 34.13 34.77 1x4b s GLU 18 CO -0.05 -0.16 0.05 -2.13 -0.54 0.00 0.00 175.26 172.43 1x4b n ARG 19 N 2.12 -2.31 0.03 4.30 0.63 -1.26 -4.98 116.66 115.20 1x4b n ARG 19 Ca -0.16 2.01 0.00 0.00 -0.92 0.00 0.00 57.85 58.78 1x4b n ARG 19 Cb 0.56 -3.06 0.00 0.00 0.45 0.00 0.00 32.46 30.41 1x4b n ARG 19 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1x4b n LYS 20 N 1.47 0.00 -1.21 -0.14 3.00 -1.26 -5.13 118.16 114.89 1x4b n LYS 20 Ca -0.09 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.85 1x4b n LYS 20 Cb 0.29 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.36 1x4b n LYS 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1x4b n LYS 21 N -2.64 0.14 -3.27 1.64 4.01 -1.26 -4.94 118.16 111.83 1x4b n LYS 21 Ca 0.00 0.06 -0.28 0.00 -0.51 0.00 0.00 58.31 57.58 1x4b n LYS 21 Cb 0.00 -1.35 -0.03 0.00 -0.51 0.00 0.00 35.03 33.14 1x4b n LYS 21 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1x4b s ARG 22 N -1.92 3.62 0.07 1.97 3.00 -1.26 -4.93 118.95 119.49 1x4b s ARG 22 Ca 0.57 0.00 -0.29 0.00 -1.00 0.00 0.00 55.73 55.01 1x4b s ARG 22 Cb -0.38 -2.62 -0.18 0.00 0.00 0.00 0.00 34.95 31.78 1x4b s ARG 22 CO 0.66 0.16 1.62 0.93 0.00 0.00 0.00 175.30 178.67 1x4b h GLU 23 N 1.44 -0.58 0.00 5.12 5.08 -1.98 0.28 114.58 123.95 1x4b h GLU 23 Ca -0.48 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1x4b h GLU 23 Cb 1.19 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1x4b h GLU 23 CO 0.65 -0.37 0.00 -0.22 -1.00 0.00 0.00 179.01 178.08 1x4b h LYS 24 N -0.63 0.00 0.04 2.33 1.63 -1.98 -0.52 116.57 117.44 1x4b h LYS 24 Ca -0.06 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1x4b h LYS 24 Cb 0.48 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 1x4b h LYS 24 CO 0.10 0.00 -0.02 1.49 -3.45 0.00 0.00 179.45 177.57 1x4b h GLU 25 N 0.00 -0.05 0.00 1.90 4.81 -1.63 -3.16 114.58 116.44 1x4b h GLU 25 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1x4b h GLU 25 Cb 0.15 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1x4b h GLU 25 CO 0.00 0.20 0.00 0.00 -0.73 0.00 0.00 179.01 178.48 1x4b n GLN 26 N -4.78 0.01 0.01 1.92 10.64 0.88 -0.40 117.38 125.66 1x4b n GLN 26 Ca -0.03 0.33 -0.18 0.00 -1.83 0.00 0.00 57.00 55.29 1x4b n GLN 26 Cb 0.13 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 27.89 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 0.49 -0.28 2.61 -1.00 -1.15 -3.33 116.94 114.28 1x4b h PHE 27 Ca 0.00 -0.30 -0.06 0.00 2.81 0.00 0.00 57.97 60.42 1x4b h PHE 27 Cb 0.15 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.64 1x4b h PHE 27 CO 0.00 1.16 -0.01 0.54 -1.61 0.00 0.00 178.31 178.39 1x4b n ARG 28 N -4.26 2.53 -3.95 1.51 1.74 -0.93 -4.93 116.66 108.36 1x4b n ARG 28 Ca -0.11 -2.92 -0.35 0.00 -0.77 0.00 0.00 57.85 53.70 1x4b n ARG 28 Cb 0.68 -1.82 -0.14 0.00 -1.02 0.00 0.00 32.46 30.16 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 -2.95 3.20 0.27 5.56 2.20 0.47 -2.74 119.74 125.74 1x4b s LYS 29 Ca 0.42 -0.74 0.09 0.00 -0.36 0.00 0.00 55.97 55.39 1x4b s LYS 29 Cb 0.36 -2.94 -0.04 0.00 -1.51 0.00 0.00 37.83 33.70 1x4b s LYS 29 CO 0.06 -0.25 0.04 -0.51 -0.36 0.00 0.00 175.35 174.34 1x4b s LEU 30 N 1.42 3.33 -0.25 5.43 1.02 -1.05 -4.28 118.68 124.30 1x4b s LEU 30 Ca 0.05 -0.57 0.02 0.00 0.02 0.00 0.00 54.13 53.65 1x4b s LEU 30 Cb -0.15 -1.85 0.06 0.00 0.02 0.00 0.00 46.19 44.27 1x4b s LEU 30 CO -0.05 -0.02 -0.09 0.12 0.02 0.00 0.00 176.35 176.34 1x4b s PHE 31 N -2.29 2.90 0.04 0.29 2.19 -0.30 -1.43 117.98 119.38 1x4b s PHE 31 Ca 0.32 -2.09 -0.27 0.00 0.33 0.00 0.00 56.93 55.22 1x4b s PHE 31 Cb -0.07 -1.78 -0.05 0.00 -1.31 0.00 0.00 43.02 39.81 1x4b s PHE 31 CO 0.21 -0.84 0.86 0.42 1.83 0.00 0.00 175.22 177.71 1x4b s ILE 32 N 1.22 4.74 -0.19 3.12 -1.09 0.12 0.71 121.20 129.83 1x4b s ILE 32 Ca -0.08 1.83 0.01 0.00 -2.23 0.00 0.00 60.65 60.18 1x4b s ILE 32 Cb -0.20 -4.21 0.04 0.00 -1.58 0.00 0.00 42.46 36.51 1x4b s ILE 32 CO -0.06 0.29 -0.09 -0.83 -1.23 0.00 0.00 174.94 173.02 1x4b s GLY 33 N 0.32 1.19 0.00 6.18 0.00 -0.19 -0.90 107.32 113.93 1x4b s GLY 33 Ca 0.44 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 44.04 1x4b s GLY 33 CO 0.25 0.76 0.00 0.61 0.00 0.00 0.00 173.10 174.72 1x4b n GLY 34 N 4.73 0.70 0.89 0.20 0.00 0.32 -0.64 105.19 111.38 1x4b n GLY 34 Ca -0.14 -0.71 0.08 0.00 0.00 0.00 0.00 46.02 45.25 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 3.22 0.00 0.99 4.77 0.25 -4.31 117.00 121.93 1x4b n LEU 35 Ca 0.00 -1.89 0.00 0.00 -0.03 0.00 0.00 56.01 54.09 1x4b n LEU 35 Cb 0.00 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1x4b n LEU 35 CO 0.00 0.79 0.00 -0.24 -1.33 0.00 0.00 177.39 176.61 1x4b n SER 36 N 0.95 0.00 0.00 -1.43 2.88 -1.26 -3.46 113.62 111.30 1x4b n SER 36 Ca 0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1x4b n SER 36 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 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 -1.15 0.66 3.01 -1.26 -4.63 117.46 114.09 1x4b n PHE 37 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.23 1x4b n PHE 37 Cb 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 39.48 39.64 1x4b n PHE 37 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1x4b n GLU 38 N 0.00 2.21 -3.90 -1.08 1.02 -1.24 -4.59 120.64 113.05 1x4b n GLU 38 Ca 0.00 -2.90 -0.35 0.00 -0.02 0.00 0.00 57.16 53.89 1x4b n GLU 38 Cb 0.00 -2.14 -0.14 0.00 -0.02 0.00 0.00 31.44 29.15 1x4b n GLU 38 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1x4b s THR 39 N -3.19 3.10 0.47 2.62 2.01 -1.23 -4.94 115.64 114.49 1x4b s THR 39 Ca 0.55 -1.17 0.00 0.00 0.31 0.00 0.00 61.69 61.38 1x4b s THR 39 Cb 0.46 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 70.28 1x4b s THR 39 CO 0.10 0.01 0.70 0.42 -0.69 0.00 0.00 174.62 175.17 1x4b s THR 40 N 1.31 3.77 0.17 -0.82 -4.23 -1.26 -4.89 115.64 109.69 1x4b s THR 40 Ca -0.02 -0.50 -0.22 0.00 -1.18 0.00 0.00 61.69 59.77 1x4b s THR 40 Cb -0.18 -3.40 0.08 0.00 1.34 0.00 0.00 72.50 70.34 1x4b s THR 40 CO -0.02 -0.29 1.60 -0.33 -0.54 0.00 0.00 174.62 175.05 1x4b h GLU 41 N 0.32 -0.20 0.35 3.99 5.08 -1.95 -0.11 114.58 122.05 1x4b h GLU 41 Ca -0.45 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1x4b h GLU 41 Cb 1.26 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 1x4b h GLU 41 CO 0.57 -0.14 -0.41 0.93 -1.00 0.00 0.00 179.01 178.96 1x4b h GLU 42 N -0.21 -0.74 -0.97 2.33 5.08 -1.94 0.35 114.58 118.48 1x4b h GLU 42 Ca 0.19 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.72 1x4b h GLU 42 Cb 0.53 0.17 -0.14 0.00 0.50 0.00 0.00 28.75 29.81 1x4b h GLU 42 CO -0.56 -0.49 -0.47 0.43 -1.00 0.00 0.00 179.01 176.91 1x4b n SER 43 N -4.85 -0.82 -0.08 1.42 7.64 -0.88 0.16 113.62 116.21 1x4b n SER 43 Ca -0.09 1.71 -0.07 0.00 1.01 0.00 0.00 58.87 61.43 1x4b n SER 43 Cb 0.36 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 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 0.02 0.35 -3.43 5.85 -0.72 -2.57 115.31 114.81 1x4b h LEU 44 Ca 0.25 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 1x4b h LEU 44 Cb 0.49 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1x4b h LEU 44 CO -0.94 0.05 -0.39 0.03 -0.34 0.00 0.00 178.44 176.85 1x4b h ARG 45 N 0.18 -0.75 -1.61 1.25 3.08 0.46 0.50 114.38 117.49 1x4b h ARG 45 Ca 0.14 0.05 0.47 0.00 0.07 0.00 0.00 59.98 60.71 1x4b h ARG 45 Cb 0.15 0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 1x4b h ARG 45 CO -0.18 -0.50 1.25 -0.97 -1.07 0.00 0.00 179.97 178.50 1x4b h ASN 46 N -0.77 0.00 0.00 7.04 -1.24 0.18 1.58 115.58 122.37 1x4b h ASN 46 Ca -0.02 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.86 1x4b h ASN 46 Cb 0.70 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.74 1x4b h ASN 46 CO -0.09 0.00 -0.81 0.22 -1.29 0.00 0.00 177.43 175.47 1x4b h TYR 47 N 0.00 0.00 -0.48 0.67 3.20 -0.59 -3.37 116.97 116.40 1x4b h TYR 47 Ca 0.77 0.00 -0.26 0.00 3.14 0.00 0.00 58.73 62.37 1x4b h TYR 47 Cb 3.26 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 41.38 1x4b h TYR 47 CO 0.00 0.99 0.34 0.66 -1.64 0.00 0.00 178.16 178.51 1x4b n TYR 48 N -4.53 1.49 -0.09 -3.82 4.01 0.15 -3.84 117.16 110.55 1x4b n TYR 48 Ca -0.21 -1.29 -0.10 0.00 -0.16 0.00 0.00 57.90 56.14 1x4b n TYR 48 Cb 0.51 -0.65 -0.15 0.00 -0.31 0.00 0.00 39.34 38.74 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 -0.19 0.68 0.11 -0.72 1.02 0.50 -4.08 120.64 117.96 1x4b n GLU 49 Ca 0.29 0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 57.35 1x4b n GLU 49 Cb 0.99 -1.57 -0.08 0.00 -0.02 0.00 0.00 31.44 30.76 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 -0.28 -0.07 3.49 3.07 -1.80 -2.42 115.11 117.10 1x4b h GLN 50 Ca -0.50 0.02 0.02 0.00 0.09 0.00 0.00 58.65 58.27 1x4b h GLN 50 Cb 2.19 0.06 -0.00 0.00 0.08 0.00 0.00 27.48 29.82 1x4b h GLN 50 CO 0.03 0.06 0.27 -1.49 0.09 0.00 0.00 178.83 177.79 1x4b h TRP 51 N -0.67 0.00 0.00 0.06 6.55 -1.81 -3.44 115.95 116.63 1x4b h TRP 51 Ca -0.03 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.81 1x4b h TRP 51 Cb 0.47 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.77 1x4b h TRP 51 CO 0.04 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 177.84 1x4b n GLY 52 N -1.25 2.33 3.55 1.49 0.00 -0.91 -4.33 105.19 106.07 1x4b n GLY 52 Ca -0.01 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 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 3.50 -0.60 1.61 1.02 -1.23 -3.48 119.74 118.56 1x4b s LYS 53 Ca 0.00 0.02 -0.26 0.00 0.02 0.00 0.00 55.97 55.75 1x4b s LYS 53 Cb 0.00 -3.91 -0.03 0.00 -0.52 0.00 0.00 37.83 33.37 1x4b s LYS 53 CO 0.00 -1.07 1.99 -0.51 -0.92 0.00 0.00 175.35 174.84 1x4b s LEU 54 N 3.30 3.31 0.62 3.17 1.43 -1.26 -3.10 118.68 126.15 1x4b s LEU 54 Ca 0.31 0.46 0.29 0.00 -1.03 0.00 0.00 54.13 54.16 1x4b s LEU 54 Cb -0.12 -2.52 1.53 0.00 0.03 0.00 0.00 46.19 45.11 1x4b s LEU 54 CO 0.22 -2.52 1.91 0.71 0.23 0.00 0.00 176.35 176.90 1x4b h THR 55 N 7.09 0.22 -1.94 5.49 1.35 0.19 -3.39 112.91 121.92 1x4b h THR 55 Ca -0.24 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.65 1x4b h THR 55 Cb 1.18 0.65 -0.22 0.00 -1.73 0.00 0.00 68.15 68.03 1x4b h THR 55 CO 1.20 0.00 0.05 -0.62 -0.25 0.00 0.00 175.52 175.91 1x4b s ASP 56 N -4.92 -0.91 -0.14 5.36 2.15 -1.13 -5.00 116.67 112.08 1x4b s ASP 56 Ca -0.04 1.43 -0.00 0.00 0.43 0.00 0.00 52.55 54.38 1x4b s ASP 56 Cb 0.13 1.43 0.03 0.00 -0.30 0.00 0.00 42.92 44.21 1x4b s ASP 56 CO 0.43 -0.22 -0.09 0.00 -0.17 0.00 0.00 175.17 175.11 1x4b s VAL 58 N 1.61 2.38 -0.20 0.00 1.01 -0.39 -4.87 120.40 119.93 1x4b s VAL 58 Ca 0.04 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1x4b s VAL 58 Cb -0.13 -1.90 0.04 0.00 0.00 0.00 0.00 36.38 34.39 1x4b s VAL 58 CO -0.09 0.57 -0.10 0.54 0.00 0.00 0.00 175.10 176.02 1x4b s VAL 59 N -0.13 1.67 0.42 2.92 0.11 -1.26 0.18 120.40 124.31 1x4b s VAL 59 Ca -0.04 -1.06 -0.25 0.00 -2.93 0.00 0.00 61.98 57.70 1x4b s VAL 59 Cb -0.14 -1.76 -0.08 0.00 -1.53 0.00 0.00 36.38 32.87 1x4b s VAL 59 CO 0.04 0.14 1.25 -0.04 -3.33 0.00 0.00 175.10 173.16 1x4b s MET 60 N 1.38 3.92 0.05 1.54 -1.94 -0.30 -4.89 119.30 119.05 1x4b s MET 60 Ca -0.02 2.02 0.03 0.00 -1.71 0.00 0.00 55.69 56.02 1x4b s MET 60 Cb -0.17 -2.66 -0.02 0.00 2.01 0.00 0.00 34.83 33.99 1x4b s MET 60 CO -0.08 -0.49 -0.10 1.03 -0.01 0.00 0.00 175.02 175.37 1x4b s ARG 61 N -2.35 0.65 0.09 2.03 0.52 -1.26 0.58 118.95 119.21 1x4b s ARG 61 Ca 0.59 -0.80 -0.35 0.00 -0.52 0.00 0.00 55.73 54.65 1x4b s ARG 61 Cb -0.35 -0.53 -0.18 0.00 0.52 0.00 0.00 34.95 34.41 1x4b s ARG 61 CO 0.44 0.11 0.92 -0.25 0.02 0.00 0.00 175.30 176.55 1x4b n ASP 62 N 1.51 -0.13 0.02 0.23 8.00 -1.21 -4.66 116.55 120.31 1x4b n ASP 62 Ca -0.21 1.15 0.11 0.00 0.71 0.00 0.00 54.79 56.54 1x4b n ASP 62 Cb 0.55 -0.98 0.46 0.00 -0.02 0.00 0.00 41.12 41.13 1x4b n ASP 62 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1x4b n PRO 63 N 1.42 0.04 -0.05 -0.24 -0.04 -1.26 0.13 135.00 134.99 1x4b n PRO 63 Ca 0.19 0.16 -0.07 0.00 -0.04 0.00 0.00 63.50 63.73 1x4b n PRO 63 Cb 0.16 -1.56 -0.04 0.00 -0.04 0.00 0.00 33.50 32.02 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 -1.55 1.88 0.11 0.55 0.00 -1.26 -4.68 120.51 115.57 1x4b n ALA 64 Ca 0.05 -0.41 -0.19 0.00 0.00 0.00 0.00 53.44 52.89 1x4b n ALA 64 Cb 0.27 0.29 -0.15 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.06 0.55 -3.31 0.00 0.02 -1.93 -3.47 113.55 105.35 1x4b h SER 65 Ca -0.22 -0.62 -0.38 0.00 -0.84 0.00 0.00 61.79 59.74 1x4b h SER 65 Cb 1.31 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 63.69 1x4b h SER 65 CO -0.05 1.49 -0.52 0.29 -1.14 0.00 0.00 176.83 176.90 1x4b n LYS 66 N -3.57 -2.79 -0.01 3.45 5.02 0.34 -4.90 118.16 115.70 1x4b n LYS 66 Ca -0.13 0.89 -0.02 0.00 -2.02 0.00 0.00 58.31 57.03 1x4b n LYS 66 Cb 1.05 -5.50 -0.01 0.00 -0.02 0.00 0.00 35.03 30.56 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 -3.22 0.10 -3.59 1.97 1.74 -1.26 -4.84 116.66 107.56 1x4b n ARG 67 Ca -0.17 0.04 -0.10 0.00 -0.77 0.00 0.00 57.85 56.85 1x4b n ARG 67 Cb 0.65 -0.58 -0.05 0.00 -1.02 0.00 0.00 32.46 31.45 1x4b n ARG 67 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1x4b s SER 68 N -4.70 -0.35 -0.24 0.55 0.15 -1.26 -4.74 113.70 103.10 1x4b s SER 68 Ca -0.06 0.44 0.01 0.00 0.70 0.00 0.00 55.95 57.04 1x4b s SER 68 Cb 0.01 0.36 -0.19 0.00 -1.71 0.00 0.00 66.02 64.49 1x4b s SER 68 CO 0.08 -0.29 -0.13 0.54 1.20 0.00 0.00 173.24 174.64 1x4b n ARG 69 N 0.94 0.67 0.00 5.44 1.74 0.19 -3.29 116.66 122.35 1x4b n ARG 69 Ca -0.10 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1x4b n ARG 69 Cb 0.58 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 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 2.21 1.40 3.44 -0.13 0.00 -1.25 -4.92 105.19 105.93 1x4b n GLY 70 Ca -0.43 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.52 0.00 1.61 -0.12 -1.26 0.12 117.98 115.81 1x4b s PHE 71 Ca 0.00 0.72 0.00 0.00 -0.05 0.00 0.00 56.93 57.60 1x4b s PHE 71 Cb 0.00 0.38 0.00 0.00 -0.63 0.00 0.00 43.02 42.77 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 0.60 2.98 3.10 1.99 0.00 -0.08 -1.15 105.19 112.63 1x4b n GLY 72 Ca -0.19 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.52 0.80 -0.17 1.61 0.40 0.13 0.14 117.98 118.37 1x4b s PHE 73 Ca 0.00 -0.57 -0.03 0.00 -0.60 0.00 0.00 56.93 55.73 1x4b s PHE 73 Cb 0.00 -0.47 0.05 0.00 0.51 0.00 0.00 43.02 43.12 1x4b s PHE 73 CO 0.00 -0.07 0.03 0.14 0.70 0.00 0.00 175.22 176.02 1x4b s VAL 74 N -1.80 0.46 -0.52 -0.44 -7.23 -0.51 -1.26 120.40 109.10 1x4b s VAL 74 Ca -0.04 -0.39 -0.18 0.00 -1.81 0.00 0.00 61.98 59.56 1x4b s VAL 74 Cb -0.07 -0.90 0.08 0.00 0.56 0.00 0.00 36.38 36.05 1x4b s VAL 74 CO -0.00 -0.11 0.57 -0.89 -0.31 0.00 0.00 175.10 174.36 1x4b s THR 75 N 1.90 5.00 0.72 5.32 2.01 0.55 -2.52 115.64 128.60 1x4b s THR 75 Ca 0.01 -0.87 -0.12 0.00 0.31 0.00 0.00 61.69 61.02 1x4b s THR 75 Cb -0.16 -4.30 0.18 0.00 0.01 0.00 0.00 72.50 68.23 1x4b s THR 75 CO -0.07 -0.82 0.60 0.49 -0.69 0.00 0.00 174.62 174.13 1x4b n PHE 76 N 5.84 -3.44 -0.11 4.92 3.72 -1.11 0.19 117.46 127.47 1x4b n PHE 76 Ca -0.10 -0.55 -0.20 0.00 -0.05 0.00 0.00 57.45 56.55 1x4b n PHE 76 Cb 0.44 -0.65 -0.09 0.00 -0.94 0.00 0.00 39.48 38.24 1x4b n PHE 76 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1x4b n SER 77 N -4.13 1.89 -4.63 4.37 2.88 -1.18 -4.20 113.62 108.62 1x4b n SER 77 Ca 0.09 0.42 -0.27 0.00 -1.33 0.00 0.00 58.87 57.78 1x4b n SER 77 Cb 0.33 -0.88 -0.10 0.00 -0.75 0.00 0.00 64.21 62.81 1x4b n SER 77 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4b s SER 78 N -6.78 3.95 0.10 -3.46 0.01 -1.26 -5.05 113.70 101.22 1x4b s SER 78 Ca -0.30 -1.28 -0.15 0.00 1.31 0.00 0.00 55.95 55.54 1x4b s SER 78 Cb 0.08 -0.41 -0.08 0.00 0.21 0.00 0.00 66.02 65.82 1x4b s SER 78 CO 0.48 -0.41 1.44 -0.03 0.41 0.00 0.00 173.24 175.13 1x4b h MET 79 N 1.76 0.72 0.01 12.44 4.05 -1.96 -3.06 114.93 128.89 1x4b h MET 79 Ca -0.43 -0.36 0.02 0.00 -0.28 0.00 0.00 59.70 58.64 1x4b h MET 79 Cb 1.24 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 32.00 1x4b h MET 79 CO 0.77 0.98 -0.47 0.00 0.23 0.00 0.00 176.91 178.42 1x4b h ALA 80 N 0.73 -0.90 -0.38 0.39 0.00 -1.97 1.07 119.26 118.20 1x4b h ALA 80 Ca 0.05 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1x4b h ALA 80 Cb 0.82 0.89 -0.06 0.00 0.00 0.00 0.00 17.79 19.45 1x4b h ALA 80 CO 0.07 -1.04 -0.32 0.93 0.00 0.00 0.00 179.25 178.89 1x4b h GLU 81 N -0.60 -0.12 -0.78 0.00 4.39 -1.75 0.84 114.58 116.56 1x4b h GLU 81 Ca 0.01 0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.88 1x4b h GLU 81 Cb 0.63 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.26 1x4b h GLU 81 CO -0.30 -0.08 0.53 -0.24 -1.16 0.00 0.00 179.01 177.75 1x4b h VAL 82 N -0.12 0.75 -0.57 3.13 3.04 -1.37 0.54 116.25 121.65 1x4b h VAL 82 Ca 0.06 -0.12 -0.01 0.00 -1.01 0.00 0.00 66.70 65.61 1x4b h VAL 82 Cb 0.29 0.36 -0.03 0.00 -2.01 0.00 0.00 31.29 29.89 1x4b h VAL 82 CO -0.42 0.07 0.29 -0.78 -1.01 0.00 0.00 177.57 175.72 1x4b h ASP 83 N 0.36 0.70 0.23 3.17 1.82 0.78 -1.05 116.42 122.43 1x4b h ASP 83 Ca 0.39 -0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.96 1x4b h ASP 83 Cb 0.99 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.82 1x4b h ASP 83 CO -0.12 0.58 -0.11 0.00 -1.61 0.00 0.00 179.24 177.98 1x4b h ALA 84 N 1.53 -0.30 -0.98 -0.78 0.00 0.37 -2.82 119.26 116.28 1x4b h ALA 84 Ca 0.20 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.16 1x4b h ALA 84 Cb 0.05 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 1x4b h ALA 84 CO -0.03 -0.49 0.64 0.00 0.00 0.00 0.00 179.25 179.37 1x4b h ALA 85 N -0.01 2.19 0.00 0.00 0.00 -1.03 1.06 119.26 121.46 1x4b h ALA 85 Ca -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1x4b h ALA 85 Cb 0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1x4b h ALA 85 CO 0.05 -0.54 -0.08 0.52 0.00 0.00 0.00 179.25 179.20 1x4b h MET 86 N 0.43 0.00 -0.64 0.00 2.07 -0.95 -2.41 114.93 113.43 1x4b h MET 86 Ca 0.54 0.00 -0.46 0.00 -2.07 0.00 0.00 59.70 57.71 1x4b h MET 86 Cb 1.32 0.00 -0.40 0.00 -1.87 0.00 0.00 31.60 30.65 1x4b h MET 86 CO -0.25 0.08 -0.86 0.00 1.07 0.00 0.00 176.91 176.95 1x4b n ALA 87 N -2.49 4.46 -0.01 6.32 0.00 0.33 -4.62 120.51 124.51 1x4b n ALA 87 Ca -0.03 -3.55 0.04 0.00 0.00 0.00 0.00 53.44 49.90 1x4b n ALA 87 Cb 0.16 -0.43 -0.09 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.70 2.31 -0.88 0.00 0.00 0.56 -4.97 120.51 116.82 1x4b n ALA 88 Ca 0.35 -0.33 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 1x4b n ALA 88 Cb 0.93 -0.32 0.09 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.97 -0.23 -1.52 0.00 1.74 -1.25 -4.73 116.66 108.71 1x4b n ARG 89 Ca -0.04 -0.05 -0.30 0.00 -0.77 0.00 0.00 57.85 56.69 1x4b n ARG 89 Cb 0.38 -1.45 0.20 0.00 -1.02 0.00 0.00 32.46 30.57 1x4b n ARG 89 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1x4b s PRO 90 N -2.86 -0.14 -0.02 5.56 0.04 -1.26 -5.16 135.00 131.16 1x4b s PRO 90 Ca 0.49 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.34 1x4b s PRO 90 Cb -0.18 -1.73 0.02 0.00 0.04 0.00 0.00 34.50 32.65 1x4b s PRO 90 CO 0.74 -2.97 0.01 -1.01 0.04 0.00 0.00 177.00 173.81 1x4b s HIS 91 N -3.44 0.15 -0.18 0.56 3.76 -1.26 -5.09 115.29 109.79 1x4b s HIS 91 Ca 0.72 0.04 0.01 0.00 -0.15 0.00 0.00 55.06 55.67 1x4b s HIS 91 Cb -0.07 -0.24 0.01 0.00 1.11 0.00 0.00 32.58 33.39 1x4b s HIS 91 CO 0.54 -0.07 -0.19 -1.54 -0.85 0.00 0.00 174.74 172.63 1x4b s SER 92 N 0.71 3.26 -0.02 1.40 1.04 -1.26 -0.77 113.70 118.06 1x4b s SER 92 Ca -0.06 -0.61 0.04 0.00 0.48 0.00 0.00 55.95 55.80 1x4b s SER 92 Cb -0.09 -1.50 -0.01 0.00 0.10 0.00 0.00 66.02 64.52 1x4b s SER 92 CO -0.02 0.02 -0.13 -0.63 0.98 0.00 0.00 173.24 173.46 1x4b s ILE 93 N 1.20 1.08 -0.36 -1.02 -1.09 0.87 -4.67 121.20 117.22 1x4b s ILE 93 Ca 0.02 -0.56 0.00 0.00 -2.23 0.00 0.00 60.65 57.88 1x4b s ILE 93 Cb -0.14 -0.92 0.00 0.00 -1.58 0.00 0.00 42.46 39.83 1x4b s ILE 93 CO -0.10 0.31 0.00 -0.67 -1.23 0.00 0.00 174.94 173.26 1x4b n ASP 94 N 2.92 -5.19 0.00 3.58 -0.08 -1.26 -0.66 116.55 115.87 1x4b n ASP 94 Ca -0.16 0.08 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 1x4b n ASP 94 Cb 0.55 -2.99 0.00 0.00 2.34 0.00 0.00 41.12 41.02 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 -0.20 0.59 3.29 0.27 0.00 -1.26 -5.06 105.19 102.81 1x4b n GLY 95 Ca -0.03 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.23 1.15 -0.61 1.61 1.70 0.17 -5.09 118.95 116.65 1x4b s ARG 96 Ca 0.00 -1.30 -0.27 0.00 -0.47 0.00 0.00 55.73 53.70 1x4b s ARG 96 Cb 0.00 -1.18 0.04 0.00 -0.57 0.00 0.00 34.95 33.23 1x4b s ARG 96 CO 0.00 0.24 1.13 0.08 -1.08 0.00 0.00 175.30 175.68 1x4b s VAL 97 N -1.91 4.07 0.86 4.99 1.01 -1.26 -0.09 120.40 128.07 1x4b s VAL 97 Ca 0.11 0.58 -0.08 0.00 0.00 0.00 0.00 61.98 62.60 1x4b s VAL 97 Cb -0.06 -4.71 0.19 0.00 0.00 0.00 0.00 36.38 31.79 1x4b s VAL 97 CO 0.05 -1.39 1.18 1.33 0.00 0.00 0.00 175.10 176.27 1x4b n VAL 98 N 6.46 0.00 -3.28 2.92 0.24 0.05 -4.96 118.33 119.76 1x4b n VAL 98 Ca 0.05 -1.31 -0.04 0.00 -2.04 0.00 0.00 64.34 60.99 1x4b n VAL 98 Cb 0.48 -1.18 -0.05 0.00 -1.47 0.00 0.00 33.84 31.62 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 -5.54 0.43 0.70 7.34 -1.05 0.18 -4.46 118.70 116.30 1x4b s GLU 99 Ca 0.72 0.67 -0.11 0.00 -0.15 0.00 0.00 54.97 56.11 1x4b s GLU 99 Cb -0.03 -0.11 0.01 0.00 -0.44 0.00 0.00 34.13 33.56 1x4b s GLU 99 CO 0.49 -0.66 1.06 -1.25 0.95 0.00 0.00 175.26 175.85 1x4b s PRO 100 N 2.66 2.93 0.14 -4.83 0.04 -1.26 -1.02 135.00 133.66 1x4b s PRO 100 Ca 0.15 0.95 0.01 0.00 0.04 0.00 0.00 61.00 62.15 1x4b s PRO 100 Cb -0.15 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1x4b s PRO 100 CO -0.18 -1.10 -0.00 0.15 0.04 0.00 0.00 177.00 175.90 1x4b s LYS 101 N -5.05 0.99 0.15 4.56 -0.14 0.22 -4.84 119.74 115.63 1x4b s LYS 101 Ca 0.58 -1.46 -0.12 0.00 -1.36 0.00 0.00 55.97 53.62 1x4b s LYS 101 Cb -0.14 -0.12 -0.01 0.00 -1.68 0.00 0.00 37.83 35.88 1x4b s LYS 101 CO 0.55 -0.14 1.54 0.00 -0.76 0.00 0.00 175.35 176.54 1x4b h ARG 102 N 2.81 0.91 -0.87 1.68 3.08 -1.89 -0.78 114.38 119.31 1x4b h ARG 102 Ca -0.36 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.32 1x4b h ARG 102 Cb 1.19 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1x4b h ARG 102 CO 0.62 1.03 0.00 0.00 -1.07 0.00 0.00 179.97 180.55 1x4b n ALA 103 N -2.49 0.00 -2.65 0.04 0.00 -1.26 -3.81 120.51 110.34 1x4b n ALA 103 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1x4b n ALA 103 Cb 0.42 -0.42 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1x4b n ALA 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1x4b s VAL 104 N -2.84 1.59 0.44 0.00 -7.23 -1.26 -4.87 120.40 106.23 1x4b s VAL 104 Ca 0.00 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 1x4b s VAL 104 Cb 0.00 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1x4b s VAL 104 CO 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.79 1x4b n ALA 105 N -1.21 -2.02 -1.45 1.32 0.00 -1.26 -4.78 120.51 111.11 1x4b n ALA 105 Ca -0.11 0.43 -0.47 0.00 0.00 0.00 0.00 53.44 53.29 1x4b n ALA 105 Cb 0.67 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.33 0.34 -3.60 0.00 1.85 -1.26 -4.97 116.66 108.70 1x4b n ARG 106 Ca 0.00 0.12 -0.12 0.00 -1.00 0.00 0.00 57.85 56.85 1x4b n ARG 106 Cb 0.00 -1.23 -0.06 0.00 -1.05 0.00 0.00 32.46 30.12 1x4b n ARG 106 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1x4b s GLU 107 N -1.11 0.69 0.53 2.89 2.02 -1.26 -5.15 118.70 117.31 1x4b s GLU 107 Ca 0.63 0.48 -0.18 0.00 0.02 0.00 0.00 54.97 55.92 1x4b s GLU 107 Cb -0.88 0.33 -0.11 0.00 0.10 0.00 0.00 34.13 33.57 1x4b s GLU 107 CO 0.57 -0.15 0.26 -0.85 0.02 0.00 0.00 175.26 175.11 1x4b n GLU 108 N 1.64 0.30 -3.57 1.61 0.00 -1.26 -5.00 120.64 114.37 1x4b n GLU 108 Ca -0.13 0.12 -0.14 0.00 0.00 0.00 0.00 57.16 57.00 1x4b n GLU 108 Cb 0.56 -1.40 -0.05 0.00 0.00 0.00 0.00 31.44 30.55 1x4b n GLU 108 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1x4b s SER 109 N -1.09 -0.46 0.64 -1.84 1.04 -1.26 -5.17 113.70 105.55 1x4b s SER 109 Ca 0.64 0.23 0.00 0.00 0.48 0.00 0.00 55.95 57.30 1x4b s SER 109 Cb -0.48 0.50 0.08 0.00 0.10 0.00 0.00 66.02 66.22 1x4b s SER 109 CO 0.59 -0.71 0.89 -0.83 0.98 0.00 0.00 173.24 174.16 1x4b s GLY 110 N -1.90 1.79 0.17 7.32 0.00 -1.26 -4.83 107.32 108.60 1x4b s GLY 110 Ca -0.06 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.11 1x4b s GLY 110 CO -0.01 -1.12 0.00 -1.26 0.00 0.00 0.00 173.10 170.71 1x4b n SER 111 N -2.60 -8.45 0.00 1.64 2.88 -1.26 -5.08 113.62 100.75 1x4b n SER 111 Ca 0.12 1.32 0.00 0.00 -1.33 0.00 0.00 58.87 58.98 1x4b n SER 111 Cb 0.60 -4.74 0.00 0.00 -0.75 0.00 0.00 64.21 59.32 1x4b n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4b n GLY 112 N 1.74 0.91 2.60 0.46 0.00 -1.26 -5.03 105.19 104.62 1x4b n GLY 112 Ca 0.00 0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 1x4b n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4b n PRO 113 N 0.00 2.62 -2.71 1.61 -0.04 -1.26 -4.90 135.00 130.32 1x4b n PRO 113 Ca 0.00 -1.90 -0.42 0.00 -0.04 0.00 0.00 63.50 61.14 1x4b n PRO 113 Cb 0.00 -2.74 -0.03 0.00 -0.04 0.00 0.00 33.50 30.69 1x4b n PRO 113 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x4b s SER 114 N 3.22 7.14 0.48 3.54 0.01 -1.26 -4.83 113.70 122.00 1x4b s SER 114 Ca 0.53 1.41 0.00 0.00 1.31 0.00 0.00 55.95 59.19 1x4b s SER 114 Cb 0.14 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1x4b s SER 114 CO -0.03 -0.53 0.00 -1.20 0.41 0.00 0.00 173.24 171.89 1x4b n SER 115 N 5.58 -6.50 0.00 2.44 7.64 -1.26 -5.01 113.62 116.51 1x4b n SER 115 Ca 0.09 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1x4b n SER 115 Cb 0.48 -3.97 0.00 0.00 -1.01 0.00 0.00 64.21 59.70 1x4b n SER 115 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64