#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 -0.67 -0.25 1.61 0.15 -1.26 -5.17 113.70 108.12 1x4b s SER 2 Ca 0.00 0.31 -0.27 0.00 0.70 0.00 0.00 55.95 56.69 1x4b s SER 2 Cb 0.00 1.52 0.14 0.00 -1.71 0.00 0.00 66.02 65.97 1x4b s SER 2 CO 0.00 -0.12 1.14 -0.55 1.20 0.00 0.00 173.24 174.90 1x4b s SER 3 N 2.93 -0.31 -0.42 5.45 0.15 -1.26 -5.09 113.70 115.16 1x4b s SER 3 Ca 0.09 0.50 0.09 0.00 0.70 0.00 0.00 55.95 57.33 1x4b s SER 3 Cb -0.09 0.47 0.29 0.00 -1.71 0.00 0.00 66.02 64.98 1x4b s SER 3 CO -0.16 -0.17 0.64 0.61 1.20 0.00 0.00 173.24 175.37 1x4b n GLY 4 N 1.48 3.50 3.15 9.45 0.00 -1.26 -5.01 105.19 116.49 1x4b n GLY 4 Ca -0.10 -1.81 0.05 0.00 0.00 0.00 0.00 46.02 44.16 1x4b n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4b s SER 5 N -1.90 -0.66 -0.97 1.61 0.15 -1.26 -5.09 113.70 105.58 1x4b s SER 5 Ca 0.38 0.20 -0.15 0.00 0.70 0.00 0.00 55.95 57.08 1x4b s SER 5 Cb 0.24 1.47 0.19 0.00 -1.71 0.00 0.00 66.02 66.21 1x4b s SER 5 CO -0.09 -0.12 1.05 -0.55 1.20 0.00 0.00 173.24 174.73 1x4b s SER 6 N 2.93 6.85 -0.08 5.45 0.15 -1.26 -4.76 113.70 122.99 1x4b s SER 6 Ca 0.15 -2.66 -0.07 0.00 0.70 0.00 0.00 55.95 54.08 1x4b s SER 6 Cb -0.07 -2.31 0.01 0.00 -1.71 0.00 0.00 66.02 61.95 1x4b s SER 6 CO -0.19 -0.73 0.12 0.61 1.20 0.00 0.00 173.24 174.25 1x4b n GLY 7 N 4.32 0.03 1.79 9.45 0.00 -1.26 -4.94 105.19 114.59 1x4b n GLY 7 Ca 0.22 0.20 -0.15 0.00 0.00 0.00 0.00 46.02 46.30 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 0.99 -1.44 0.00 1.61 2.00 -1.26 -4.98 117.12 114.03 1x4b n MET 8 Ca -0.02 -0.92 0.00 0.00 0.00 0.00 0.00 57.70 56.76 1x4b n MET 8 Cb 0.51 -0.75 0.00 0.00 0.00 0.00 0.00 33.22 32.98 1x4b n MET 8 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1x4b n GLU 9 N -2.81 0.00 -1.83 0.03 0.00 -1.26 -5.01 120.64 109.76 1x4b n GLU 9 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.83 1x4b n GLU 9 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.72 1x4b n GLU 9 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1x4b n LYS 10 N -0.54 3.45 -3.19 3.44 4.81 -1.26 -4.56 118.16 120.31 1x4b n LYS 10 Ca 0.00 -2.87 -0.19 0.00 -0.87 0.00 0.00 58.31 54.38 1x4b n LYS 10 Cb 0.00 -3.01 -0.04 0.00 0.02 0.00 0.00 35.03 32.01 1x4b n LYS 10 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1x4b n THR 11 N 3.89 -0.18 -2.69 3.15 5.66 -1.26 -4.93 114.28 117.92 1x4b n THR 11 Ca 0.56 -4.53 -0.06 0.00 -3.05 0.00 0.00 64.05 56.97 1x4b n THR 11 Cb 0.33 -0.52 0.07 0.00 -1.55 0.00 0.00 70.33 68.67 1x4b n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x4b n LEU 12 N 0.43 -1.80 -4.71 1.09 -0.00 -1.26 -5.16 117.00 105.59 1x4b n LEU 12 Ca 0.25 -2.34 -0.24 0.00 -0.00 0.00 0.00 56.01 53.68 1x4b n LEU 12 Cb 0.64 0.72 -0.06 0.00 -0.00 0.00 0.00 43.42 44.71 1x4b n LEU 12 CO 0.21 1.73 -0.27 -1.61 -0.00 0.00 0.00 177.39 177.44 1x4b s GLU 13 N 0.27 2.53 -0.06 1.47 8.01 -1.26 -4.91 118.70 124.75 1x4b s GLU 13 Ca 0.27 -1.22 -0.05 0.00 0.01 0.00 0.00 54.97 53.98 1x4b s GLU 13 Cb 0.23 -2.34 0.02 0.00 -4.31 0.00 0.00 34.13 27.72 1x4b s GLU 13 CO -0.14 0.40 0.10 2.41 0.01 0.00 0.00 175.26 178.03 1x4b n THR 14 N -0.80 -9.74 -1.42 3.63 -1.04 -1.26 -4.92 114.28 98.74 1x4b n THR 14 Ca -0.08 2.18 -0.32 0.00 -2.04 0.00 0.00 64.05 63.79 1x4b n THR 14 Cb 0.58 -5.15 0.08 0.00 -1.82 0.00 0.00 70.33 64.02 1x4b n THR 14 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1x4b s VAL 15 N -0.46 3.00 0.04 12.58 -7.23 -1.26 -4.85 120.40 122.22 1x4b s VAL 15 Ca -0.11 0.40 -0.30 0.00 -1.81 0.00 0.00 61.98 60.16 1x4b s VAL 15 Cb 0.01 -2.86 -0.05 0.00 0.56 0.00 0.00 36.38 34.04 1x4b s VAL 15 CO 0.30 -0.35 1.17 -2.16 -0.31 0.00 0.00 175.10 173.75 1x4b s PRO 16 N -4.41 4.44 0.09 4.82 0.04 -1.26 -4.77 135.00 133.95 1x4b s PRO 16 Ca 0.66 1.71 0.05 0.00 0.04 0.00 0.00 61.00 63.46 1x4b s PRO 16 Cb -0.21 -3.39 -0.03 0.00 0.04 0.00 0.00 34.50 30.91 1x4b s PRO 16 CO 0.49 -0.26 -0.12 -1.17 0.04 0.00 0.00 177.00 175.98 1x4b s LEU 17 N 1.22 2.36 0.39 -3.56 2.96 -1.26 -5.12 118.68 115.67 1x4b s LEU 17 Ca 0.58 -0.74 -0.25 0.00 -0.22 0.00 0.00 54.13 53.49 1x4b s LEU 17 Cb -0.28 -0.44 -0.09 0.00 0.50 0.00 0.00 46.19 45.89 1x4b s LEU 17 CO 0.28 -0.17 1.15 -1.83 -1.32 0.00 0.00 176.35 174.47 1x4b s GLU 18 N -2.38 4.10 -0.10 1.98 -1.05 -1.26 -4.85 118.70 115.15 1x4b s GLU 18 Ca 0.04 1.80 -0.15 0.00 -0.15 0.00 0.00 54.97 56.51 1x4b s GLU 18 Cb -0.06 -2.69 0.03 0.00 -0.44 0.00 0.00 34.13 30.97 1x4b s GLU 18 CO 0.02 -0.27 0.37 1.03 0.95 0.00 0.00 175.26 177.36 1x4b s ARG 19 N -2.27 0.56 -0.97 -4.83 1.81 -1.26 -4.99 118.95 107.00 1x4b s ARG 19 Ca 0.56 0.27 -0.11 0.00 -1.72 0.00 0.00 55.73 54.73 1x4b s ARG 19 Cb -0.30 0.26 0.25 0.00 -0.45 0.00 0.00 34.95 34.71 1x4b s ARG 19 CO 0.38 -0.11 0.94 0.21 -0.68 0.00 0.00 175.30 176.03 1x4b s LYS 20 N -0.40 3.89 0.77 3.54 2.36 -1.26 -5.03 119.74 123.61 1x4b s LYS 20 Ca -0.05 -2.86 -0.08 0.00 -2.55 0.00 0.00 55.97 50.43 1x4b s LYS 20 Cb -0.03 -4.48 0.10 0.00 -1.05 0.00 0.00 37.83 32.36 1x4b s LYS 20 CO 0.02 -1.26 1.09 0.15 1.55 0.00 0.00 175.35 176.90 1x4b s LYS 21 N -0.58 1.80 -0.08 4.03 -0.14 -1.26 -5.08 119.74 118.42 1x4b s LYS 21 Ca 0.24 -0.37 -0.00 0.00 -1.36 0.00 0.00 55.97 54.48 1x4b s LYS 21 Cb -0.10 -2.11 -0.03 0.00 -1.68 0.00 0.00 37.83 33.91 1x4b s LYS 21 CO -0.08 -1.53 -0.04 1.03 -0.76 0.00 0.00 175.35 173.96 1x4b s ARG 22 N -5.39 2.90 -0.05 1.68 3.00 -1.26 -5.03 118.95 114.81 1x4b s ARG 22 Ca 0.64 -0.50 -0.26 0.00 0.00 0.00 0.00 55.73 55.61 1x4b s ARG 22 Cb -0.09 -2.68 -0.22 0.00 0.00 0.00 0.00 34.95 31.97 1x4b s ARG 22 CO 0.47 0.64 1.14 0.93 0.00 0.00 0.00 175.30 178.48 1x4b h GLU 23 N 5.33 0.04 0.00 3.54 3.07 -1.98 0.80 114.58 125.38 1x4b h GLU 23 Ca -0.48 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.35 1x4b h GLU 23 Cb 1.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 1x4b h GLU 23 CO 0.54 0.65 0.00 -0.22 -1.40 0.00 0.00 179.01 178.58 1x4b h LYS 24 N -0.57 0.00 0.00 2.33 1.63 -1.99 0.49 116.57 118.46 1x4b h LYS 24 Ca -0.00 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.61 1x4b h LYS 24 Cb 0.66 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.26 1x4b h LYS 24 CO 0.01 0.00 -1.27 -1.91 -3.45 0.00 0.00 179.45 172.83 1x4b n GLU 25 N -2.38 0.53 0.04 1.90 2.13 -1.12 -3.90 120.64 117.84 1x4b n GLU 25 Ca 0.01 0.46 0.06 0.00 0.66 0.00 0.00 57.16 58.35 1x4b n GLU 25 Cb 0.18 -1.65 0.27 0.00 0.27 0.00 0.00 31.44 30.51 1x4b n GLU 25 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x4b n GLN 26 N -4.45 0.05 0.03 5.31 10.64 0.28 0.78 117.38 130.02 1x4b n GLN 26 Ca -0.27 0.41 -0.19 0.00 -1.83 0.00 0.00 57.00 55.12 1x4b n GLN 26 Cb 0.59 -1.61 -0.13 0.00 -0.86 0.00 0.00 30.24 28.22 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 0.58 0.00 2.61 -1.00 -1.06 -3.33 116.94 114.74 1x4b h PHE 27 Ca 0.00 -0.37 0.00 0.00 2.81 0.00 0.00 57.97 60.41 1x4b h PHE 27 Cb 0.15 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.67 1x4b h PHE 27 CO 0.00 1.25 -1.08 0.54 -1.61 0.00 0.00 178.31 177.41 1x4b n ARG 28 N -4.16 0.19 -3.01 1.51 1.74 -0.87 -4.84 116.66 107.21 1x4b n ARG 28 Ca -0.12 -0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.51 1x4b n ARG 28 Cb 0.76 -1.54 -0.06 0.00 -1.02 0.00 0.00 32.46 30.61 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 -3.14 3.94 0.35 5.56 2.20 0.23 -2.90 119.74 125.99 1x4b s LYS 29 Ca 0.05 0.47 0.08 0.00 -0.36 0.00 0.00 55.97 56.21 1x4b s LYS 29 Cb 0.15 -3.73 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 1x4b s LYS 29 CO 0.83 -0.63 0.17 -0.51 -0.36 0.00 0.00 175.35 174.85 1x4b s LEU 30 N 2.81 3.28 -0.36 5.43 1.02 -0.45 -2.74 118.68 127.66 1x4b s LEU 30 Ca 0.29 -0.78 -0.02 0.00 0.02 0.00 0.00 54.13 53.65 1x4b s LEU 30 Cb -0.14 -1.76 0.09 0.00 0.02 0.00 0.00 46.19 44.39 1x4b s LEU 30 CO 0.12 -0.34 0.11 0.12 0.02 0.00 0.00 176.35 176.38 1x4b s PHE 31 N -2.43 3.50 0.03 0.29 2.19 0.15 -2.07 117.98 119.63 1x4b s PHE 31 Ca 0.39 -2.30 -0.30 0.00 0.33 0.00 0.00 56.93 55.05 1x4b s PHE 31 Cb -0.02 -2.79 -0.04 0.00 -1.31 0.00 0.00 43.02 38.86 1x4b s PHE 31 CO 0.23 -0.91 1.03 0.42 1.83 0.00 0.00 175.22 177.82 1x4b s ILE 32 N 1.15 4.62 -0.03 3.12 -1.09 0.37 0.44 121.20 129.79 1x4b s ILE 32 Ca 0.04 1.93 0.06 0.00 -2.23 0.00 0.00 60.65 60.44 1x4b s ILE 32 Cb -0.21 -4.23 -0.01 0.00 -1.58 0.00 0.00 42.46 36.42 1x4b s ILE 32 CO -0.04 0.17 -0.20 -0.83 -1.23 0.00 0.00 174.94 172.82 1x4b s GLY 33 N 0.86 1.01 0.00 6.18 0.00 -0.21 -1.04 107.32 114.12 1x4b s GLY 33 Ca 0.53 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 44.39 1x4b s GLY 33 CO 0.29 -0.64 0.00 0.61 0.00 0.00 0.00 173.10 173.35 1x4b n GLY 34 N 2.73 0.26 1.11 0.20 0.00 0.33 0.27 105.19 110.10 1x4b n GLY 34 Ca -0.16 -0.40 0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.73 3.57 0.00 0.99 4.77 0.12 -4.25 117.00 121.48 1x4b n LEU 35 Ca 0.00 -1.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.07 1x4b n LEU 35 Cb 0.33 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1x4b n LEU 35 CO 0.00 0.88 0.00 -0.24 -1.33 0.00 0.00 177.39 176.70 1x4b n SER 36 N 1.30 0.00 0.00 -1.43 2.88 -1.26 -2.94 113.62 112.17 1x4b n SER 36 Ca 0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1x4b n SER 36 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 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 -0.05 0.66 3.01 -1.26 -4.72 117.46 115.10 1x4b n PHE 37 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.24 1x4b n PHE 37 Cb 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.34 1x4b n PHE 37 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1x4b h GLU 38 N 0.00 0.13 -4.44 -1.08 3.07 -1.89 -3.26 114.58 107.10 1x4b h GLU 38 Ca 0.00 -0.21 -0.40 0.00 -0.50 0.00 0.00 59.36 58.24 1x4b h GLU 38 Cb 0.00 0.08 -0.09 0.00 -0.84 0.00 0.00 28.75 27.90 1x4b h GLU 38 CO 0.00 1.10 1.64 2.41 -1.40 0.00 0.00 179.01 182.77 1x4b n THR 39 N -4.04 0.00 -2.12 1.13 -1.04 -1.15 -4.85 114.28 102.22 1x4b n THR 39 Ca -0.31 -0.14 -0.28 0.00 -2.04 0.00 0.00 64.05 61.28 1x4b n THR 39 Cb 0.84 -0.30 0.17 0.00 -1.82 0.00 0.00 70.33 69.21 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 5.41 2.03 0.15 12.58 -4.23 -1.26 -4.76 115.64 125.56 1x4b s THR 40 Ca 1.20 -0.17 -0.19 0.00 -1.18 0.00 0.00 61.69 61.35 1x4b s THR 40 Cb -1.00 -2.86 0.05 0.00 1.34 0.00 0.00 72.50 70.02 1x4b s THR 40 CO 0.46 0.00 1.67 -0.33 -0.54 0.00 0.00 174.62 175.88 1x4b h GLU 41 N -1.35 -0.03 0.64 3.99 5.08 -1.89 0.75 114.58 121.76 1x4b h GLU 41 Ca -0.42 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 1x4b h GLU 41 Cb 1.24 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.51 1x4b h GLU 41 CO 0.38 -0.02 -0.31 1.49 -1.00 0.00 0.00 179.01 179.55 1x4b h GLU 42 N -0.03 -0.83 -0.97 2.33 4.81 -1.93 -0.46 114.58 117.50 1x4b h GLU 42 Ca 0.16 0.06 0.24 0.00 -0.13 0.00 0.00 59.36 59.69 1x4b h GLU 42 Cb 0.27 0.19 -0.18 0.00 0.63 0.00 0.00 28.75 29.66 1x4b h GLU 42 CO -0.34 -0.55 -0.05 0.43 -0.73 0.00 0.00 179.01 177.76 1x4b n SER 43 N -4.64 -0.18 0.25 1.04 7.64 -1.13 0.16 113.62 116.77 1x4b n SER 43 Ca -0.11 1.65 -0.10 0.00 1.01 0.00 0.00 58.87 61.32 1x4b n SER 43 Cb 0.34 -0.57 -0.05 0.00 -1.01 0.00 0.00 64.21 62.92 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 -0.54 -0.76 -3.43 5.85 -0.73 -2.95 115.31 112.75 1x4b h LEU 44 Ca 0.55 0.02 0.17 0.00 0.84 0.00 0.00 57.88 59.46 1x4b h LEU 44 Cb 1.06 0.14 -0.13 0.00 0.37 0.00 0.00 40.66 42.10 1x4b h LEU 44 CO -0.93 -0.37 0.04 0.03 -0.34 0.00 0.00 178.44 176.86 1x4b h ARG 45 N -0.66 0.12 -0.67 1.25 3.08 0.89 1.42 114.38 119.81 1x4b h ARG 45 Ca -0.06 -0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.17 1x4b h ARG 45 Cb 0.49 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1x4b h ARG 45 CO 0.11 0.08 0.80 -0.97 -1.07 0.00 0.00 179.97 178.91 1x4b h ASN 46 N 0.12 0.00 0.02 7.04 -1.24 0.17 1.55 115.58 123.25 1x4b h ASN 46 Ca 0.42 0.00 -0.33 0.00 0.71 0.00 0.00 56.30 57.10 1x4b h ASN 46 Cb 0.75 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.76 1x4b h ASN 46 CO -0.65 0.00 -1.85 0.00 -1.29 0.00 0.00 177.43 173.64 1x4b n TYR 47 N -3.45 0.70 -0.04 0.67 9.36 0.47 -4.24 117.16 120.63 1x4b n TYR 47 Ca 0.14 0.25 -0.06 0.00 3.32 0.00 0.00 57.90 61.55 1x4b n TYR 47 Cb 1.03 -1.08 0.13 0.00 -0.63 0.00 0.00 39.34 38.79 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 -4.11 1.34 0.63 2.98 4.01 0.49 -3.69 117.16 118.81 1x4b n TYR 48 Ca -0.39 -0.85 0.11 0.00 -0.16 0.00 0.00 57.90 56.60 1x4b n TYR 48 Cb 0.83 -0.48 -0.11 0.00 -0.31 0.00 0.00 39.34 39.27 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 -0.07 0.24 0.05 -0.72 1.02 0.50 -4.02 120.64 117.64 1x4b n GLU 49 Ca 0.23 -0.06 -0.03 0.00 -0.02 0.00 0.00 57.16 57.28 1x4b n GLU 49 Cb 0.94 -1.52 -0.02 0.00 -0.02 0.00 0.00 31.44 30.83 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 -0.22 -0.98 3.49 4.20 -1.80 -3.29 115.11 116.51 1x4b h GLN 50 Ca 0.00 0.01 0.22 0.00 0.06 0.00 0.00 58.65 58.95 1x4b h GLN 50 Cb 0.68 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.42 1x4b h GLN 50 CO 0.00 -0.15 0.63 -1.49 -0.67 0.00 0.00 178.83 177.15 1x4b h TRP 51 N -0.94 0.75 -1.17 2.96 6.55 -1.83 -3.44 115.95 118.83 1x4b h TRP 51 Ca -0.02 0.02 0.34 0.00 0.95 0.00 0.00 58.89 60.18 1x4b h TRP 51 Cb 0.17 -0.22 -0.17 0.00 -0.86 0.00 0.00 29.16 28.08 1x4b h TRP 51 CO 0.01 0.14 0.93 0.20 -1.05 0.00 0.00 178.44 178.67 1x4b s GLY 52 N -3.83 -0.36 -0.29 1.49 0.00 -1.24 -4.39 107.32 98.70 1x4b s GLY 52 Ca -0.09 1.32 -0.22 0.00 0.00 0.00 0.00 44.72 45.73 1x4b s GLY 52 CO 0.79 0.37 0.71 0.54 0.00 0.00 0.00 173.10 175.51 1x4b s LYS 53 N -2.15 4.00 -0.69 2.90 1.02 -1.26 -3.54 119.74 120.01 1x4b s LYS 53 Ca 0.13 0.53 -0.27 0.00 0.02 0.00 0.00 55.97 56.38 1x4b s LYS 53 Cb 0.03 -3.70 0.01 0.00 -0.52 0.00 0.00 37.83 33.64 1x4b s LYS 53 CO -0.04 -0.58 1.55 -0.51 -0.92 0.00 0.00 175.35 174.85 1x4b s LEU 54 N 2.75 3.22 0.59 3.17 1.43 -1.26 -2.06 118.68 126.52 1x4b s LEU 54 Ca 0.29 -0.12 0.29 0.00 -1.03 0.00 0.00 54.13 53.56 1x4b s LEU 54 Cb -0.15 -2.55 1.27 0.00 0.03 0.00 0.00 46.19 44.80 1x4b s LEU 54 CO 0.11 -2.09 1.64 0.71 0.23 0.00 0.00 176.35 176.95 1x4b h THR 55 N 6.45 0.20 -2.04 5.49 1.35 0.16 -3.37 112.91 121.14 1x4b h THR 55 Ca -0.26 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.63 1x4b h THR 55 Cb 1.10 0.34 -0.21 0.00 -1.73 0.00 0.00 68.15 67.65 1x4b h THR 55 CO 1.25 0.00 -0.05 -0.62 -0.25 0.00 0.00 175.52 175.85 1x4b s ASP 56 N -4.44 -0.97 -0.15 5.36 -1.08 -1.16 -5.01 116.67 109.22 1x4b s ASP 56 Ca -0.04 1.49 -0.00 0.00 -0.52 0.00 0.00 52.55 53.49 1x4b s ASP 56 Cb 0.16 1.64 0.03 0.00 -1.46 0.00 0.00 42.92 43.29 1x4b s ASP 56 CO 0.54 -0.23 -0.08 0.00 0.52 0.00 0.00 175.17 175.92 1x4b s VAL 58 N 1.61 2.84 -0.14 0.00 1.01 -0.21 -4.88 120.40 120.64 1x4b s VAL 58 Ca 0.03 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1x4b s VAL 58 Cb -0.14 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.12 1x4b s VAL 58 CO -0.08 0.48 -0.15 0.54 0.00 0.00 0.00 175.10 175.88 1x4b s VAL 59 N -0.81 1.62 0.21 2.92 0.11 -1.26 0.09 120.40 123.28 1x4b s VAL 59 Ca 0.13 -0.68 -0.30 0.00 -2.93 0.00 0.00 61.98 58.20 1x4b s VAL 59 Cb -0.10 -1.50 -0.08 0.00 -1.53 0.00 0.00 36.38 33.16 1x4b s VAL 59 CO 0.03 0.47 1.14 -0.04 -3.33 0.00 0.00 175.10 173.37 1x4b s MET 60 N 1.28 4.56 -0.01 1.54 -1.94 -0.31 -4.92 119.30 119.49 1x4b s MET 60 Ca 0.01 1.81 0.02 0.00 -1.71 0.00 0.00 55.69 55.82 1x4b s MET 60 Cb -0.14 -3.24 -0.00 0.00 2.01 0.00 0.00 34.83 33.46 1x4b s MET 60 CO -0.08 0.03 -0.06 1.03 -0.01 0.00 0.00 175.02 175.93 1x4b s ARG 61 N -0.57 0.60 0.18 2.03 0.52 -1.26 0.19 118.95 120.63 1x4b s ARG 61 Ca 0.50 -0.22 -0.32 0.00 -0.52 0.00 0.00 55.73 55.17 1x4b s ARG 61 Cb -0.31 -0.58 -0.16 0.00 0.52 0.00 0.00 34.95 34.42 1x4b s ARG 61 CO 0.37 0.11 1.15 -3.47 0.02 0.00 0.00 175.30 173.48 1x4b n ASP 62 N 3.10 1.32 0.23 0.23 -0.08 0.31 -4.74 116.55 116.93 1x4b n ASP 62 Ca -0.15 1.14 0.12 0.00 -1.51 0.00 0.00 54.79 54.39 1x4b n ASP 62 Cb 0.56 -1.22 0.38 0.00 2.34 0.00 0.00 41.12 43.18 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 3.24 0.00 0.00 -0.67 0.13 -1.96 0.60 132.00 133.34 1x4b h PRO 63 Ca -0.43 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.26 1x4b h PRO 63 Cb 1.34 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.41 1x4b h PRO 63 CO 0.69 0.12 -2.47 0.00 -0.23 0.00 0.00 178.00 176.10 1x4b n ALA 64 N -2.14 1.22 -0.02 -0.56 0.00 -1.26 -4.48 120.51 113.26 1x4b n ALA 64 Ca 0.02 -1.07 -0.10 0.00 0.00 0.00 0.00 53.44 52.28 1x4b n ALA 64 Cb 0.46 0.05 0.04 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.79 0.71 -0.19 0.00 0.87 -1.95 -3.46 113.55 108.73 1x4b h SER 65 Ca -0.66 -0.37 -0.08 0.00 -1.23 0.00 0.00 61.79 59.45 1x4b h SER 65 Cb 1.66 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 63.39 1x4b h SER 65 CO -0.35 1.10 -0.07 1.17 -0.53 0.00 0.00 176.83 178.14 1x4b n LYS 66 N -3.98 -0.31 -4.51 2.24 0.00 0.21 -4.96 118.16 106.85 1x4b n LYS 66 Ca -0.03 0.61 -0.28 0.00 0.00 0.00 0.00 58.31 58.61 1x4b n LYS 66 Cb 0.59 -4.26 -0.13 0.00 0.00 0.00 0.00 35.03 31.23 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 -2.22 1.44 -0.02 1.64 0.52 -1.23 -4.79 118.95 114.29 1x4b s ARG 67 Ca 0.00 -1.23 -0.40 0.00 -0.52 0.00 0.00 55.73 53.58 1x4b s ARG 67 Cb 0.00 -1.80 -0.19 0.00 0.52 0.00 0.00 34.95 33.48 1x4b s ARG 67 CO 0.00 0.44 1.19 0.43 0.02 0.00 0.00 175.30 177.38 1x4b n SER 68 N 1.21 0.56 0.21 0.23 7.64 -1.23 0.12 113.62 122.35 1x4b n SER 68 Ca -0.18 1.15 0.06 0.00 1.01 0.00 0.00 58.87 60.91 1x4b n SER 68 Cb 0.53 -0.99 0.46 0.00 -1.01 0.00 0.00 64.21 63.20 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 3.64 0.00 0.00 1.43 3.08 0.17 -3.41 114.38 119.29 1x4b h ARG 69 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1x4b h ARG 69 Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.45 1x4b h ARG 69 CO 0.71 0.29 0.00 0.41 -1.07 0.00 0.00 179.97 180.31 1x4b n GLY 70 N -0.48 1.51 3.44 0.04 0.00 -1.26 -4.92 105.19 103.53 1x4b n GLY 70 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.71 -1.26 0.12 117.98 115.22 1x4b s PHE 71 Ca 0.00 0.64 0.00 0.00 -1.04 0.00 0.00 56.93 56.53 1x4b s PHE 71 Cb 0.00 0.41 0.00 0.00 -1.21 0.00 0.00 43.02 42.22 1x4b s PHE 71 CO 0.00 -0.68 0.00 0.41 -1.34 0.00 0.00 175.22 173.61 1x4b n GLY 72 N 0.39 2.91 3.21 1.99 0.00 -0.21 -1.17 105.19 112.31 1x4b n GLY 72 Ca -0.18 -0.88 -0.20 0.00 0.00 0.00 0.00 46.02 44.75 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 -4.36 1.42 -0.06 1.61 0.08 0.11 -0.48 117.98 116.31 1x4b s PHE 73 Ca 0.00 -0.44 -0.01 0.00 0.12 0.00 0.00 56.93 56.61 1x4b s PHE 73 Cb 0.00 -0.80 0.03 0.00 -0.57 0.00 0.00 43.02 41.68 1x4b s PHE 73 CO 0.00 0.11 -0.01 0.14 -0.10 0.00 0.00 175.22 175.36 1x4b s VAL 74 N -1.19 0.37 -0.44 -0.44 -7.23 -0.88 -1.04 120.40 109.54 1x4b s VAL 74 Ca 0.01 0.08 -0.06 0.00 -1.81 0.00 0.00 61.98 60.20 1x4b s VAL 74 Cb -0.10 -0.49 0.12 0.00 0.56 0.00 0.00 36.38 36.47 1x4b s VAL 74 CO 0.03 0.23 0.27 -0.89 -0.31 0.00 0.00 175.10 174.44 1x4b s THR 75 N 1.63 3.72 1.24 5.32 2.01 0.35 -1.34 115.64 128.56 1x4b s THR 75 Ca -0.00 -1.95 -0.18 0.00 0.31 0.00 0.00 61.69 59.87 1x4b s THR 75 Cb -0.13 -3.50 0.30 0.00 0.01 0.00 0.00 72.50 69.18 1x4b s THR 75 CO -0.04 -0.73 1.04 -0.36 -0.69 0.00 0.00 174.62 173.84 1x4b s PHE 76 N 1.22 0.56 -0.17 4.92 0.08 -1.14 0.17 117.98 123.63 1x4b s PHE 76 Ca 0.07 0.71 -0.22 0.00 0.12 0.00 0.00 56.93 57.61 1x4b s PHE 76 Cb -0.24 -3.19 -0.23 0.00 -0.57 0.00 0.00 43.02 38.79 1x4b s PHE 76 CO -0.03 -4.08 0.43 1.03 -0.10 0.00 0.00 175.22 172.48 1x4b h SER 77 N -2.75 0.08 -5.44 1.36 0.87 -1.77 -3.38 113.55 102.52 1x4b h SER 77 Ca -0.49 -0.72 -0.62 0.00 -1.23 0.00 0.00 61.79 58.73 1x4b h SER 77 Cb 1.32 -0.03 -0.09 0.00 -0.44 0.00 0.00 62.40 63.17 1x4b h SER 77 CO 0.39 1.39 -0.38 -0.24 -0.53 0.00 0.00 176.83 177.46 1x4b n SER 78 N -4.37 3.09 0.00 6.23 2.88 -1.26 -5.06 113.62 115.14 1x4b n SER 78 Ca -0.25 -3.07 -0.11 0.00 -1.33 0.00 0.00 58.87 54.12 1x4b n SER 78 Cb 0.67 0.16 -0.14 0.00 -0.75 0.00 0.00 64.21 64.16 1x4b n SER 78 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1x4b h MET 79 N 0.00 0.06 0.70 -1.46 4.05 -1.97 -3.32 114.93 112.99 1x4b h MET 79 Ca -0.39 -0.10 -0.03 0.00 -0.28 0.00 0.00 59.70 58.90 1x4b h MET 79 Cb 1.28 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.12 1x4b h MET 79 CO 0.63 0.72 -0.39 0.00 0.23 0.00 0.00 176.91 178.09 1x4b h ALA 80 N 0.83 -1.24 -0.48 0.39 0.00 -1.97 0.14 119.26 116.94 1x4b h ALA 80 Ca -0.26 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.48 1x4b h ALA 80 Cb 1.99 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 20.18 1x4b h ALA 80 CO 0.10 -1.18 -0.43 0.93 0.00 0.00 0.00 179.25 178.66 1x4b h GLU 81 N -1.01 -0.18 -0.99 0.00 3.07 -1.77 0.90 114.58 114.61 1x4b h GLU 81 Ca -0.10 0.01 0.24 0.00 -0.50 0.00 0.00 59.36 59.02 1x4b h GLU 81 Cb 0.79 0.04 -0.08 0.00 -0.84 0.00 0.00 28.75 28.67 1x4b h GLU 81 CO 0.12 -0.12 0.65 -0.24 -1.40 0.00 0.00 179.01 178.02 1x4b h VAL 82 N -0.19 0.59 -0.38 3.13 3.04 -1.64 1.16 116.25 121.96 1x4b h VAL 82 Ca 0.08 -0.13 -0.04 0.00 -1.01 0.00 0.00 66.70 65.60 1x4b h VAL 82 Cb 0.39 0.17 -0.02 0.00 -2.01 0.00 0.00 31.29 29.83 1x4b h VAL 82 CO -0.55 0.07 0.07 -0.78 -1.01 0.00 0.00 177.57 175.37 1x4b h ASP 83 N 0.38 0.52 -0.06 3.17 1.82 0.36 0.20 116.42 122.81 1x4b h ASP 83 Ca 0.54 -0.08 -0.19 0.00 -0.39 0.00 0.00 57.03 56.91 1x4b h ASP 83 Cb 1.40 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.27 1x4b h ASP 83 CO -0.22 0.54 -0.65 0.00 -1.61 0.00 0.00 179.24 177.30 1x4b h ALA 84 N 1.53 0.51 -0.21 -0.78 0.00 0.40 -2.60 119.26 118.12 1x4b h ALA 84 Ca 0.13 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 1x4b h ALA 84 Cb 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1x4b h ALA 84 CO 0.00 0.70 -0.31 0.00 0.00 0.00 0.00 179.25 179.64 1x4b h ALA 85 N 0.78 1.08 -0.28 0.00 0.00 -0.31 -2.36 119.26 118.17 1x4b h ALA 85 Ca -0.01 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1x4b h ALA 85 Cb 1.24 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1x4b h ALA 85 CO 0.13 0.57 -0.13 0.52 0.00 0.00 0.00 179.25 180.34 1x4b h MET 86 N 0.37 0.47 -1.77 0.00 2.07 -0.48 -3.02 114.93 112.56 1x4b h MET 86 Ca 0.05 -0.13 -0.64 0.00 -2.07 0.00 0.00 59.70 56.90 1x4b h MET 86 Cb 0.73 -0.05 -0.38 0.00 -1.87 0.00 0.00 31.60 30.03 1x4b h MET 86 CO 0.06 0.60 -0.24 0.00 1.07 0.00 0.00 176.91 178.39 1x4b n ALA 87 N -2.48 5.38 -2.69 6.32 0.00 -0.99 -4.69 120.51 121.36 1x4b n ALA 87 Ca 0.00 -4.36 -0.11 0.00 0.00 0.00 0.00 53.44 48.98 1x4b n ALA 87 Cb 0.32 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.44 3.43 -2.68 0.00 0.00 -0.92 -4.92 120.51 114.99 1x4b n ALA 88 Ca 0.41 -3.23 -0.23 0.00 0.00 0.00 0.00 53.44 50.40 1x4b n ALA 88 Cb 0.51 -0.91 -0.07 0.00 0.00 0.00 0.00 19.45 18.98 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 -3.10 2.42 0.00 0.00 0.52 -1.26 -4.46 118.95 113.06 1x4b s ARG 89 Ca 0.29 -1.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.16 1x4b s ARG 89 Cb 0.45 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 33.68 1x4b s ARG 89 CO 0.02 0.37 0.00 -0.35 0.02 0.00 0.00 175.30 175.36 1x4b n PRO 90 N -0.95 -0.33 -4.38 3.54 -0.04 -1.26 -5.17 135.00 126.40 1x4b n PRO 90 Ca -0.07 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.21 1x4b n PRO 90 Cb 0.59 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.90 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 -0.89 0.83 -0.22 0.54 3.76 -1.25 -5.07 115.29 112.99 1x4b s HIS 91 Ca 0.00 -0.16 0.01 0.00 -0.15 0.00 0.00 55.06 54.76 1x4b s HIS 91 Cb 0.00 -0.54 0.05 0.00 1.11 0.00 0.00 32.58 33.21 1x4b s HIS 91 CO 0.00 -0.02 -0.07 -1.54 -0.85 0.00 0.00 174.74 172.27 1x4b s SER 92 N -0.20 3.71 0.04 1.40 1.04 -1.26 -0.25 113.70 118.17 1x4b s SER 92 Ca 0.03 -1.09 0.02 0.00 0.48 0.00 0.00 55.95 55.39 1x4b s SER 92 Cb -0.04 -1.19 -0.02 0.00 0.10 0.00 0.00 66.02 64.87 1x4b s SER 92 CO -0.00 -0.21 -0.06 -0.63 0.98 0.00 0.00 173.24 173.31 1x4b s ILE 93 N 1.40 0.41 -1.67 -1.02 1.01 0.54 -4.78 121.20 117.09 1x4b s ILE 93 Ca -0.05 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.55 1x4b s ILE 93 Cb -0.18 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 41.75 1x4b s ILE 93 CO -0.07 -0.43 0.00 -0.67 0.00 0.00 0.00 174.94 173.77 1x4b n ASP 94 N 1.45 -5.38 -1.08 3.58 2.03 -1.26 0.13 116.55 116.02 1x4b n ASP 94 Ca -0.23 0.10 -0.14 0.00 0.52 0.00 0.00 54.79 55.04 1x4b n ASP 94 Cb 0.55 -4.54 -0.06 0.00 -0.72 0.00 0.00 41.12 36.35 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 -0.88 1.46 3.42 0.27 0.00 -1.26 -4.98 105.19 103.23 1x4b n GLY 95 Ca -0.22 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.19 1.57 -0.51 1.61 1.70 0.12 -5.11 118.95 115.14 1x4b s ARG 96 Ca 0.00 -1.84 -0.17 0.00 -0.47 0.00 0.00 55.73 53.24 1x4b s ARG 96 Cb 0.00 -0.86 0.08 0.00 -0.57 0.00 0.00 34.95 33.59 1x4b s ARG 96 CO 0.00 -0.13 0.54 0.08 -1.08 0.00 0.00 175.30 174.71 1x4b s VAL 97 N -3.27 5.04 0.35 4.99 1.01 -1.26 -0.34 120.40 126.92 1x4b s VAL 97 Ca 0.34 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 1x4b s VAL 97 Cb 0.07 -4.27 0.07 0.00 0.00 0.00 0.00 36.38 32.26 1x4b s VAL 97 CO 0.14 -0.78 0.48 1.33 0.00 0.00 0.00 175.10 176.27 1x4b n VAL 98 N 5.41 0.00 -3.18 2.92 0.24 0.65 -4.94 118.33 119.43 1x4b n VAL 98 Ca -0.10 -0.65 0.02 0.00 -2.04 0.00 0.00 64.34 61.57 1x4b n VAL 98 Cb 0.44 -1.29 -0.02 0.00 -1.47 0.00 0.00 33.84 31.50 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 -3.76 0.54 0.49 7.34 1.03 0.14 -3.90 118.70 120.59 1x4b s GLU 99 Ca 0.31 0.92 -0.20 0.00 0.03 0.00 0.00 54.97 56.02 1x4b s GLU 99 Cb -0.02 0.39 -0.08 0.00 -0.80 0.00 0.00 34.13 33.62 1x4b s GLU 99 CO 0.21 -0.64 1.04 -1.25 -1.33 0.00 0.00 175.26 173.28 1x4b s PRO 100 N 2.81 3.78 0.33 -4.83 0.04 -1.26 -1.04 135.00 134.82 1x4b s PRO 100 Ca 0.19 1.35 0.05 0.00 0.04 0.00 0.00 61.00 62.63 1x4b s PRO 100 Cb -0.15 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 1x4b s PRO 100 CO -0.21 -0.45 0.31 0.15 0.04 0.00 0.00 177.00 176.84 1x4b s LYS 101 N -3.29 1.75 0.21 4.56 1.02 0.17 -4.85 119.74 119.31 1x4b s LYS 101 Ca 0.67 -1.95 0.07 0.00 0.02 0.00 0.00 55.97 54.77 1x4b s LYS 101 Cb -0.16 0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 37.45 1x4b s LYS 101 CO 0.21 -0.66 0.13 0.50 -0.92 0.00 0.00 175.35 174.61 1x4b s ARG 102 N -3.41 2.79 -0.88 1.68 3.52 -1.26 0.31 118.95 121.69 1x4b s ARG 102 Ca 0.39 -1.02 -0.00 0.00 -0.13 0.00 0.00 55.73 54.96 1x4b s ARG 102 Cb 0.02 -2.53 0.34 0.00 -1.56 0.00 0.00 34.95 31.22 1x4b s ARG 102 CO 0.26 0.44 1.72 0.00 -0.81 0.00 0.00 175.30 176.90 1x4b n ALA 103 N -0.70 5.95 -2.76 6.12 0.00 -1.11 -4.12 120.51 123.90 1x4b n ALA 103 Ca -0.08 -4.47 -0.09 0.00 0.00 0.00 0.00 53.44 48.79 1x4b n ALA 103 Cb 0.56 -1.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.11 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 -4.63 0.09 0.00 0.00 1.01 -1.26 -4.73 120.40 110.87 1x4b s VAL 104 Ca 0.44 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1x4b s VAL 104 Cb 0.28 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 35.09 1x4b s VAL 104 CO -0.21 -0.39 0.00 0.00 0.00 0.00 0.00 175.10 174.49 1x4b n ALA 105 N -0.18 0.00 0.17 5.51 0.00 -1.26 -4.26 120.51 120.49 1x4b n ALA 105 Ca -0.11 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.19 1x4b n ALA 105 Cb 0.63 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.01 1x4b n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x4b h ARG 106 N 0.00 -0.42 -7.04 0.00 2.47 -1.92 -3.45 114.38 104.02 1x4b h ARG 106 Ca 0.00 0.03 -0.37 0.00 -1.26 0.00 0.00 59.98 58.38 1x4b h ARG 106 Cb 0.00 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.39 1x4b h ARG 106 CO 0.00 -0.28 -0.61 -0.85 0.56 0.00 0.00 179.97 178.79 1x4b n GLU 107 N -5.31 -0.60 -3.13 0.04 0.28 -1.26 -4.90 120.64 105.77 1x4b n GLU 107 Ca -0.09 -0.15 -0.18 0.00 -0.16 0.00 0.00 57.16 56.58 1x4b n GLU 107 Cb 0.22 -1.24 0.00 0.00 1.43 0.00 0.00 31.44 31.86 1x4b n GLU 107 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1x4b n GLU 108 N -3.41 0.91 -2.85 3.44 1.02 -1.26 -4.92 120.64 113.56 1x4b n GLU 108 Ca -0.09 -2.43 -0.01 0.00 -0.02 0.00 0.00 57.16 54.61 1x4b n GLU 108 Cb 0.35 0.25 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 1x4b n GLU 108 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1x4b n SER 109 N -1.90 -7.65 -2.74 1.62 2.88 -1.26 -5.02 113.62 99.55 1x4b n SER 109 Ca -0.01 1.14 -0.05 0.00 -1.33 0.00 0.00 58.87 58.61 1x4b n SER 109 Cb 0.44 -4.34 0.04 0.00 -0.75 0.00 0.00 64.21 59.60 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 0.83 -0.62 2.94 0.46 0.00 -1.26 -5.10 105.19 102.44 1x4b n GLY 110 Ca 0.00 0.51 -0.30 0.00 0.00 0.00 0.00 46.02 46.23 1x4b n GLY 110 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4b s SER 111 N -0.20 3.30 0.21 1.61 1.04 -1.26 -4.68 113.70 113.72 1x4b s SER 111 Ca 0.30 -0.88 0.05 0.00 0.48 0.00 0.00 55.95 55.90 1x4b s SER 111 Cb 0.12 -1.10 -0.03 0.00 0.10 0.00 0.00 66.02 65.11 1x4b s SER 111 CO -0.14 -0.18 0.26 -0.83 0.98 0.00 0.00 173.24 173.33 1x4b s GLY 112 N 1.48 1.45 0.15 7.32 0.00 -1.26 -5.08 107.32 111.38 1x4b s GLY 112 Ca -0.02 -1.24 -0.30 0.00 0.00 0.00 0.00 44.72 43.16 1x4b s GLY 112 CO -0.08 -1.26 1.13 2.56 0.00 0.00 0.00 173.10 175.45 1x4b s PRO 113 N -3.64 4.55 0.16 2.90 0.04 -1.26 -4.95 135.00 132.79 1x4b s PRO 113 Ca 0.33 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 1x4b s PRO 113 Cb -0.09 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 1x4b s PRO 113 CO 0.27 -0.02 1.55 1.03 0.04 0.00 0.00 177.00 179.87 1x4b h SER 114 N 5.48 -1.86 -2.40 6.66 0.87 -2.07 -3.28 113.55 116.95 1x4b h SER 114 Ca -0.44 0.28 -0.53 0.00 -1.23 0.00 0.00 61.79 59.87 1x4b h SER 114 Cb 1.21 0.81 -0.06 0.00 -0.44 0.00 0.00 62.40 63.93 1x4b h SER 114 CO 0.74 -0.32 1.16 -0.44 -0.53 0.00 0.00 176.83 177.45 1x4b s SER 115 N -5.26 5.88 0.00 6.23 0.01 -1.26 -5.34 113.70 113.97 1x4b s SER 115 Ca -0.13 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.18 1x4b s SER 115 Cb 0.11 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1x4b s SER 115 CO 0.63 -1.96 0.00 0.61 0.41 0.00 0.00 173.24 172.94