#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 -0.00 -0.27 1.61 0.01 -1.26 -5.19 113.70 108.60 1x4b s SER 2 Ca 0.00 0.00 -0.38 0.00 1.31 0.00 0.00 55.95 56.88 1x4b s SER 2 Cb 0.00 0.00 0.15 0.00 0.21 0.00 0.00 66.02 66.39 1x4b s SER 2 CO 0.00 -0.00 1.35 -0.94 0.41 0.00 0.00 173.24 174.06 1x4b s SER 3 N -0.73 -0.03 0.00 2.44 1.04 -1.26 -5.18 113.70 109.97 1x4b s SER 3 Ca 0.09 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1x4b s SER 3 Cb -0.02 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1x4b s SER 3 CO -0.11 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1x4b n GLY 4 N -0.02 1.98 3.21 7.32 0.00 -1.26 -5.16 105.19 111.26 1x4b n GLY 4 Ca 0.05 0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.13 1x4b n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4b s SER 5 N 0.00 -0.25 -0.28 1.61 1.04 -1.26 -5.16 113.70 109.39 1x4b s SER 5 Ca 0.00 0.27 -0.16 0.00 0.48 0.00 0.00 55.95 56.54 1x4b s SER 5 Cb 0.00 1.25 0.10 0.00 0.10 0.00 0.00 66.02 67.47 1x4b s SER 5 CO 0.00 -0.05 0.78 -0.55 0.98 0.00 0.00 173.24 174.40 1x4b s SER 6 N 2.47 -0.82 0.00 7.02 0.15 -1.26 -5.17 113.70 116.09 1x4b s SER 6 Ca -0.02 1.30 0.00 0.00 0.70 0.00 0.00 55.95 57.93 1x4b s SER 6 Cb -0.05 1.35 0.00 0.00 -1.71 0.00 0.00 66.02 65.61 1x4b s SER 6 CO -0.14 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1x4b n GLY 7 N 4.16 4.06 3.39 9.45 0.00 -1.26 -5.18 105.19 119.81 1x4b n GLY 7 Ca -0.19 -1.36 0.03 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.44 0.04 -0.33 1.61 0.00 -1.26 -5.13 119.30 113.79 1x4b s MET 8 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 55.69 55.78 1x4b s MET 8 Cb 0.00 0.03 0.10 0.00 0.00 0.00 0.00 34.83 34.97 1x4b s MET 8 CO 0.00 -0.01 0.10 -1.21 0.00 0.00 0.00 175.02 173.90 1x4b s GLU 9 N 1.61 0.97 0.00 3.16 0.41 -1.26 -4.96 118.70 118.63 1x4b s GLU 9 Ca -0.03 -1.37 -0.00 0.00 -0.41 0.00 0.00 54.97 53.15 1x4b s GLU 9 Cb -0.01 -2.35 -0.00 0.00 -1.78 0.00 0.00 34.13 29.98 1x4b s GLU 9 CO -0.13 -0.99 -0.00 1.63 -0.49 0.00 0.00 175.26 175.28 1x4b n LYS 10 N 4.57 0.00 -3.07 1.61 5.02 -1.26 -5.08 118.16 119.95 1x4b n LYS 10 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 1x4b n LYS 10 Cb 0.41 -0.11 0.01 0.00 -0.02 0.00 0.00 35.03 35.32 1x4b n LYS 10 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1x4b n THR 11 N -2.52 -9.57 -3.89 -0.18 -1.04 -1.26 -4.98 114.28 90.83 1x4b n THR 11 Ca -0.00 0.22 -0.35 0.00 -2.04 0.00 0.00 64.05 61.88 1x4b n THR 11 Cb 0.00 -6.53 -0.13 0.00 -1.82 0.00 0.00 70.33 61.85 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 -3.47 4.17 -0.57 -4.42 0.20 -1.26 -5.01 118.68 108.31 1x4b s LEU 12 Ca 0.12 -1.44 0.05 0.00 0.69 0.00 0.00 54.13 53.55 1x4b s LEU 12 Cb -0.03 -1.73 0.20 0.00 -0.43 0.00 0.00 46.19 44.20 1x4b s LEU 12 CO 0.78 -0.31 0.51 1.21 -0.29 0.00 0.00 176.35 178.25 1x4b n GLU 13 N 4.60 1.40 -0.92 1.98 0.00 -1.26 -5.11 120.64 121.33 1x4b n GLU 13 Ca -0.11 -4.01 -0.35 0.00 0.00 0.00 0.00 57.16 52.70 1x4b n GLU 13 Cb 0.43 -1.97 0.07 0.00 0.00 0.00 0.00 31.44 29.97 1x4b n GLU 13 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1x4b n THR 14 N 1.86 0.00 -4.12 6.31 5.66 -1.26 -4.97 114.28 117.77 1x4b n THR 14 Ca 0.25 -0.38 -0.33 0.00 -3.05 0.00 0.00 64.05 60.54 1x4b n THR 14 Cb 0.42 -0.22 -0.16 0.00 -1.55 0.00 0.00 70.33 68.82 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 -2.14 2.07 0.80 1.08 -7.23 -1.26 -5.12 120.40 108.60 1x4b s VAL 15 Ca 0.46 -0.98 -0.11 0.00 -1.81 0.00 0.00 61.98 59.54 1x4b s VAL 15 Cb -0.18 -1.89 0.07 0.00 0.56 0.00 0.00 36.38 34.94 1x4b s VAL 15 CO 0.77 0.51 1.10 -2.16 -0.31 0.00 0.00 175.10 175.00 1x4b s PRO 16 N 1.28 2.09 0.05 4.82 0.04 -1.26 -4.96 135.00 137.06 1x4b s PRO 16 Ca 0.04 0.64 -0.09 0.00 0.04 0.00 0.00 61.00 61.63 1x4b s PRO 16 Cb -0.13 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 1x4b s PRO 16 CO -0.13 -1.62 1.16 1.25 0.04 0.00 0.00 177.00 177.71 1x4b h LEU 17 N -1.09 -0.64 -7.00 -3.56 5.85 -2.06 -3.45 115.31 103.37 1x4b h LEU 17 Ca -0.47 0.10 0.16 0.00 0.84 0.00 0.00 57.88 58.51 1x4b h LEU 17 Cb 1.27 0.28 -0.28 0.00 0.37 0.00 0.00 40.66 42.30 1x4b h LEU 17 CO 0.59 -0.07 0.75 -1.83 -0.34 0.00 0.00 178.44 177.54 1x4b s GLU 18 N -3.75 0.26 -0.29 1.25 -1.05 -1.26 -5.17 118.70 108.68 1x4b s GLU 18 Ca -0.04 0.17 -0.19 0.00 -0.15 0.00 0.00 54.97 54.76 1x4b s GLU 18 Cb 0.03 0.12 0.17 0.00 -0.44 0.00 0.00 34.13 34.02 1x4b s GLU 18 CO 0.19 -0.06 1.17 0.50 0.95 0.00 0.00 175.26 178.01 1x4b s ARG 19 N -0.50 0.23 0.00 -4.83 6.06 -1.26 -5.10 118.95 113.54 1x4b s ARG 19 Ca 0.05 0.34 0.00 0.00 -2.50 0.00 0.00 55.73 53.62 1x4b s ARG 19 Cb -0.03 0.07 0.00 0.00 0.06 0.00 0.00 34.95 35.05 1x4b s ARG 19 CO -0.08 -0.04 0.00 1.17 -2.50 0.00 0.00 175.30 173.85 1x4b n LYS 20 N 2.83 0.00 0.00 5.12 4.81 -1.26 -4.96 118.16 124.70 1x4b n LYS 20 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 1x4b n LYS 20 Cb 0.57 -0.40 0.00 0.00 0.02 0.00 0.00 35.03 35.22 1x4b n LYS 20 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1x4b n LYS 21 N -2.40 0.00 -3.13 1.64 4.81 -1.26 -4.15 118.16 113.67 1x4b n LYS 21 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 1x4b n LYS 21 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 1x4b n LYS 21 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1x4b s ARG 22 N 0.00 0.56 -0.18 1.64 3.00 -1.26 -5.03 118.95 117.69 1x4b s ARG 22 Ca 0.00 0.12 -0.09 0.00 0.00 0.00 0.00 55.73 55.75 1x4b s ARG 22 Cb 0.00 0.14 -0.22 0.00 0.00 0.00 0.00 34.95 34.88 1x4b s ARG 22 CO 0.00 -0.92 0.17 -1.91 0.00 0.00 0.00 175.30 172.64 1x4b n GLU 23 N 4.80 0.68 0.26 3.54 4.07 -1.26 -3.11 120.64 129.63 1x4b n GLU 23 Ca 0.08 0.32 0.13 0.00 -0.06 0.00 0.00 57.16 57.62 1x4b n GLU 23 Cb 0.57 -1.67 0.72 0.00 -0.06 0.00 0.00 31.44 31.00 1x4b n GLU 23 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1x4b h LYS 24 N -0.28 0.00 0.06 5.31 1.63 -1.95 0.12 116.57 121.46 1x4b h LYS 24 Ca -0.46 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.34 1x4b h LYS 24 Cb 1.81 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.44 1x4b h LYS 24 CO -0.06 0.12 -0.03 1.49 -3.45 0.00 0.00 179.45 177.52 1x4b h GLU 25 N 0.00 -0.08 0.00 1.90 4.81 -1.95 -3.17 114.58 116.09 1x4b h GLU 25 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1x4b h GLU 25 Cb 0.34 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1x4b h GLU 25 CO 0.02 -0.05 0.10 -0.56 -0.73 0.00 0.00 179.01 177.78 1x4b h GLN 26 N -0.63 0.00 -0.39 1.92 3.07 -1.51 0.89 115.11 118.46 1x4b h GLN 26 Ca -0.01 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.58 1x4b h GLN 26 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.62 1x4b h GLN 26 CO 0.01 0.00 -0.36 0.74 0.09 0.00 0.00 178.83 179.31 1x4b h PHE 27 N 0.00 1.10 -0.49 0.06 -1.00 -0.82 -3.25 116.94 112.55 1x4b h PHE 27 Ca 0.00 -0.32 -0.36 0.00 2.81 0.00 0.00 57.97 60.10 1x4b h PHE 27 Cb 0.20 -0.24 -0.29 0.00 3.61 0.00 0.00 35.95 39.24 1x4b h PHE 27 CO 0.00 1.14 -0.73 0.54 -1.61 0.00 0.00 178.31 177.65 1x4b n ARG 28 N -4.06 2.85 -3.91 1.51 1.74 -0.01 -4.96 116.66 109.81 1x4b n ARG 28 Ca -0.02 -3.84 -0.29 0.00 -0.77 0.00 0.00 57.85 52.93 1x4b n ARG 28 Cb 0.53 -2.01 -0.16 0.00 -1.02 0.00 0.00 32.46 29.80 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 -3.43 1.51 -0.07 5.56 2.20 0.10 -3.11 119.74 122.50 1x4b s LYS 29 Ca 0.46 -0.73 -0.03 0.00 -0.36 0.00 0.00 55.97 55.31 1x4b s LYS 29 Cb 0.39 -2.30 -0.04 0.00 -1.51 0.00 0.00 37.83 34.38 1x4b s LYS 29 CO -0.00 -0.51 0.06 -0.51 -0.36 0.00 0.00 175.35 174.03 1x4b s LEU 30 N 1.53 3.90 -0.41 5.43 1.02 -1.04 -4.19 118.68 124.92 1x4b s LEU 30 Ca -0.02 0.23 -0.13 0.00 0.02 0.00 0.00 54.13 54.23 1x4b s LEU 30 Cb -0.17 -2.04 0.04 0.00 0.02 0.00 0.00 46.19 44.04 1x4b s LEU 30 CO -0.07 0.35 0.27 0.12 0.02 0.00 0.00 176.35 177.04 1x4b s PHE 31 N -1.03 3.25 0.01 0.29 2.19 0.13 -0.74 117.98 122.09 1x4b s PHE 31 Ca 0.17 -0.91 -0.29 0.00 0.33 0.00 0.00 56.93 56.23 1x4b s PHE 31 Cb -0.12 -2.66 -0.04 0.00 -1.31 0.00 0.00 43.02 38.89 1x4b s PHE 31 CO 0.07 -0.68 0.92 0.42 1.83 0.00 0.00 175.22 177.77 1x4b s ILE 32 N 1.59 4.82 -0.09 3.12 -1.09 0.63 0.77 121.20 130.95 1x4b s ILE 32 Ca 0.03 1.94 0.04 0.00 -2.23 0.00 0.00 60.65 60.43 1x4b s ILE 32 Cb -0.20 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.41 1x4b s ILE 32 CO 0.07 0.22 -0.23 -0.83 -1.23 0.00 0.00 174.94 172.94 1x4b s GLY 33 N 0.71 1.27 0.00 6.18 0.00 -0.25 -1.25 107.32 113.98 1x4b s GLY 33 Ca 0.48 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 44.28 1x4b s GLY 33 CO 0.26 -0.30 0.00 0.61 0.00 0.00 0.00 173.10 173.68 1x4b n GLY 34 N 3.53 -0.44 0.53 0.20 0.00 0.50 -0.99 105.19 108.51 1x4b n GLY 34 Ca -0.19 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.63 1.95 0.00 0.99 4.77 0.40 -4.28 117.00 120.20 1x4b n LEU 35 Ca 0.00 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1x4b n LEU 35 Cb 0.17 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1x4b n LEU 35 CO 0.00 0.35 0.00 -1.54 -1.33 0.00 0.00 177.39 174.87 1x4b n SER 36 N 0.12 0.00 0.00 -1.43 3.41 -1.26 -3.09 113.62 111.37 1x4b n SER 36 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1x4b n SER 36 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1x4b n SER 36 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1x4b n PHE 37 N -2.00 0.00 0.11 7.33 3.72 -1.26 -4.74 117.46 120.61 1x4b n PHE 37 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 1x4b n PHE 37 Cb 0.00 -0.33 0.06 0.00 -0.94 0.00 0.00 39.48 38.27 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 1.38 -3.51 -1.08 1.02 -1.24 -4.47 120.64 110.73 1x4b n GLU 38 Ca 0.00 -1.37 -0.42 0.00 -0.02 0.00 0.00 57.16 55.35 1x4b n GLU 38 Cb 0.00 -1.16 -0.10 0.00 -0.02 0.00 0.00 31.44 30.16 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 -0.79 4.91 0.62 2.62 2.01 -1.18 -5.05 115.64 118.79 1x4b s THR 39 Ca 0.12 -0.86 -0.12 0.00 0.31 0.00 0.00 61.69 61.13 1x4b s THR 39 Cb 0.07 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 1x4b s THR 39 CO 0.10 -0.34 1.03 0.42 -0.69 0.00 0.00 174.62 175.14 1x4b s THR 40 N 1.60 4.37 0.23 -0.82 -4.23 -1.26 -4.76 115.64 110.77 1x4b s THR 40 Ca 0.03 0.87 -0.18 0.00 -1.18 0.00 0.00 61.69 61.23 1x4b s THR 40 Cb -0.20 -3.65 0.23 0.00 1.34 0.00 0.00 72.50 70.22 1x4b s THR 40 CO 0.08 -0.91 1.55 -0.33 -0.54 0.00 0.00 174.62 174.47 1x4b h GLU 41 N -0.15 -0.01 0.64 3.99 5.08 -1.96 0.95 114.58 123.12 1x4b h GLU 41 Ca -0.45 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 1x4b h GLU 41 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1x4b h GLU 41 CO 0.60 -0.01 -0.47 1.49 -1.00 0.00 0.00 179.01 179.62 1x4b h GLU 42 N -0.01 -1.02 -0.94 2.33 4.81 -1.95 0.11 114.58 117.91 1x4b h GLU 42 Ca 0.34 0.07 0.15 0.00 -0.13 0.00 0.00 59.36 59.79 1x4b h GLU 42 Cb 0.59 0.23 -0.15 0.00 0.63 0.00 0.00 28.75 30.05 1x4b h GLU 42 CO -0.97 -0.68 -0.35 0.43 -0.73 0.00 0.00 179.01 176.71 1x4b n SER 43 N -5.33 -0.57 0.03 1.04 7.64 -0.09 0.10 113.62 116.43 1x4b n SER 43 Ca -0.13 1.63 -0.10 0.00 1.01 0.00 0.00 58.87 61.28 1x4b n SER 43 Cb 0.46 -0.39 -0.05 0.00 -1.01 0.00 0.00 64.21 63.22 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 -0.24 0.02 -3.43 5.85 -0.61 -2.73 115.31 114.17 1x4b h LEU 44 Ca 0.34 0.05 0.03 0.00 0.84 0.00 0.00 57.88 59.14 1x4b h LEU 44 Cb 0.58 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 1x4b h LEU 44 CO -0.94 -0.11 -0.35 0.03 -0.34 0.00 0.00 178.44 176.73 1x4b h ARG 45 N -0.12 -0.50 -1.97 1.25 3.08 0.27 0.41 114.38 116.80 1x4b h ARG 45 Ca 0.05 0.03 0.57 0.00 0.07 0.00 0.00 59.98 60.71 1x4b h ARG 45 Cb 0.18 0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.27 1x4b h ARG 45 CO -0.12 -0.33 1.43 -1.71 -1.07 0.00 0.00 179.97 178.16 1x4b n ASN 46 N -5.43 0.00 -0.05 7.04 5.15 0.22 0.20 115.26 122.38 1x4b n ASN 46 Ca -0.05 0.99 -0.22 0.00 -0.60 0.00 0.00 54.58 54.70 1x4b n ASN 46 Cb 0.34 -0.49 -0.13 0.00 -0.53 0.00 0.00 39.78 38.97 1x4b n ASN 46 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1x4b n TYR 47 N -3.91 1.07 0.05 1.20 9.36 0.58 -4.11 117.16 121.41 1x4b n TYR 47 Ca 0.44 0.32 -0.03 0.00 3.32 0.00 0.00 57.90 61.95 1x4b n TYR 47 Cb 2.02 -1.13 0.14 0.00 -0.63 0.00 0.00 39.34 39.74 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 -3.91 1.17 -0.10 2.98 4.02 0.36 -3.71 117.16 117.97 1x4b n TYR 48 Ca -0.33 -0.69 -0.11 0.00 -0.01 0.00 0.00 57.90 56.75 1x4b n TYR 48 Cb 0.88 -0.42 -0.15 0.00 -0.02 0.00 0.00 39.34 39.63 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 0.04 0.68 0.10 -0.72 1.02 0.53 -4.00 120.64 118.29 1x4b n GLU 49 Ca 0.20 0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 57.25 1x4b n GLU 49 Cb 0.85 -1.54 -0.08 0.00 -0.02 0.00 0.00 31.44 30.65 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 -0.20 -0.91 3.49 3.07 -1.78 -2.63 115.11 116.14 1x4b h GLN 50 Ca -0.53 0.01 0.11 0.00 0.09 0.00 0.00 58.65 58.33 1x4b h GLN 50 Cb 2.17 0.05 -0.08 0.00 0.08 0.00 0.00 27.48 29.70 1x4b h GLN 50 CO 0.01 -0.00 0.55 -1.49 0.09 0.00 0.00 178.83 177.99 1x4b h TRP 51 N -0.37 0.99 -1.50 0.06 6.55 -1.79 -3.45 115.95 116.44 1x4b h TRP 51 Ca -0.02 0.03 0.30 0.00 0.95 0.00 0.00 58.89 60.15 1x4b h TRP 51 Cb 0.29 -0.31 -0.14 0.00 -0.86 0.00 0.00 29.16 28.15 1x4b h TRP 51 CO -0.02 0.38 0.81 0.20 -1.05 0.00 0.00 178.44 178.76 1x4b s GLY 52 N -3.40 -0.37 -0.31 1.49 0.00 -0.99 -4.46 107.32 99.28 1x4b s GLY 52 Ca -0.12 0.92 -0.24 0.00 0.00 0.00 0.00 44.72 45.28 1x4b s GLY 52 CO 0.79 0.23 0.82 0.54 0.00 0.00 0.00 173.10 175.48 1x4b s LYS 53 N -2.47 3.97 0.11 2.90 1.02 -1.25 -3.63 119.74 120.40 1x4b s LYS 53 Ca 0.13 0.63 -0.31 0.00 0.02 0.00 0.00 55.97 56.44 1x4b s LYS 53 Cb 0.03 -3.73 -0.07 0.00 -0.52 0.00 0.00 37.83 33.54 1x4b s LYS 53 CO -0.04 -0.71 1.25 -0.51 -0.92 0.00 0.00 175.35 174.42 1x4b s LEU 54 N 3.04 4.39 0.04 3.17 1.43 -1.26 -2.47 118.68 127.01 1x4b s LEU 54 Ca 0.34 2.17 0.22 0.00 -1.03 0.00 0.00 54.13 55.83 1x4b s LEU 54 Cb -0.14 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.43 1x4b s LEU 54 CO 0.13 -0.49 0.91 0.35 0.23 0.00 0.00 176.35 177.48 1x4b n THR 55 N 3.48 0.15 -3.56 5.49 -2.24 0.50 -4.86 114.28 113.24 1x4b n THR 55 Ca 0.08 -0.28 -0.01 0.00 -2.27 0.00 0.00 64.05 61.57 1x4b n THR 55 Cb 0.45 0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 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 -4.03 -1.08 -0.13 3.42 2.15 -1.11 -4.99 116.67 110.90 1x4b s ASP 56 Ca 0.02 1.38 0.01 0.00 0.43 0.00 0.00 52.55 54.39 1x4b s ASP 56 Cb 0.14 2.17 0.02 0.00 -0.30 0.00 0.00 42.92 44.95 1x4b s ASP 56 CO 0.83 -0.23 -0.13 0.00 -0.17 0.00 0.00 175.17 175.47 1x4b s VAL 58 N 1.38 0.95 -0.19 0.00 1.01 -0.58 -4.98 120.40 117.99 1x4b s VAL 58 Ca 0.02 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1x4b s VAL 58 Cb -0.13 -0.81 0.04 0.00 0.00 0.00 0.00 36.38 35.48 1x4b s VAL 58 CO -0.08 0.28 -0.11 0.54 0.00 0.00 0.00 175.10 175.73 1x4b s VAL 59 N -0.14 1.61 0.25 2.92 0.11 -1.26 0.32 120.40 124.20 1x4b s VAL 59 Ca 0.02 -0.92 -0.30 0.00 -2.93 0.00 0.00 61.98 57.85 1x4b s VAL 59 Cb -0.06 -1.66 -0.09 0.00 -1.53 0.00 0.00 36.38 33.04 1x4b s VAL 59 CO -0.00 0.23 1.33 -0.04 -3.33 0.00 0.00 175.10 173.29 1x4b s MET 60 N 1.42 4.37 -0.05 1.54 -1.94 -0.19 -4.93 119.30 119.52 1x4b s MET 60 Ca 0.00 2.14 0.01 0.00 -1.71 0.00 0.00 55.69 56.13 1x4b s MET 60 Cb -0.15 -3.14 0.02 0.00 2.01 0.00 0.00 34.83 33.56 1x4b s MET 60 CO -0.09 -0.25 -0.05 1.03 -0.01 0.00 0.00 175.02 175.66 1x4b s ARG 61 N -0.67 0.89 -0.03 2.03 0.52 -1.26 -0.43 118.95 119.98 1x4b s ARG 61 Ca 0.55 -0.11 -0.40 0.00 -0.52 0.00 0.00 55.73 55.24 1x4b s ARG 61 Cb -0.38 -0.91 -0.20 0.00 0.52 0.00 0.00 34.95 33.98 1x4b s ARG 61 CO 0.43 -0.10 1.10 -3.47 0.02 0.00 0.00 175.30 173.28 1x4b n ASP 62 N 4.15 0.07 0.09 0.23 -0.08 0.51 -4.70 116.55 116.82 1x4b n ASP 62 Ca -0.23 1.16 -0.07 0.00 -1.51 0.00 0.00 54.79 54.14 1x4b n ASP 62 Cb 0.51 -0.91 0.03 0.00 2.34 0.00 0.00 41.12 43.08 1x4b n ASP 62 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1x4b h PRO 63 N 3.12 0.20 0.06 -0.67 0.13 -1.96 0.93 132.00 133.81 1x4b h PRO 63 Ca -0.50 -0.19 -0.24 0.00 -0.87 0.00 0.00 66.00 64.20 1x4b h PRO 63 Cb 1.42 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.58 1x4b h PRO 63 CO 0.67 0.90 -1.26 0.00 -0.23 0.00 0.00 178.00 178.08 1x4b h ALA 64 N 1.04 0.22 -0.16 -0.56 0.00 -1.97 -3.36 119.26 114.47 1x4b h ALA 64 Ca -0.03 -1.10 -0.18 0.00 0.00 0.00 0.00 54.91 53.60 1x4b h ALA 64 Cb 1.40 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 1x4b h ALA 64 CO 0.12 0.74 -0.65 1.03 0.00 0.00 0.00 179.25 180.49 1x4b h SER 65 N -0.60 0.67 -0.44 0.00 0.87 -1.94 -3.47 113.55 108.65 1x4b h SER 65 Ca -0.30 -0.40 -0.11 0.00 -1.23 0.00 0.00 61.79 59.75 1x4b h SER 65 Cb 1.54 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 63.27 1x4b h SER 65 CO -0.04 1.15 -0.11 1.17 -0.53 0.00 0.00 176.83 178.46 1x4b n LYS 66 N -3.92 -0.40 -4.38 2.24 3.00 0.32 -4.98 118.16 110.04 1x4b n LYS 66 Ca -0.04 0.54 -0.25 0.00 -0.00 0.00 0.00 58.31 58.56 1x4b n LYS 66 Cb 0.67 -4.29 -0.12 0.00 0.00 0.00 0.00 35.03 31.29 1x4b n LYS 66 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1x4b s ARG 67 N -3.10 1.41 0.10 1.64 0.52 -1.18 -4.84 118.95 113.51 1x4b s ARG 67 Ca 0.00 -1.47 -0.32 0.00 -0.52 0.00 0.00 55.73 53.42 1x4b s ARG 67 Cb 0.00 -1.63 -0.11 0.00 0.52 0.00 0.00 34.95 33.73 1x4b s ARG 67 CO 0.00 0.34 1.83 0.43 0.02 0.00 0.00 175.30 177.93 1x4b n SER 68 N 0.28 3.93 0.26 0.23 7.64 -1.26 0.19 113.62 124.89 1x4b n SER 68 Ca -0.13 0.99 0.13 0.00 1.01 0.00 0.00 58.87 60.87 1x4b n SER 68 Cb 0.56 -1.52 0.72 0.00 -1.01 0.00 0.00 64.21 62.97 1x4b n SER 68 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1x4b h ARG 69 N 8.56 0.00 0.00 1.43 3.08 -1.07 -3.41 114.38 122.97 1x4b h ARG 69 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1x4b h ARG 69 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1x4b h ARG 69 CO 0.94 0.12 0.00 0.41 -1.07 0.00 0.00 179.97 180.37 1x4b n GLY 70 N -0.64 1.52 3.54 0.04 0.00 -1.26 -4.81 105.19 103.57 1x4b n GLY 70 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.66 0.00 1.61 -0.12 -1.26 0.19 117.98 115.73 1x4b s PHE 71 Ca 0.00 1.21 0.00 0.00 -0.05 0.00 0.00 56.93 58.09 1x4b s PHE 71 Cb 0.00 0.39 0.00 0.00 -0.63 0.00 0.00 43.02 42.78 1x4b s PHE 71 CO 0.00 -0.57 0.00 0.41 -0.05 0.00 0.00 175.22 175.01 1x4b n GLY 72 N 1.12 3.10 3.12 1.99 0.00 -0.38 -1.02 105.19 113.11 1x4b n GLY 72 Ca -0.18 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.66 1.08 -0.22 1.61 0.40 0.15 -0.27 117.98 118.07 1x4b s PHE 73 Ca 0.00 -0.35 -0.01 0.00 -0.60 0.00 0.00 56.93 55.97 1x4b s PHE 73 Cb 0.00 -0.65 0.07 0.00 0.51 0.00 0.00 43.02 42.95 1x4b s PHE 73 CO 0.00 0.01 0.01 0.14 0.70 0.00 0.00 175.22 176.09 1x4b s VAL 74 N -0.85 0.92 -0.44 -0.44 -7.23 0.08 -1.52 120.40 110.91 1x4b s VAL 74 Ca 0.00 -0.90 -0.17 0.00 -1.81 0.00 0.00 61.98 59.10 1x4b s VAL 74 Cb -0.08 -1.38 0.03 0.00 0.56 0.00 0.00 36.38 35.51 1x4b s VAL 74 CO 0.01 -0.23 0.45 -0.89 -0.31 0.00 0.00 175.10 174.13 1x4b s THR 75 N 1.66 5.09 0.72 5.32 2.01 0.69 -2.51 115.64 128.62 1x4b s THR 75 Ca -0.01 -0.46 -0.12 0.00 0.31 0.00 0.00 61.69 61.41 1x4b s THR 75 Cb -0.18 -4.07 0.17 0.00 0.01 0.00 0.00 72.50 68.43 1x4b s THR 75 CO -0.09 -0.48 0.74 0.49 -0.69 0.00 0.00 174.62 174.59 1x4b n PHE 76 N 5.60 -3.72 -0.10 4.92 3.72 -1.18 0.19 117.46 126.89 1x4b n PHE 76 Ca -0.08 -0.67 -0.11 0.00 -0.05 0.00 0.00 57.45 56.55 1x4b n PHE 76 Cb 0.47 -0.69 -0.14 0.00 -0.94 0.00 0.00 39.48 38.18 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 -3.95 0.78 -4.55 4.37 2.88 -1.03 -4.27 113.62 107.86 1x4b n SER 77 Ca 0.10 -0.03 -0.26 0.00 -1.33 0.00 0.00 58.87 57.35 1x4b n SER 77 Cb 0.37 0.66 -0.11 0.00 -0.75 0.00 0.00 64.21 64.38 1x4b n SER 77 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4b s SER 78 N -5.53 3.31 0.00 -3.46 0.15 -1.26 -5.06 113.70 101.85 1x4b s SER 78 Ca -0.14 -1.40 0.03 0.00 0.70 0.00 0.00 55.95 55.14 1x4b s SER 78 Cb 0.06 -0.20 -0.25 0.00 -1.71 0.00 0.00 66.02 63.93 1x4b s SER 78 CO 0.72 -0.55 0.83 -0.03 1.20 0.00 0.00 173.24 175.41 1x4b h MET 79 N 1.87 0.13 0.93 5.44 4.05 -1.97 -3.27 114.93 122.11 1x4b h MET 79 Ca -0.43 -0.22 -0.05 0.00 -0.28 0.00 0.00 59.70 58.73 1x4b h MET 79 Cb 1.25 0.08 0.01 0.00 -0.80 0.00 0.00 31.60 32.14 1x4b h MET 79 CO 0.76 0.91 -0.45 0.00 0.23 0.00 0.00 176.91 178.36 1x4b h ALA 80 N 0.71 -1.28 -0.48 0.39 0.00 -1.97 0.31 119.26 116.93 1x4b h ALA 80 Ca -0.23 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.46 1x4b h ALA 80 Cb 1.97 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 20.16 1x4b h ALA 80 CO 0.12 -1.19 -0.53 0.93 0.00 0.00 0.00 179.25 178.59 1x4b h GLU 81 N -1.31 -0.30 -0.71 0.00 5.08 -1.78 0.34 114.58 115.91 1x4b h GLU 81 Ca -0.13 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.37 1x4b h GLU 81 Cb 0.96 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.19 1x4b h GLU 81 CO 0.21 -0.20 0.29 -0.24 -1.00 0.00 0.00 179.01 178.08 1x4b h VAL 82 N -0.31 0.73 -0.52 3.13 3.04 -1.60 0.56 116.25 121.28 1x4b h VAL 82 Ca 0.08 -0.16 0.13 0.00 -1.01 0.00 0.00 66.70 65.74 1x4b h VAL 82 Cb 0.53 0.22 -0.03 0.00 -2.01 0.00 0.00 31.29 30.00 1x4b h VAL 82 CO -0.61 0.09 0.37 0.44 -1.01 0.00 0.00 177.57 176.84 1x4b h ASP 83 N 0.47 0.13 0.13 3.17 5.19 0.28 -0.70 116.42 125.09 1x4b h ASP 83 Ca 0.37 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.78 1x4b h ASP 83 Cb 0.50 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.99 1x4b h ASP 83 CO -0.34 0.07 -0.06 0.00 -3.12 0.00 0.00 179.24 175.79 1x4b h ALA 84 N 1.74 -0.17 -0.96 3.45 0.00 0.37 -2.19 119.26 121.49 1x4b h ALA 84 Ca 0.25 -0.20 0.22 0.00 0.00 0.00 0.00 54.91 55.18 1x4b h ALA 84 Cb 0.80 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 1x4b h ALA 84 CO -0.03 -0.39 0.63 0.00 0.00 0.00 0.00 179.25 179.45 1x4b h ALA 85 N 0.20 2.18 0.65 0.00 0.00 -0.36 0.41 119.26 122.34 1x4b h ALA 85 Ca -0.02 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1x4b h ALA 85 Cb 0.46 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1x4b h ALA 85 CO 0.03 -0.51 -0.31 0.52 0.00 0.00 0.00 179.25 178.98 1x4b h MET 86 N 0.43 -0.84 -1.28 0.00 2.07 -1.07 -2.99 114.93 111.26 1x4b h MET 86 Ca 0.52 0.06 -0.39 0.00 -2.07 0.00 0.00 59.70 57.82 1x4b h MET 86 Cb 1.26 0.19 -0.18 0.00 -1.87 0.00 0.00 31.60 31.00 1x4b h MET 86 CO -0.23 -0.52 0.50 0.00 1.07 0.00 0.00 176.91 177.73 1x4b n ALA 87 N -2.60 5.12 -0.04 6.32 0.00 -0.51 -3.77 120.51 125.03 1x4b n ALA 87 Ca -0.12 -2.01 -0.04 0.00 0.00 0.00 0.00 53.44 51.26 1x4b n ALA 87 Cb 0.37 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.13 1.81 -1.00 0.00 0.00 0.13 -4.96 120.51 116.37 1x4b n ALA 88 Ca 0.38 -0.49 -0.36 0.00 0.00 0.00 0.00 53.44 52.96 1x4b n ALA 88 Cb 0.78 0.12 0.04 0.00 0.00 0.00 0.00 19.45 20.40 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 -2.38 -0.01 -1.41 0.00 1.74 -1.23 -4.77 116.66 108.60 1x4b n ARG 89 Ca -0.14 -0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.66 1x4b n ARG 89 Cb 0.74 -1.02 0.22 0.00 -1.02 0.00 0.00 32.46 31.38 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 2.41 -2.11 -3.84 5.56 -0.04 -1.26 -5.13 135.00 130.59 1x4b n PRO 90 Ca -0.02 -1.81 -0.12 0.00 -0.04 0.00 0.00 63.50 61.52 1x4b n PRO 90 Cb 0.57 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 32.51 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 -3.33 -0.06 -0.03 0.54 3.76 -1.26 -5.09 115.29 109.82 1x4b s HIS 91 Ca 0.69 0.09 0.02 0.00 -0.15 0.00 0.00 55.06 55.71 1x4b s HIS 91 Cb -0.04 0.01 0.01 0.00 1.11 0.00 0.00 32.58 33.66 1x4b s HIS 91 CO 0.51 -0.27 -0.09 -1.12 -0.85 0.00 0.00 174.74 172.93 1x4b s SER 92 N -1.06 1.19 -0.03 1.40 0.01 -1.26 -0.64 113.70 113.32 1x4b s SER 92 Ca -0.11 -0.18 0.02 0.00 1.31 0.00 0.00 55.95 56.98 1x4b s SER 92 Cb -0.06 -0.36 0.01 0.00 0.21 0.00 0.00 66.02 65.82 1x4b s SER 92 CO 0.02 0.05 -0.07 -0.63 0.41 0.00 0.00 173.24 173.02 1x4b s ILE 93 N 0.30 0.68 0.00 1.44 -1.09 0.11 -4.70 121.20 117.95 1x4b s ILE 93 Ca -0.05 -0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.11 1x4b s ILE 93 Cb -0.10 -0.64 0.00 0.00 -1.58 0.00 0.00 42.46 40.15 1x4b s ILE 93 CO 0.01 0.23 0.00 -0.67 -1.23 0.00 0.00 174.94 173.28 1x4b n ASP 94 N 3.58 -3.44 0.00 3.58 -0.08 -1.26 -1.28 116.55 117.65 1x4b n ASP 94 Ca -0.21 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.07 1x4b n ASP 94 Cb 0.53 -1.85 0.00 0.00 2.34 0.00 0.00 41.12 42.14 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 -1.21 0.07 3.95 0.27 0.00 -1.26 -5.07 105.19 101.95 1x4b n GLY 95 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.95 3.24 -0.38 1.61 1.70 -0.41 -5.05 118.95 118.72 1x4b s ARG 96 Ca 0.00 -0.47 -0.17 0.00 -0.47 0.00 0.00 55.73 54.61 1x4b s ARG 96 Cb 0.00 -2.63 0.00 0.00 -0.57 0.00 0.00 34.95 31.76 1x4b s ARG 96 CO 0.00 -0.07 0.46 0.08 -1.08 0.00 0.00 175.30 174.70 1x4b s VAL 97 N -2.42 5.06 0.65 4.99 1.01 -1.26 0.10 120.40 128.52 1x4b s VAL 97 Ca 0.44 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.47 1x4b s VAL 97 Cb -0.10 -3.98 0.12 0.00 0.00 0.00 0.00 36.38 32.43 1x4b s VAL 97 CO 0.36 -0.29 0.89 1.33 0.00 0.00 0.00 175.10 177.39 1x4b n VAL 98 N 5.43 0.00 -3.25 2.92 0.24 0.19 -4.95 118.33 118.90 1x4b n VAL 98 Ca -0.06 -1.53 -0.03 0.00 -2.04 0.00 0.00 64.34 60.68 1x4b n VAL 98 Cb 0.48 -0.85 -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 -4.81 0.46 0.74 7.34 1.03 -0.16 -4.32 118.70 118.97 1x4b s GLU 99 Ca 0.60 0.70 -0.11 0.00 0.03 0.00 0.00 54.97 56.20 1x4b s GLU 99 Cb -0.04 0.01 0.03 0.00 -0.80 0.00 0.00 34.13 33.34 1x4b s GLU 99 CO 0.40 -0.69 1.07 -1.25 -1.33 0.00 0.00 175.26 173.46 1x4b s PRO 100 N 2.69 2.61 0.04 -4.83 0.04 -1.26 -1.09 135.00 133.20 1x4b s PRO 100 Ca 0.16 0.83 -0.01 0.00 0.04 0.00 0.00 61.00 62.02 1x4b s PRO 100 Cb -0.15 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 1x4b s PRO 100 CO -0.20 -1.30 -0.03 0.15 0.04 0.00 0.00 177.00 175.66 1x4b s LYS 101 N -5.09 0.48 0.34 4.56 -0.14 0.23 -4.83 119.74 115.29 1x4b s LYS 101 Ca 0.59 -0.96 0.02 0.00 -1.36 0.00 0.00 55.97 54.26 1x4b s LYS 101 Cb -0.14 0.16 0.60 0.00 -1.68 0.00 0.00 37.83 36.77 1x4b s LYS 101 CO 0.55 -0.08 1.96 -0.09 -0.76 0.00 0.00 175.35 176.93 1x4b h ARG 102 N 3.80 0.78 0.00 1.68 2.43 -1.88 0.36 114.38 121.55 1x4b h ARG 102 Ca -0.33 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1x4b h ARG 102 Cb 1.17 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1x4b h ARG 102 CO 0.55 0.58 0.00 0.00 -1.51 0.00 0.00 179.97 179.59 1x4b n ALA 103 N -2.45 0.00 -2.89 2.80 0.00 -1.26 -3.98 120.51 112.73 1x4b n ALA 103 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.19 1x4b n ALA 103 Cb 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.51 1x4b n ALA 103 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x4b s VAL 104 N -3.13 5.35 -0.00 0.00 1.01 -1.26 -4.85 120.40 117.52 1x4b s VAL 104 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 1x4b s VAL 104 Cb 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1x4b s VAL 104 CO 0.00 0.08 0.02 0.00 0.00 0.00 0.00 175.10 175.21 1x4b n ALA 105 N 0.12 -2.36 -0.15 5.51 0.00 -1.26 -5.03 120.51 117.34 1x4b n ALA 105 Ca -0.05 0.56 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1x4b n ALA 105 Cb 0.52 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 1.46 0.00 -0.81 0.00 0.63 -1.26 -5.10 116.66 111.57 1x4b n ARG 106 Ca -0.04 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.56 1x4b n ARG 106 Cb 0.06 0.00 0.11 0.00 0.45 0.00 0.00 32.46 33.08 1x4b n ARG 106 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1x4b n GLU 107 N -1.65 -0.30 -3.75 -0.14 0.00 -1.26 -5.03 120.64 108.51 1x4b n GLU 107 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 57.16 56.99 1x4b n GLU 107 Cb 0.00 -1.76 -0.08 0.00 0.00 0.00 0.00 31.44 29.60 1x4b n GLU 107 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1x4b s GLU 108 N -3.46 0.77 -0.15 3.44 2.02 -1.26 -5.15 118.70 114.90 1x4b s GLU 108 Ca 0.55 -0.40 -0.04 0.00 0.02 0.00 0.00 54.97 55.10 1x4b s GLU 108 Cb -0.20 0.34 -0.03 0.00 0.10 0.00 0.00 34.13 34.33 1x4b s GLU 108 CO 0.69 -0.24 -0.01 -1.54 0.02 0.00 0.00 175.26 174.18 1x4b s SER 109 N -1.83 5.05 -0.02 -0.19 1.04 -1.26 -5.02 113.70 111.47 1x4b s SER 109 Ca -0.08 -0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.29 1x4b s SER 109 Cb -0.02 -1.78 -0.01 0.00 0.10 0.00 0.00 66.02 64.31 1x4b s SER 109 CO -0.01 0.20 -0.04 0.61 0.98 0.00 0.00 173.24 174.98 1x4b n GLY 110 N 3.33 -0.53 3.11 7.32 0.00 -1.26 -5.07 105.19 112.09 1x4b n GLY 110 Ca -0.17 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.11 0.22 0.20 1.61 0.15 -1.26 -5.17 113.70 105.34 1x4b s SER 111 Ca -0.03 -0.60 0.10 0.00 0.70 0.00 0.00 55.95 56.12 1x4b s SER 111 Cb 0.00 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 1x4b s SER 111 CO 0.05 -0.52 -0.21 -0.83 1.20 0.00 0.00 173.24 172.93 1x4b s GLY 112 N -2.24 1.64 0.49 9.45 0.00 -1.26 -5.13 107.32 110.27 1x4b s GLY 112 Ca -0.03 -1.65 -0.20 0.00 0.00 0.00 0.00 44.72 42.84 1x4b s GLY 112 CO -0.06 -1.70 1.04 2.56 0.00 0.00 0.00 173.10 174.95 1x4b s PRO 113 N -2.93 3.78 -0.10 2.90 0.04 -1.26 -5.06 135.00 132.37 1x4b s PRO 113 Ca 0.21 1.35 0.03 0.00 0.04 0.00 0.00 61.00 62.63 1x4b s PRO 113 Cb -0.06 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1x4b s PRO 113 CO 0.10 -0.45 -0.18 0.45 0.04 0.00 0.00 177.00 176.95 1x4b s SER 114 N -2.03 2.57 -0.62 6.66 0.15 -1.26 -5.09 113.70 114.09 1x4b s SER 114 Ca 0.67 -0.46 -0.25 0.00 0.70 0.00 0.00 55.95 56.60 1x4b s SER 114 Cb -0.16 -1.18 0.04 0.00 -1.71 0.00 0.00 66.02 63.01 1x4b s SER 114 CO 0.21 0.08 1.08 -0.44 1.20 0.00 0.00 173.24 175.37 1x4b s SER 115 N 0.64 6.29 0.00 5.45 0.01 -1.26 -5.37 113.70 119.46 1x4b s SER 115 Ca -0.13 -0.38 0.26 0.00 1.31 0.00 0.00 55.95 57.00 1x4b s SER 115 Cb -0.16 -2.49 1.53 0.00 0.21 0.00 0.00 66.02 65.11 1x4b s SER 115 CO 0.04 -1.47 1.89 0.61 0.41 0.00 0.00 173.24 174.71