#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iak s GLU 2 N 0.00 3.47 -0.09 0.38 2.02 -1.26 -5.10 118.70 118.11 1iak s GLU 2 Ca 0.00 -0.48 -0.33 0.00 0.02 0.00 0.00 54.97 54.19 1iak s GLU 2 Cb 0.00 -2.74 0.15 0.00 0.10 0.00 0.00 34.13 31.63 1iak s GLU 2 CO 0.00 0.25 1.44 0.00 0.02 0.00 0.00 175.26 176.96 1iak s ALA 3 N -2.19 -2.53 0.02 5.21 0.00 -1.26 -5.03 121.76 115.98 1iak s ALA 3 Ca 0.38 0.92 -0.04 0.00 0.00 0.00 0.00 51.96 53.22 1iak s ALA 3 Cb -0.09 0.27 -0.28 0.00 0.00 0.00 0.00 23.12 23.01 1iak s ALA 3 CO 0.33 -1.07 0.93 -0.44 0.00 0.00 0.00 175.76 175.52 1iak h ASP 4 N 2.00 0.41 -5.38 0.00 3.32 -2.08 -3.48 116.42 111.21 1iak h ASP 4 Ca -0.33 -0.52 -0.17 0.00 0.02 0.00 0.00 57.03 56.03 1iak h ASP 4 Cb 1.19 -0.13 -0.15 0.00 0.22 0.00 0.00 39.33 40.46 1iak h ASP 4 CO 0.30 1.43 -0.63 -1.00 -1.72 0.00 0.00 179.24 177.62 1iak s HIS 5 N -2.63 0.76 -0.19 4.55 3.76 -1.26 -5.08 115.29 115.21 1iak s HIS 5 Ca -0.08 -1.16 -0.05 0.00 -0.15 0.00 0.00 55.06 53.62 1iak s HIS 5 Cb 0.07 -0.43 0.09 0.00 1.11 0.00 0.00 32.58 33.42 1iak s HIS 5 CO 0.86 -0.51 0.36 0.08 -0.85 0.00 0.00 174.74 174.68 1iak s VAL 6 N -4.02 -0.56 -0.13 -0.90 1.01 -1.26 -5.01 120.40 109.53 1iak s VAL 6 Ca 0.20 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 1iak s VAL 6 Cb 0.07 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 1iak s VAL 6 CO -0.01 0.04 -0.08 -0.83 0.00 0.00 0.00 175.10 174.22 1iak s GLY 7 N 2.54 1.64 -0.54 4.51 0.00 -1.26 -0.47 107.32 113.73 1iak s GLY 7 Ca 0.02 -0.86 -0.00 0.00 0.00 0.00 0.00 44.72 43.88 1iak s GLY 7 CO -0.12 -0.23 0.32 -0.56 0.00 0.00 0.00 173.10 172.51 1iak s SER 8 N 0.14 4.92 -1.00 1.64 0.01 0.16 -4.99 113.70 114.57 1iak s SER 8 Ca -0.04 -2.74 -0.17 0.00 1.31 0.00 0.00 55.95 54.32 1iak s SER 8 Cb -0.14 -1.77 0.15 0.00 0.21 0.00 0.00 66.02 64.48 1iak s SER 8 CO 0.04 -0.35 1.18 -0.31 0.41 0.00 0.00 173.24 174.21 1iak s TYR 9 N 0.11 3.31 0.00 2.43 2.02 -1.26 -1.77 117.35 122.18 1iak s TYR 9 Ca 0.15 -1.68 0.00 0.00 -0.37 0.00 0.00 57.07 55.17 1iak s TYR 9 Cb -0.22 -4.24 0.00 0.00 -0.40 0.00 0.00 41.96 37.10 1iak s TYR 9 CO -0.03 -1.41 0.00 0.41 -1.57 0.00 0.00 175.55 172.95 1iak n GLY 9 N 4.92 0.99 3.70 0.71 0.00 -1.06 -5.03 105.19 109.41 1iak n GLY 9 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1iak n GLY 9 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iak s ILE 10 N -1.91 2.73 -0.15 -0.61 1.01 0.27 -4.83 121.20 117.70 1iak s ILE 10 Ca 0.00 0.35 -0.00 0.00 0.00 0.00 0.00 60.65 60.99 1iak s ILE 10 Cb 0.00 -3.22 0.03 0.00 0.01 0.00 0.00 42.46 39.28 1iak s ILE 10 CO 0.00 0.01 -0.09 -0.89 0.00 0.00 0.00 174.94 173.97 1iak s THR 11 N 2.10 1.25 -0.07 2.92 2.01 -1.26 -1.72 115.64 120.88 1iak s THR 11 Ca 0.74 -0.56 0.04 0.00 0.31 0.00 0.00 61.69 62.22 1iak s THR 11 Cb -0.43 -1.30 -0.00 0.00 0.01 0.00 0.00 72.50 70.78 1iak s THR 11 CO 0.33 0.29 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.65 1iak s VAL 12 N 1.60 1.73 0.03 3.82 1.01 -0.27 -5.00 120.40 123.31 1iak s VAL 12 Ca 0.03 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1iak s VAL 12 Cb -0.14 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1iak s VAL 12 CO -0.09 0.49 -0.10 -0.47 0.00 0.00 0.00 175.10 174.93 1iak s TYR 13 N 0.21 0.90 -0.02 5.22 5.04 -1.26 -0.83 117.35 126.61 1iak s TYR 13 Ca -0.11 -0.32 -0.02 0.00 -2.44 0.00 0.00 57.07 54.17 1iak s TYR 13 Cb -0.15 -0.55 0.00 0.00 0.35 0.00 0.00 41.96 41.62 1iak s TYR 13 CO 0.05 -0.01 0.06 -1.14 -1.34 0.00 0.00 175.55 173.17 1iak s GLN 14 N -0.98 0.14 0.04 4.97 0.74 0.97 -5.00 119.66 120.55 1iak s GLN 14 Ca -0.01 -0.05 0.02 0.00 0.05 0.00 0.00 55.36 55.38 1iak s GLN 14 Cb -0.07 0.06 -0.02 0.00 1.10 0.00 0.00 33.01 34.08 1iak s GLN 14 CO 0.01 -0.02 -0.08 -1.12 -0.55 0.00 0.00 175.29 173.52 1iak s SER 15 N -0.29 0.93 1.05 6.67 0.01 -1.26 -1.73 113.70 119.09 1iak s SER 15 Ca -0.03 -0.55 -0.17 0.00 1.31 0.00 0.00 55.95 56.51 1iak s SER 15 Cb -0.02 0.03 0.23 0.00 0.21 0.00 0.00 66.02 66.46 1iak s SER 15 CO 0.00 -0.19 1.21 -2.16 0.41 0.00 0.00 173.24 172.51 1iak s PRO 16 N -1.58 -0.05 0.00 12.44 0.04 -1.26 -5.00 135.00 139.59 1iak s PRO 16 Ca -0.09 -0.17 0.00 0.00 0.04 0.00 0.00 61.00 60.78 1iak s PRO 16 Cb -0.10 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1iak s PRO 16 CO 0.01 -2.91 0.00 0.41 0.04 0.00 0.00 177.00 174.54 1iak n GLY 17 N -2.40 2.82 3.54 0.56 0.00 -1.26 -4.62 105.19 103.82 1iak n GLY 17 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1iak n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iak n ASP 18 N 0.00 -4.73 -4.57 1.61 9.92 -1.16 -4.97 116.55 112.65 1iak n ASP 18 Ca 0.00 -0.86 -0.39 0.00 -0.53 0.00 0.00 54.79 53.01 1iak n ASP 18 Cb 0.00 -4.19 -0.11 0.00 -0.64 0.00 0.00 41.12 36.19 1iak n ASP 18 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1iak s ILE 19 N -3.49 5.29 0.07 0.53 1.01 -0.70 -4.96 121.20 118.95 1iak s ILE 19 Ca 0.35 0.10 0.03 0.00 0.00 0.00 0.00 60.65 61.12 1iak s ILE 19 Cb -0.09 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1iak s ILE 19 CO 0.81 0.17 -0.08 -0.83 0.00 0.00 0.00 174.94 175.00 1iak s GLY 20 N 1.74 0.65 -0.06 6.18 0.00 -1.26 -0.02 107.32 114.55 1iak s GLY 20 Ca 0.08 -1.00 -0.04 0.00 0.00 0.00 0.00 44.72 43.76 1iak s GLY 20 CO 0.11 -1.07 0.14 1.62 0.00 0.00 0.00 173.10 173.90 1iak s GLN 21 N -2.36 0.13 -0.14 2.90 0.74 -0.01 -4.95 119.66 115.96 1iak s GLN 21 Ca -0.01 0.27 -0.01 0.00 0.05 0.00 0.00 55.36 55.65 1iak s GLN 21 Cb -0.05 -0.04 0.04 0.00 1.10 0.00 0.00 33.01 34.06 1iak s GLN 21 CO -0.01 -0.08 -0.04 -0.47 -0.55 0.00 0.00 175.29 174.14 1iak s TYR 22 N 0.55 1.41 0.19 1.67 5.04 -1.26 -1.12 117.35 123.84 1iak s TYR 22 Ca -0.04 -0.82 0.01 0.00 -2.44 0.00 0.00 57.07 53.77 1iak s TYR 22 Cb -0.06 -1.18 -0.05 0.00 0.35 0.00 0.00 41.96 41.03 1iak s TYR 22 CO -0.03 -0.54 0.05 0.95 -1.34 0.00 0.00 175.55 174.64 1iak s THR 23 N 1.73 0.47 -0.09 4.34 -4.23 -0.70 -1.12 115.64 116.03 1iak s THR 23 Ca 0.02 -1.97 0.04 0.00 -1.18 0.00 0.00 61.69 58.60 1iak s THR 23 Cb -0.14 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.45 1iak s THR 23 CO -0.07 -0.33 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.11 1iak s PHE 24 N -3.81 2.33 0.01 3.99 0.40 -1.04 -0.57 117.98 119.30 1iak s PHE 24 Ca 0.28 -0.95 0.08 0.00 -0.60 0.00 0.00 56.93 55.74 1iak s PHE 24 Cb 0.07 -1.58 -0.02 0.00 0.51 0.00 0.00 43.02 42.00 1iak s PHE 24 CO 0.06 -0.40 -0.24 -1.21 0.70 0.00 0.00 175.22 174.14 1iak s GLU 25 N 0.43 1.75 -0.09 0.44 2.02 -0.73 -0.48 118.70 122.04 1iak s GLU 25 Ca -0.17 -0.94 -0.00 0.00 0.02 0.00 0.00 54.97 53.87 1iak s GLU 25 Cb -0.17 -1.80 0.02 0.00 0.10 0.00 0.00 34.13 32.28 1iak s GLU 25 CO 0.07 0.48 -0.05 0.12 0.02 0.00 0.00 175.26 175.90 1iak s PHE 26 N -0.68 1.16 -1.46 1.61 5.36 0.32 -0.67 117.98 123.62 1iak s PHE 26 Ca 0.09 -0.49 -0.11 0.00 -0.96 0.00 0.00 56.93 55.46 1iak s PHE 26 Cb -0.09 -1.03 0.06 0.00 -0.34 0.00 0.00 43.02 41.62 1iak s PHE 26 CO 0.01 -0.40 0.77 -0.25 -1.46 0.00 0.00 175.22 173.88 1iak n ASP 27 N 4.82 -4.81 0.00 6.13 9.92 0.38 -1.55 116.55 131.44 1iak n ASP 27 Ca -0.13 -0.55 0.00 0.00 -0.53 0.00 0.00 54.79 53.58 1iak n ASP 27 Cb 0.50 -3.88 0.00 0.00 -0.64 0.00 0.00 41.12 37.10 1iak n ASP 27 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1iak n GLY 28 N -1.51 1.35 3.75 0.44 0.00 -1.26 -5.02 105.19 102.93 1iak n GLY 28 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1iak n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iak s ASP 29 N -3.16 5.25 -0.44 1.61 1.01 -0.59 -5.07 116.67 115.28 1iak s ASP 29 Ca 0.00 -0.22 -0.28 0.00 0.71 0.00 0.00 52.55 52.75 1iak s ASP 29 Cb 0.00 -1.29 0.03 0.00 1.01 0.00 0.00 42.92 42.67 1iak s ASP 29 CO 0.00 0.08 1.09 -0.70 0.21 0.00 0.00 175.17 175.85 1iak s GLU 30 N -3.02 3.78 -0.05 8.23 2.12 -1.26 -0.52 118.70 127.98 1iak s GLU 30 Ca 0.30 0.63 -0.25 0.00 0.36 0.00 0.00 54.97 56.00 1iak s GLU 30 Cb -0.10 -3.87 -0.22 0.00 0.26 0.00 0.00 34.13 30.20 1iak s GLU 30 CO 0.22 -1.24 1.09 -0.07 -0.54 0.00 0.00 175.26 174.71 1iak h LEU 31 N 10.86 0.14 -7.74 2.70 3.38 -1.12 -3.39 115.31 120.14 1iak h LEU 31 Ca -0.23 -0.70 0.23 0.00 0.09 0.00 0.00 57.88 57.28 1iak h LEU 31 Cb 1.06 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.70 1iak h LEU 31 CO 1.09 0.82 0.68 0.72 0.09 0.00 0.00 178.44 181.84 1iak s PHE 32 N -3.42 -0.00 0.03 1.13 -0.12 -1.19 -2.51 117.98 111.90 1iak s PHE 32 Ca -0.16 -0.26 -0.01 0.00 -0.05 0.00 0.00 56.93 56.45 1iak s PHE 32 Cb 0.01 0.63 -0.03 0.00 -0.63 0.00 0.00 43.02 43.00 1iak s PHE 32 CO 0.72 -0.65 -0.02 1.52 -0.05 0.00 0.00 175.22 176.75 1iak s TYR 33 N -2.43 0.35 -0.24 3.49 -0.85 -0.84 -2.49 117.35 114.34 1iak s TYR 33 Ca 0.20 -0.72 -0.10 0.00 -0.52 0.00 0.00 57.07 55.93 1iak s TYR 33 Cb -0.00 -0.26 -0.05 0.00 0.38 0.00 0.00 41.96 42.03 1iak s TYR 33 CO 0.02 -0.28 0.14 0.08 -1.52 0.00 0.00 175.55 173.98 1iak s VAL 34 N -2.49 5.10 -0.52 -3.49 1.01 -0.28 -0.35 120.40 119.38 1iak s VAL 34 Ca -0.06 0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.73 1iak s VAL 34 Cb -0.02 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.98 1iak s VAL 34 CO -0.05 0.34 1.51 -0.62 0.00 0.00 0.00 175.10 176.28 1iak s ASP 35 N 1.19 6.03 0.46 3.32 -1.08 0.77 -4.58 116.67 122.78 1iak s ASP 35 Ca 0.07 0.47 0.13 0.00 -0.52 0.00 0.00 52.55 52.70 1iak s ASP 35 Cb -0.14 -2.54 1.05 0.00 -1.46 0.00 0.00 42.92 39.83 1iak s ASP 35 CO 0.05 -1.75 2.05 -0.07 0.52 0.00 0.00 175.17 175.96 1iak h LEU 36 N 13.44 0.09 0.00 -1.34 3.38 -1.93 0.81 115.31 129.77 1iak h LEU 36 Ca -0.28 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1iak h LEU 36 Cb 1.11 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1iak h LEU 36 CO 1.15 0.17 -0.21 0.44 0.09 0.00 0.00 178.44 180.08 1iak h ASP 37 N 0.10 0.00 1.73 -0.43 3.32 -1.97 -3.33 116.42 115.84 1iak h ASP 37 Ca 0.02 -0.84 0.00 0.00 0.02 0.00 0.00 57.03 56.23 1iak h ASP 37 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1iak h ASP 37 CO 0.01 1.05 0.00 0.11 -1.72 0.00 0.00 179.24 178.68 1iak h LYS 38 N -1.00 0.00 -5.30 3.56 1.57 -1.97 -3.48 116.57 109.96 1iak h LYS 38 Ca -0.06 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.49 1iak h LYS 38 Cb 0.98 0.00 0.19 0.00 0.08 0.00 0.00 32.23 33.48 1iak h LYS 38 CO -0.03 0.00 -0.80 1.63 -0.57 0.00 0.00 179.45 179.68 1iak n LYS 39 N -2.86 -2.10 -3.94 3.15 5.02 0.28 -5.04 118.16 112.68 1iak n LYS 39 Ca 0.04 0.83 -0.09 0.00 -2.02 0.00 0.00 58.31 57.07 1iak n LYS 39 Cb 0.47 -5.57 -0.09 0.00 -0.02 0.00 0.00 35.03 29.82 1iak n LYS 39 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1iak s GLU 40 N -4.29 0.63 -0.29 1.97 2.02 -1.12 -4.89 118.70 112.73 1iak s GLU 40 Ca 0.43 -0.84 -0.16 0.00 0.02 0.00 0.00 54.97 54.41 1iak s GLU 40 Cb -0.06 0.25 -0.03 0.00 0.10 0.00 0.00 34.13 34.39 1iak s GLU 40 CO 0.70 -0.16 0.42 0.99 0.02 0.00 0.00 175.26 177.22 1iak s THR 41 N -2.97 5.13 -0.41 3.63 2.01 -1.26 -0.17 115.64 121.61 1iak s THR 41 Ca -0.02 0.50 -0.10 0.00 0.31 0.00 0.00 61.69 62.38 1iak s THR 41 Cb 0.01 -3.78 0.06 0.00 0.01 0.00 0.00 72.50 68.80 1iak s THR 41 CO -0.06 0.04 0.25 -0.69 -0.69 0.00 0.00 174.62 173.47 1iak s VAL 42 N 2.16 4.37 0.03 3.82 1.01 0.53 -4.96 120.40 127.35 1iak s VAL 42 Ca 0.16 -1.21 -0.25 0.00 0.00 0.00 0.00 61.98 60.68 1iak s VAL 42 Cb -0.16 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1iak s VAL 42 CO 0.11 -0.42 0.78 0.26 0.00 0.00 0.00 175.10 175.83 1iak s TRP 43 N 1.47 3.71 0.11 5.22 0.52 -1.26 -1.99 118.94 126.72 1iak s TRP 43 Ca 0.02 1.47 -0.17 0.00 0.02 0.00 0.00 56.10 57.44 1iak s TRP 43 Cb -0.22 -2.85 -0.04 0.00 -1.15 0.00 0.00 33.47 29.21 1iak s TRP 43 CO 0.04 0.22 1.58 1.98 0.02 0.00 0.00 176.95 180.79 1iak h MET 44 N 5.92 0.56 -4.09 4.98 1.85 -1.69 -3.34 114.93 119.12 1iak h MET 44 Ca -0.43 -0.15 -0.76 0.00 -0.61 0.00 0.00 59.70 57.75 1iak h MET 44 Cb 1.21 -0.06 -0.25 0.00 0.43 0.00 0.00 31.60 32.92 1iak h MET 44 CO 0.72 0.65 -0.22 -0.51 -0.40 0.00 0.00 176.91 177.15 1iak s LEU 45 N -9.55 6.17 0.55 3.39 1.43 -1.26 -4.95 118.68 114.45 1iak s LEU 45 Ca -0.13 -1.89 0.33 0.00 -1.03 0.00 0.00 54.13 51.41 1iak s LEU 45 Cb 0.09 -2.18 1.49 0.00 0.03 0.00 0.00 46.19 45.62 1iak s LEU 45 CO 0.76 -0.81 1.84 -0.65 0.23 0.00 0.00 176.35 177.72 1iak h PRO 46 N 8.72 0.00 -0.16 1.29 0.11 -1.98 -1.06 132.00 138.92 1iak h PRO 46 Ca -0.25 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.79 1iak h PRO 46 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1iak h PRO 46 CO 0.99 0.00 -0.22 1.05 -0.21 0.00 0.00 178.00 179.61 1iak h GLU 47 N 0.00 0.28 -0.56 1.05 9.09 -1.94 -2.75 114.58 119.76 1iak h GLU 47 Ca 0.45 -0.09 0.04 0.00 0.05 0.00 0.00 59.36 59.81 1iak h GLU 47 Cb 1.90 -0.03 -0.03 0.00 -1.65 0.00 0.00 28.75 28.94 1iak h GLU 47 CO -0.00 0.50 0.37 0.74 0.05 0.00 0.00 179.01 180.66 1iak h PHE 48 N 0.26 0.60 0.00 2.06 -1.00 -1.58 -0.75 116.94 116.53 1iak h PHE 48 Ca 0.04 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.84 1iak h PHE 48 Cb 0.54 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 39.90 1iak h PHE 48 CO 0.01 0.34 0.00 0.00 -1.61 0.00 0.00 178.31 177.05 1iak n ALA 49 N -2.47 1.53 0.05 2.45 0.00 -1.04 -1.24 120.51 119.78 1iak n ALA 49 Ca 0.07 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.56 1iak n ALA 49 Cb 0.16 -1.13 -0.08 0.00 0.00 0.00 0.00 19.45 18.41 1iak n ALA 49 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1iak n GLN 50 N -1.31 0.63 -0.00 0.00 -0.06 -0.29 -4.40 117.38 111.95 1iak n GLN 50 Ca 0.04 0.02 0.06 0.00 -2.00 0.00 0.00 57.00 55.11 1iak n GLN 50 Cb 0.07 -1.71 -0.07 0.00 -4.06 0.00 0.00 30.24 24.46 1iak n GLN 50 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1iak n LEU 51 N -2.57 0.35 -3.70 1.69 4.77 -0.37 -5.03 117.00 112.13 1iak n LEU 51 Ca -0.04 -0.32 -0.11 0.00 -0.03 0.00 0.00 56.01 55.50 1iak n LEU 51 Cb 0.63 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.66 1iak n LEU 51 CO 0.43 0.09 0.09 0.00 -1.33 0.00 0.00 177.39 176.66 1iak s ARG 52 N -2.33 0.95 0.02 3.23 1.70 -0.60 -5.13 118.95 116.80 1iak s ARG 52 Ca 0.01 -0.64 -0.10 0.00 -0.47 0.00 0.00 55.73 54.53 1iak s ARG 52 Cb 0.08 0.41 0.01 0.00 -0.57 0.00 0.00 34.95 34.88 1iak s ARG 52 CO 0.47 -0.34 0.21 -0.98 -1.08 0.00 0.00 175.30 173.58 1iak s ARG 53 N -3.32 0.65 -0.04 3.89 1.70 -1.26 -4.28 118.95 116.29 1iak s ARG 53 Ca 0.00 -0.50 0.01 0.00 -0.47 0.00 0.00 55.73 54.78 1iak s ARG 53 Cb 0.01 0.27 0.02 0.00 -0.57 0.00 0.00 34.95 34.68 1iak s ARG 53 CO -0.08 -0.18 -0.05 0.12 -1.08 0.00 0.00 175.30 174.02 1iak s PHE 54 N -2.09 0.75 -0.36 5.89 5.36 -1.26 -5.11 117.98 121.16 1iak s PHE 54 Ca -0.09 -0.20 -0.29 0.00 -0.96 0.00 0.00 56.93 55.40 1iak s PHE 54 Cb -0.03 -0.63 0.02 0.00 -0.34 0.00 0.00 43.02 42.04 1iak s PHE 54 CO -0.01 -0.16 1.07 -1.21 -1.46 0.00 0.00 175.22 173.45 1iak s GLU 55 N 0.70 3.96 0.53 10.12 0.41 -1.26 -4.77 118.70 128.39 1iak s GLU 55 Ca -0.10 0.90 0.31 0.00 -0.41 0.00 0.00 54.97 55.67 1iak s GLU 55 Cb -0.13 -3.78 1.45 0.00 -1.78 0.00 0.00 34.13 29.89 1iak s GLU 55 CO 0.00 -1.02 1.88 -1.00 -0.49 0.00 0.00 175.26 174.64 1iak h PRO 56 N 8.39 0.04 -1.00 0.39 0.13 -1.92 -1.89 132.00 136.13 1iak h PRO 56 Ca -0.21 -0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.13 1iak h PRO 56 Cb 1.06 -0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.07 1iak h PRO 56 CO 1.05 0.02 0.61 1.96 -0.23 0.00 0.00 178.00 181.41 1iak h GLN 57 N 0.04 0.66 -0.59 0.86 4.20 -1.93 1.23 115.11 119.58 1iak h GLN 57 Ca 0.44 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 59.13 1iak h GLN 57 Cb 1.69 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 29.29 1iak h GLN 57 CO -0.02 0.44 0.39 0.78 -0.67 0.00 0.00 178.83 179.74 1iak h GLY 58 N 0.68 0.79 0.58 3.46 0.00 -1.75 0.26 103.07 107.10 1iak h GLY 58 Ca 0.61 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 1iak h GLY 58 CO -0.42 0.26 -0.07 -1.33 0.00 0.00 0.00 176.54 174.98 1iak h GLY 59 N 0.72 -0.21 0.42 4.60 0.00 0.13 -2.21 103.07 106.51 1iak h GLY 59 Ca 0.23 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.69 1iak h GLY 59 CO -0.06 -0.08 -0.10 1.41 0.00 0.00 0.00 176.54 177.72 1iak h LEU 60 N -0.63 -0.33 -0.47 3.11 3.38 -0.35 -1.64 115.31 118.37 1iak h LEU 60 Ca -0.02 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1iak h LEU 60 Cb 0.47 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 1iak h LEU 60 CO 0.03 -0.13 0.19 -0.61 0.09 0.00 0.00 178.44 178.02 1iak h GLN 61 N -0.05 0.37 -0.24 1.13 4.15 -0.54 0.29 115.11 120.21 1iak h GLN 61 Ca 0.13 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.48 1iak h GLN 61 Cb 0.25 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1iak h GLN 61 CO -0.29 0.25 -0.07 -0.91 -1.93 0.00 0.00 178.83 175.87 1iak h ASN 62 N 0.38 0.36 -0.09 -0.69 4.21 -0.94 -2.16 115.58 116.65 1iak h ASN 62 Ca 0.22 -0.07 -0.03 0.00 1.21 0.00 0.00 56.30 57.63 1iak h ASN 62 Cb 0.20 -0.09 -0.00 0.00 -1.12 0.00 0.00 38.32 37.30 1iak h ASN 62 CO -0.20 0.48 -0.08 0.40 -1.29 0.00 0.00 177.43 176.73 1iak h ILE 63 N 0.36 1.36 -0.97 2.81 1.08 -0.36 -0.88 117.51 120.91 1iak h ILE 63 Ca 0.08 -1.21 0.19 0.00 -0.39 0.00 0.00 64.86 63.53 1iak h ILE 63 Cb 0.36 1.96 -0.09 0.00 -3.07 0.00 0.00 36.82 35.98 1iak h ILE 63 CO 0.02 0.34 0.61 0.00 -0.69 0.00 0.00 178.15 178.43 1iak h ALA 64 N 0.58 1.90 -0.04 1.87 0.00 -0.69 0.48 119.26 123.36 1iak h ALA 64 Ca 0.02 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 1iak h ALA 64 Cb 0.58 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1iak h ALA 64 CO 0.02 -0.23 -0.75 1.15 0.00 0.00 0.00 179.25 179.44 1iak h THR 65 N 0.63 1.42 -0.39 0.00 2.02 -1.23 -1.89 112.91 113.47 1iak h THR 65 Ca 0.53 -2.28 -0.02 0.00 0.77 0.00 0.00 66.41 65.42 1iak h THR 65 Cb 1.00 2.22 -0.02 0.00 -1.74 0.00 0.00 68.15 69.61 1iak h THR 65 CO -0.29 0.67 0.17 1.23 0.37 0.00 0.00 175.52 177.68 1iak h GLY 66 N 1.55 0.62 0.59 2.16 0.00 0.13 0.08 103.07 108.20 1iak h GLY 66 Ca -0.03 -0.32 0.01 0.00 0.00 0.00 0.00 47.33 46.99 1iak h GLY 66 CO 0.12 0.31 -0.28 1.70 0.00 0.00 0.00 176.54 178.38 1iak h LYS 67 N 0.49 -0.52 -0.49 4.80 3.64 -0.70 -1.04 116.57 122.74 1iak h LYS 67 Ca 0.13 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.64 1iak h LYS 67 Cb 0.16 0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 32.01 1iak h LYS 67 CO -0.01 -0.35 0.00 1.25 -2.27 0.00 0.00 179.45 178.07 1iak h HIS 68 N -0.54 -0.03 0.00 1.91 2.76 -1.08 0.23 115.15 118.41 1iak h HIS 68 Ca 0.01 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1iak h HIS 68 Cb 0.53 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.58 1iak h HIS 68 CO -0.22 -0.11 0.00 -0.91 -1.30 0.00 0.00 177.93 175.39 1iak h ASN 69 N 0.12 0.00 -0.10 3.26 2.35 -0.66 -3.03 115.58 117.52 1iak h ASN 69 Ca 0.25 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.93 1iak h ASN 69 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1iak h ASN 69 CO -0.41 0.00 -0.23 0.25 -1.65 0.00 0.00 177.43 175.39 1iak h LEU 70 N 0.00 0.37 0.21 1.61 5.85 0.39 -0.47 115.31 123.28 1iak h LEU 70 Ca 0.00 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.15 1iak h LEU 70 Cb 0.51 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1iak h LEU 70 CO 0.00 0.88 -0.18 -0.33 -0.34 0.00 0.00 178.44 178.46 1iak h GLU 71 N -0.12 -0.40 -0.74 1.25 5.08 -1.41 0.43 114.58 118.66 1iak h GLU 71 Ca -0.00 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1iak h GLU 71 Cb 0.82 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.10 1iak h GLU 71 CO 0.05 -0.27 0.41 0.82 -1.00 0.00 0.00 179.01 179.03 1iak h ILE 72 N -0.41 0.93 0.00 3.13 2.04 -1.58 -0.91 117.51 120.71 1iak h ILE 72 Ca -0.01 -0.25 -0.18 0.00 1.00 0.00 0.00 64.86 65.42 1iak h ILE 72 Cb 0.38 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1iak h ILE 72 CO -0.03 0.13 -0.84 -0.07 0.00 0.00 0.00 178.15 177.35 1iak h LEU 73 N 0.73 0.15 -0.23 1.44 -0.00 -0.69 -1.76 115.31 114.95 1iak h LEU 73 Ca 0.35 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.88 58.09 1iak h LEU 73 Cb 0.27 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.88 1iak h LEU 73 CO -0.22 0.92 0.09 0.74 -0.00 0.00 0.00 178.44 179.97 1iak h THR 74 N 0.07 1.17 -0.67 0.22 2.02 0.34 -1.97 112.91 114.09 1iak h THR 74 Ca -0.03 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.63 1iak h THR 74 Cb 1.46 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 1iak h THR 74 CO 0.12 0.17 0.40 0.11 0.37 0.00 0.00 175.52 176.70 1iak h LYS 75 N 0.22 0.91 -0.30 6.66 1.57 -1.16 0.76 116.57 125.22 1iak h LYS 75 Ca 0.08 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1iak h LYS 75 Cb 0.18 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1iak h LYS 75 CO -0.01 0.65 0.20 0.00 -0.57 0.00 0.00 179.45 179.73 1iak h ARG 76 N 0.91 0.29 -0.01 3.15 3.08 -0.89 -0.67 114.38 120.24 1iak h ARG 76 Ca 0.24 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1iak h ARG 76 Cb -0.03 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1iak h ARG 76 CO -0.04 0.19 -0.26 -1.13 -1.07 0.00 0.00 179.97 177.65 1iak n SER 77 N -4.49 1.00 -2.16 7.04 3.41 -0.78 -4.93 113.62 112.71 1iak n SER 77 Ca 0.02 -0.86 -0.07 0.00 -0.26 0.00 0.00 58.87 57.70 1iak n SER 77 Cb 0.16 0.13 0.04 0.00 -0.26 0.00 0.00 64.21 64.28 1iak n SER 77 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1iak n ASN 78 N -0.68 -2.66 -3.97 4.04 3.02 -0.26 -4.00 115.26 110.75 1iak n ASN 78 Ca 0.12 -0.29 -0.26 0.00 -0.03 0.00 0.00 54.58 54.12 1iak n ASN 78 Cb 0.35 -2.60 -0.02 0.00 -0.61 0.00 0.00 39.78 36.89 1iak n ASN 78 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1iak n SER 79 N -2.06 -0.42 -4.65 6.41 7.64 0.23 -4.94 113.62 115.83 1iak n SER 79 Ca -0.10 -1.03 -0.43 0.00 1.01 0.00 0.00 58.87 58.32 1iak n SER 79 Cb 0.57 -2.93 -0.02 0.00 -1.01 0.00 0.00 64.21 60.82 1iak n SER 79 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1iak s THR 80 N -3.98 4.34 0.67 0.44 2.01 -1.26 -5.01 115.64 112.85 1iak s THR 80 Ca 0.02 1.57 -0.11 0.00 0.31 0.00 0.00 61.69 63.49 1iak s THR 80 Cb -0.01 -4.17 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 1iak s THR 80 CO 0.90 -0.31 1.05 -2.84 -0.69 0.00 0.00 174.62 172.72 1iak s PRO 81 N 3.70 3.18 0.25 4.92 0.02 -1.26 -5.02 135.00 140.79 1iak s PRO 81 Ca 0.52 0.89 -0.30 0.00 0.02 0.00 0.00 61.00 62.13 1iak s PRO 81 Cb -0.17 -2.02 -0.09 0.00 0.02 0.00 0.00 34.50 32.23 1iak s PRO 81 CO 0.16 -0.91 1.19 0.00 -0.33 0.00 0.00 177.00 177.12 1iak s ALA 82 N -3.09 3.45 0.10 -1.55 0.00 -1.26 -5.01 121.76 114.41 1iak s ALA 82 Ca 0.57 1.01 -0.29 0.00 0.00 0.00 0.00 51.96 53.25 1iak s ALA 82 Cb -0.13 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.53 1iak s ALA 82 CO 0.54 -0.36 0.92 0.99 0.00 0.00 0.00 175.76 177.85 1iak s THR 83 N -0.63 4.53 0.05 0.00 2.01 -1.26 -4.97 115.64 115.38 1iak s THR 83 Ca 0.50 1.98 -0.29 0.00 0.31 0.00 0.00 61.69 64.19 1iak s THR 83 Cb -0.34 -4.28 -0.05 0.00 0.01 0.00 0.00 72.50 67.84 1iak s THR 83 CO 0.41 0.33 0.92 0.20 -0.69 0.00 0.00 174.62 175.80 1iak s ASN 84 N -0.06 7.38 0.33 3.53 0.01 -1.26 -4.37 114.94 120.50 1iak s ASN 84 Ca 0.45 1.66 0.07 0.00 -0.71 0.00 0.00 52.86 54.34 1iak s ASN 84 Cb -0.23 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 38.85 1iak s ASN 84 CO 0.29 -0.12 0.30 -1.61 -1.51 0.00 0.00 177.10 174.45 1iak s GLU 85 N 0.38 2.80 -0.41 -0.60 0.41 0.25 -4.86 118.70 116.67 1iak s GLU 85 Ca 0.47 -1.23 -0.16 0.00 -0.41 0.00 0.00 54.97 53.64 1iak s GLU 85 Cb -0.22 -2.53 0.02 0.00 -1.78 0.00 0.00 34.13 29.62 1iak s GLU 85 CO 0.28 0.13 0.37 0.00 -0.49 0.00 0.00 175.26 175.54 1iak s ALA 86 N -2.27 3.46 0.52 5.21 0.00 -1.26 -3.98 121.76 123.43 1iak s ALA 86 Ca 0.40 -1.59 -0.22 0.00 0.00 0.00 0.00 51.96 50.56 1iak s ALA 86 Cb -0.06 -2.96 -0.06 0.00 0.00 0.00 0.00 23.12 20.04 1iak s ALA 86 CO 0.27 -1.49 1.25 -2.14 0.00 0.00 0.00 175.76 173.64 1iak s PRO 87 N 1.92 3.38 -0.15 0.00 0.02 -1.25 -4.87 135.00 134.05 1iak s PRO 87 Ca 0.09 1.96 0.01 0.00 0.02 0.00 0.00 61.00 63.08 1iak s PRO 87 Cb -0.18 -2.27 0.02 0.00 0.02 0.00 0.00 34.50 32.09 1iak s PRO 87 CO 0.12 -0.91 -0.17 -0.65 -0.33 0.00 0.00 177.00 175.05 1iak s GLN 88 N -2.89 2.60 0.11 5.54 -0.21 -0.37 -4.96 119.66 119.49 1iak s GLN 88 Ca 0.69 -0.68 0.03 0.00 0.02 0.00 0.00 55.36 55.41 1iak s GLN 88 Cb -0.33 -2.27 -0.04 0.00 1.00 0.00 0.00 33.01 31.36 1iak s GLN 88 CO 0.39 -0.18 0.18 0.00 -2.12 0.00 0.00 175.29 173.56 1iak s ALA 89 N 1.28 3.77 -0.05 6.09 0.00 -1.26 -0.83 121.76 130.77 1iak s ALA 89 Ca 0.02 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 50.93 1iak s ALA 89 Cb -0.13 -1.60 0.03 0.00 0.00 0.00 0.00 23.12 21.42 1iak s ALA 89 CO -0.09 0.65 0.10 0.99 0.00 0.00 0.00 175.76 177.41 1iak s THR 90 N -1.60 -0.04 -0.10 0.00 2.01 0.11 -4.97 115.64 111.05 1iak s THR 90 Ca 0.32 0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.48 1iak s THR 90 Cb -0.12 -0.18 -0.02 0.00 0.01 0.00 0.00 72.50 72.20 1iak s THR 90 CO 0.25 0.06 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.44 1iak s VAL 91 N 0.88 3.29 -0.03 3.82 1.01 -1.26 -0.15 120.40 127.97 1iak s VAL 91 Ca -0.07 -0.61 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 1iak s VAL 91 Cb -0.09 -2.36 0.05 0.00 0.00 0.00 0.00 36.38 33.98 1iak s VAL 91 CO -0.04 0.55 0.53 0.72 0.00 0.00 0.00 175.10 176.87 1iak s PHE 92 N -0.19 -0.46 0.41 5.22 -0.12 -0.41 -4.97 117.98 117.45 1iak s PHE 92 Ca 0.01 0.76 -0.21 0.00 -0.05 0.00 0.00 56.93 57.43 1iak s PHE 92 Cb -0.13 0.29 -0.11 0.00 -0.63 0.00 0.00 43.02 42.44 1iak s PHE 92 CO 0.03 -0.53 0.94 -1.25 -0.05 0.00 0.00 175.22 174.35 1iak s PRO 93 N -1.35 4.27 -0.02 1.99 0.04 -1.26 0.12 135.00 138.79 1iak s PRO 93 Ca -0.11 1.13 -0.26 0.00 0.04 0.00 0.00 61.00 61.79 1iak s PRO 93 Cb -0.02 -2.29 -0.20 0.00 0.04 0.00 0.00 34.50 32.02 1iak s PRO 93 CO 0.07 0.03 1.28 -0.22 0.04 0.00 0.00 177.00 178.20 1iak h LYS 94 N 2.13 -0.00 -6.00 4.56 3.64 -1.17 -3.47 116.57 116.27 1iak h LYS 94 Ca -0.49 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.35 1iak h LYS 94 Cb 1.18 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.93 1iak h LYS 94 CO 0.62 0.48 -0.47 -1.12 -2.27 0.00 0.00 179.45 176.68 1iak s SER 95 N -5.68 4.62 0.31 4.20 0.01 -1.26 -5.05 113.70 110.86 1iak s SER 95 Ca -0.16 -0.94 -0.29 0.00 1.31 0.00 0.00 55.95 55.87 1iak s SER 95 Cb 0.02 -0.55 -0.11 0.00 0.21 0.00 0.00 66.02 65.59 1iak s SER 95 CO 0.67 -0.53 1.45 -2.84 0.41 0.00 0.00 173.24 172.41 1iak s PRO 96 N -3.95 4.22 -0.08 12.44 0.02 -1.26 -4.91 135.00 141.48 1iak s PRO 96 Ca 0.42 2.41 -0.30 0.00 0.02 0.00 0.00 61.00 63.55 1iak s PRO 96 Cb 0.01 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.44 1iak s PRO 96 CO 0.24 -0.44 1.47 0.08 -0.33 0.00 0.00 177.00 178.02 1iak s VAL 97 N -0.56 3.84 -0.05 3.83 1.01 -1.26 -5.01 120.40 122.19 1iak s VAL 97 Ca 0.56 1.07 -0.02 0.00 0.00 0.00 0.00 61.98 63.60 1iak s VAL 97 Cb -0.44 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.28 1iak s VAL 97 CO 0.52 -0.07 0.03 -0.76 0.00 0.00 0.00 175.10 174.81 1iak s LEU 98 N 3.45 0.41 -0.17 3.92 1.43 -1.26 -5.02 118.68 121.44 1iak s LEU 98 Ca 0.65 -0.00 -0.40 0.00 -1.03 0.00 0.00 54.13 53.34 1iak s LEU 98 Cb -0.29 -0.29 -0.17 0.00 0.03 0.00 0.00 46.19 45.47 1iak s LEU 98 CO 0.24 -0.21 1.51 -0.11 0.23 0.00 0.00 176.35 178.01 1iak n LEU 99 N 5.16 1.66 0.00 1.79 7.94 -1.26 -0.58 117.00 131.71 1iak n LEU 99 Ca -0.06 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.95 1iak n LEU 99 Cb 0.50 -1.08 0.00 0.00 0.53 0.00 0.00 43.42 43.37 1iak n LEU 99 CO 0.09 -0.88 0.00 0.61 -1.11 0.00 0.00 177.39 176.11 1iak n GLY 100 N 3.31 2.98 3.67 -3.96 0.00 -0.74 -4.97 105.19 105.47 1iak n GLY 100 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1iak n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1iak s GLN 101 N -0.25 4.27 0.30 1.61 -1.52 0.26 -4.90 119.66 119.42 1iak s GLN 101 Ca 0.00 0.92 -0.29 0.00 -1.95 0.00 0.00 55.36 54.05 1iak s GLN 101 Cb 0.00 -3.58 -0.13 0.00 -0.22 0.00 0.00 33.01 29.08 1iak s GLN 101 CO 0.00 -0.33 1.25 -2.30 -0.25 0.00 0.00 175.29 173.66 1iak n PRO 102 N 5.26 1.91 -2.54 2.91 -0.02 -1.26 -4.23 135.00 137.03 1iak n PRO 102 Ca 0.03 0.67 -0.06 0.00 -2.02 0.00 0.00 63.50 62.13 1iak n PRO 102 Cb 0.49 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.73 1iak n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1iak n ASN 103 N 1.19 -0.38 -3.74 2.55 2.85 0.49 -5.00 115.26 113.21 1iak n ASN 103 Ca 0.07 -1.69 -0.14 0.00 -0.11 0.00 0.00 54.58 52.72 1iak n ASN 103 Cb 0.34 0.75 -0.14 0.00 1.24 0.00 0.00 39.78 41.96 1iak n ASN 103 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1iak s THR 104 N -2.52 -0.06 -0.02 -0.44 2.01 -1.26 -1.89 115.64 111.46 1iak s THR 104 Ca 0.11 0.19 -0.15 0.00 0.31 0.00 0.00 61.69 62.15 1iak s THR 104 Cb 0.00 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 72.21 1iak s THR 104 CO 0.08 0.08 0.40 -0.76 -0.69 0.00 0.00 174.62 173.73 1iak s LEU 105 N 1.22 4.44 -0.10 4.42 1.43 0.22 -0.53 118.68 129.78 1iak s LEU 105 Ca -0.09 0.92 0.03 0.00 -1.03 0.00 0.00 54.13 53.96 1iak s LEU 105 Cb -0.12 -2.58 -0.01 0.00 0.03 0.00 0.00 46.19 43.52 1iak s LEU 105 CO -0.06 0.28 -0.20 -0.63 0.23 0.00 0.00 176.35 175.97 1iak s ILE 106 N -0.83 2.44 -0.30 -0.59 1.01 0.12 -1.40 121.20 121.65 1iak s ILE 106 Ca 0.23 -0.89 -0.05 0.00 0.00 0.00 0.00 60.65 59.95 1iak s ILE 106 Cb -0.16 -1.96 0.03 0.00 0.01 0.00 0.00 42.46 40.37 1iak s ILE 106 CO 0.12 0.55 0.04 0.00 0.00 0.00 0.00 174.94 175.65 1iak s PHE 108 N 1.38 3.21 -0.21 0.00 5.36 0.79 -0.39 117.98 128.13 1iak s PHE 108 Ca -0.01 -0.30 -0.04 0.00 -0.96 0.00 0.00 56.93 55.63 1iak s PHE 108 Cb -0.18 -2.44 -0.01 0.00 -0.34 0.00 0.00 43.02 40.05 1iak s PHE 108 CO 0.00 -0.38 -0.04 0.08 -1.46 0.00 0.00 175.22 173.43 1iak s VAL 109 N 1.69 3.46 0.38 3.12 1.01 0.61 -0.71 120.40 129.96 1iak s VAL 109 Ca 0.06 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 61.65 1iak s VAL 109 Cb -0.17 -2.57 -0.06 0.00 0.00 0.00 0.00 36.38 33.59 1iak s VAL 109 CO 0.09 0.43 0.09 -0.62 0.00 0.00 0.00 175.10 175.09 1iak s ASP 110 N 1.33 4.28 -1.25 3.32 2.15 -0.01 -0.63 116.67 125.87 1iak s ASP 110 Ca 0.04 -1.06 -0.03 0.00 0.43 0.00 0.00 52.55 51.94 1iak s ASP 110 Cb -0.14 -0.51 0.00 0.00 -0.30 0.00 0.00 42.92 41.97 1iak s ASP 110 CO -0.02 -0.40 1.03 -3.20 -0.17 0.00 0.00 175.17 172.42 1iak n ASN 111 N -1.09 -3.19 -4.71 -0.34 5.15 -0.98 -1.24 115.26 108.87 1iak n ASN 111 Ca -0.03 -0.61 -0.39 0.00 -0.60 0.00 0.00 54.58 52.95 1iak n ASN 111 Cb 0.64 -5.02 -0.06 0.00 -0.53 0.00 0.00 39.78 34.81 1iak n ASN 111 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1iak s ILE 112 N -3.37 5.13 -0.30 -1.44 1.01 0.02 -3.80 121.20 118.45 1iak s ILE 112 Ca 0.17 1.08 -0.17 0.00 0.00 0.00 0.00 60.65 61.74 1iak s ILE 112 Cb -0.07 -3.88 0.18 0.00 0.01 0.00 0.00 42.46 38.69 1iak s ILE 112 CO 0.74 0.27 1.12 0.12 0.00 0.00 0.00 174.94 177.18 1iak s PHE 113 N 0.91 -0.39 0.95 3.97 5.36 -1.26 -0.35 117.98 127.17 1iak s PHE 113 Ca 0.29 0.70 -0.12 0.00 -0.96 0.00 0.00 56.93 56.84 1iak s PHE 113 Cb -0.16 0.23 0.16 0.00 -0.34 0.00 0.00 43.02 42.91 1iak s PHE 113 CO 0.12 -0.19 1.10 -1.25 -1.46 0.00 0.00 175.22 173.54 1iak s PRO 114 N 1.90 0.85 -0.46 10.12 0.04 -1.26 -0.58 135.00 145.59 1iak s PRO 114 Ca -0.04 0.53 -0.04 0.00 0.04 0.00 0.00 61.00 61.50 1iak s PRO 114 Cb -0.03 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.66 1iak s PRO 114 CO -0.15 -2.45 1.85 -0.35 0.04 0.00 0.00 177.00 175.93 1iak n PRO 115 N -3.98 1.35 -3.92 0.56 -0.04 -1.26 -4.73 135.00 122.97 1iak n PRO 115 Ca 0.06 -0.96 -0.18 0.00 -0.04 0.00 0.00 63.50 62.38 1iak n PRO 115 Cb 0.57 -2.13 -0.16 0.00 -0.04 0.00 0.00 33.50 31.74 1iak n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1iak s VAL 116 N 3.22 0.22 0.06 0.52 1.01 -1.26 -5.09 120.40 119.08 1iak s VAL 116 Ca 0.30 0.09 -0.27 0.00 0.00 0.00 0.00 61.98 62.10 1iak s VAL 116 Cb 0.10 -0.33 0.09 0.00 0.00 0.00 0.00 36.38 36.24 1iak s VAL 116 CO -0.02 0.17 0.88 -0.51 0.00 0.00 0.00 175.10 175.62 1iak s ILE 117 N 1.20 0.00 -0.11 2.22 2.07 -1.26 -4.72 121.20 120.60 1iak s ILE 117 Ca -0.07 -0.19 0.01 0.00 -1.41 0.00 0.00 60.65 58.99 1iak s ILE 117 Cb -0.13 -1.27 0.02 0.00 0.13 0.00 0.00 42.46 41.20 1iak s ILE 117 CO -0.02 0.00 -0.11 0.20 -1.91 0.00 0.00 174.94 173.10 1iak s ASN 118 N -2.63 2.23 -0.17 4.50 0.01 -0.82 -5.02 114.94 113.04 1iak s ASN 118 Ca 0.07 -0.36 0.01 0.00 -0.71 0.00 0.00 52.86 51.86 1iak s ASN 118 Cb -0.01 -0.94 0.03 0.00 0.41 0.00 0.00 41.25 40.73 1iak s ASN 118 CO -0.06 -0.05 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.70 1iak s ILE 119 N 1.31 1.70 0.25 0.60 1.01 -1.26 -1.34 121.20 123.47 1iak s ILE 119 Ca -0.01 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.86 1iak s ILE 119 Cb -0.14 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 1iak s ILE 119 CO -0.05 0.40 0.08 0.42 0.00 0.00 0.00 174.94 175.80 1iak s THR 120 N 1.42 0.58 0.04 2.92 -4.23 -0.19 -4.98 115.64 111.20 1iak s THR 120 Ca 0.03 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.62 1iak s THR 120 Cb -0.14 -2.57 -0.03 0.00 1.34 0.00 0.00 72.50 71.10 1iak s THR 120 CO -0.11 -0.06 -0.22 0.26 -0.54 0.00 0.00 174.62 173.96 1iak s TRP 121 N -3.74 2.46 -0.09 3.99 0.52 -1.26 0.34 118.94 121.16 1iak s TRP 121 Ca 0.36 -0.32 0.03 0.00 0.02 0.00 0.00 56.10 56.19 1iak s TRP 121 Cb 0.08 -1.44 0.01 0.00 -1.15 0.00 0.00 33.47 30.97 1iak s TRP 121 CO 0.12 0.19 -0.18 -0.51 0.02 0.00 0.00 176.95 176.60 1iak s LEU 122 N -1.32 1.85 -0.22 2.99 1.43 0.33 -0.32 118.68 123.42 1iak s LEU 122 Ca 0.13 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1iak s LEU 122 Cb -0.10 -1.13 0.01 0.00 0.03 0.00 0.00 46.19 45.00 1iak s LEU 122 CO 0.04 0.08 -0.10 -0.60 0.23 0.00 0.00 176.35 175.99 1iak s ARG 123 N 0.60 3.05 -1.31 1.70 3.52 0.25 -0.36 118.95 126.40 1iak s ARG 123 Ca -0.15 -0.82 -0.01 0.00 -0.13 0.00 0.00 55.73 54.63 1iak s ARG 123 Cb -0.16 -2.85 -0.00 0.00 -1.56 0.00 0.00 34.95 30.38 1iak s ARG 123 CO 0.05 -0.27 0.67 0.09 -0.81 0.00 0.00 175.30 175.03 1iak n ASN 124 N 4.69 -1.24 -1.06 -2.12 3.02 -0.31 -1.67 115.26 116.56 1iak n ASN 124 Ca -0.19 -0.84 -0.14 0.00 -0.03 0.00 0.00 54.58 53.39 1iak n ASN 124 Cb 0.49 -3.96 -0.06 0.00 -0.61 0.00 0.00 39.78 35.65 1iak n ASN 124 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1iak n SER 125 N -3.04 -5.51 -4.26 6.41 7.64 -1.26 -4.98 113.62 108.62 1iak n SER 125 Ca -0.29 0.34 -0.28 0.00 1.01 0.00 0.00 58.87 59.64 1iak n SER 125 Cb 0.68 -4.30 -0.15 0.00 -1.01 0.00 0.00 64.21 59.42 1iak n SER 125 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1iak s LYS 126 N -3.13 1.76 0.34 1.43 -0.14 -0.67 -5.05 119.74 114.27 1iak s LYS 126 Ca 0.00 -0.84 -0.29 0.00 -1.36 0.00 0.00 55.97 53.48 1iak s LYS 126 Cb 0.00 -1.74 -0.11 0.00 -1.68 0.00 0.00 37.83 34.30 1iak s LYS 126 CO 0.00 0.47 1.48 -1.54 -0.76 0.00 0.00 175.35 175.00 1iak s SER 127 N -0.67 6.44 -0.03 2.83 1.04 -1.26 -0.58 113.70 121.47 1iak s SER 127 Ca 0.09 2.94 -0.01 0.00 0.48 0.00 0.00 55.95 59.45 1iak s SER 127 Cb -0.09 -2.65 -0.04 0.00 0.10 0.00 0.00 66.02 63.34 1iak s SER 127 CO -0.00 -0.82 0.07 -0.69 0.98 0.00 0.00 173.24 172.78 1iak s VAL 128 N -0.76 4.69 0.00 5.02 1.01 0.57 -4.85 120.40 126.07 1iak s VAL 128 Ca 0.55 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 62.15 1iak s VAL 128 Cb -0.45 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 1iak s VAL 128 CO 0.56 0.42 -0.08 0.41 0.00 0.00 0.00 175.10 176.41 1iak n THR 129 N 1.43 0.95 -2.45 3.92 -1.04 -1.26 -4.58 114.28 111.24 1iak n THR 129 Ca -0.15 0.19 -0.34 0.00 -2.04 0.00 0.00 64.05 61.72 1iak n THR 129 Cb 0.53 -1.69 -0.03 0.00 -1.82 0.00 0.00 70.33 67.32 1iak n THR 129 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1iak s ASP 130 N -5.82 6.22 -0.50 8.00 1.01 -1.26 -3.73 116.67 120.58 1iak s ASP 130 Ca -0.07 1.93 0.00 0.00 0.71 0.00 0.00 52.55 55.12 1iak s ASP 130 Cb 0.02 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1iak s ASP 130 CO 0.10 -0.87 0.00 0.61 0.21 0.00 0.00 175.17 175.22 1iak n GLY 131 N -0.32 0.74 3.53 0.21 0.00 -1.26 -4.80 105.19 103.28 1iak n GLY 131 Ca 0.09 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 1iak n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iak s VAL 132 N -2.11 3.55 0.06 1.61 1.01 -1.24 -1.23 120.40 122.04 1iak s VAL 132 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 1iak s VAL 132 Cb 0.00 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1iak s VAL 132 CO 0.00 0.57 0.09 -0.47 0.00 0.00 0.00 175.10 175.29 1iak s TYR 133 N -0.48 0.28 0.02 5.22 5.04 -0.77 -4.98 117.35 121.69 1iak s TYR 133 Ca 0.07 -0.71 -0.07 0.00 -2.44 0.00 0.00 57.07 53.92 1iak s TYR 133 Cb -0.12 -0.19 -0.00 0.00 0.35 0.00 0.00 41.96 42.00 1iak s TYR 133 CO 0.02 -0.44 0.13 -2.00 -1.34 0.00 0.00 175.55 171.93 1iak s GLU 134 N -3.48 0.56 0.70 4.97 2.12 -1.26 -0.11 118.70 122.20 1iak s GLU 134 Ca 0.02 -0.56 0.01 0.00 0.36 0.00 0.00 54.97 54.80 1iak s GLU 134 Cb 0.04 0.23 0.14 0.00 0.26 0.00 0.00 34.13 34.79 1iak s GLU 134 CO -0.09 -0.14 0.96 0.25 -0.54 0.00 0.00 175.26 175.70 1iak n THR 135 N 1.08 0.00 -2.36 -1.70 -2.24 -0.69 -5.03 114.28 103.34 1iak n THR 135 Ca -0.21 -1.58 -0.25 0.00 -2.27 0.00 0.00 64.05 59.75 1iak n THR 135 Cb 0.57 -0.86 0.15 0.00 -2.10 0.00 0.00 70.33 68.08 1iak n THR 135 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1iak n SER 136 N -2.85 0.90 -4.73 3.42 7.64 -1.26 -4.76 113.62 111.98 1iak n SER 136 Ca 0.16 -1.89 -0.41 0.00 1.01 0.00 0.00 58.87 57.74 1iak n SER 136 Cb 0.58 -0.76 -0.04 0.00 -1.01 0.00 0.00 64.21 62.98 1iak n SER 136 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1iak s PHE 137 N -3.31 3.76 -0.02 1.43 0.08 -1.26 -4.65 117.98 114.01 1iak s PHE 137 Ca 0.68 1.66 -0.03 0.00 0.12 0.00 0.00 56.93 59.36 1iak s PHE 137 Cb -0.03 -2.97 -0.04 0.00 -0.57 0.00 0.00 43.02 39.41 1iak s PHE 137 CO 0.46 0.20 0.16 -0.06 -0.10 0.00 0.00 175.22 175.89 1iak s PHE 138 N 0.11 3.52 0.50 0.36 0.40 0.06 -4.90 117.98 118.03 1iak s PHE 138 Ca 0.44 0.36 -0.19 0.00 -0.60 0.00 0.00 56.93 56.94 1iak s PHE 138 Cb -0.22 -1.83 -0.08 0.00 0.51 0.00 0.00 43.02 41.40 1iak s PHE 138 CO 0.27 0.64 1.01 0.14 0.70 0.00 0.00 175.22 177.98 1iak s VAL 139 N -1.27 4.06 0.23 -0.44 -7.23 -1.26 -1.66 120.40 112.83 1iak s VAL 139 Ca 0.25 1.18 0.11 0.00 -1.81 0.00 0.00 61.98 61.71 1iak s VAL 139 Cb -0.12 -3.52 -0.05 0.00 0.56 0.00 0.00 36.38 33.25 1iak s VAL 139 CO 0.16 -0.38 -0.21 0.20 -0.31 0.00 0.00 175.10 174.56 1iak s ASN 140 N -2.35 3.42 0.56 4.85 0.01 -0.87 -4.82 114.94 115.74 1iak s ASN 140 Ca 0.64 -0.95 0.25 0.00 -0.71 0.00 0.00 52.86 52.09 1iak s ASN 140 Cb -0.13 -0.26 1.57 0.00 0.41 0.00 0.00 41.25 42.83 1iak s ASN 140 CO 0.23 0.06 2.14 -0.09 -1.51 0.00 0.00 177.10 177.93 1iak h ARG 141 N 2.74 0.00 -0.53 -0.60 2.43 -1.97 -0.24 114.38 116.21 1iak h ARG 141 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1iak h ARG 141 Cb 1.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1iak h ARG 141 CO 0.54 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.60 1iak n ASP 142 N -4.07 3.11 -0.06 -3.80 5.68 -1.26 -4.94 116.55 111.20 1iak n ASP 142 Ca 0.00 -1.97 -0.01 0.00 -0.50 0.00 0.00 54.79 52.31 1iak n ASP 142 Cb 0.25 -0.35 -0.00 0.00 -1.14 0.00 0.00 41.12 39.87 1iak n ASP 142 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1iak n TYR 143 N 1.21 0.00 -2.38 2.11 4.01 -0.10 -5.03 117.16 116.97 1iak n TYR 143 Ca 0.20 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.81 1iak n TYR 143 Cb 0.51 -0.56 0.07 0.00 -0.31 0.00 0.00 39.34 39.04 1iak n TYR 143 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1iak n SER 144 N 0.07 0.69 -4.42 7.72 3.41 -1.26 -4.86 113.62 114.97 1iak n SER 144 Ca -0.01 -1.59 -0.20 0.00 -0.26 0.00 0.00 58.87 56.80 1iak n SER 144 Cb 0.11 -0.36 -0.11 0.00 -0.26 0.00 0.00 64.21 63.59 1iak n SER 144 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1iak s PHE 145 N -1.63 1.88 0.07 7.33 0.40 0.53 -2.05 117.98 124.51 1iak s PHE 145 Ca 0.36 -0.99 0.02 0.00 -0.60 0.00 0.00 56.93 55.72 1iak s PHE 145 Cb -0.02 -1.21 -0.03 0.00 0.51 0.00 0.00 43.02 42.27 1iak s PHE 145 CO 0.24 -0.05 -0.08 -3.38 0.70 0.00 0.00 175.22 172.65 1iak s HIS 146 N -3.38 0.83 0.01 0.36 -3.43 -0.66 -0.80 115.29 108.21 1iak s HIS 146 Ca 0.37 -0.67 -0.13 0.00 -0.80 0.00 0.00 55.06 53.82 1iak s HIS 146 Cb 0.08 -0.48 0.02 0.00 -1.43 0.00 0.00 32.58 30.77 1iak s HIS 146 CO 0.15 -0.09 0.28 0.21 -2.00 0.00 0.00 174.74 173.28 1iak s LYS 147 N -2.58 0.68 -0.02 -0.38 2.20 0.20 -0.76 119.74 119.09 1iak s LYS 147 Ca 0.00 -0.34 0.05 0.00 -0.36 0.00 0.00 55.97 55.33 1iak s LYS 147 Cb -0.03 0.30 -0.01 0.00 -1.51 0.00 0.00 37.83 36.57 1iak s LYS 147 CO -0.01 -0.19 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.11 1iak s LEU 148 N -1.58 2.00 0.10 5.43 1.02 -1.26 -0.28 118.68 124.10 1iak s LEU 148 Ca -0.11 -0.31 0.08 0.00 0.02 0.00 0.00 54.13 53.81 1iak s LEU 148 Cb -0.04 -0.87 -0.04 0.00 0.02 0.00 0.00 46.19 45.26 1iak s LEU 148 CO 0.01 0.19 -0.15 -0.55 0.02 0.00 0.00 176.35 175.87 1iak s SER 149 N -0.28 4.05 -0.04 2.29 0.15 0.48 -1.71 113.70 118.63 1iak s SER 149 Ca 0.04 -0.48 0.05 0.00 0.70 0.00 0.00 55.95 56.27 1iak s SER 149 Cb -0.08 -0.66 -0.01 0.00 -1.71 0.00 0.00 66.02 63.57 1iak s SER 149 CO -0.00 0.19 -0.19 -0.31 1.20 0.00 0.00 173.24 174.13 1iak s TYR 150 N -1.13 1.84 -0.17 3.44 2.02 0.85 -0.65 117.35 123.54 1iak s TYR 150 Ca 0.18 -0.48 -0.01 0.00 -0.37 0.00 0.00 57.07 56.40 1iak s TYR 150 Cb -0.11 -1.22 0.04 0.00 -0.40 0.00 0.00 41.96 40.28 1iak s TYR 150 CO 0.10 -0.14 -0.04 -1.17 -1.57 0.00 0.00 175.55 172.73 1iak s LEU 151 N -0.13 1.64 0.30 -1.29 2.96 -0.49 -1.84 118.68 119.83 1iak s LEU 151 Ca -0.01 -0.71 -0.28 0.00 -0.22 0.00 0.00 54.13 52.91 1iak s LEU 151 Cb -0.11 -0.90 -0.09 0.00 0.50 0.00 0.00 46.19 45.59 1iak s LEU 151 CO 0.02 -0.20 1.08 0.42 -1.32 0.00 0.00 176.35 176.34 1iak s THR 152 N 1.64 3.58 0.18 3.68 -4.23 -0.36 -0.61 115.64 119.51 1iak s THR 152 Ca 0.00 1.51 -0.24 0.00 -1.18 0.00 0.00 61.69 61.78 1iak s THR 152 Cb -0.16 -3.93 0.06 0.00 1.34 0.00 0.00 72.50 69.81 1iak s THR 152 CO -0.08 0.30 0.77 0.72 -0.54 0.00 0.00 174.62 175.79 1iak s PHE 153 N -1.27 -0.29 -0.17 3.99 -0.71 -0.79 -4.92 117.98 113.82 1iak s PHE 153 Ca 0.47 -0.02 0.01 0.00 -1.04 0.00 0.00 56.93 56.35 1iak s PHE 153 Cb -0.29 0.63 0.01 0.00 -1.21 0.00 0.00 43.02 42.15 1iak s PHE 153 CO 0.37 -0.94 -0.18 0.42 -1.34 0.00 0.00 175.22 173.56 1iak s ILE 154 N -3.61 2.35 0.25 -4.49 1.01 -1.26 -0.38 121.20 115.06 1iak s ILE 154 Ca 0.08 -0.86 -0.31 0.00 0.00 0.00 0.00 60.65 59.56 1iak s ILE 154 Cb -0.03 -1.99 -0.11 0.00 0.01 0.00 0.00 42.46 40.34 1iak s ILE 154 CO -0.02 0.52 1.63 -2.84 0.00 0.00 0.00 174.94 174.23 1iak s PRO 155 N 1.08 4.14 0.32 2.79 0.02 -1.26 -4.84 135.00 137.24 1iak s PRO 155 Ca -0.00 2.55 -0.07 0.00 0.02 0.00 0.00 61.00 63.50 1iak s PRO 155 Cb -0.14 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 31.32 1iak s PRO 155 CO -0.06 -0.66 0.51 -1.54 -0.33 0.00 0.00 177.00 174.91 1iak s SER 156 N 0.79 0.47 0.18 2.53 1.04 -1.26 -1.80 113.70 115.66 1iak s SER 156 Ca 0.68 -1.27 0.04 0.00 0.48 0.00 0.00 55.95 55.88 1iak s SER 156 Cb -0.48 0.66 0.05 0.00 0.10 0.00 0.00 66.02 66.35 1iak s SER 156 CO 0.40 -1.29 1.42 0.44 0.98 0.00 0.00 173.24 175.20 1iak h ASP 157 N 2.16 0.19 0.67 7.02 3.32 -2.01 -3.36 116.42 124.41 1iak h ASP 157 Ca -0.28 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.49 1iak h ASP 157 Cb 1.24 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 1iak h ASP 157 CO 0.38 0.93 -1.43 0.47 -1.72 0.00 0.00 179.24 177.87 1iak n ASP 158 N -3.67 0.74 -4.69 6.45 8.00 -1.26 -4.94 116.55 117.18 1iak n ASP 158 Ca -0.03 0.31 -0.40 0.00 0.71 0.00 0.00 54.79 55.39 1iak n ASP 158 Cb 0.77 0.42 -0.05 0.00 -0.02 0.00 0.00 41.12 42.24 1iak n ASP 158 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1iak s ASP 159 N -5.57 6.88 0.16 -2.24 1.01 -1.26 -4.96 116.67 110.69 1iak s ASP 159 Ca -0.03 1.07 0.09 0.00 0.71 0.00 0.00 52.55 54.39 1iak s ASP 159 Cb 0.09 -2.40 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 1iak s ASP 159 CO 0.82 -0.22 -0.20 0.27 0.21 0.00 0.00 175.17 176.04 1iak s ILE 160 N 1.43 1.93 0.18 0.77 -4.36 -1.26 -4.61 121.20 115.27 1iak s ILE 160 Ca 0.35 -1.89 0.04 0.00 -0.26 0.00 0.00 60.65 58.88 1iak s ILE 160 Cb -0.17 -1.87 -0.05 0.00 1.25 0.00 0.00 42.46 41.63 1iak s ILE 160 CO 0.14 -0.23 -0.05 -0.31 0.24 0.00 0.00 174.94 174.73 1iak s TYR 161 N -1.82 1.34 -0.05 1.37 1.51 0.52 -1.16 117.35 119.06 1iak s TYR 161 Ca 0.15 -0.86 -0.06 0.00 -1.01 0.00 0.00 57.07 55.30 1iak s TYR 161 Cb -0.07 -0.73 0.01 0.00 -0.11 0.00 0.00 41.96 41.06 1iak s TYR 161 CO 0.07 -0.01 0.15 -0.51 -1.11 0.00 0.00 175.55 174.14 1iak s ASP 162 N -3.21 -0.12 -0.30 2.29 1.01 0.51 -0.63 116.67 116.22 1iak s ASP 162 Ca 0.21 0.21 -0.09 0.00 0.71 0.00 0.00 52.55 53.60 1iak s ASP 162 Cb 0.04 0.30 -0.01 0.00 1.01 0.00 0.00 42.92 44.26 1iak s ASP 162 CO 0.03 -0.11 0.12 0.00 0.21 0.00 0.00 175.17 175.43 1iak s LYS 164 N 1.59 4.12 -0.20 0.00 2.20 0.15 -1.20 119.74 126.40 1iak s LYS 164 Ca 0.04 0.12 -0.02 0.00 -0.36 0.00 0.00 55.97 55.76 1iak s LYS 164 Cb -0.17 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 1iak s LYS 164 CO 0.05 -0.11 -0.11 0.08 -0.36 0.00 0.00 175.35 174.90 1iak s VAL 165 N 1.53 2.82 -0.21 4.02 1.01 -0.12 -1.02 120.40 128.43 1iak s VAL 165 Ca 0.17 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1iak s VAL 165 Cb -0.15 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 34.00 1iak s VAL 165 CO 0.08 0.48 -0.12 -0.70 0.00 0.00 0.00 175.10 174.84 1iak s GLU 166 N 1.34 3.01 0.02 2.72 2.12 -0.45 -0.94 118.70 126.52 1iak s GLU 166 Ca 0.04 -0.84 -0.10 0.00 0.36 0.00 0.00 54.97 54.43 1iak s GLU 166 Cb -0.14 -2.80 0.01 0.00 0.26 0.00 0.00 34.13 31.46 1iak s GLU 166 CO -0.07 -0.27 0.21 -1.58 -0.54 0.00 0.00 175.26 173.01 1iak s HIS 167 N 1.34 -0.01 0.64 5.30 2.46 -1.26 -1.95 115.29 121.81 1iak s HIS 167 Ca 0.03 -0.10 0.36 0.00 0.47 0.00 0.00 55.06 55.82 1iak s HIS 167 Cb -0.15 -0.00 2.04 0.00 -0.13 0.00 0.00 32.58 34.34 1iak s HIS 167 CO -0.08 -0.38 2.23 -1.49 -2.47 0.00 0.00 174.74 172.55 1iak h TRP 168 N 3.78 0.00 -0.17 3.88 6.55 -1.91 0.55 115.95 128.63 1iak h TRP 168 Ca -0.31 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.53 1iak h TRP 168 Cb 1.19 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.49 1iak h TRP 168 CO 0.53 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 178.33 1iak n GLY 169 N -1.22 0.29 3.19 1.49 0.00 -1.26 -4.77 105.19 102.91 1iak n GLY 169 Ca -0.02 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 1iak n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iak s LEU 170 N -1.56 2.36 0.35 0.99 1.43 0.18 -4.41 118.68 118.02 1iak s LEU 170 Ca 0.32 -0.56 0.06 0.00 -1.03 0.00 0.00 54.13 52.92 1iak s LEU 170 Cb 0.17 -1.55 0.74 0.00 0.03 0.00 0.00 46.19 45.58 1iak s LEU 170 CO 0.26 0.01 1.90 -0.33 0.23 0.00 0.00 176.35 178.42 1iak h GLU 171 N 7.88 0.75 -3.79 1.70 3.07 -1.86 -3.43 114.58 118.90 1iak h GLU 171 Ca -0.43 -0.05 -0.15 0.00 -0.50 0.00 0.00 59.36 58.23 1iak h GLU 171 Cb 1.15 -0.17 -0.20 0.00 -0.84 0.00 0.00 28.75 28.69 1iak h GLU 171 CO 0.62 0.50 -0.60 -1.21 -1.40 0.00 0.00 179.01 176.92 1iak s GLU 172 N -5.72 0.41 0.24 2.33 2.02 -1.26 -5.12 118.70 111.60 1iak s GLU 172 Ca -0.10 -0.56 -0.31 0.00 0.02 0.00 0.00 54.97 54.02 1iak s GLU 172 Cb 0.21 0.16 -0.13 0.00 0.10 0.00 0.00 34.13 34.47 1iak s GLU 172 CO 0.79 -0.09 1.39 -2.30 0.02 0.00 0.00 175.26 175.07 1iak n PRO 173 N 1.41 2.01 -3.70 0.39 -0.02 -1.26 -4.92 135.00 128.91 1iak n PRO 173 Ca -0.23 0.71 -0.35 0.00 -2.02 0.00 0.00 63.50 61.62 1iak n PRO 173 Cb 0.56 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.62 1iak n PRO 173 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1iak s VAL 174 N -0.14 5.25 -0.14 -1.45 1.01 -0.11 -4.90 120.40 119.92 1iak s VAL 174 Ca 0.67 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.96 1iak s VAL 174 Cb -0.65 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 1iak s VAL 174 CO 0.51 0.39 -0.14 -0.76 0.00 0.00 0.00 175.10 175.10 1iak s LEU 175 N -1.66 2.64 -0.33 3.92 1.43 -1.26 -0.94 118.68 122.49 1iak s LEU 175 Ca 0.27 -0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 52.94 1iak s LEU 175 Cb -0.14 -1.59 0.03 0.00 0.03 0.00 0.00 46.19 44.52 1iak s LEU 175 CO 0.15 0.14 0.09 -0.54 0.23 0.00 0.00 176.35 176.43 1iak s LYS 176 N 0.48 2.72 0.24 1.70 -0.14 -0.34 -4.92 119.74 119.48 1iak s LYS 176 Ca -0.10 -1.11 -0.22 0.00 -1.36 0.00 0.00 55.97 53.18 1iak s LYS 176 Cb -0.16 -3.43 -0.09 0.00 -1.68 0.00 0.00 37.83 32.48 1iak s LYS 176 CO 0.05 -0.61 0.79 -1.58 -0.76 0.00 0.00 175.35 173.23 1iak s HIS 177 N 1.42 3.70 -0.16 3.18 5.65 -1.26 -1.14 115.29 126.67 1iak s HIS 177 Ca -0.01 1.53 -0.10 0.00 0.25 0.00 0.00 55.06 56.73 1iak s HIS 177 Cb -0.19 -2.72 0.05 0.00 -1.18 0.00 0.00 32.58 28.54 1iak s HIS 177 CO 0.03 0.33 0.40 -0.46 -0.65 0.00 0.00 174.74 174.39 1iak s TRP 178 N -1.50 -0.56 -0.04 3.88 -0.00 0.20 -4.96 118.94 115.97 1iak s TRP 178 Ca 0.44 1.22 -0.05 0.00 -0.00 0.00 0.00 56.10 57.72 1iak s TRP 178 Cb -0.18 0.23 0.01 0.00 -0.00 0.00 0.00 33.47 33.53 1iak s TRP 178 CO 0.22 -0.31 0.13 -1.83 -0.00 0.00 0.00 176.95 175.16 1iak s GLU 179 N 1.10 0.20 1.42 5.86 -1.05 -1.26 -0.36 118.70 124.61 1iak s GLU 179 Ca -0.07 0.09 -0.24 0.00 -0.15 0.00 0.00 54.97 54.60 1iak s GLU 179 Cb -0.07 0.09 0.36 0.00 -0.44 0.00 0.00 34.13 34.07 1iak s GLU 179 CO -0.09 -0.03 0.96 -0.35 0.95 0.00 0.00 175.26 176.70 1iak n PRO 180 N 2.78 -4.37 0.00 -4.83 -0.04 -1.26 -5.06 135.00 122.21 1iak n PRO 180 Ca -0.14 -1.58 0.00 0.00 -0.04 0.00 0.00 63.50 61.74 1iak n PRO 180 Cb 0.59 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 1iak n PRO 180 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55