#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iz4 s PHE 3 N 0.00 -0.15 -0.12 0.54 -0.12 -0.45 -1.28 117.98 116.40 1iz4 s PHE 3 Ca 0.00 -0.06 -0.04 0.00 -0.05 0.00 0.00 56.93 56.78 1iz4 s PHE 3 Cb 0.00 0.59 0.05 0.00 -0.63 0.00 0.00 43.02 43.03 1iz4 s PHE 3 CO 0.00 -0.62 0.11 -2.00 -0.05 0.00 0.00 175.22 172.66 1iz4 s GLU 4 N -3.01 0.03 -0.06 1.99 2.12 0.47 -1.24 118.70 118.99 1iz4 s GLU 4 Ca 0.11 0.19 0.04 0.00 0.36 0.00 0.00 54.97 55.67 1iz4 s GLU 4 Cb 0.00 -1.11 -0.00 0.00 0.26 0.00 0.00 34.13 33.28 1iz4 s GLU 4 CO -0.02 -0.51 -0.18 0.42 -0.54 0.00 0.00 175.26 174.43 1iz4 s ILE 5 N 2.19 1.55 -0.08 -3.70 1.01 0.57 -1.34 121.20 121.40 1iz4 s ILE 5 Ca 0.04 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.95 1iz4 s ILE 5 Cb -0.14 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 41.00 1iz4 s ILE 5 CO -0.07 0.44 -0.16 -0.69 0.00 0.00 0.00 174.94 174.47 1iz4 s VAL 6 N 0.16 1.45 -0.10 2.92 1.01 -0.12 0.50 120.40 126.22 1iz4 s VAL 6 Ca -0.08 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.29 1iz4 s VAL 6 Cb -0.13 -1.30 -0.00 0.00 0.00 0.00 0.00 36.38 34.94 1iz4 s VAL 6 CO 0.04 0.43 -0.24 0.12 0.00 0.00 0.00 175.10 175.45 1iz4 s PHE 7 N 0.67 2.51 -0.33 5.22 5.36 0.61 -1.78 117.98 130.24 1iz4 s PHE 7 Ca -0.14 -1.01 -0.21 0.00 -0.96 0.00 0.00 56.93 54.61 1iz4 s PHE 7 Cb -0.16 -1.68 -0.00 0.00 -0.34 0.00 0.00 43.02 40.84 1iz4 s PHE 7 CO 0.04 -0.40 0.68 -1.21 -1.46 0.00 0.00 175.22 172.87 1iz4 s GLU 8 N 0.31 3.83 0.00 10.12 2.02 -1.26 -0.36 118.70 133.36 1iz4 s GLU 8 Ca -0.18 0.29 0.00 0.00 0.02 0.00 0.00 54.97 55.10 1iz4 s GLU 8 Cb -0.18 -3.76 0.00 0.00 0.10 0.00 0.00 34.13 30.29 1iz4 s GLU 8 CO 0.08 -0.67 0.00 0.41 0.02 0.00 0.00 175.26 175.10 1iz4 n GLY 9 N 4.46 0.70 0.29 -1.39 0.00 -0.35 -4.99 105.19 103.90 1iz4 n GLY 9 Ca 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 46.02 45.34 1iz4 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iz4 h ALA 10 N 0.00 1.13 -0.82 4.61 0.00 -0.63 -2.53 119.26 121.02 1iz4 h ALA 10 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1iz4 h ALA 10 Cb 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1iz4 h ALA 10 CO 0.00 -0.02 0.54 -0.22 0.00 0.00 0.00 179.25 179.54 1iz4 h LYS 11 N 0.66 1.04 -0.74 0.00 3.64 -1.69 -0.69 116.57 118.79 1iz4 h LYS 11 Ca 0.40 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 1iz4 h LYS 11 Cb 0.46 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 1iz4 h LYS 11 CO -0.30 0.69 0.41 1.49 -2.27 0.00 0.00 179.45 179.47 1iz4 h GLU 12 N 1.07 1.03 -0.49 1.90 4.81 -1.76 -0.59 114.58 120.55 1iz4 h GLU 12 Ca 0.31 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.34 1iz4 h GLU 12 Cb -0.06 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.10 1iz4 h GLU 12 CO -0.09 0.76 -0.04 0.35 -0.73 0.00 0.00 179.01 179.26 1iz4 h PHE 13 N 1.02 0.92 -0.54 0.92 3.57 -1.32 -2.27 116.94 119.23 1iz4 h PHE 13 Ca 0.26 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1iz4 h PHE 13 Cb 0.03 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.50 1iz4 h PHE 13 CO -0.00 0.86 0.18 0.00 -2.23 0.00 0.00 178.31 177.12 1iz4 h ALA 14 N 1.17 1.31 -0.41 2.41 0.00 -0.49 -2.65 119.26 120.59 1iz4 h ALA 14 Ca 0.14 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1iz4 h ALA 14 Cb 0.53 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1iz4 h ALA 14 CO 0.03 0.50 -0.15 1.96 0.00 0.00 0.00 179.25 181.59 1iz4 h GLN 15 N 0.78 0.77 -0.44 0.00 4.20 -0.56 -0.24 115.11 119.62 1iz4 h GLN 15 Ca 0.18 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 1iz4 h GLN 15 Cb 0.21 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1iz4 h GLN 15 CO -0.01 0.88 0.06 -0.07 -0.67 0.00 0.00 178.83 179.01 1iz4 h LEU 16 N 0.69 0.70 -0.52 1.46 3.38 -1.13 -1.02 115.31 118.87 1iz4 h LEU 16 Ca 0.11 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 1iz4 h LEU 16 Cb 0.64 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1iz4 h LEU 16 CO 0.05 0.80 -0.24 0.40 0.09 0.00 0.00 178.44 179.53 1iz4 h ILE 17 N 0.59 1.27 -0.55 1.22 1.08 -1.36 -1.94 117.51 117.81 1iz4 h ILE 17 Ca 0.13 -1.40 0.02 0.00 -0.39 0.00 0.00 64.86 63.22 1iz4 h ILE 17 Cb 0.40 1.18 -0.03 0.00 -3.07 0.00 0.00 36.82 35.29 1iz4 h ILE 17 CO 0.01 0.48 0.35 -0.78 -0.69 0.00 0.00 178.15 177.52 1iz4 h ASP 18 N 0.81 0.58 0.04 1.72 3.58 -0.90 -0.53 116.42 121.73 1iz4 h ASP 18 Ca 0.10 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 1iz4 h ASP 18 Cb 0.81 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.73 1iz4 h ASP 18 CO 0.07 0.42 -0.02 0.74 -2.88 0.00 0.00 179.24 177.57 1iz4 h THR 19 N 0.70 0.97 -0.80 2.25 2.02 -0.98 -2.80 112.91 114.28 1iz4 h THR 19 Ca 0.21 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 1iz4 h THR 19 Cb -0.03 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 1iz4 h THR 19 CO -0.07 0.01 0.46 0.00 0.37 0.00 0.00 175.52 176.29 1iz4 h ALA 20 N 0.90 1.31 0.00 6.16 0.00 -1.10 -2.06 119.26 124.47 1iz4 h ALA 20 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1iz4 h ALA 20 Cb 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1iz4 h ALA 20 CO 0.01 0.58 0.00 -1.13 0.00 0.00 0.00 179.25 178.71 1iz4 n SER 21 N -4.36 0.62 0.15 0.00 3.41 -0.23 -1.23 113.62 111.98 1iz4 n SER 21 Ca 0.08 0.74 0.13 0.00 -0.26 0.00 0.00 58.87 59.56 1iz4 n SER 21 Cb 0.08 -0.84 0.31 0.00 -0.26 0.00 0.00 64.21 63.50 1iz4 n SER 21 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1iz4 h LYS 22 N 0.00 0.00 0.00 4.33 1.79 -1.23 -3.34 116.57 118.11 1iz4 h LYS 22 Ca 0.00 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.24 1iz4 h LYS 22 Cb 0.12 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.73 1iz4 h LYS 22 CO 0.00 0.00 -1.86 1.28 -1.08 0.00 0.00 179.45 177.79 1iz4 n LEU 23 N -2.60 1.79 -4.12 2.94 7.99 -0.37 -5.03 117.00 117.61 1iz4 n LEU 23 Ca 0.05 -0.05 -0.14 0.00 -0.01 0.00 0.00 56.01 55.86 1iz4 n LEU 23 Cb 0.47 -0.21 -0.11 0.00 -0.11 0.00 0.00 43.42 43.46 1iz4 n LEU 23 CO 0.32 0.58 -0.41 0.27 -1.51 0.00 0.00 177.39 176.63 1iz4 s ILE 24 N -2.30 0.72 -0.06 -0.08 -4.36 -0.51 -4.33 121.20 110.27 1iz4 s ILE 24 Ca -0.15 -1.35 0.14 0.00 -0.26 0.00 0.00 60.65 59.03 1iz4 s ILE 24 Cb 0.05 -0.98 -0.18 0.00 1.25 0.00 0.00 42.46 42.61 1iz4 s ILE 24 CO 0.41 -0.47 0.83 0.44 0.24 0.00 0.00 174.94 176.40 1iz4 h ASP 25 N 4.06 0.00 -5.01 4.36 3.45 -1.86 -3.35 116.42 118.06 1iz4 h ASP 25 Ca -0.37 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 56.95 1iz4 h ASP 25 Cb 1.19 0.00 -0.20 0.00 -0.56 0.00 0.00 39.33 39.76 1iz4 h ASP 25 CO 0.46 0.81 -0.54 -1.61 -1.57 0.00 0.00 179.24 176.80 1iz4 s GLU 26 N -2.75 0.48 0.06 3.56 2.02 -1.26 -0.98 118.70 119.84 1iz4 s GLU 26 Ca -0.03 -0.55 -0.10 0.00 0.02 0.00 0.00 54.97 54.31 1iz4 s GLU 26 Cb 0.08 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.51 1iz4 s GLU 26 CO 0.81 -0.11 0.21 0.00 0.02 0.00 0.00 175.26 176.19 1iz4 s ALA 27 N -1.77 -0.36 -0.22 5.21 0.00 -0.93 -4.93 121.76 118.77 1iz4 s ALA 27 Ca -0.12 -0.38 -0.06 0.00 0.00 0.00 0.00 51.96 51.40 1iz4 s ALA 27 Cb -0.06 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 1iz4 s ALA 27 CO -0.01 -0.43 0.02 0.00 0.00 0.00 0.00 175.76 175.34 1iz4 s ALA 28 N -3.12 3.06 -0.25 0.00 0.00 -1.26 -2.04 121.76 118.14 1iz4 s ALA 28 Ca -0.01 -1.04 -0.08 0.00 0.00 0.00 0.00 51.96 50.83 1iz4 s ALA 28 Cb 0.01 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 1iz4 s ALA 28 CO -0.07 -0.26 0.10 -0.06 0.00 0.00 0.00 175.76 175.47 1iz4 s PHE 29 N 1.20 3.12 -0.29 0.00 0.40 -0.08 -4.39 117.98 117.93 1iz4 s PHE 29 Ca 0.03 -0.27 -0.22 0.00 -0.60 0.00 0.00 56.93 55.88 1iz4 s PHE 29 Cb -0.14 -2.26 -0.01 0.00 0.51 0.00 0.00 43.02 41.12 1iz4 s PHE 29 CO 0.02 -0.28 0.70 0.21 0.70 0.00 0.00 175.22 176.57 1iz4 s LYS 30 N 1.57 3.97 -0.36 0.44 2.20 0.58 -1.19 119.74 126.94 1iz4 s LYS 30 Ca 0.06 0.48 -0.07 0.00 -0.36 0.00 0.00 55.97 56.09 1iz4 s LYS 30 Cb -0.15 -3.71 0.05 0.00 -1.51 0.00 0.00 37.83 32.51 1iz4 s LYS 30 CO 0.05 -0.59 0.14 0.08 -0.36 0.00 0.00 175.35 174.68 1iz4 s VAL 31 N 2.74 3.88 0.50 4.02 1.01 0.18 -1.55 120.40 131.18 1iz4 s VAL 31 Ca 0.29 -1.21 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1iz4 s VAL 31 Cb -0.15 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 1iz4 s VAL 31 CO 0.11 -0.27 0.01 0.42 0.00 0.00 0.00 175.10 175.38 1iz4 s THR 32 N 1.40 1.29 0.41 3.92 -4.23 -0.71 -0.94 115.64 116.78 1iz4 s THR 32 Ca -0.00 -1.99 0.32 0.00 -1.18 0.00 0.00 61.69 58.84 1iz4 s THR 32 Cb -0.20 -2.28 0.34 0.00 1.34 0.00 0.00 72.50 71.70 1iz4 s THR 32 CO 0.03 0.00 2.12 -0.33 -0.54 0.00 0.00 174.62 175.89 1iz4 h GLU 33 N 1.39 0.00 0.00 3.99 3.07 -1.97 -2.46 114.58 118.61 1iz4 h GLU 33 Ca -0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 1iz4 h GLU 33 Cb 1.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 1iz4 h GLU 33 CO 0.75 0.07 -0.53 -0.44 -1.40 0.00 0.00 179.01 177.47 1iz4 h ASP 34 N 0.00 0.00 -2.21 1.42 3.32 -1.98 -3.45 116.42 113.52 1iz4 h ASP 34 Ca -0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1iz4 h ASP 34 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1iz4 h ASP 34 CO 0.01 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.18 1iz4 n GLY 35 N 1.23 -0.27 3.59 2.75 0.00 -0.93 -1.43 105.19 110.14 1iz4 n GLY 35 Ca 0.03 -1.62 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 1iz4 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iz4 s ILE 36 N -2.16 4.12 0.06 -0.61 1.01 -0.34 -1.74 121.20 121.55 1iz4 s ILE 36 Ca 0.00 -0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.39 1iz4 s ILE 36 Cb 0.00 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 1iz4 s ILE 36 CO 0.00 0.54 -0.10 -0.94 0.00 0.00 0.00 174.94 174.44 1iz4 s SER 37 N -0.24 1.22 -0.16 3.58 1.04 -0.60 0.09 113.70 118.63 1iz4 s SER 37 Ca 0.05 -0.61 -0.10 0.00 0.48 0.00 0.00 55.95 55.77 1iz4 s SER 37 Cb -0.13 0.00 0.05 0.00 0.10 0.00 0.00 66.02 66.05 1iz4 s SER 37 CO 0.02 -0.17 0.40 -0.32 0.98 0.00 0.00 173.24 174.15 1iz4 s MET 38 N -1.82 0.39 -0.01 4.02 0.00 0.02 -0.31 119.30 121.59 1iz4 s MET 38 Ca -0.05 0.74 0.02 0.00 0.00 0.00 0.00 55.69 56.40 1iz4 s MET 38 Cb -0.09 0.01 -0.00 0.00 0.00 0.00 0.00 34.83 34.75 1iz4 s MET 38 CO 0.01 -0.14 -0.07 0.50 0.00 0.00 0.00 175.02 175.31 1iz4 s ARG 39 N 1.20 0.66 0.08 4.11 3.52 -1.26 -0.17 118.95 127.10 1iz4 s ARG 39 Ca -0.08 -0.26 -0.26 0.00 -0.13 0.00 0.00 55.73 55.00 1iz4 s ARG 39 Cb -0.08 -0.64 0.08 0.00 -1.56 0.00 0.00 34.95 32.76 1iz4 s ARG 39 CO -0.10 0.14 0.72 0.00 -0.81 0.00 0.00 175.30 175.24 1iz4 s ALA 40 N -0.05 -1.70 0.01 6.12 0.00 -0.53 -4.81 121.76 120.81 1iz4 s ALA 40 Ca 0.01 0.74 0.08 0.00 0.00 0.00 0.00 51.96 52.79 1iz4 s ALA 40 Cb -0.04 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 1iz4 s ALA 40 CO -0.00 -0.71 -0.25 1.41 0.00 0.00 0.00 175.76 176.21 1iz4 s MET 41 N -3.35 2.01 0.90 0.00 1.75 -1.26 0.05 119.30 119.41 1iz4 s MET 41 Ca 0.02 -0.99 -0.12 0.00 -1.25 0.00 0.00 55.69 53.35 1iz4 s MET 41 Cb -0.01 -2.06 0.13 0.00 2.84 0.00 0.00 34.83 35.74 1iz4 s MET 41 CO -0.10 0.54 1.10 0.16 -0.65 0.00 0.00 175.02 176.07 1iz4 s ASP 42 N -0.95 3.50 0.39 1.11 -4.77 -0.45 -4.89 116.67 110.60 1iz4 s ASP 42 Ca 0.11 1.30 0.10 0.00 -3.30 0.00 0.00 52.55 50.77 1iz4 s ASP 42 Cb -0.10 -1.98 0.89 0.00 -1.09 0.00 0.00 42.92 40.64 1iz4 s ASP 42 CO 0.01 -2.60 1.93 -0.65 0.70 0.00 0.00 175.17 174.57 1iz4 h PRO 43 N -1.52 0.58 0.00 2.11 0.11 -1.93 -0.86 132.00 130.48 1iz4 h PRO 43 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1iz4 h PRO 43 Cb 1.30 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1iz4 h PRO 43 CO 0.57 0.38 0.00 0.45 -0.21 0.00 0.00 178.00 179.19 1iz4 n SER 44 N -4.50 0.00 -2.15 -2.05 2.88 -1.26 -4.90 113.62 101.64 1iz4 n SER 44 Ca 0.13 -0.26 -0.20 0.00 -1.33 0.00 0.00 58.87 57.20 1iz4 n SER 44 Cb 0.38 -0.23 -0.03 0.00 -0.75 0.00 0.00 64.21 63.58 1iz4 n SER 44 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1iz4 n ARG 45 N -1.23 -1.58 -0.09 -1.46 1.74 -0.33 -4.88 116.66 108.83 1iz4 n ARG 45 Ca 0.15 1.04 -0.11 0.00 -0.77 0.00 0.00 57.85 58.16 1iz4 n ARG 45 Cb 0.20 -5.61 -0.15 0.00 -1.02 0.00 0.00 32.46 25.88 1iz4 n ARG 45 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1iz4 n VAL 46 N -3.65 1.44 -4.84 1.55 0.31 -1.26 -4.97 118.33 106.91 1iz4 n VAL 46 Ca -0.23 -0.80 -0.25 0.00 -0.01 0.00 0.00 64.34 63.04 1iz4 n VAL 46 Cb 0.68 -0.71 -0.15 0.00 -0.91 0.00 0.00 33.84 32.75 1iz4 n VAL 46 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1iz4 s VAL 47 N -2.51 1.38 -0.10 2.52 1.01 -1.26 -1.72 120.40 119.73 1iz4 s VAL 47 Ca -0.13 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1iz4 s VAL 47 Cb 0.07 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 1iz4 s VAL 47 CO 0.79 0.39 -0.09 -0.22 0.00 0.00 0.00 175.10 175.97 1iz4 s LEU 48 N -0.40 2.98 -0.10 3.92 0.20 -0.40 -1.34 118.68 123.54 1iz4 s LEU 48 Ca 0.06 -0.16 0.02 0.00 0.69 0.00 0.00 54.13 54.74 1iz4 s LEU 48 Cb -0.07 -1.66 -0.01 0.00 -0.43 0.00 0.00 46.19 44.02 1iz4 s LEU 48 CO -0.01 0.27 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.52 1iz4 s ILE 49 N -0.24 2.77 -0.09 6.68 1.01 0.11 -1.72 121.20 129.72 1iz4 s ILE 49 Ca 0.02 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 1iz4 s ILE 49 Cb -0.13 -2.11 0.03 0.00 0.01 0.00 0.00 42.46 40.25 1iz4 s ILE 49 CO 0.03 0.55 -0.04 -0.62 0.00 0.00 0.00 174.94 174.86 1iz4 s ASP 50 N 0.02 1.92 -0.11 3.58 3.68 0.51 -1.45 116.67 124.82 1iz4 s ASP 50 Ca -0.06 -0.21 0.03 0.00 2.13 0.00 0.00 52.55 54.45 1iz4 s ASP 50 Cb -0.15 -0.67 0.00 0.00 -1.45 0.00 0.00 42.92 40.66 1iz4 s ASP 50 CO 0.05 -0.15 -0.22 -0.22 0.13 0.00 0.00 175.17 174.76 1iz4 s LEU 51 N 1.81 2.04 -0.11 -1.34 2.96 0.76 -0.04 118.68 124.76 1iz4 s LEU 51 Ca 0.05 -0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 1iz4 s LEU 51 Cb -0.12 -1.35 0.04 0.00 0.50 0.00 0.00 46.19 45.25 1iz4 s LEU 51 CO -0.07 0.13 0.01 0.21 -1.32 0.00 0.00 176.35 175.31 1iz4 s ASN 52 N 0.50 2.03 -0.47 3.68 3.84 -0.61 -0.80 114.94 123.12 1iz4 s ASN 52 Ca -0.16 -0.33 0.04 0.00 0.21 0.00 0.00 52.86 52.62 1iz4 s ASN 52 Cb -0.17 -0.50 0.12 0.00 -0.55 0.00 0.00 41.25 40.16 1iz4 s ASN 52 CO 0.06 -0.23 0.21 -0.76 -2.79 0.00 0.00 177.10 173.59 1iz4 s LEU 53 N 1.93 4.15 0.65 3.21 1.43 0.11 -1.33 118.68 128.84 1iz4 s LEU 53 Ca 0.03 -2.75 -0.17 0.00 -1.03 0.00 0.00 54.13 50.21 1iz4 s LEU 53 Cb -0.14 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 1iz4 s LEU 53 CO -0.06 -0.27 1.07 -2.65 0.23 0.00 0.00 176.35 174.67 1iz4 n PRO 54 N 3.45 0.85 0.12 1.29 -0.02 -1.26 -1.19 135.00 138.23 1iz4 n PRO 54 Ca 0.05 0.34 0.17 0.00 -2.02 0.00 0.00 63.50 62.04 1iz4 n PRO 54 Cb 0.35 -2.30 0.73 0.00 -0.02 0.00 0.00 33.50 32.25 1iz4 n PRO 54 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1iz4 h SER 55 N 0.28 0.00 -0.12 2.55 4.64 -1.55 -2.32 113.55 117.03 1iz4 h SER 55 Ca -0.49 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.87 1iz4 h SER 55 Cb 1.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1iz4 h SER 55 CO 0.50 0.00 0.15 0.77 -0.87 0.00 0.00 176.83 177.38 1iz4 h SER 56 N 0.00 0.00 0.50 4.97 4.64 -1.89 -1.58 113.55 120.18 1iz4 h SER 56 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1iz4 h SER 56 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1iz4 h SER 56 CO -0.00 0.00 -0.22 2.30 -0.87 0.00 0.00 176.83 178.04 1iz4 n ILE 57 N -3.77 0.00 -3.76 0.95 -5.35 -0.87 -4.84 119.36 101.72 1iz4 n ILE 57 Ca 0.00 -0.04 -0.34 0.00 -0.27 0.00 0.00 62.75 62.10 1iz4 n ILE 57 Cb 0.26 -0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.10 1iz4 n ILE 57 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1iz4 s PHE 58 N -2.72 3.56 -0.81 4.28 0.40 -0.60 -4.79 117.98 117.31 1iz4 s PHE 58 Ca 0.21 0.55 0.27 0.00 -0.60 0.00 0.00 56.93 57.35 1iz4 s PHE 58 Cb 0.19 -1.98 0.96 0.00 0.51 0.00 0.00 43.02 42.70 1iz4 s PHE 58 CO 0.55 0.59 1.81 -1.13 0.70 0.00 0.00 175.22 177.75 1iz4 n SER 59 N 0.97 0.51 -3.68 1.36 3.41 -0.73 -4.68 113.62 110.78 1iz4 n SER 59 Ca -0.10 0.55 -0.10 0.00 -0.26 0.00 0.00 58.87 58.97 1iz4 n SER 59 Cb 0.53 -0.69 -0.11 0.00 -0.26 0.00 0.00 64.21 63.68 1iz4 n SER 59 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1iz4 s LYS 60 N -3.08 0.34 -0.30 4.33 2.47 -1.20 -4.99 119.74 117.32 1iz4 s LYS 60 Ca 0.11 0.88 -0.02 0.00 -1.56 0.00 0.00 55.97 55.38 1iz4 s LYS 60 Cb 0.14 0.11 0.12 0.00 -1.46 0.00 0.00 37.83 36.75 1iz4 s LYS 60 CO 0.55 -0.20 0.22 -0.47 0.16 0.00 0.00 175.35 175.60 1iz4 s TYR 61 N 1.95 -0.04 -0.20 4.03 5.04 -1.26 -0.95 117.35 125.91 1iz4 s TYR 61 Ca -0.06 -0.59 0.01 0.00 -2.44 0.00 0.00 57.07 53.99 1iz4 s TYR 61 Cb -0.10 -0.68 0.04 0.00 0.35 0.00 0.00 41.96 41.57 1iz4 s TYR 61 CO -0.12 -0.88 -0.10 -1.21 -1.34 0.00 0.00 175.55 171.90 1iz4 s GLU 62 N 2.15 1.97 -0.24 4.97 2.02 -0.45 -5.03 118.70 124.10 1iz4 s GLU 62 Ca 0.10 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.23 1iz4 s GLU 62 Cb -0.15 -2.43 0.03 0.00 0.10 0.00 0.00 34.13 31.68 1iz4 s GLU 62 CO -0.32 -0.45 -0.10 0.08 0.02 0.00 0.00 175.26 174.48 1iz4 s VAL 63 N 1.40 2.50 -0.01 2.63 1.01 -1.26 -0.39 120.40 126.27 1iz4 s VAL 63 Ca -0.02 -1.19 -0.22 0.00 0.00 0.00 0.00 61.98 60.56 1iz4 s VAL 63 Cb -0.17 -2.28 -0.21 0.00 0.00 0.00 0.00 36.38 33.72 1iz4 s VAL 63 CO -0.08 0.20 1.12 0.58 0.00 0.00 0.00 175.10 176.93 1iz4 h VAL 64 N 6.28 1.46 -2.96 2.92 2.07 -1.58 -3.45 116.25 120.98 1iz4 h VAL 64 Ca -0.32 -1.86 -0.19 0.00 0.82 0.00 0.00 66.70 65.15 1iz4 h VAL 64 Cb 1.09 2.51 -0.30 0.00 -1.52 0.00 0.00 31.29 33.08 1iz4 h VAL 64 CO 0.56 0.53 -0.47 -0.70 0.02 0.00 0.00 177.57 177.50 1iz4 s GLU 65 N -3.40 0.22 0.64 1.57 2.12 -1.17 -4.95 118.70 113.72 1iz4 s GLU 65 Ca -0.14 0.59 -0.17 0.00 0.36 0.00 0.00 54.97 55.60 1iz4 s GLU 65 Cb 0.03 -0.10 -0.06 0.00 0.26 0.00 0.00 34.13 34.26 1iz4 s GLU 65 CO 0.77 -0.18 0.65 -2.30 -0.54 0.00 0.00 175.26 173.67 1iz4 n PRO 66 N 4.39 0.52 -3.56 4.30 -0.02 -1.26 -3.14 135.00 136.23 1iz4 n PRO 66 Ca -0.23 0.22 -0.13 0.00 -2.02 0.00 0.00 63.50 61.34 1iz4 n PRO 66 Cb 0.53 -1.88 -0.05 0.00 -0.02 0.00 0.00 33.50 32.07 1iz4 n PRO 66 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1iz4 s GLU 67 N -2.53 0.74 -0.27 -0.52 2.12 -0.12 -4.80 118.70 113.33 1iz4 s GLU 67 Ca 0.70 0.18 -0.03 0.00 0.36 0.00 0.00 54.97 56.18 1iz4 s GLU 67 Cb -0.40 0.35 0.03 0.00 0.26 0.00 0.00 34.13 34.37 1iz4 s GLU 67 CO 0.53 -0.23 -0.02 0.99 -0.54 0.00 0.00 175.26 175.99 1iz4 s THR 68 N -1.15 3.11 -0.11 -1.70 2.01 -1.26 0.51 115.64 117.05 1iz4 s THR 68 Ca -0.05 -1.07 -0.02 0.00 0.31 0.00 0.00 61.69 60.86 1iz4 s THR 68 Cb -0.00 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 1iz4 s THR 68 CO 0.04 0.09 -0.03 0.27 -0.69 0.00 0.00 174.62 174.30 1iz4 s ILE 69 N 1.34 4.03 -0.12 1.82 -4.36 -0.33 -4.90 121.20 118.68 1iz4 s ILE 69 Ca -0.01 -0.34 -0.06 0.00 -0.26 0.00 0.00 60.65 59.99 1iz4 s ILE 69 Cb -0.18 -2.71 -0.04 0.00 1.25 0.00 0.00 42.46 40.78 1iz4 s ILE 69 CO -0.02 0.56 0.10 -0.83 0.24 0.00 0.00 174.94 174.99 1iz4 s GLY 70 N -0.39 2.08 0.02 6.27 0.00 -1.21 -0.90 107.32 113.18 1iz4 s GLY 70 Ca 0.07 -0.68 -0.10 0.00 0.00 0.00 0.00 44.72 44.01 1iz4 s GLY 70 CO 0.02 -0.40 0.20 -1.34 0.00 0.00 0.00 173.10 171.58 1iz4 s VAL 71 N -0.91 0.09 -0.27 1.40 -7.23 -0.87 -0.06 120.40 112.55 1iz4 s VAL 71 Ca 0.14 -0.76 -0.27 0.00 -1.81 0.00 0.00 61.98 59.28 1iz4 s VAL 71 Cb -0.12 -0.71 0.01 0.00 0.56 0.00 0.00 36.38 36.12 1iz4 s VAL 71 CO 0.03 -0.42 0.97 0.21 -0.31 0.00 0.00 175.10 175.59 1iz4 s ASN 72 N -1.73 6.94 0.42 4.85 2.47 -1.26 -2.20 114.94 124.43 1iz4 s ASN 72 Ca -0.10 1.13 0.17 0.00 0.42 0.00 0.00 52.86 54.48 1iz4 s ASN 72 Cb -0.04 -2.50 0.93 0.00 -1.45 0.00 0.00 41.25 38.19 1iz4 s ASN 72 CO -0.01 -0.69 1.90 -0.07 -3.72 0.00 0.00 177.10 174.52 1iz4 h LEU 73 N 9.56 0.00 -0.34 3.21 3.38 -1.38 -2.17 115.31 127.57 1iz4 h LEU 73 Ca -0.21 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1iz4 h LEU 73 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1iz4 h LEU 73 CO 0.96 0.28 -0.11 0.44 0.09 0.00 0.00 178.44 180.10 1iz4 h ASP 74 N 0.00 0.69 -0.16 -0.43 3.32 -1.91 0.25 116.42 118.19 1iz4 h ASP 74 Ca -0.00 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 1iz4 h ASP 74 Cb 0.54 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1iz4 h ASP 74 CO 0.04 0.91 0.06 -0.74 -1.72 0.00 0.00 179.24 177.79 1iz4 h HIS 75 N 0.47 0.25 -0.36 4.55 2.76 -1.87 -1.86 115.15 119.09 1iz4 h HIS 75 Ca 0.08 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1iz4 h HIS 75 Cb 0.62 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.48 1iz4 h HIS 75 CO 0.05 0.33 0.18 1.25 -1.30 0.00 0.00 177.93 178.44 1iz4 h LEU 76 N 0.10 0.26 -0.94 0.26 5.85 -1.32 -2.51 115.31 117.01 1iz4 h LEU 76 Ca 0.05 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1iz4 h LEU 76 Cb 0.19 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 1iz4 h LEU 76 CO -0.00 0.20 0.61 0.50 -0.34 0.00 0.00 178.44 179.41 1iz4 h LYS 77 N 0.37 1.16 -0.73 1.25 3.64 -0.83 -0.76 116.57 120.68 1iz4 h LYS 77 Ca 0.15 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1iz4 h LYS 77 Cb 0.06 -0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 31.58 1iz4 h LYS 77 CO -0.10 0.77 0.48 -0.22 -2.27 0.00 0.00 179.45 178.11 1iz4 h LYS 78 N 1.20 0.92 0.02 1.90 1.63 -0.90 -0.73 116.57 120.61 1iz4 h LYS 78 Ca 0.37 -0.06 -0.11 0.00 -0.85 0.00 0.00 60.65 60.01 1iz4 h LYS 78 Cb -0.02 -0.21 0.01 0.00 -0.60 0.00 0.00 32.23 31.41 1iz4 h LYS 78 CO -0.11 0.61 -0.43 0.82 -3.45 0.00 0.00 179.45 176.88 1iz4 h ILE 79 N 0.95 1.52 0.00 2.00 2.04 -1.17 -3.33 117.51 119.52 1iz4 h ILE 79 Ca 0.28 -2.12 -0.03 0.00 1.00 0.00 0.00 64.86 63.99 1iz4 h ILE 79 Cb -0.05 2.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.87 1iz4 h ILE 79 CO -0.07 0.59 -0.13 -0.07 0.00 0.00 0.00 178.15 178.47 1iz4 h LEU 80 N -0.40 0.00 0.00 1.44 3.38 -0.87 -2.13 115.31 116.73 1iz4 h LEU 80 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1iz4 h LEU 80 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1iz4 h LEU 80 CO 0.08 0.13 0.00 0.29 0.09 0.00 0.00 178.44 179.03 1iz4 n LYS 81 N -3.96 0.41 0.05 1.13 4.76 -0.30 -1.03 118.16 119.22 1iz4 n LYS 81 Ca -0.02 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.54 1iz4 n LYS 81 Cb 0.22 -1.48 0.23 0.00 -1.84 0.00 0.00 35.03 32.16 1iz4 n LYS 81 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1iz4 n ARG 82 N -0.98 0.23 -2.86 1.97 3.00 -0.80 -4.89 116.66 112.33 1iz4 n ARG 82 Ca 0.09 0.08 -0.39 0.00 -0.00 0.00 0.00 57.85 57.64 1iz4 n ARG 82 Cb 0.04 -1.66 -0.06 0.00 0.00 0.00 0.00 32.46 30.78 1iz4 n ARG 82 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1iz4 s GLY 83 N -3.51 2.92 0.43 5.14 0.00 -0.20 -5.07 107.32 107.03 1iz4 s GLY 83 Ca 0.08 0.47 -0.00 0.00 0.00 0.00 0.00 44.72 45.27 1iz4 s GLY 83 CO 0.70 0.97 0.65 0.54 0.00 0.00 0.00 173.10 175.95 1iz4 s LYS 84 N -1.51 3.20 0.32 2.90 1.02 -1.26 -4.17 119.74 120.24 1iz4 s LYS 84 Ca 0.42 -0.40 0.10 0.00 0.02 0.00 0.00 55.97 56.11 1iz4 s LYS 84 Cb -0.22 -2.57 0.91 0.00 -0.52 0.00 0.00 37.83 35.43 1iz4 s LYS 84 CO 0.27 -0.17 1.69 0.00 -0.92 0.00 0.00 175.35 176.22 1iz4 h ALA 85 N 0.47 1.73 -0.16 5.17 0.00 -1.95 -0.72 119.26 123.80 1iz4 h ALA 85 Ca -0.47 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1iz4 h ALA 85 Cb 1.24 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1iz4 h ALA 85 CO 0.59 -0.42 0.00 1.63 0.00 0.00 0.00 179.25 181.05 1iz4 n LYS 86 N -5.01 2.14 -1.82 0.00 4.01 -1.26 -4.21 118.16 112.00 1iz4 n LYS 86 Ca 0.27 -1.94 -0.35 0.00 -0.51 0.00 0.00 58.31 55.78 1iz4 n LYS 86 Cb 0.81 -1.43 0.05 0.00 -0.51 0.00 0.00 35.03 33.95 1iz4 n LYS 86 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1iz4 s ASP 87 N -1.62 4.92 -0.11 4.39 -0.00 -0.29 -4.53 116.67 119.43 1iz4 s ASP 87 Ca 0.29 2.32 -0.08 0.00 -0.00 0.00 0.00 52.55 55.08 1iz4 s ASP 87 Cb 0.19 -2.59 -0.04 0.00 -0.00 0.00 0.00 42.92 40.48 1iz4 s ASP 87 CO 0.28 -1.77 0.17 -0.89 -0.00 0.00 0.00 175.17 172.95 1iz4 s THR 88 N -1.81 5.46 -0.17 -1.27 2.01 0.70 -0.15 115.64 120.39 1iz4 s THR 88 Ca 0.75 0.28 -0.01 0.00 0.31 0.00 0.00 61.69 63.01 1iz4 s THR 88 Cb -0.28 -3.43 -0.00 0.00 0.01 0.00 0.00 72.50 68.79 1iz4 s THR 88 CO 0.37 0.61 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.58 1iz4 s LEU 89 N -1.01 2.63 -0.15 4.42 2.96 0.51 -1.42 118.68 126.62 1iz4 s LEU 89 Ca 0.16 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1iz4 s LEU 89 Cb -0.12 -1.62 -0.00 0.00 0.50 0.00 0.00 46.19 44.94 1iz4 s LEU 89 CO 0.05 0.07 -0.16 -0.51 -1.32 0.00 0.00 176.35 174.48 1iz4 s ILE 90 N 0.94 2.65 -0.20 6.68 2.07 -0.38 -0.29 121.20 132.68 1iz4 s ILE 90 Ca -0.02 -0.78 -0.03 0.00 -1.41 0.00 0.00 60.65 58.41 1iz4 s ILE 90 Cb -0.15 -2.11 -0.01 0.00 0.13 0.00 0.00 42.46 40.32 1iz4 s ILE 90 CO -0.01 0.52 -0.07 -0.76 -1.91 0.00 0.00 174.94 172.71 1iz4 s LEU 91 N 0.74 2.83 -0.06 8.50 1.43 0.18 -1.48 118.68 130.82 1iz4 s LEU 91 Ca -0.07 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 1iz4 s LEU 91 Cb -0.16 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.37 1iz4 s LEU 91 CO 0.01 0.02 -0.13 -0.54 0.23 0.00 0.00 176.35 175.94 1iz4 s LYS 92 N 1.21 1.77 -0.12 1.70 1.02 -0.20 -0.32 119.74 124.81 1iz4 s LYS 92 Ca 0.02 -0.46 0.01 0.00 0.02 0.00 0.00 55.97 55.57 1iz4 s LYS 92 Cb -0.14 -1.46 0.02 0.00 -0.52 0.00 0.00 37.83 35.72 1iz4 s LYS 92 CO -0.02 0.06 -0.14 0.21 -0.92 0.00 0.00 175.35 174.54 1iz4 s LYS 93 N 0.56 2.09 0.00 1.68 2.47 -0.37 -0.27 119.74 125.90 1iz4 s LYS 93 Ca -0.13 -0.50 0.00 0.00 -1.56 0.00 0.00 55.97 53.77 1iz4 s LYS 93 Cb -0.15 -1.85 0.00 0.00 -1.46 0.00 0.00 37.83 34.36 1iz4 s LYS 93 CO 0.04 -0.13 0.00 0.41 0.16 0.00 0.00 175.35 175.83 1iz4 n GLY 94 N 4.42 2.53 0.18 5.54 0.00 -1.26 -1.34 105.19 115.26 1iz4 n GLY 94 Ca -0.18 -1.79 0.08 0.00 0.00 0.00 0.00 46.02 44.13 1iz4 n GLY 94 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1iz4 h GLU 95 N 0.00 0.00 -7.29 1.61 4.11 -2.00 -3.39 114.58 107.62 1iz4 h GLU 95 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.95 1iz4 h GLU 95 Cb 0.00 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.32 1iz4 h GLU 95 CO 0.00 0.20 0.27 -1.21 0.07 0.00 0.00 179.01 178.34 1iz4 s GLU 96 N -3.11 2.69 -1.05 1.06 2.02 -1.26 -4.97 118.70 114.08 1iz4 s GLU 96 Ca 0.05 0.09 -0.08 0.00 0.02 0.00 0.00 54.97 55.05 1iz4 s GLU 96 Cb 0.06 -2.16 -0.13 0.00 0.10 0.00 0.00 34.13 32.01 1iz4 s GLU 96 CO 0.71 -0.97 3.13 0.09 0.02 0.00 0.00 175.26 178.24 1iz4 n ASN 97 N -2.82 7.52 -3.48 -0.19 5.03 -1.26 -4.83 115.26 115.23 1iz4 n ASN 97 Ca 0.06 -2.61 -0.14 0.00 0.87 0.00 0.00 54.58 52.76 1iz4 n ASN 97 Cb 0.58 -1.49 -0.04 0.00 -1.02 0.00 0.00 39.78 37.82 1iz4 n ASN 97 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1iz4 s PHE 98 N 1.40 -0.56 -0.16 3.10 -0.12 -1.26 -1.42 117.98 118.96 1iz4 s PHE 98 Ca 0.67 0.66 -0.05 0.00 -0.05 0.00 0.00 56.93 58.17 1iz4 s PHE 98 Cb 0.23 0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 43.08 1iz4 s PHE 98 CO -0.05 -0.69 0.01 -1.17 -0.05 0.00 0.00 175.22 173.27 1iz4 s LEU 99 N -1.98 3.53 -0.26 -1.99 2.96 0.16 -4.49 118.68 116.61 1iz4 s LEU 99 Ca -0.04 -0.01 -0.17 0.00 -0.22 0.00 0.00 54.13 53.69 1iz4 s LEU 99 Cb -0.01 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 1iz4 s LEU 99 CO -0.02 0.19 0.46 -0.70 -1.32 0.00 0.00 176.35 174.96 1iz4 s GLU 100 N 0.26 4.07 -0.16 1.98 2.12 0.63 -1.34 118.70 126.25 1iz4 s GLU 100 Ca 0.00 0.23 -0.01 0.00 0.36 0.00 0.00 54.97 55.55 1iz4 s GLU 100 Cb -0.13 -3.64 -0.01 0.00 0.26 0.00 0.00 34.13 30.61 1iz4 s GLU 100 CO 0.02 -0.30 -0.11 0.42 -0.54 0.00 0.00 175.26 174.74 1iz4 s ILE 101 N 2.14 3.01 -0.06 -3.70 1.01 0.08 -1.04 121.20 122.65 1iz4 s ILE 101 Ca 0.19 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 60.25 1iz4 s ILE 101 Cb -0.16 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 1iz4 s ILE 101 CO 0.09 0.50 -0.24 -0.89 0.00 0.00 0.00 174.94 174.40 1iz4 s THR 102 N 0.82 1.94 -0.15 2.92 2.01 -0.55 0.18 115.64 122.81 1iz4 s THR 102 Ca -0.04 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 60.98 1iz4 s THR 102 Cb -0.15 -1.65 0.01 0.00 0.01 0.00 0.00 72.50 70.72 1iz4 s THR 102 CO 0.01 0.54 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.64 1iz4 s ILE 103 N -0.10 2.17 -0.04 1.82 1.01 0.20 -1.25 121.20 125.01 1iz4 s ILE 103 Ca -0.04 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.70 1iz4 s ILE 103 Cb -0.14 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.46 1iz4 s ILE 103 CO 0.04 0.54 -0.11 0.00 0.00 0.00 0.00 174.94 175.40 1iz4 s GLN 104 N 0.92 1.28 0.00 2.79 -2.07 -0.51 -1.50 119.66 120.57 1iz4 s GLN 104 Ca -0.04 -0.39 0.00 0.00 -1.82 0.00 0.00 55.36 53.11 1iz4 s GLN 104 Cb -0.15 -1.14 0.00 0.00 -1.09 0.00 0.00 33.01 30.63 1iz4 s GLN 104 CO -0.04 0.13 0.00 0.41 -1.32 0.00 0.00 175.29 174.47 1iz4 n GLY 105 N 3.37 1.20 0.04 2.60 0.00 -1.26 -0.22 105.19 110.91 1iz4 n GLY 105 Ca -0.19 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 45.81 1iz4 n GLY 105 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iz4 n THR 106 N 0.00 0.17 -4.26 2.61 -2.24 -1.26 -4.94 114.28 104.36 1iz4 n THR 106 Ca 0.00 -0.38 -0.16 0.00 -2.27 0.00 0.00 64.05 61.24 1iz4 n THR 106 Cb 0.00 0.10 -0.09 0.00 -2.10 0.00 0.00 70.33 68.24 1iz4 n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iz4 s ALA 107 N -3.34 1.59 0.09 6.98 0.00 -1.26 -5.18 121.76 120.65 1iz4 s ALA 107 Ca -0.01 -1.86 0.08 0.00 0.00 0.00 0.00 51.96 50.16 1iz4 s ALA 107 Cb 0.13 1.39 -0.03 0.00 0.00 0.00 0.00 23.12 24.61 1iz4 s ALA 107 CO 0.85 -0.61 -0.20 -0.08 0.00 0.00 0.00 175.76 175.73 1iz4 s THR 108 N -3.77 1.59 -0.01 0.00 -1.32 -1.26 -4.30 115.64 106.56 1iz4 s THR 108 Ca 0.39 -1.46 -0.02 0.00 -1.21 0.00 0.00 61.69 59.40 1iz4 s THR 108 Cb 0.05 -1.45 0.00 0.00 -1.51 0.00 0.00 72.50 69.59 1iz4 s THR 108 CO 0.19 -0.06 0.05 -0.13 -2.21 0.00 0.00 174.62 172.46 1iz4 s ARG 109 N -1.79 0.10 0.03 7.08 0.52 -0.56 -4.99 118.95 119.34 1iz4 s ARG 109 Ca 0.05 -0.01 0.08 0.00 -0.52 0.00 0.00 55.73 55.33 1iz4 s ARG 109 Cb -0.10 0.04 -0.03 0.00 0.52 0.00 0.00 34.95 35.39 1iz4 s ARG 109 CO 0.04 -0.01 -0.23 0.99 0.02 0.00 0.00 175.30 176.10 1iz4 s THR 110 N -0.16 1.85 0.15 0.02 2.01 -1.26 -0.62 115.64 117.63 1iz4 s THR 110 Ca -0.02 -1.22 -0.03 0.00 0.31 0.00 0.00 61.69 60.73 1iz4 s THR 110 Cb -0.01 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.88 1iz4 s THR 110 CO 0.00 0.31 0.13 -0.36 -0.69 0.00 0.00 174.62 174.01 1iz4 s PHE 111 N -0.75 0.81 0.02 4.92 0.40 0.13 -4.99 117.98 118.50 1iz4 s PHE 111 Ca 0.09 -1.15 0.08 0.00 -0.60 0.00 0.00 56.93 55.35 1iz4 s PHE 111 Cb -0.09 -0.39 -0.02 0.00 0.51 0.00 0.00 43.02 43.03 1iz4 s PHE 111 CO 0.01 -0.60 -0.24 1.03 0.70 0.00 0.00 175.22 176.12 1iz4 s ARG 112 N -4.05 1.80 -0.20 0.44 0.52 -1.26 -0.74 118.95 115.45 1iz4 s ARG 112 Ca 0.25 -0.96 -0.01 0.00 -0.52 0.00 0.00 55.73 54.49 1iz4 s ARG 112 Cb 0.06 -1.85 0.06 0.00 0.52 0.00 0.00 34.95 33.73 1iz4 s ARG 112 CO 0.04 0.49 -0.02 0.08 0.02 0.00 0.00 175.30 175.91 1iz4 s VAL 113 N -0.69 1.03 0.63 3.52 1.01 -0.45 -4.98 120.40 120.47 1iz4 s VAL 113 Ca 0.10 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 1iz4 s VAL 113 Cb -0.09 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1iz4 s VAL 113 CO 0.01 -0.08 1.16 -2.16 0.00 0.00 0.00 175.10 174.02 1iz4 s PRO 114 N 1.64 2.82 0.35 2.72 0.04 -1.26 -0.67 135.00 140.64 1iz4 s PRO 114 Ca -0.02 1.61 -0.06 0.00 0.04 0.00 0.00 61.00 62.57 1iz4 s PRO 114 Cb -0.17 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1iz4 s PRO 114 CO -0.07 -1.27 0.64 -0.51 0.04 0.00 0.00 177.00 175.83 1iz4 s LEU 115 N -4.52 3.93 0.05 -3.56 1.43 -0.50 -4.67 118.68 110.84 1iz4 s LEU 115 Ca 0.72 0.82 0.01 0.00 -1.03 0.00 0.00 54.13 54.65 1iz4 s LEU 115 Cb -0.25 -3.68 -0.03 0.00 0.03 0.00 0.00 46.19 42.26 1iz4 s LEU 115 CO 0.37 -0.31 -0.06 -0.51 0.23 0.00 0.00 176.35 176.07 1iz4 s ILE 116 N -2.28 0.42 -0.26 -0.59 2.07 0.91 -4.95 121.20 116.52 1iz4 s ILE 116 Ca 0.46 -1.38 -0.29 0.00 -1.41 0.00 0.00 60.65 58.02 1iz4 s ILE 116 Cb -0.10 -0.96 0.01 0.00 0.13 0.00 0.00 42.46 41.54 1iz4 s ILE 116 CO 0.33 -0.64 1.05 -0.62 -1.91 0.00 0.00 174.94 173.15 1iz4 s ASP 117 N -2.16 7.03 -0.18 4.50 2.15 -1.26 -3.31 116.67 123.45 1iz4 s ASP 117 Ca -0.03 1.25 0.01 0.00 0.43 0.00 0.00 52.55 54.21 1iz4 s ASP 117 Cb -0.03 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.07 1iz4 s ASP 117 CO -0.03 -0.74 -0.19 -0.69 -0.17 0.00 0.00 175.17 173.34 1iz4 s VAL 118 N 3.36 2.13 0.00 1.11 1.01 -1.26 -5.05 120.40 121.70 1iz4 s VAL 118 Ca 0.44 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1iz4 s VAL 118 Cb -0.14 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1iz4 s VAL 118 CO 0.09 0.54 0.00 -0.62 0.00 0.00 0.00 175.10 175.11 1iz4 n GLU 119 N 4.54 0.00 -3.03 2.72 -0.58 -1.26 -4.89 120.64 118.15 1iz4 n GLU 119 Ca -0.21 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.34 1iz4 n GLU 119 Cb 0.50 -0.40 0.01 0.00 -0.57 0.00 0.00 31.44 30.99 1iz4 n GLU 119 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1iz4 s GLU 120 N 0.00 2.86 0.00 3.49 2.56 -1.26 -5.05 118.70 121.30 1iz4 s GLU 120 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 54.97 53.98 1iz4 s GLU 120 Cb 0.00 -2.69 0.00 0.00 2.00 0.00 0.00 34.13 33.44 1iz4 s GLU 120 CO 0.00 -0.29 0.00 -0.35 -0.56 0.00 0.00 175.26 174.06 1iz4 n PRO 126 N -1.94 0.00 0.00 4.30 -0.04 -1.26 -4.87 135.00 131.19 1iz4 n PRO 126 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1iz4 n PRO 126 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 1iz4 n PRO 126 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1iz4 n GLU 127 N -0.15 0.00 -1.06 0.54 0.28 -1.26 -5.17 120.64 113.82 1iz4 n GLU 127 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.68 1iz4 n GLU 127 Cb 0.00 0.00 0.12 0.00 1.43 0.00 0.00 31.44 32.99 1iz4 n GLU 127 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1iz4 s LEU 128 N 0.00 3.02 -1.28 -1.84 2.01 -1.26 -4.94 118.68 114.39 1iz4 s LEU 128 Ca 0.00 2.09 -0.11 0.00 0.01 0.00 0.00 54.13 56.12 1iz4 s LEU 128 Cb 0.00 -4.55 0.15 0.00 0.01 0.00 0.00 46.19 41.80 1iz4 s LEU 128 CO 0.00 -2.53 1.81 -0.81 1.01 0.00 0.00 176.35 175.82 1iz4 n PRO 129 N -3.65 3.47 -1.89 1.29 -0.04 -1.26 -5.00 135.00 127.92 1iz4 n PRO 129 Ca 0.11 -3.50 -0.39 0.00 -0.04 0.00 0.00 63.50 59.68 1iz4 n PRO 129 Cb 0.52 -3.01 0.02 0.00 -0.04 0.00 0.00 33.50 30.99 1iz4 n PRO 129 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1iz4 s PHE 130 N 1.09 2.51 -0.70 0.54 0.40 -1.26 -4.87 117.98 115.68 1iz4 s PHE 130 Ca 0.42 1.36 0.06 0.00 -0.60 0.00 0.00 56.93 58.17 1iz4 s PHE 130 Cb 0.07 -3.77 0.06 0.00 0.51 0.00 0.00 43.02 39.89 1iz4 s PHE 130 CO -0.00 -2.60 0.74 0.25 0.70 0.00 0.00 175.22 174.30 1iz4 n THR 131 N -0.47 0.12 -3.84 0.64 -2.24 -0.65 -4.97 114.28 102.87 1iz4 n THR 131 Ca 0.07 -0.56 -0.12 0.00 -2.27 0.00 0.00 64.05 61.17 1iz4 n THR 131 Cb 0.44 1.05 -0.12 0.00 -2.10 0.00 0.00 70.33 69.59 1iz4 n THR 131 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iz4 s ALA 132 N -0.55 -0.30 -0.04 6.98 0.00 -0.86 -1.19 121.76 125.81 1iz4 s ALA 132 Ca 0.07 0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.27 1iz4 s ALA 132 Cb 0.05 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.04 1iz4 s ALA 132 CO 0.07 -0.08 0.09 0.21 0.00 0.00 0.00 175.76 176.05 1iz4 s LYS 133 N -0.17 0.05 0.03 0.00 2.20 0.29 -1.80 119.74 120.34 1iz4 s LYS 133 Ca -0.02 0.22 0.01 0.00 -0.36 0.00 0.00 55.97 55.81 1iz4 s LYS 133 Cb -0.02 -0.12 -0.02 0.00 -1.51 0.00 0.00 37.83 36.16 1iz4 s LYS 133 CO 0.00 -0.11 -0.05 0.54 -0.36 0.00 0.00 175.35 175.38 1iz4 s VAL 134 N 0.72 0.27 -0.13 4.02 0.11 0.39 -0.54 120.40 125.24 1iz4 s VAL 134 Ca -0.06 -1.11 -0.00 0.00 -2.93 0.00 0.00 61.98 57.88 1iz4 s VAL 134 Cb -0.08 -0.57 0.03 0.00 -1.53 0.00 0.00 36.38 34.23 1iz4 s VAL 134 CO -0.03 -0.54 -0.08 -0.69 -3.33 0.00 0.00 175.10 170.43 1iz4 s VAL 135 N -1.82 1.13 0.27 2.04 1.01 -0.33 0.26 120.40 122.96 1iz4 s VAL 135 Ca -0.10 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.49 1iz4 s VAL 135 Cb -0.07 -1.18 -0.06 0.00 0.00 0.00 0.00 36.38 35.07 1iz4 s VAL 135 CO -0.02 0.30 -0.02 0.68 0.00 0.00 0.00 175.10 176.04 1iz4 s VAL 136 N 1.65 1.40 0.38 2.92 -7.23 0.02 -0.91 120.40 118.63 1iz4 s VAL 136 Ca 0.04 -2.08 -0.22 0.00 -1.81 0.00 0.00 61.98 57.91 1iz4 s VAL 136 Cb -0.13 -2.47 -0.10 0.00 0.56 0.00 0.00 36.38 34.23 1iz4 s VAL 136 CO -0.08 -0.26 0.92 -0.76 -0.31 0.00 0.00 175.10 174.60 1iz4 s LEU 137 N -3.41 4.10 0.46 1.32 1.43 -0.73 0.15 118.68 122.01 1iz4 s LEU 137 Ca 0.30 1.70 0.18 0.00 -1.03 0.00 0.00 54.13 55.28 1iz4 s LEU 137 Cb 0.05 -4.28 1.16 0.00 0.03 0.00 0.00 46.19 43.14 1iz4 s LEU 137 CO 0.11 -0.23 1.97 1.23 0.23 0.00 0.00 176.35 179.66 1iz4 h GLY 138 N 2.43 0.43 0.53 -3.19 0.00 -0.02 -2.15 103.07 101.11 1iz4 h GLY 138 Ca -0.48 -0.12 0.14 0.00 0.00 0.00 0.00 47.33 46.87 1iz4 h GLY 138 CO 0.63 0.05 0.58 -2.09 0.00 0.00 0.00 176.54 175.71 1iz4 h GLU 139 N 0.28 0.73 -0.45 4.80 4.22 -1.31 -0.06 114.58 122.80 1iz4 h GLU 139 Ca 0.30 -0.04 -0.08 0.00 0.08 0.00 0.00 59.36 59.61 1iz4 h GLU 139 Cb 0.78 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1iz4 h GLU 139 CO -0.07 0.49 -0.04 0.28 -2.18 0.00 0.00 179.01 177.49 1iz4 h VAL 140 N 0.76 1.27 -0.14 0.32 2.07 -1.68 -0.77 116.25 118.07 1iz4 h VAL 140 Ca 0.45 -1.11 -0.22 0.00 0.82 0.00 0.00 66.70 66.65 1iz4 h VAL 140 Cb 0.66 1.09 0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1iz4 h VAL 140 CO -0.21 0.38 -0.77 -0.07 0.02 0.00 0.00 177.57 176.92 1iz4 h LEU 141 N 0.65 0.86 -0.73 2.57 3.38 -1.48 -1.01 115.31 119.54 1iz4 h LEU 141 Ca 0.12 -0.56 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 1iz4 h LEU 141 Cb 0.55 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1iz4 h LEU 141 CO 0.03 1.35 0.27 0.11 0.09 0.00 0.00 178.44 180.29 1iz4 h LYS 142 N 0.49 1.11 -0.31 1.13 1.57 -0.99 -1.91 116.57 117.67 1iz4 h LYS 142 Ca -0.05 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.47 1iz4 h LYS 142 Cb 1.39 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1iz4 h LYS 142 CO 0.15 0.93 0.01 0.00 -0.57 0.00 0.00 179.45 179.97 1iz4 h ALA 143 N 1.13 0.42 -0.21 3.86 0.00 -1.07 -2.05 119.26 121.34 1iz4 h ALA 143 Ca 0.24 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1iz4 h ALA 143 Cb 0.25 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1iz4 h ALA 143 CO -0.02 0.15 -0.08 0.00 0.00 0.00 0.00 179.25 179.31 1iz4 h ALA 144 N 0.85 0.11 -0.36 0.00 0.00 -0.91 0.91 119.26 119.85 1iz4 h ALA 144 Ca 0.09 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1iz4 h ALA 144 Cb 0.41 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1iz4 h ALA 144 CO 0.01 -0.50 -0.32 -0.39 0.00 0.00 0.00 179.25 178.05 1iz4 h VAL 145 N -0.04 1.28 -0.44 0.00 -1.51 -1.34 -1.61 116.25 112.59 1iz4 h VAL 145 Ca 0.11 -1.48 -0.07 0.00 -1.23 0.00 0.00 66.70 64.03 1iz4 h VAL 145 Cb 0.21 1.34 -0.02 0.00 -2.13 0.00 0.00 31.29 30.68 1iz4 h VAL 145 CO -0.24 0.49 -0.03 0.50 -1.23 0.00 0.00 177.57 177.06 1iz4 h LYS 146 N 0.68 0.73 0.00 5.19 3.64 -1.09 -0.62 116.57 125.09 1iz4 h LYS 146 Ca 0.07 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.14 1iz4 h LYS 146 Cb 0.87 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 1iz4 h LYS 146 CO 0.08 0.76 -0.55 -0.44 -2.27 0.00 0.00 179.45 177.03 1iz4 h ASP 147 N 0.68 0.00 0.41 4.20 3.45 -0.63 -3.33 116.42 121.20 1iz4 h ASP 147 Ca 0.13 0.00 -0.25 0.00 0.43 0.00 0.00 57.03 57.34 1iz4 h ASP 147 Cb 0.46 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 39.19 1iz4 h ASP 147 CO 0.02 0.55 -1.80 0.00 -1.57 0.00 0.00 179.24 176.45 1iz4 n ALA 148 N -2.34 1.71 -0.00 3.45 0.00 -0.62 -4.68 120.51 118.02 1iz4 n ALA 148 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.62 1iz4 n ALA 148 Cb 0.63 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.36 1iz4 n ALA 148 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1iz4 n SER 149 N -2.88 0.00 -1.06 0.00 7.64 -0.27 -0.53 113.62 116.52 1iz4 n SER 149 Ca -0.18 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.77 1iz4 n SER 149 Cb 0.98 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 64.41 1iz4 n SER 149 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1iz4 n LEU 150 N -0.45 3.07 -0.07 -3.43 7.99 -1.26 -4.11 117.00 118.74 1iz4 n LEU 150 Ca 0.00 -1.55 -0.14 0.00 -0.01 0.00 0.00 56.01 54.31 1iz4 n LEU 150 Cb 0.00 -0.43 -0.14 0.00 -0.11 0.00 0.00 43.42 42.74 1iz4 n LEU 150 CO 0.00 0.57 -1.02 1.33 -1.51 0.00 0.00 177.39 176.76 1iz4 n VAL 151 N 0.69 1.54 -4.02 4.08 0.24 0.31 -5.03 118.33 116.14 1iz4 n VAL 151 Ca 0.16 -0.72 -0.10 0.00 -2.04 0.00 0.00 64.34 61.65 1iz4 n VAL 151 Cb 0.57 -1.13 -0.07 0.00 -1.47 0.00 0.00 33.84 31.74 1iz4 n VAL 151 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1iz4 s SER 152 N -6.24 0.03 0.13 -1.34 1.04 -0.95 -4.82 113.70 101.54 1iz4 s SER 152 Ca -0.19 -0.99 0.01 0.00 0.48 0.00 0.00 55.95 55.26 1iz4 s SER 152 Cb 0.07 0.47 -0.13 0.00 0.10 0.00 0.00 66.02 66.53 1iz4 s SER 152 CO 0.75 -0.95 1.29 0.44 0.98 0.00 0.00 173.24 175.74 1iz4 h ASP 153 N 2.48 0.28 -5.57 7.02 3.45 -1.88 -3.45 116.42 118.75 1iz4 h ASP 153 Ca -0.31 -0.26 -0.24 0.00 0.43 0.00 0.00 57.03 56.65 1iz4 h ASP 153 Cb 1.24 -0.09 -0.13 0.00 -0.56 0.00 0.00 39.33 39.79 1iz4 h ASP 153 CO 0.45 1.13 -0.49 -0.94 -1.57 0.00 0.00 179.24 177.82 1iz4 s SER 154 N -6.97 0.38 -0.07 6.45 1.04 -1.26 -1.99 113.70 111.28 1iz4 s SER 154 Ca -0.03 -1.37 0.04 0.00 0.48 0.00 0.00 55.95 55.07 1iz4 s SER 154 Cb 0.09 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1iz4 s SER 154 CO 0.85 -0.95 -0.20 -0.51 0.98 0.00 0.00 173.24 173.40 1iz4 s ILE 155 N -3.96 1.71 -0.14 -1.02 2.07 -0.16 -4.75 121.20 114.96 1iz4 s ILE 155 Ca 0.36 -0.84 -0.19 0.00 -1.41 0.00 0.00 60.65 58.57 1iz4 s ILE 155 Cb 0.05 -1.48 -0.04 0.00 0.13 0.00 0.00 42.46 41.11 1iz4 s ILE 155 CO 0.14 0.48 0.53 -0.54 -1.91 0.00 0.00 174.94 173.64 1iz4 s LYS 156 N 0.28 4.31 -0.18 3.50 -0.14 0.88 -1.28 119.74 127.11 1iz4 s LYS 156 Ca -0.12 0.51 -0.08 0.00 -1.36 0.00 0.00 55.97 54.92 1iz4 s LYS 156 Cb -0.15 -3.48 -0.04 0.00 -1.68 0.00 0.00 37.83 32.48 1iz4 s LYS 156 CO 0.06 0.05 0.07 -0.06 -0.76 0.00 0.00 175.35 174.71 1iz4 s PHE 157 N 0.97 3.29 -0.04 3.18 0.40 0.14 0.40 117.98 126.31 1iz4 s PHE 157 Ca 0.27 0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.76 1iz4 s PHE 157 Cb -0.16 -2.08 0.01 0.00 0.51 0.00 0.00 43.02 41.30 1iz4 s PHE 157 CO 0.11 0.20 -0.09 0.42 0.70 0.00 0.00 175.22 176.56 1iz4 s ILE 158 N 0.30 0.86 -0.04 0.64 1.09 0.11 -2.03 121.20 122.14 1iz4 s ILE 158 Ca 0.04 -0.35 0.01 0.00 -1.10 0.00 0.00 60.65 59.25 1iz4 s ILE 158 Cb -0.12 -0.80 0.02 0.00 -1.06 0.00 0.00 42.46 40.50 1iz4 s ILE 158 CO -0.00 0.28 -0.05 0.00 -0.10 0.00 0.00 174.94 175.08 1iz4 s ALA 159 N 0.54 0.65 0.26 9.38 0.00 -0.18 -0.46 121.76 131.95 1iz4 s ALA 159 Ca -0.10 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.82 1iz4 s ALA 159 Cb -0.13 -0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 1iz4 s ALA 159 CO 0.02 0.01 0.09 1.03 0.00 0.00 0.00 175.76 176.91 1iz4 s ARG 160 N 0.81 1.41 0.07 0.00 0.52 -0.11 -1.46 118.95 120.18 1iz4 s ARG 160 Ca -0.11 -1.76 -0.07 0.00 -0.52 0.00 0.00 55.73 53.27 1iz4 s ARG 160 Cb -0.14 -0.29 0.05 0.00 0.52 0.00 0.00 34.95 35.09 1iz4 s ARG 160 CO 0.00 -0.28 0.50 -0.85 0.02 0.00 0.00 175.30 174.69 1iz4 n GLU 161 N -0.47 -0.09 -2.57 3.54 0.00 -1.26 -1.49 120.64 118.30 1iz4 n GLU 161 Ca -0.00 0.50 -0.12 0.00 0.00 0.00 0.00 57.16 57.54 1iz4 n GLU 161 Cb 0.66 -0.74 0.03 0.00 0.00 0.00 0.00 31.44 31.40 1iz4 n GLU 161 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1iz4 n ASN 162 N -4.46 2.71 -3.64 -1.84 2.85 -1.26 -4.82 115.26 104.81 1iz4 n ASN 162 Ca 0.03 -2.83 -0.10 0.00 -0.11 0.00 0.00 54.58 51.57 1iz4 n ASN 162 Cb 0.12 -0.46 -0.07 0.00 1.24 0.00 0.00 39.78 40.61 1iz4 n ASN 162 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1iz4 s GLU 163 N -3.54 0.76 -0.11 1.20 2.12 -0.56 -4.47 118.70 114.11 1iz4 s GLU 163 Ca 0.35 1.11 0.02 0.00 0.36 0.00 0.00 54.97 56.81 1iz4 s GLU 163 Cb 0.39 0.26 0.01 0.00 0.26 0.00 0.00 34.13 35.05 1iz4 s GLU 163 CO -0.02 -0.13 -0.15 0.12 -0.54 0.00 0.00 175.26 174.54 1iz4 s PHE 164 N 1.06 1.96 -0.00 5.30 5.36 -0.21 -0.94 117.98 130.51 1iz4 s PHE 164 Ca -0.05 -0.92 0.03 0.00 -0.96 0.00 0.00 56.93 55.03 1iz4 s PHE 164 Cb -0.05 -1.41 -0.01 0.00 -0.34 0.00 0.00 43.02 41.21 1iz4 s PHE 164 CO -0.10 -0.47 -0.11 0.42 -1.46 0.00 0.00 175.22 173.49 1iz4 s ILE 165 N 0.99 0.86 -0.20 3.12 1.01 0.40 -0.71 121.20 126.67 1iz4 s ILE 165 Ca -0.07 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.08 1iz4 s ILE 165 Cb -0.15 -0.73 0.04 0.00 0.01 0.00 0.00 42.46 41.63 1iz4 s ILE 165 CO -0.02 0.21 -0.14 -0.04 0.00 0.00 0.00 174.94 174.96 1iz4 s MET 166 N -0.35 2.38 0.00 2.79 -1.94 -0.64 0.09 119.30 121.63 1iz4 s MET 166 Ca 0.04 -0.92 0.00 0.00 -1.71 0.00 0.00 55.69 53.09 1iz4 s MET 166 Cb -0.05 -2.53 0.00 0.00 2.01 0.00 0.00 34.83 34.26 1iz4 s MET 166 CO -0.00 -0.38 0.00 1.17 -0.01 0.00 0.00 175.02 175.80 1iz4 n LYS 167 N 4.62 0.00 0.00 2.03 4.81 0.16 -1.68 118.16 128.10 1iz4 n LYS 167 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1iz4 n LYS 167 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 1iz4 n LYS 167 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1iz4 n ALA 168 N -3.00 0.00 -1.33 3.14 0.00 -1.26 -0.08 120.51 117.98 1iz4 n ALA 168 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 53.44 52.86 1iz4 n ALA 168 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1iz4 n ALA 168 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1iz4 n GLU 169 N 0.00 0.29 0.00 0.00 1.02 -1.26 -4.75 120.64 115.94 1iz4 n GLU 169 Ca 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1iz4 n GLU 169 Cb 0.00 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 1iz4 n GLU 169 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iz4 n GLY 170 N 7.04 3.34 0.00 0.62 0.00 -1.26 -5.07 105.19 109.85 1iz4 n GLY 170 Ca 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1iz4 n GLY 170 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1iz4 n GLU 171 N 0.00 0.21 -2.92 1.61 1.02 -1.26 -5.10 120.64 114.20 1iz4 n GLU 171 Ca 0.00 -0.46 -0.20 0.00 -0.02 0.00 0.00 57.16 56.47 1iz4 n GLU 171 Cb 0.00 -0.55 0.06 0.00 -0.02 0.00 0.00 31.44 30.93 1iz4 n GLU 171 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1iz4 s THR 172 N -0.08 2.27 0.20 2.62 -4.23 -1.26 -5.01 115.64 110.15 1iz4 s THR 172 Ca 0.00 -0.90 -0.33 0.00 -1.18 0.00 0.00 61.69 59.28 1iz4 s THR 172 Cb 0.00 -2.37 -0.14 0.00 1.34 0.00 0.00 72.50 71.33 1iz4 s THR 172 CO 0.00 0.00 1.39 0.00 -0.54 0.00 0.00 174.62 175.47 1iz4 n GLN 173 N -2.33 1.80 -4.35 3.99 1.13 -1.26 -4.90 117.38 111.46 1iz4 n GLN 173 Ca 0.14 0.64 -0.34 0.00 -1.94 0.00 0.00 57.00 55.50 1iz4 n GLN 173 Cb 0.61 -2.29 -0.11 0.00 0.11 0.00 0.00 30.24 28.56 1iz4 n GLN 173 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1iz4 s GLU 174 N -0.07 3.38 -0.07 -1.09 2.12 -1.26 -4.94 118.70 116.77 1iz4 s GLU 174 Ca 0.73 -0.45 0.03 0.00 0.36 0.00 0.00 54.97 55.63 1iz4 s GLU 174 Cb -0.72 -2.89 0.01 0.00 0.26 0.00 0.00 34.13 30.79 1iz4 s GLU 174 CO 0.48 0.46 -0.16 0.08 -0.54 0.00 0.00 175.26 175.57 1iz4 s VAL 175 N -0.21 1.45 -0.00 3.70 1.01 -1.26 -5.14 120.40 119.95 1iz4 s VAL 175 Ca 0.05 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1iz4 s VAL 175 Cb -0.13 -1.28 -0.00 0.00 0.00 0.00 0.00 36.38 34.97 1iz4 s VAL 175 CO 0.02 0.42 -0.01 -1.83 0.00 0.00 0.00 175.10 173.70 1iz4 s GLU 176 N 0.50 0.10 -0.20 2.72 -1.05 -1.26 -4.54 118.70 114.96 1iz4 s GLU 176 Ca -0.15 -0.04 -0.04 0.00 -0.15 0.00 0.00 54.97 54.59 1iz4 s GLU 176 Cb -0.16 -0.10 -0.02 0.00 -0.44 0.00 0.00 34.13 33.42 1iz4 s GLU 176 CO 0.05 0.02 -0.04 0.42 0.95 0.00 0.00 175.26 176.67 1iz4 s ILE 177 N -0.02 3.58 -0.05 1.83 1.01 -0.68 -4.99 121.20 121.88 1iz4 s ILE 177 Ca 0.00 -0.44 0.06 0.00 0.00 0.00 0.00 60.65 60.28 1iz4 s ILE 177 Cb -0.01 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 1iz4 s ILE 177 CO -0.00 0.44 -0.23 -0.75 0.00 0.00 0.00 174.94 174.39 1iz4 s LYS 178 N 1.13 2.41 -0.01 2.79 2.20 -1.26 -1.63 119.74 125.37 1iz4 s LYS 178 Ca 0.02 -0.88 0.03 0.00 -0.36 0.00 0.00 55.97 54.78 1iz4 s LYS 178 Cb -0.15 -2.16 -0.01 0.00 -1.51 0.00 0.00 37.83 34.00 1iz4 s LYS 178 CO 0.00 0.47 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.86 1iz4 s LEU 179 N -0.39 2.02 0.22 5.43 1.43 0.11 -5.01 118.68 122.49 1iz4 s LEU 179 Ca 0.03 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 1iz4 s LEU 179 Cb -0.12 -0.48 -0.05 0.00 0.03 0.00 0.00 46.19 45.57 1iz4 s LEU 179 CO 0.02 0.11 -0.06 -0.89 0.23 0.00 0.00 176.35 175.76 1iz4 s THR 180 N -0.21 1.35 0.30 5.49 2.01 -1.26 -1.04 115.64 122.27 1iz4 s THR 180 Ca 0.04 -2.09 0.35 0.00 0.31 0.00 0.00 61.69 60.29 1iz4 s THR 180 Cb -0.04 -2.23 0.36 0.00 0.01 0.00 0.00 72.50 70.60 1iz4 s THR 180 CO -0.00 -0.44 2.08 -0.07 -0.69 0.00 0.00 174.62 175.50 1iz4 h LEU 181 N 2.49 0.00 -0.79 4.42 3.38 -1.84 0.13 115.31 123.10 1iz4 h LEU 181 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1iz4 h LEU 181 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1iz4 h LEU 181 CO 0.65 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.85 1iz4 h GLU 182 N 0.00 0.00 -6.40 1.13 5.08 -1.95 -3.43 114.58 109.00 1iz4 h GLU 182 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1iz4 h GLU 182 Cb 0.02 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1iz4 h GLU 182 CO 0.00 0.00 0.10 -0.51 -1.00 0.00 0.00 179.01 177.60 1iz4 s ASP 183 N -5.54 7.26 0.59 1.42 1.01 0.45 -4.96 116.67 116.90 1iz4 s ASP 183 Ca 0.04 1.50 0.35 0.00 0.71 0.00 0.00 52.55 55.15 1iz4 s ASP 183 Cb 0.08 -2.45 1.82 0.00 1.01 0.00 0.00 42.92 43.39 1iz4 s ASP 183 CO 0.57 0.22 2.18 -0.33 0.21 0.00 0.00 175.17 178.01 1iz4 h GLU 184 N 4.51 0.00 0.00 8.23 5.08 -1.85 -2.72 114.58 127.83 1iz4 h GLU 184 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1iz4 h GLU 184 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1iz4 h GLU 184 CO 0.66 0.04 0.00 0.41 -1.00 0.00 0.00 179.01 179.12 1iz4 n GLY 185 N -0.73 -1.37 3.19 -3.84 0.00 -1.26 -4.54 105.19 96.65 1iz4 n GLY 185 Ca -0.02 0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1iz4 n GLY 185 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iz4 s LEU 186 N -4.34 3.77 -0.10 0.99 2.96 -1.03 -1.77 118.68 119.16 1iz4 s LEU 186 Ca 0.06 -1.14 0.15 0.00 -0.22 0.00 0.00 54.13 52.98 1iz4 s LEU 186 Cb 0.10 -1.72 -0.23 0.00 0.50 0.00 0.00 46.19 44.84 1iz4 s LEU 186 CO 0.44 -0.23 0.44 0.18 -1.32 0.00 0.00 176.35 175.85 1iz4 n LEU 187 N 4.66 0.51 -3.64 -0.68 4.77 -0.09 -4.69 117.00 117.84 1iz4 n LEU 187 Ca -0.14 0.24 -0.15 0.00 -0.03 0.00 0.00 56.01 55.93 1iz4 n LEU 187 Cb 0.44 0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.75 1iz4 n LEU 187 CO 0.27 0.41 0.28 -0.62 -1.33 0.00 0.00 177.39 176.40 1iz4 s ASP 188 N -5.80 -0.55 -0.16 -1.43 -1.08 -1.13 -4.97 116.67 101.55 1iz4 s ASP 188 Ca -0.07 0.84 -0.06 0.00 -0.52 0.00 0.00 52.55 52.74 1iz4 s ASP 188 Cb 0.07 0.83 0.07 0.00 -1.46 0.00 0.00 42.92 42.44 1iz4 s ASP 188 CO 0.83 -0.37 0.34 0.27 0.52 0.00 0.00 175.17 176.76 1iz4 s ILE 189 N -0.44 -0.35 -0.10 4.11 -4.36 -1.26 -1.19 121.20 117.60 1iz4 s ILE 189 Ca -0.06 0.19 -0.01 0.00 -0.26 0.00 0.00 60.65 60.51 1iz4 s ILE 189 Cb -0.03 -0.54 0.03 0.00 1.25 0.00 0.00 42.46 43.17 1iz4 s ILE 189 CO 0.04 0.08 -0.05 -1.61 0.24 0.00 0.00 174.94 173.64 1iz4 s GLU 190 N 2.09 1.23 -0.03 0.37 2.02 0.29 -5.01 118.70 119.67 1iz4 s GLU 190 Ca -0.04 -0.15 0.02 0.00 0.02 0.00 0.00 54.97 54.83 1iz4 s GLU 190 Cb -0.11 -1.42 0.00 0.00 0.10 0.00 0.00 34.13 32.71 1iz4 s GLU 190 CO -0.11 -0.29 -0.09 0.54 0.02 0.00 0.00 175.26 175.33 1iz4 s VAL 191 N 1.79 0.79 -0.07 2.63 0.11 -1.26 -0.54 120.40 123.84 1iz4 s VAL 191 Ca 0.05 -0.37 0.12 0.00 -2.93 0.00 0.00 61.98 58.86 1iz4 s VAL 191 Cb -0.13 -0.70 -0.23 0.00 -1.53 0.00 0.00 36.38 33.79 1iz4 s VAL 191 CO -0.07 0.25 0.55 0.00 -3.33 0.00 0.00 175.10 172.49 1iz4 n GLN 192 N 3.27 0.65 -3.44 1.54 1.13 -0.34 -4.91 117.38 115.28 1iz4 n GLN 192 Ca -0.18 0.25 -0.12 0.00 -1.94 0.00 0.00 57.00 55.01 1iz4 n GLN 192 Cb 0.54 -1.75 -0.02 0.00 0.11 0.00 0.00 30.24 29.13 1iz4 n GLN 192 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1iz4 s GLU 193 N -2.58 1.26 0.13 -1.09 2.02 -1.26 -5.12 118.70 112.06 1iz4 s GLU 193 Ca -0.07 -0.47 -0.35 0.00 0.02 0.00 0.00 54.97 54.10 1iz4 s GLU 193 Cb 0.08 0.57 -0.15 0.00 0.10 0.00 0.00 34.13 34.73 1iz4 s GLU 193 CO 0.82 -0.55 1.45 -1.91 0.02 0.00 0.00 175.26 175.09 1iz4 n GLU 194 N -0.37 1.64 -4.88 1.61 2.13 -1.26 -4.82 120.64 114.69 1iz4 n GLU 194 Ca -0.16 0.59 -0.28 0.00 0.66 0.00 0.00 57.16 57.97 1iz4 n GLU 194 Cb 0.65 -2.29 -0.17 0.00 0.27 0.00 0.00 31.44 29.90 1iz4 n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1iz4 s THR 195 N 0.64 1.56 -0.00 6.31 2.01 -0.54 -4.92 115.64 120.70 1iz4 s THR 195 Ca 0.81 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 62.09 1iz4 s THR 195 Cb -0.81 -1.37 0.00 0.00 0.01 0.00 0.00 72.50 70.32 1iz4 s THR 195 CO 0.43 0.45 -0.03 -0.54 -0.69 0.00 0.00 174.62 174.24 1iz4 s LYS 196 N 0.49 0.23 0.07 4.92 1.02 -1.26 -1.01 119.74 124.21 1iz4 s LYS 196 Ca -0.16 -0.09 -0.26 0.00 0.02 0.00 0.00 55.97 55.48 1iz4 s LYS 196 Cb -0.17 -0.24 0.08 0.00 -0.52 0.00 0.00 37.83 36.98 1iz4 s LYS 196 CO 0.06 0.04 0.70 0.45 -0.92 0.00 0.00 175.35 175.68 1iz4 s SER 197 N 0.03 -0.52 0.06 2.83 0.15 -0.86 -2.31 113.70 113.07 1iz4 s SER 197 Ca 0.00 0.13 0.09 0.00 0.70 0.00 0.00 55.95 56.86 1iz4 s SER 197 Cb -0.02 0.52 -0.03 0.00 -1.71 0.00 0.00 66.02 64.78 1iz4 s SER 197 CO -0.00 -0.80 -0.24 0.00 1.20 0.00 0.00 173.24 173.40 1iz4 s ALA 198 N -3.09 2.06 0.04 5.45 0.00 -1.26 0.27 121.76 125.22 1iz4 s ALA 198 Ca 0.00 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 50.76 1iz4 s ALA 198 Cb -0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1iz4 s ALA 198 CO -0.08 0.47 -0.07 0.71 0.00 0.00 0.00 175.76 176.79 1iz4 s TYR 199 N -0.87 0.63 0.21 0.00 1.51 -0.41 -4.53 117.35 113.90 1iz4 s TYR 199 Ca 0.10 -0.48 -0.32 0.00 -1.01 0.00 0.00 57.07 55.36 1iz4 s TYR 199 Cb -0.10 -0.38 -0.11 0.00 -0.11 0.00 0.00 41.96 41.26 1iz4 s TYR 199 CO 0.03 -0.09 1.66 0.20 -1.11 0.00 0.00 175.55 176.24 1iz4 s GLY 200 N -1.50 1.45 0.19 0.71 0.00 -1.26 -0.99 107.32 105.92 1iz4 s GLY 200 Ca -0.10 1.54 -0.10 0.00 0.00 0.00 0.00 44.72 46.06 1iz4 s GLY 200 CO 0.00 2.76 1.77 -2.08 0.00 0.00 0.00 173.10 175.55 1iz4 h VAL 201 N 3.78 1.24 -0.12 1.40 2.07 -1.71 -2.55 116.25 120.35 1iz4 h VAL 201 Ca -0.44 -0.72 -0.09 0.00 0.82 0.00 0.00 66.70 66.27 1iz4 h VAL 201 Cb 1.20 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1iz4 h VAL 201 CO 0.92 0.29 -0.35 0.77 0.02 0.00 0.00 177.57 179.23 1iz4 h SER 202 N 1.00 0.25 -0.21 0.57 4.64 -1.92 -0.71 113.55 117.16 1iz4 h SER 202 Ca 0.24 -0.09 -0.08 0.00 -0.47 0.00 0.00 61.79 61.39 1iz4 h SER 202 Cb 0.17 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1iz4 h SER 202 CO -0.02 0.59 -0.17 1.88 -0.87 0.00 0.00 176.83 178.23 1iz4 h TYR 203 N 0.21 0.58 -0.81 4.77 -1.99 -1.94 -2.72 116.97 115.08 1iz4 h TYR 203 Ca 0.03 -0.17 -0.02 0.00 2.00 0.00 0.00 58.73 60.57 1iz4 h TYR 203 Cb 0.72 -0.13 -0.04 0.00 2.00 0.00 0.00 36.73 39.28 1iz4 h TYR 203 CO 0.01 0.82 0.43 -0.07 -0.00 0.00 0.00 178.16 179.35 1iz4 h LEU 204 N 0.18 1.03 -0.84 3.88 3.38 -1.23 -0.58 115.31 121.13 1iz4 h LEU 204 Ca 0.04 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 57.95 1iz4 h LEU 204 Cb 0.71 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 1iz4 h LEU 204 CO 0.05 0.85 0.52 0.28 0.09 0.00 0.00 178.44 180.23 1iz4 h SER 205 N 1.14 0.83 -0.32 -0.43 0.02 -1.10 -1.18 113.55 112.51 1iz4 h SER 205 Ca 0.28 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.12 1iz4 h SER 205 Cb 0.06 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1iz4 h SER 205 CO -0.04 0.54 -0.28 0.44 -1.14 0.00 0.00 176.83 176.35 1iz4 h ASP 206 N 0.97 0.80 -0.47 3.07 3.32 -1.11 -2.87 116.42 120.12 1iz4 h ASP 206 Ca 0.36 -0.46 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 1iz4 h ASP 206 Cb 0.14 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1iz4 h ASP 206 CO -0.16 1.09 0.30 0.24 -1.72 0.00 0.00 179.24 178.98 1iz4 h MET 207 N 0.51 0.64 -0.55 3.56 2.86 -0.62 -2.11 114.93 119.22 1iz4 h MET 207 Ca 0.05 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1iz4 h MET 207 Cb 0.85 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1iz4 h MET 207 CO 0.07 0.44 0.00 1.33 1.06 0.00 0.00 176.91 179.81 1iz4 n VAL 208 N -4.44 0.77 -2.09 -2.22 0.24 -0.49 -4.88 118.33 105.21 1iz4 n VAL 208 Ca 0.04 -0.74 -0.42 0.00 -2.04 0.00 0.00 64.34 61.18 1iz4 n VAL 208 Cb 0.07 0.35 -0.03 0.00 -1.47 0.00 0.00 33.84 32.76 1iz4 n VAL 208 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1iz4 s LYS 209 N -1.30 4.26 0.00 7.34 2.47 -0.80 -2.47 119.74 129.24 1iz4 s LYS 209 Ca 0.37 2.14 0.00 0.00 -1.56 0.00 0.00 55.97 56.92 1iz4 s LYS 209 Cb 0.19 -3.49 0.00 0.00 -1.46 0.00 0.00 37.83 33.08 1iz4 s LYS 209 CO 0.24 -0.60 0.00 0.41 0.16 0.00 0.00 175.35 175.56 1iz4 n GLY 210 N 3.74 0.51 3.75 5.54 0.00 -1.26 -4.65 105.19 112.82 1iz4 n GLY 210 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1iz4 n GLY 210 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iz4 s LEU 211 N 0.00 4.52 0.35 0.99 0.20 -1.03 -4.97 118.68 118.74 1iz4 s LEU 211 Ca 0.00 2.22 -0.25 0.00 0.69 0.00 0.00 54.13 56.79 1iz4 s LEU 211 Cb 0.00 -3.62 -0.10 0.00 -0.43 0.00 0.00 46.19 42.05 1iz4 s LEU 211 CO 0.00 -0.21 1.00 -0.83 -0.29 0.00 0.00 176.35 176.01 1iz4 s GLY 212 N -0.49 2.77 0.36 7.98 0.00 -1.26 -4.95 107.32 111.74 1iz4 s GLY 212 Ca 0.47 0.61 0.07 0.00 0.00 0.00 0.00 44.72 45.87 1iz4 s GLY 212 CO 0.39 1.05 1.89 0.50 0.00 0.00 0.00 173.10 176.93 1iz4 h LYS 213 N 2.89 0.36 -0.02 2.90 1.57 -1.95 -2.55 116.57 119.78 1iz4 h LYS 213 Ca -0.47 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 1iz4 h LYS 213 Cb 1.20 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1iz4 h LYS 213 CO 0.64 0.46 -0.09 0.00 -0.57 0.00 0.00 179.45 179.88 1iz4 n ALA 214 N -2.48 2.74 -1.77 3.86 0.00 -1.26 -1.16 120.51 120.44 1iz4 n ALA 214 Ca 0.00 -0.48 -0.38 0.00 0.00 0.00 0.00 53.44 52.58 1iz4 n ALA 214 Cb 0.26 -1.08 -0.00 0.00 0.00 0.00 0.00 19.45 18.63 1iz4 n ALA 214 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1iz4 s ASP 215 N -2.15 6.10 -0.25 0.00 1.01 -0.96 -4.73 116.67 115.69 1iz4 s ASP 215 Ca 0.32 2.47 -0.17 0.00 0.71 0.00 0.00 52.55 55.89 1iz4 s ASP 215 Cb 0.20 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.48 1iz4 s ASP 215 CO 0.39 -0.98 0.45 -1.61 0.21 0.00 0.00 175.17 173.62 1iz4 s GLU 216 N -2.57 4.07 -0.13 8.23 2.02 -1.26 0.18 118.70 129.24 1iz4 s GLU 216 Ca 0.62 0.21 -0.00 0.00 0.02 0.00 0.00 54.97 55.82 1iz4 s GLU 216 Cb -0.33 -3.63 -0.01 0.00 0.10 0.00 0.00 34.13 30.25 1iz4 s GLU 216 CO 0.41 -0.26 -0.13 0.08 0.02 0.00 0.00 175.26 175.37 1iz4 s VAL 217 N 2.03 3.02 -0.21 2.63 1.01 0.12 -4.51 120.40 124.50 1iz4 s VAL 217 Ca 0.19 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 1iz4 s VAL 217 Cb -0.16 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1iz4 s VAL 217 CO 0.09 0.52 0.19 -0.89 0.00 0.00 0.00 175.10 175.02 1iz4 s THR 218 N 0.37 5.36 -0.10 3.92 2.01 -0.32 -0.80 115.64 126.07 1iz4 s THR 218 Ca -0.11 0.30 0.04 0.00 0.31 0.00 0.00 61.69 62.23 1iz4 s THR 218 Cb -0.16 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1iz4 s THR 218 CO 0.06 0.38 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.51 1iz4 s ILE 219 N 0.71 1.96 -0.05 1.82 1.01 0.14 -1.45 121.20 125.34 1iz4 s ILE 219 Ca 0.10 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.83 1iz4 s ILE 219 Cb -0.13 -1.70 -0.00 0.00 0.01 0.00 0.00 42.46 40.64 1iz4 s ILE 219 CO 0.02 0.54 -0.16 -0.54 0.00 0.00 0.00 174.94 174.80 1iz4 s LYS 220 N 0.37 1.82 0.38 2.79 1.02 -0.37 -0.47 119.74 125.28 1iz4 s LYS 220 Ca -0.18 -0.58 -0.13 0.00 0.02 0.00 0.00 55.97 55.10 1iz4 s LYS 220 Cb -0.18 -1.55 0.05 0.00 -0.52 0.00 0.00 37.83 35.63 1iz4 s LYS 220 CO 0.08 0.20 0.73 -0.59 -0.92 0.00 0.00 175.35 174.85 1iz4 s PHE 221 N 0.16 0.34 0.35 3.18 -0.12 -0.75 -0.46 117.98 120.68 1iz4 s PHE 221 Ca -0.07 -0.94 -0.01 0.00 -0.05 0.00 0.00 56.93 55.87 1iz4 s PHE 221 Cb -0.12 0.66 -0.00 0.00 -0.63 0.00 0.00 43.02 42.92 1iz4 s PHE 221 CO 0.03 -1.51 0.45 0.20 -0.05 0.00 0.00 175.22 174.35 1iz4 s GLY 222 N -3.12 1.62 -0.10 1.99 0.00 -1.26 -1.64 107.32 104.82 1iz4 s GLY 222 Ca 0.19 -1.60 -0.29 0.00 0.00 0.00 0.00 44.72 43.01 1iz4 s GLY 222 CO 0.14 -1.06 1.66 -1.31 0.00 0.00 0.00 173.10 172.52 1iz4 s ASN 223 N -3.26 6.55 -1.58 1.64 0.01 -1.26 -2.78 114.94 114.26 1iz4 s ASN 223 Ca 0.32 2.06 -0.14 0.00 -0.71 0.00 0.00 52.86 54.39 1iz4 s ASN 223 Cb -0.00 -2.53 0.10 0.00 0.41 0.00 0.00 41.25 39.23 1iz4 s ASN 223 CO 0.22 -1.05 0.83 -0.62 -1.51 0.00 0.00 177.10 174.96 1iz4 n GLU 224 N 7.32 -4.26 -4.43 -0.60 1.02 -0.98 -4.96 120.64 113.76 1iz4 n GLU 224 Ca 0.18 0.48 -0.21 0.00 -0.02 0.00 0.00 57.16 57.60 1iz4 n GLU 224 Cb 0.43 -5.20 -0.10 0.00 -0.02 0.00 0.00 31.44 26.55 1iz4 n GLU 224 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1iz4 s MET 225 N -6.72 1.58 0.83 3.49 -1.94 -1.12 -4.92 119.30 110.50 1iz4 s MET 225 Ca 0.59 -1.85 -0.11 0.00 -1.71 0.00 0.00 55.69 52.61 1iz4 s MET 225 Cb -0.31 -0.88 0.09 0.00 2.01 0.00 0.00 34.83 35.74 1iz4 s MET 225 CO 0.88 -0.13 1.10 -1.25 -0.01 0.00 0.00 175.02 175.60 1iz4 s PRO 226 N -3.86 1.82 0.02 2.03 0.04 -1.26 -4.25 135.00 129.54 1iz4 s PRO 226 Ca 0.34 1.12 0.06 0.00 0.04 0.00 0.00 61.00 62.55 1iz4 s PRO 226 Cb 0.07 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 1iz4 s PRO 226 CO 0.14 -1.94 -0.15 0.00 0.04 0.00 0.00 177.00 175.09 1iz4 s MET 227 N -4.88 2.25 -0.21 4.56 0.23 -0.13 -4.08 119.30 117.04 1iz4 s MET 227 Ca 0.62 -0.88 -0.04 0.00 -1.03 0.00 0.00 55.69 54.37 1iz4 s MET 227 Cb -0.18 -2.28 -0.01 0.00 -1.53 0.00 0.00 34.83 30.83 1iz4 s MET 227 CO 0.57 0.57 -0.05 -1.14 -2.03 0.00 0.00 175.02 172.94 1iz4 s GLN 228 N -1.29 3.39 -0.06 3.16 0.74 0.39 -0.42 119.66 125.58 1iz4 s GLN 228 Ca 0.15 -0.62 0.03 0.00 0.05 0.00 0.00 55.36 54.96 1iz4 s GLN 228 Cb -0.11 -2.98 -0.02 0.00 1.10 0.00 0.00 33.01 31.00 1iz4 s GLN 228 CO 0.05 -0.15 -0.15 1.41 -0.55 0.00 0.00 175.29 175.91 1iz4 s MET 229 N 1.34 2.64 -0.14 1.67 -2.45 -0.03 -1.24 119.30 121.09 1iz4 s MET 229 Ca 0.04 -0.71 -0.15 0.00 -1.25 0.00 0.00 55.69 53.62 1iz4 s MET 229 Cb -0.14 -2.41 0.04 0.00 1.25 0.00 0.00 34.83 33.57 1iz4 s MET 229 CO -0.02 0.55 0.42 -2.00 1.05 0.00 0.00 175.02 175.02 1iz4 s GLU 230 N -0.53 0.53 0.03 4.11 2.12 -0.53 -0.29 118.70 124.14 1iz4 s GLU 230 Ca 0.07 0.51 -0.01 0.00 0.36 0.00 0.00 54.97 55.90 1iz4 s GLU 230 Cb -0.12 0.26 -0.02 0.00 0.26 0.00 0.00 34.13 34.51 1iz4 s GLU 230 CO 0.01 -0.08 -0.01 1.52 -0.54 0.00 0.00 175.26 176.16 1iz4 s TYR 231 N 0.04 0.30 0.15 5.30 -0.85 -0.90 -1.18 117.35 120.21 1iz4 s TYR 231 Ca -0.02 -0.63 -0.01 0.00 -0.52 0.00 0.00 57.07 55.90 1iz4 s TYR 231 Cb -0.03 -0.22 -0.04 0.00 0.38 0.00 0.00 41.96 42.04 1iz4 s TYR 231 CO 0.01 -0.25 0.33 0.71 -1.52 0.00 0.00 175.55 174.84 1iz4 s TYR 232 N -2.08 3.49 -0.20 -3.49 2.02 -1.26 -1.32 117.35 114.50 1iz4 s TYR 232 Ca -0.10 0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.95 1iz4 s TYR 232 Cb -0.05 -1.84 0.03 0.00 -0.40 0.00 0.00 41.96 39.70 1iz4 s TYR 232 CO -0.03 0.45 -0.17 0.42 -1.57 0.00 0.00 175.55 174.66 1iz4 s ILE 233 N -1.73 2.03 -1.46 2.71 1.01 0.86 -4.66 121.20 119.96 1iz4 s ILE 233 Ca 0.38 -1.12 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 1iz4 s ILE 233 Cb -0.12 -1.94 0.06 0.00 0.01 0.00 0.00 42.46 40.47 1iz4 s ILE 233 CO 0.28 0.36 0.80 0.54 0.00 0.00 0.00 174.94 176.91 1iz4 n ARG 234 N 4.58 -5.08 0.00 2.79 5.12 -1.26 -0.11 116.66 122.70 1iz4 n ARG 234 Ca -0.18 0.65 0.00 0.00 -1.93 0.00 0.00 57.85 56.39 1iz4 n ARG 234 Cb 0.48 -5.51 0.00 0.00 -1.16 0.00 0.00 32.46 26.26 1iz4 n ARG 234 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1iz4 n ASP 235 N -2.64 0.00 0.01 0.55 10.43 -1.26 -4.36 116.55 119.28 1iz4 n ASP 235 Ca -0.01 0.00 0.04 0.00 2.57 0.00 0.00 54.79 57.39 1iz4 n ASP 235 Cb 0.55 0.00 -0.10 0.00 1.84 0.00 0.00 41.12 43.41 1iz4 n ASP 235 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1iz4 n GLU 236 N 0.00 0.64 -2.34 -1.24 4.71 -1.20 -4.94 120.64 116.27 1iz4 n GLU 236 Ca 0.00 0.05 -0.28 0.00 -0.01 0.00 0.00 57.16 56.92 1iz4 n GLU 236 Cb 0.00 -1.69 0.02 0.00 -1.01 0.00 0.00 31.44 28.76 1iz4 n GLU 236 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1iz4 s GLY 237 N -4.74 1.58 -0.13 0.62 0.00 0.84 -4.68 107.32 100.80 1iz4 s GLY 237 Ca -0.05 -0.51 -0.23 0.00 0.00 0.00 0.00 44.72 43.93 1iz4 s GLY 237 CO 0.84 -0.26 0.57 1.09 0.00 0.00 0.00 173.10 175.34 1iz4 s ARG 238 N -4.98 0.81 -0.17 2.90 1.70 -0.44 -0.10 118.95 118.67 1iz4 s ARG 238 Ca 0.52 0.48 0.00 0.00 -0.47 0.00 0.00 55.73 56.26 1iz4 s ARG 238 Cb -0.11 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.66 1iz4 s ARG 238 CO 0.47 -0.18 -0.16 -1.17 -1.08 0.00 0.00 175.30 173.18 1iz4 s LEU 239 N -0.44 2.39 -0.02 -1.89 2.96 -0.44 -1.57 118.68 119.68 1iz4 s LEU 239 Ca -0.06 -0.53 0.06 0.00 -0.22 0.00 0.00 54.13 53.39 1iz4 s LEU 239 Cb -0.03 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 1iz4 s LEU 239 CO 0.04 0.05 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.01 1iz4 s THR 240 N 1.04 1.74 0.04 3.68 2.01 0.95 -2.12 115.64 122.98 1iz4 s THR 240 Ca -0.01 -0.93 0.07 0.00 0.31 0.00 0.00 61.69 61.13 1iz4 s THR 240 Cb -0.15 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 1iz4 s THR 240 CO -0.04 0.49 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.81 1iz4 s PHE 241 N -0.43 1.88 -0.18 4.92 0.40 0.61 -0.36 117.98 124.81 1iz4 s PHE 241 Ca 0.06 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 1iz4 s PHE 241 Cb -0.09 -1.12 0.04 0.00 0.51 0.00 0.00 43.02 42.35 1iz4 s PHE 241 CO -0.00 0.09 -0.10 -1.17 0.70 0.00 0.00 175.22 174.74 1iz4 s LEU 242 N -1.15 1.96 -0.17 -0.37 0.20 -0.70 -0.85 118.68 117.62 1iz4 s LEU 242 Ca 0.08 -0.74 0.01 0.00 0.69 0.00 0.00 54.13 54.17 1iz4 s LEU 242 Cb -0.09 -1.13 0.01 0.00 -0.43 0.00 0.00 46.19 44.55 1iz4 s LEU 242 CO 0.02 -0.14 -0.18 -0.22 -0.29 0.00 0.00 176.35 175.53 1iz4 s LEU 243 N 1.48 2.25 0.51 -0.68 2.96 0.44 -1.27 118.68 124.38 1iz4 s LEU 243 Ca 0.01 -0.58 -0.22 0.00 -0.22 0.00 0.00 54.13 53.11 1iz4 s LEU 243 Cb -0.15 -1.51 -0.06 0.00 0.50 0.00 0.00 46.19 44.97 1iz4 s LEU 243 CO -0.09 0.04 1.29 0.00 -1.32 0.00 0.00 176.35 176.27 1iz4 s ALA 244 N 1.07 2.88 -0.30 5.97 0.00 -0.70 -0.96 121.76 129.71 1iz4 s ALA 244 Ca -0.01 1.19 0.20 0.00 0.00 0.00 0.00 51.96 53.34 1iz4 s ALA 244 Cb -0.14 -3.50 0.18 0.00 0.00 0.00 0.00 23.12 19.66 1iz4 s ALA 244 CO -0.06 -1.11 1.44 -1.00 0.00 0.00 0.00 175.76 175.03 1iz4 h PRO 245 N 1.67 0.00 0.00 0.00 0.13 -1.80 -3.44 132.00 128.57 1iz4 h PRO 245 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1iz4 h PRO 245 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1iz4 h PRO 245 CO 0.58 0.18 0.00 -2.13 -0.23 0.00 0.00 178.00 176.41 1iz4 n ARG 246 N -3.08 0.00 0.00 0.86 0.63 -1.26 -4.57 116.66 109.24 1iz4 n ARG 246 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1iz4 n ARG 246 Cb 0.62 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.53 1iz4 n ARG 246 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40