#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iq2 s ASP 25 N 0.00 7.06 -0.38 7.83 2.15 -1.26 -5.05 116.67 127.02 3iq2 s ASP 25 Ca 0.00 1.26 -0.17 0.00 0.43 0.00 0.00 52.55 54.07 3iq2 s ASP 25 Cb 0.00 -2.37 0.01 0.00 -0.30 0.00 0.00 42.92 40.25 3iq2 s ASP 25 CO 0.00 0.22 0.44 -0.70 -0.17 0.00 0.00 175.17 174.96 3iq2 s GLU 26 N -0.84 3.36 0.18 4.34 2.12 -1.26 -5.05 118.70 121.55 3iq2 s GLU 26 Ca 0.30 -0.51 -0.31 0.00 0.36 0.00 0.00 54.97 54.82 3iq2 s GLU 26 Cb -0.19 -3.88 -0.09 0.00 0.26 0.00 0.00 34.13 30.22 3iq2 s GLU 26 CO 0.19 -0.72 1.38 -1.25 -0.54 0.00 0.00 175.26 174.32 3iq2 s PRO 27 N 2.20 4.33 0.01 4.30 0.04 -1.26 -5.01 135.00 139.61 3iq2 s PRO 27 Ca 0.14 2.14 0.04 0.00 0.04 0.00 0.00 61.00 63.36 3iq2 s PRO 27 Cb -0.16 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 3iq2 s PRO 27 CO 0.13 -0.37 -0.10 0.34 0.04 0.00 0.00 177.00 177.05 3iq2 s ASP 28 N 0.64 4.41 0.10 6.66 2.15 -1.26 -5.03 116.67 124.33 3iq2 s ASP 28 Ca 0.61 -0.22 0.22 0.00 0.43 0.00 0.00 52.55 53.59 3iq2 s ASP 28 Cb -0.38 -0.95 0.89 0.00 -0.30 0.00 0.00 42.92 42.17 3iq2 s ASP 28 CO 0.36 0.27 1.69 0.18 -0.17 0.00 0.00 175.17 177.51 3iq2 n LEU 29 N 1.55 0.30 -2.37 -1.34 4.77 -1.26 -4.90 117.00 113.76 3iq2 n LEU 29 Ca -0.16 0.55 -0.18 0.00 -0.03 0.00 0.00 56.01 56.20 3iq2 n LEU 29 Cb 0.52 -0.49 0.02 0.00 -2.33 0.00 0.00 43.42 41.15 3iq2 n LEU 29 CO 0.30 -0.26 -0.04 0.29 -1.33 0.00 0.00 177.39 176.35 3iq2 n LYS 30 N -1.81 -3.51 -2.79 3.23 4.76 -1.26 -5.00 118.16 111.78 3iq2 n LYS 30 Ca 0.04 0.75 -0.35 0.00 -2.87 0.00 0.00 58.31 55.88 3iq2 n LYS 30 Cb 0.27 -5.22 -0.07 0.00 -1.84 0.00 0.00 35.03 28.17 3iq2 n LYS 30 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3iq2 s ASP 31 N -2.68 7.15 -0.02 4.39 1.01 -1.26 -5.07 116.67 120.18 3iq2 s ASP 31 Ca 0.20 1.78 0.02 0.00 0.71 0.00 0.00 52.55 55.26 3iq2 s ASP 31 Cb -0.09 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.28 3iq2 s ASP 31 CO 0.25 -0.21 -0.06 -0.76 0.21 0.00 0.00 175.17 174.60 3iq2 s LEU 32 N -2.56 1.74 -0.19 1.23 1.43 -1.26 -4.45 118.68 114.61 3iq2 s LEU 32 Ca 0.56 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 3iq2 s LEU 32 Cb -0.15 -0.40 0.02 0.00 0.03 0.00 0.00 46.19 45.69 3iq2 s LEU 32 CO 0.19 0.03 -0.17 -0.36 0.23 0.00 0.00 176.35 176.27 3iq2 s PHE 33 N 0.26 2.84 -0.06 0.29 0.08 0.36 -4.98 117.98 116.78 3iq2 s PHE 33 Ca -0.03 -1.61 0.05 0.00 0.12 0.00 0.00 56.93 55.46 3iq2 s PHE 33 Cb -0.08 -1.95 -0.01 0.00 -0.57 0.00 0.00 43.02 40.42 3iq2 s PHE 33 CO -0.00 -0.78 -0.22 0.42 -0.10 0.00 0.00 175.22 174.54 3iq2 s ILE 34 N 1.30 1.81 0.14 0.64 1.01 -1.26 -0.78 121.20 124.06 3iq2 s ILE 34 Ca 0.04 -0.92 0.11 0.00 0.00 0.00 0.00 60.65 59.88 3iq2 s ILE 34 Cb -0.14 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 3iq2 s ILE 34 CO -0.11 0.51 -0.25 0.42 0.00 0.00 0.00 174.94 175.50 3iq2 s THR 35 N -0.02 2.34 -0.16 2.92 -4.23 -0.19 -4.98 115.64 111.32 3iq2 s THR 35 Ca -0.06 -1.78 -0.01 0.00 -1.18 0.00 0.00 61.69 58.66 3iq2 s THR 35 Cb -0.13 -2.06 0.04 0.00 1.34 0.00 0.00 72.50 71.69 3iq2 s THR 35 CO 0.04 0.05 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.44 3iq2 s VAL 36 N -1.18 1.00 0.00 2.29 1.01 -1.26 -1.89 120.40 120.37 3iq2 s VAL 36 Ca 0.16 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.60 3iq2 s VAL 36 Cb -0.10 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.10 3iq2 s VAL 36 CO 0.07 0.13 0.00 -0.90 0.00 0.00 0.00 175.10 174.40 3iq2 n ASP 37 N 4.92 0.00 -3.98 3.32 5.75 -0.36 -4.91 116.55 121.28 3iq2 n ASP 37 Ca -0.11 -0.87 -0.41 0.00 -0.01 0.00 0.00 54.79 53.39 3iq2 n ASP 37 Cb 0.48 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.59 3iq2 n ASP 37 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 3iq2 n GLU 38 N 0.00 -0.57 -1.85 0.11 2.13 -1.26 0.01 120.64 119.21 3iq2 n GLU 38 Ca 0.00 0.24 -0.41 0.00 0.66 0.00 0.00 57.16 57.65 3iq2 n GLU 38 Cb 0.00 -2.69 -0.00 0.00 0.27 0.00 0.00 31.44 29.02 3iq2 n GLU 38 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3iq2 s PRO 39 N -6.83 4.14 0.05 5.31 0.04 -1.26 -3.99 135.00 132.47 3iq2 s PRO 39 Ca 0.41 2.52 0.02 0.00 0.04 0.00 0.00 61.00 63.99 3iq2 s PRO 39 Cb -0.21 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.31 3iq2 s PRO 39 CO 0.95 -0.49 -0.07 -1.21 0.04 0.00 0.00 177.00 176.22 3iq2 s GLU 40 N -2.00 0.56 -0.20 4.56 2.02 -0.04 -4.97 118.70 118.63 3iq2 s GLU 40 Ca 0.52 -0.88 -0.21 0.00 0.02 0.00 0.00 54.97 54.42 3iq2 s GLU 40 Cb -0.46 -0.18 -0.02 0.00 0.10 0.00 0.00 34.13 33.57 3iq2 s GLU 40 CO 0.61 0.01 0.65 -1.54 0.02 0.00 0.00 175.26 175.01 3iq2 s SER 41 N -1.94 6.70 -0.37 -0.19 1.04 -1.26 -0.80 113.70 116.88 3iq2 s SER 41 Ca -0.05 0.85 -0.12 0.00 0.48 0.00 0.00 55.95 57.11 3iq2 s SER 41 Cb -0.06 -2.36 0.01 0.00 0.10 0.00 0.00 66.02 63.72 3iq2 s SER 41 CO -0.02 -0.30 0.23 -2.28 0.98 0.00 0.00 173.24 171.86 3iq2 s HIS 42 N 2.02 3.23 -0.47 5.02 2.46 0.71 -4.96 115.29 123.30 3iq2 s HIS 42 Ca 0.29 -0.68 -0.13 0.00 0.47 0.00 0.00 55.06 55.01 3iq2 s HIS 42 Cb -0.16 -2.48 0.09 0.00 -0.13 0.00 0.00 32.58 29.91 3iq2 s HIS 42 CO 0.10 -0.56 0.36 0.08 -2.47 0.00 0.00 174.74 172.26 3iq2 s VAL 43 N 1.62 4.78 0.59 0.89 1.01 -1.26 -1.62 120.40 126.42 3iq2 s VAL 43 Ca 0.04 -1.33 0.03 0.00 0.00 0.00 0.00 61.98 60.72 3iq2 s VAL 43 Cb -0.19 -3.95 0.07 0.00 0.00 0.00 0.00 36.38 32.32 3iq2 s VAL 43 CO 0.08 -0.63 0.82 0.42 0.00 0.00 0.00 175.10 175.79 3iq2 s THR 44 N 1.53 2.45 0.53 3.92 -4.23 0.33 -4.99 115.64 115.17 3iq2 s THR 44 Ca 0.04 -0.75 0.18 0.00 -1.18 0.00 0.00 61.69 59.99 3iq2 s THR 44 Cb -0.25 -2.70 0.29 0.00 1.34 0.00 0.00 72.50 71.18 3iq2 s THR 44 CO 0.04 0.00 2.14 0.74 -0.54 0.00 0.00 174.62 177.00 3iq2 h THR 45 N -0.03 0.92 -0.02 3.99 2.02 -2.06 -3.20 112.91 114.55 3iq2 h THR 45 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.80 3iq2 h THR 45 Cb 1.28 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 3iq2 h THR 45 CO 0.45 0.00 0.00 2.30 0.37 0.00 0.00 175.52 178.64 3iq2 n ILE 46 N -4.45 0.07 -3.60 3.11 -5.35 -1.26 -5.04 119.36 102.84 3iq2 n ILE 46 Ca -0.01 -0.54 -0.08 0.00 -0.27 0.00 0.00 62.75 61.85 3iq2 n ILE 46 Cb 0.15 1.05 -0.05 0.00 -1.74 0.00 0.00 39.64 39.06 3iq2 n ILE 46 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3iq2 s GLU 47 N -0.43 0.44 -0.09 6.28 2.12 -1.21 -5.15 118.70 120.67 3iq2 s GLU 47 Ca 0.06 0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.58 3iq2 s GLU 47 Cb 0.04 0.21 -0.00 0.00 0.26 0.00 0.00 34.13 34.64 3iq2 s GLU 47 CO 0.06 -0.13 -0.24 0.99 -0.54 0.00 0.00 175.26 175.40 3iq2 s THR 48 N -0.93 2.03 0.10 -1.70 2.01 -1.26 -0.52 115.64 115.37 3iq2 s THR 48 Ca 0.01 -1.01 -0.09 0.00 0.31 0.00 0.00 61.69 60.92 3iq2 s THR 48 Cb -0.01 -1.75 -0.00 0.00 0.01 0.00 0.00 72.50 70.75 3iq2 s THR 48 CO -0.02 0.55 0.21 0.72 -0.69 0.00 0.00 174.62 175.39 3iq2 s PHE 49 N 0.29 0.19 -0.00 4.92 -0.12 -0.64 -4.98 117.98 117.64 3iq2 s PHE 49 Ca -0.17 -0.61 -0.17 0.00 -0.05 0.00 0.00 56.93 55.93 3iq2 s PHE 49 Cb -0.17 -0.06 -0.06 0.00 -0.63 0.00 0.00 43.02 42.10 3iq2 s PHE 49 CO 0.08 -0.57 0.48 0.42 -0.05 0.00 0.00 175.22 175.58 3iq2 s ILE 50 N -3.88 4.97 0.22 -4.49 -1.09 -1.26 -0.21 121.20 115.46 3iq2 s ILE 50 Ca 0.07 1.00 0.10 0.00 -2.23 0.00 0.00 60.65 59.59 3iq2 s ILE 50 Cb 0.05 -3.80 -0.05 0.00 -1.58 0.00 0.00 42.46 37.08 3iq2 s ILE 50 CO -0.09 0.51 -0.19 0.42 -1.23 0.00 0.00 174.94 174.35 3iq2 s THR 51 N -0.68 2.16 -0.05 2.92 -4.23 0.02 -4.32 115.64 111.45 3iq2 s THR 51 Ca 0.26 -2.17 0.06 0.00 -1.18 0.00 0.00 61.69 58.66 3iq2 s THR 51 Cb -0.17 -2.10 -0.01 0.00 1.34 0.00 0.00 72.50 71.56 3iq2 s THR 51 CO 0.15 -0.35 -0.22 -0.31 -0.54 0.00 0.00 174.62 173.34 3iq2 s TYR 52 N -2.29 2.17 -0.20 3.99 2.02 -0.20 -0.86 117.35 121.98 3iq2 s TYR 52 Ca 0.23 -0.60 -0.28 0.00 -0.37 0.00 0.00 57.07 56.05 3iq2 s TYR 52 Cb -0.05 -1.43 -0.00 0.00 -0.40 0.00 0.00 41.96 40.08 3iq2 s TYR 52 CO 0.10 -0.17 0.96 0.50 -1.57 0.00 0.00 175.55 175.37 3iq2 s ARG 53 N -0.17 4.27 -0.23 -0.62 3.52 0.10 -1.72 118.95 124.11 3iq2 s ARG 53 Ca -0.02 1.23 -0.05 0.00 -0.13 0.00 0.00 55.73 56.77 3iq2 s ARG 53 Cb -0.12 -3.62 -0.01 0.00 -1.56 0.00 0.00 34.95 29.64 3iq2 s ARG 53 CO 0.02 -0.51 -0.02 0.42 -0.81 0.00 0.00 175.30 174.40 3iq2 s ILE 54 N 2.79 3.55 -0.18 4.11 1.01 0.30 -1.23 121.20 131.56 3iq2 s ILE 54 Ca 0.42 -0.44 -0.02 0.00 0.00 0.00 0.00 60.65 60.61 3iq2 s ILE 54 Cb -0.16 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.68 3iq2 s ILE 54 CO 0.09 0.40 -0.10 -0.63 0.00 0.00 0.00 174.94 174.69 3iq2 s ILE 55 N 1.50 3.02 -0.12 2.92 1.01 -0.79 -0.97 121.20 127.76 3iq2 s ILE 55 Ca 0.06 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.10 3iq2 s ILE 55 Cb -0.14 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.01 3iq2 s ILE 55 CO -0.02 0.48 -0.22 -0.89 0.00 0.00 0.00 174.94 174.30 3iq2 s THR 56 N 1.00 2.16 0.06 2.92 2.01 -0.30 -1.02 115.64 122.47 3iq2 s THR 56 Ca -0.01 -0.96 0.08 0.00 0.31 0.00 0.00 61.69 61.11 3iq2 s THR 56 Cb -0.15 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 3iq2 s THR 56 CO -0.01 0.55 -0.23 -0.54 -0.69 0.00 0.00 174.62 173.69 3iq2 s LYS 57 N 0.59 1.49 0.00 4.92 1.02 0.04 -1.47 119.74 126.32 3iq2 s LYS 57 Ca -0.12 -1.07 0.22 0.00 0.02 0.00 0.00 55.97 55.01 3iq2 s LYS 57 Cb -0.17 -1.69 0.05 0.00 -0.52 0.00 0.00 37.83 35.50 3iq2 s LYS 57 CO 0.03 0.42 1.09 0.25 -0.92 0.00 0.00 175.35 176.23 3iq2 n THR 58 N 1.62 0.00 -3.71 2.17 -2.24 -0.74 -0.49 114.28 110.89 3iq2 n THR 58 Ca -0.17 -0.34 -0.13 0.00 -2.27 0.00 0.00 64.05 61.14 3iq2 n THR 58 Cb 0.53 1.31 -0.07 0.00 -2.10 0.00 0.00 70.33 70.00 3iq2 n THR 58 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3iq2 s SER 59 N -2.22 -0.23 0.00 3.42 0.15 -1.26 -4.50 113.70 109.06 3iq2 s SER 59 Ca 0.20 0.01 0.29 0.00 0.70 0.00 0.00 55.95 57.15 3iq2 s SER 59 Cb 0.18 0.38 1.28 0.00 -1.71 0.00 0.00 66.02 66.14 3iq2 s SER 59 CO 0.46 -0.59 1.90 0.54 1.20 0.00 0.00 173.24 176.75 3iq2 n ARG 60 N 0.76 0.58 -2.15 5.44 5.12 -1.26 -4.94 116.66 120.21 3iq2 n ARG 60 Ca -0.19 -0.16 -0.27 0.00 -1.93 0.00 0.00 57.85 55.29 3iq2 n ARG 60 Cb 0.58 -1.50 0.06 0.00 -1.16 0.00 0.00 32.46 30.44 3iq2 n ARG 60 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3iq2 s GLY 61 N -2.53 1.63 0.18 -0.13 0.00 -1.26 -5.02 107.32 100.20 3iq2 s GLY 61 Ca 0.28 -0.69 0.01 0.00 0.00 0.00 0.00 44.72 44.31 3iq2 s GLY 61 CO 0.48 -0.32 1.43 -2.09 0.00 0.00 0.00 173.10 172.61 3iq2 h GLU 62 N -0.55 0.30 -5.81 2.90 4.81 -2.03 -3.48 114.58 110.72 3iq2 h GLU 62 Ca -0.45 -0.27 -0.59 0.00 -0.13 0.00 0.00 59.36 57.92 3iq2 h GLU 62 Cb 1.29 0.06 -0.14 0.00 0.63 0.00 0.00 28.75 30.59 3iq2 h GLU 62 CO 0.62 0.93 -0.67 -0.06 -0.73 0.00 0.00 179.01 179.10 3iq2 s PHE 63 N -3.49 2.31 -1.21 0.92 0.08 -1.26 -4.83 117.98 110.50 3iq2 s PHE 63 Ca -0.04 -0.57 -0.05 0.00 0.12 0.00 0.00 56.93 56.39 3iq2 s PHE 63 Cb 0.11 -1.36 -0.02 0.00 -0.57 0.00 0.00 43.02 41.18 3iq2 s PHE 63 CO 0.83 0.50 0.81 -3.47 -0.10 0.00 0.00 175.22 173.78 3iq2 n ASP 64 N -0.77 -3.04 -3.52 1.36 2.03 -1.26 -4.96 116.55 106.39 3iq2 n ASP 64 Ca -0.05 -0.80 -0.09 0.00 0.52 0.00 0.00 54.79 54.38 3iq2 n ASP 64 Cb 0.64 -4.35 -0.01 0.00 -0.72 0.00 0.00 41.12 36.67 3iq2 n ASP 64 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3iq2 s SER 65 N -4.03 -0.03 0.00 1.67 1.04 -1.26 -4.97 113.70 106.12 3iq2 s SER 65 Ca 0.17 -0.92 0.04 0.00 0.48 0.00 0.00 55.95 55.72 3iq2 s SER 65 Cb -0.04 0.74 -0.03 0.00 0.10 0.00 0.00 66.02 66.79 3iq2 s SER 65 CO 0.79 -1.42 -0.11 -0.55 0.98 0.00 0.00 173.24 172.93 3iq2 s SER 66 N -3.02 4.29 -0.08 7.02 0.15 -1.26 -4.99 113.70 115.80 3iq2 s SER 66 Ca 0.16 -0.23 -0.04 0.00 0.70 0.00 0.00 55.95 56.55 3iq2 s SER 66 Cb -0.04 -0.91 0.04 0.00 -1.71 0.00 0.00 66.02 63.40 3iq2 s SER 66 CO 0.10 0.29 0.19 -0.70 1.20 0.00 0.00 173.24 174.32 3iq2 s GLU 67 N -1.28 0.13 -0.01 5.44 2.12 -1.26 -1.80 118.70 122.05 3iq2 s GLU 67 Ca 0.15 0.46 0.03 0.00 0.36 0.00 0.00 54.97 55.97 3iq2 s GLU 67 Cb -0.11 -0.16 -0.01 0.00 0.26 0.00 0.00 34.13 34.12 3iq2 s GLU 67 CO 0.05 -0.18 -0.09 -0.06 -0.54 0.00 0.00 175.26 174.44 3iq2 s PHE 68 N 1.34 0.83 -0.16 5.30 0.08 -0.54 -4.99 117.98 119.83 3iq2 s PHE 68 Ca -0.08 -0.16 0.01 0.00 0.12 0.00 0.00 56.93 56.81 3iq2 s PHE 68 Cb -0.11 -0.54 0.00 0.00 -0.57 0.00 0.00 43.02 41.80 3iq2 s PHE 68 CO -0.07 -0.02 -0.17 -2.00 -0.10 0.00 0.00 175.22 172.86 3iq2 s GLU 69 N -0.17 3.14 0.23 0.44 2.12 -1.26 -1.15 118.70 122.04 3iq2 s GLU 69 Ca 0.03 -0.78 0.02 0.00 0.36 0.00 0.00 54.97 54.60 3iq2 s GLU 69 Cb -0.04 -2.60 -0.05 0.00 0.26 0.00 0.00 34.13 31.70 3iq2 s GLU 69 CO -0.00 -0.06 0.05 0.14 -0.54 0.00 0.00 175.26 174.85 3iq2 s VAL 70 N 0.97 0.68 -0.07 3.70 -7.23 -0.14 -0.72 120.40 117.60 3iq2 s VAL 70 Ca -0.03 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.19 3iq2 s VAL 70 Cb -0.15 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.38 3iq2 s VAL 70 CO -0.03 -0.21 -0.18 -0.13 -0.31 0.00 0.00 175.10 174.23 3iq2 s ARG 71 N -3.96 2.17 0.00 4.82 0.52 -1.26 -0.53 118.95 120.71 3iq2 s ARG 71 Ca 0.32 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.87 3iq2 s ARG 71 Cb 0.07 -1.77 -0.00 0.00 0.52 0.00 0.00 34.95 33.76 3iq2 s ARG 71 CO 0.10 0.18 -0.00 1.03 0.02 0.00 0.00 175.30 176.63 3iq2 s ARG 72 N 0.26 0.03 0.44 3.54 1.81 -0.70 -4.92 118.95 119.42 3iq2 s ARG 72 Ca -0.11 -0.06 -0.01 0.00 -1.72 0.00 0.00 55.73 53.84 3iq2 s ARG 72 Cb -0.15 0.01 -0.01 0.00 -0.45 0.00 0.00 34.95 34.35 3iq2 s ARG 72 CO 0.05 -0.00 0.68 -0.98 -0.68 0.00 0.00 175.30 174.36 3iq2 s ARG 73 N -0.13 3.19 0.30 3.54 1.70 -1.26 -1.03 118.95 125.26 3iq2 s ARG 73 Ca -0.01 -0.34 0.05 0.00 -0.47 0.00 0.00 55.73 54.95 3iq2 s ARG 73 Cb -0.01 -2.54 0.70 0.00 -0.57 0.00 0.00 34.95 32.53 3iq2 s ARG 73 CO -0.00 -0.21 1.80 -0.92 -1.08 0.00 0.00 175.30 174.89 3iq2 h TYR 74 N 0.41 1.08 -0.02 5.89 3.20 -2.00 0.58 116.97 126.11 3iq2 h TYR 74 Ca -0.47 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.43 3iq2 h TYR 74 Cb 1.24 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 39.18 3iq2 h TYR 74 CO 0.48 0.30 -0.00 1.96 -1.64 0.00 0.00 178.16 179.25 3iq2 h GLN 75 N 0.82 0.02 -0.42 1.82 1.08 -1.94 -0.98 115.11 115.51 3iq2 h GLN 75 Ca 0.55 -0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.64 3iq2 h GLN 75 Cb 0.79 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.20 3iq2 h GLN 75 CO -0.34 0.03 -0.20 -0.44 -0.95 0.00 0.00 178.83 176.93 3iq2 h ASP 76 N 0.02 0.83 -0.31 1.46 3.32 -1.26 -1.32 116.42 119.16 3iq2 h ASP 76 Ca 0.01 -0.29 -0.10 0.00 0.02 0.00 0.00 57.03 56.67 3iq2 h ASP 76 Cb 0.03 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3iq2 h ASP 76 CO 0.00 1.01 -0.14 -0.26 -1.72 0.00 0.00 179.24 178.13 3iq2 h PHE 77 N 0.72 0.83 -0.50 4.55 0.04 -1.10 -2.13 116.94 119.35 3iq2 h PHE 77 Ca 0.10 -0.16 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 3iq2 h PHE 77 Cb 0.72 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 3iq2 h PHE 77 CO 0.04 0.85 0.05 -0.07 -0.60 0.00 0.00 178.31 178.57 3iq2 h LEU 78 N 0.68 0.76 -0.08 1.54 3.38 -0.95 -0.26 115.31 120.38 3iq2 h LEU 78 Ca 0.11 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3iq2 h LEU 78 Cb 0.62 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3iq2 h LEU 78 CO 0.04 0.80 -0.01 -0.25 0.09 0.00 0.00 178.44 179.11 3iq2 h TRP 79 N 0.76 -0.02 -0.32 1.13 7.01 -1.04 -1.90 115.95 121.57 3iq2 h TRP 79 Ca 0.16 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.17 3iq2 h TRP 79 Cb 0.39 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.46 3iq2 h TRP 79 CO 0.02 -0.02 0.20 1.25 -2.79 0.00 0.00 178.44 177.10 3iq2 h LEU 80 N 0.02 0.34 -0.79 0.65 5.85 -1.01 -1.49 115.31 118.88 3iq2 h LEU 80 Ca 0.04 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.83 3iq2 h LEU 80 Cb 0.05 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 3iq2 h LEU 80 CO -0.08 0.25 0.46 0.50 -0.34 0.00 0.00 178.44 179.23 3iq2 h LYS 81 N 0.41 0.77 -0.56 1.25 3.64 -0.89 -0.51 116.57 120.69 3iq2 h LYS 81 Ca 0.12 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 3iq2 h LYS 81 Cb -0.03 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 3iq2 h LYS 81 CO -0.03 0.51 0.07 0.78 -2.27 0.00 0.00 179.45 178.50 3iq2 h GLY 82 N 0.79 1.02 0.99 5.01 0.00 -0.81 -1.23 103.07 108.85 3iq2 h GLY 82 Ca 0.37 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3iq2 h GLY 82 CO -0.22 0.65 0.35 0.50 0.00 0.00 0.00 176.54 177.82 3iq2 h LYS 83 N 0.84 0.82 -0.39 4.80 1.79 -0.46 -1.55 116.57 122.41 3iq2 h LYS 83 Ca 0.17 -0.08 -0.12 0.00 -2.18 0.00 0.00 60.65 58.44 3iq2 h LYS 83 Cb 0.45 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 3iq2 h LYS 83 CO 0.02 0.61 -0.24 -0.07 -1.08 0.00 0.00 179.45 178.69 3iq2 h LEU 84 N 0.81 0.81 -0.43 2.94 3.38 -0.80 -2.17 115.31 119.84 3iq2 h LEU 84 Ca 0.21 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3iq2 h LEU 84 Cb 0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3iq2 h LEU 84 CO -0.04 1.01 0.24 -0.33 0.09 0.00 0.00 178.44 179.41 3iq2 h GLU 85 N 0.69 0.61 -0.65 1.13 5.08 -0.98 -1.44 114.58 119.01 3iq2 h GLU 85 Ca 0.09 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3iq2 h GLU 85 Cb 0.75 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 3iq2 h GLU 85 CO 0.06 0.49 0.21 0.93 -1.00 0.00 0.00 179.01 179.70 3iq2 h GLU 86 N 0.56 0.99 0.00 2.33 5.08 -1.17 -2.64 114.58 119.73 3iq2 h GLU 86 Ca 0.15 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3iq2 h GLU 86 Cb 0.06 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3iq2 h GLU 86 CO -0.02 0.84 -0.30 0.00 -1.00 0.00 0.00 179.01 178.53 3iq2 h ALA 87 N 1.27 0.87 -2.05 3.43 0.00 -1.21 -3.38 119.26 118.19 3iq2 h ALA 87 Ca 0.21 -0.27 -0.57 0.00 0.00 0.00 0.00 54.91 54.28 3iq2 h ALA 87 Cb 0.26 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 17.61 3iq2 h ALA 87 CO -0.01 0.37 -0.97 0.72 0.00 0.00 0.00 179.25 179.36 3iq2 n HIS 88 N -3.26 0.70 0.31 0.00 8.25 -0.56 -4.98 115.22 115.68 3iq2 n HIS 88 Ca 0.02 -3.72 0.16 0.00 -0.26 0.00 0.00 57.72 53.92 3iq2 n HIS 88 Cb 0.57 -0.41 0.70 0.00 1.12 0.00 0.00 29.99 31.98 3iq2 n HIS 88 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3iq2 h PRO 89 N 4.04 0.00 -0.20 -0.41 0.13 -1.67 -2.08 132.00 131.81 3iq2 h PRO 89 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3iq2 h PRO 89 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3iq2 h PRO 89 CO 0.56 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.58 3iq2 n THR 90 N -2.80 0.24 -3.66 1.56 -2.24 -1.26 -4.92 114.28 101.21 3iq2 n THR 90 Ca 0.00 -0.51 -0.29 0.00 -2.27 0.00 0.00 64.05 60.98 3iq2 n THR 90 Cb 0.23 0.86 -0.04 0.00 -2.10 0.00 0.00 70.33 69.29 3iq2 n THR 90 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3iq2 s LEU 91 N -1.69 4.23 -0.38 3.22 1.43 -0.78 -5.07 118.68 119.64 3iq2 s LEU 91 Ca 0.34 0.51 -0.18 0.00 -1.03 0.00 0.00 54.13 53.78 3iq2 s LEU 91 Cb 0.20 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 43.17 3iq2 s LEU 91 CO 0.30 -0.01 0.49 -0.63 0.23 0.00 0.00 176.35 176.73 3iq2 s ILE 92 N -1.79 5.03 0.37 -0.59 1.01 -1.26 -5.01 121.20 118.95 3iq2 s ILE 92 Ca 0.40 0.12 -0.25 0.00 0.00 0.00 0.00 60.65 60.92 3iq2 s ILE 92 Cb -0.12 -3.99 -0.09 0.00 0.01 0.00 0.00 42.46 38.27 3iq2 s ILE 92 CO 0.27 -0.29 1.03 -0.63 0.00 0.00 0.00 174.94 175.32 3iq2 s ILE 93 N 2.34 3.82 0.37 2.92 -1.09 -1.26 -4.95 121.20 123.35 3iq2 s ILE 93 Ca 0.17 1.47 -0.26 0.00 -2.23 0.00 0.00 60.65 59.79 3iq2 s ILE 93 Cb -0.16 -3.79 -0.12 0.00 -1.58 0.00 0.00 42.46 36.81 3iq2 s ILE 93 CO 0.14 0.08 1.11 -2.65 -1.23 0.00 0.00 174.94 172.39 3iq2 n PRO 94 N 0.23 1.61 -2.12 2.79 -0.02 -1.26 -4.90 135.00 131.33 3iq2 n PRO 94 Ca 0.04 0.57 -0.32 0.00 -2.02 0.00 0.00 63.50 61.77 3iq2 n PRO 94 Cb 0.49 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.86 3iq2 n PRO 94 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3iq2 s PRO 95 N -1.89 3.74 -0.45 0.52 0.04 -1.26 -5.03 135.00 130.67 3iq2 s PRO 95 Ca 0.60 0.86 0.07 0.00 0.04 0.00 0.00 61.00 62.57 3iq2 s PRO 95 Cb -0.59 -2.10 0.23 0.00 0.04 0.00 0.00 34.50 32.07 3iq2 s PRO 95 CO 0.59 -0.45 0.51 1.28 0.04 0.00 0.00 177.00 178.97 3iq2 n LEU 96 N -2.18 0.68 -4.77 -3.56 4.77 -1.26 -4.91 117.00 105.76 3iq2 n LEU 96 Ca 0.06 -4.75 -0.38 0.00 -0.03 0.00 0.00 56.01 50.92 3iq2 n LEU 96 Cb 0.54 0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.97 3iq2 n LEU 96 CO 0.52 2.00 0.84 -2.16 -1.33 0.00 0.00 177.39 177.26 3iq2 s PRO 97 N -1.08 3.93 -0.04 3.23 0.04 -1.26 -5.05 135.00 134.77 3iq2 s PRO 97 Ca 0.35 1.82 -0.03 0.00 0.04 0.00 0.00 61.00 63.17 3iq2 s PRO 97 Cb 0.12 -2.56 0.01 0.00 0.04 0.00 0.00 34.50 32.11 3iq2 s PRO 97 CO -0.12 -0.42 0.09 -1.83 0.04 0.00 0.00 177.00 174.76 3iq2 s GLU 98 N -2.47 0.11 -0.23 4.56 -1.05 -1.26 -5.14 118.70 113.21 3iq2 s GLU 98 Ca 0.60 0.14 -0.10 0.00 -0.15 0.00 0.00 54.97 55.46 3iq2 s GLU 98 Cb -0.30 0.04 -0.05 0.00 -0.44 0.00 0.00 34.13 33.38 3iq2 s GLU 98 CO 0.37 -0.02 0.14 0.21 0.95 0.00 0.00 175.26 176.91 3iq2 s LYS 99 N 0.11 4.02 -0.12 -4.83 2.20 -1.26 -5.35 119.74 114.51 3iq2 s LYS 99 Ca -0.01 -0.30 -0.19 0.00 -0.36 0.00 0.00 55.97 55.12 3iq2 s LYS 99 Cb -0.01 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 3iq2 s LYS 99 CO -0.00 0.07 0.51 -0.59 -0.36 0.00 0.00 175.35 174.97 3iq2 s PHE 100 N 1.02 3.51 -0.11 4.03 -0.12 -1.26 -5.21 117.98 119.84 3iq2 s PHE 100 Ca 0.07 0.93 0.04 0.00 -0.05 0.00 0.00 56.93 57.92 3iq2 s PHE 100 Cb -0.14 -2.59 -0.05 0.00 -0.63 0.00 0.00 43.02 39.61 3iq2 s PHE 100 CO 0.04 0.14 0.14 -1.33 -0.05 0.00 0.00 175.22 174.16 3iq2 n MET 105 N 3.75 3.19 -0.09 1.99 2.81 -1.26 -5.26 117.12 122.24 3iq2 n MET 105 Ca -0.06 -0.02 -0.22 0.00 -1.81 0.00 0.00 57.70 55.59 3iq2 n MET 105 Cb 0.51 -0.88 -0.12 0.00 -0.71 0.00 0.00 33.22 32.03 3iq2 n MET 105 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 3iq2 n VAL 106 N -1.34 1.58 -0.09 2.03 3.14 -1.26 -4.54 118.33 117.85 3iq2 n VAL 106 Ca 0.00 -0.47 0.14 0.00 -2.96 0.00 0.00 64.34 61.05 3iq2 n VAL 106 Cb 0.09 -1.70 0.53 0.00 -1.06 0.00 0.00 33.84 31.69 3iq2 n VAL 106 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 3iq2 h GLU 107 N -0.36 0.34 0.00 1.45 4.57 -2.07 -1.09 114.58 117.42 3iq2 h GLU 107 Ca -0.53 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.62 3iq2 h GLU 107 Cb 1.78 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 30.29 3iq2 h GLU 107 CO -0.14 0.22 -0.03 0.07 -1.18 0.00 0.00 179.01 177.96 3iq2 h ARG 108 N 0.35 0.00 -0.35 1.92 0.11 -2.01 -1.52 114.38 112.88 3iq2 h ARG 108 Ca 0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.38 3iq2 h ARG 108 Cb 0.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.77 3iq2 h ARG 108 CO -0.08 0.03 0.00 1.19 0.10 0.00 0.00 179.97 181.21 3iq2 n PHE 109 N -3.42 0.46 -2.47 4.08 3.72 -0.42 -4.78 117.46 114.64 3iq2 n PHE 109 Ca -0.02 -0.45 -0.39 0.00 -0.05 0.00 0.00 57.45 56.54 3iq2 n PHE 109 Cb 0.14 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.62 3iq2 n PHE 109 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3iq2 s ASN 110 N -1.00 6.97 0.15 4.37 3.84 -0.57 -4.91 114.94 123.78 3iq2 s ASN 110 Ca 0.24 2.21 -0.15 0.00 0.21 0.00 0.00 52.86 55.37 3iq2 s ASN 110 Cb 0.13 -2.61 0.02 0.00 -0.55 0.00 0.00 41.25 38.24 3iq2 s ASN 110 CO 0.17 -0.35 1.75 -0.78 -2.79 0.00 0.00 177.10 175.11 3iq2 h ASP 111 N 3.18 0.56 -0.76 -4.21 3.58 -1.94 -0.64 116.42 116.18 3iq2 h ASP 111 Ca -0.48 -0.09 0.01 0.00 0.42 0.00 0.00 57.03 56.89 3iq2 h ASP 111 Cb 1.22 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 42.09 3iq2 h ASP 111 CO 0.65 0.49 0.50 -0.78 -2.88 0.00 0.00 179.24 177.22 3iq2 h ASP 112 N 0.58 0.86 0.05 2.28 3.58 -1.95 -0.12 116.42 121.70 3iq2 h ASP 112 Ca 0.16 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.59 3iq2 h ASP 112 Cb 0.06 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 3iq2 h ASP 112 CO -0.02 0.62 -0.05 0.15 -2.88 0.00 0.00 179.24 177.05 3iq2 h PHE 113 N 1.02 -0.13 -0.40 0.28 3.57 -1.67 -0.14 116.94 119.46 3iq2 h PHE 113 Ca 0.28 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 3iq2 h PHE 113 Cb -0.10 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3iq2 h PHE 113 CO -0.02 -0.08 0.07 0.82 -2.23 0.00 0.00 178.31 176.86 3iq2 h ILE 114 N -0.12 1.24 -0.27 1.41 2.04 -0.99 -1.53 117.51 119.30 3iq2 h ILE 114 Ca 0.00 -0.87 -0.13 0.00 1.00 0.00 0.00 64.86 64.86 3iq2 h ILE 114 Cb 0.12 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3iq2 h ILE 114 CO -0.02 0.30 -0.39 -0.08 0.00 0.00 0.00 178.15 177.97 3iq2 h GLU 115 N 0.52 0.62 -0.42 2.37 4.57 -0.91 0.17 114.58 121.50 3iq2 h GLU 115 Ca 0.12 -0.31 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 3iq2 h GLU 115 Cb 0.37 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 3iq2 h GLU 115 CO 0.01 0.90 0.22 1.15 -1.18 0.00 0.00 179.01 180.11 3iq2 h THR 116 N 0.51 1.16 -0.25 0.32 2.02 -0.90 -1.75 112.91 114.02 3iq2 h THR 116 Ca 0.05 -0.44 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 3iq2 h THR 116 Cb 0.90 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 3iq2 h THR 116 CO 0.08 0.17 0.01 -0.09 0.37 0.00 0.00 175.52 176.06 3iq2 h ARG 117 N 0.54 0.44 -0.39 6.66 2.43 -1.00 -1.86 114.38 121.20 3iq2 h ARG 117 Ca 0.15 -0.14 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 3iq2 h ARG 117 Cb 0.08 -0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 29.50 3iq2 h ARG 117 CO -0.02 0.61 -0.21 -0.09 -1.51 0.00 0.00 179.97 178.75 3iq2 h ARG 118 N 0.22 -0.13 -0.73 0.20 2.43 -0.42 0.27 114.38 116.21 3iq2 h ARG 118 Ca 0.07 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.30 3iq2 h ARG 118 Cb 0.40 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.93 3iq2 h ARG 118 CO 0.01 -0.09 0.44 0.87 -1.51 0.00 0.00 179.97 179.69 3iq2 h LYS 119 N -0.14 0.79 -0.48 0.20 1.57 -1.21 -0.96 116.57 116.34 3iq2 h LYS 119 Ca 0.19 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 3iq2 h LYS 119 Cb 0.44 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3iq2 h LYS 119 CO -0.48 0.52 -0.12 0.00 -0.57 0.00 0.00 179.45 178.81 3iq2 h ALA 120 N 1.35 0.89 -0.49 3.86 0.00 -0.43 -1.46 119.26 122.98 3iq2 h ALA 120 Ca 0.32 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3iq2 h ALA 120 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3iq2 h ALA 120 CO -0.16 0.64 -0.19 -0.07 0.00 0.00 0.00 179.25 179.47 3iq2 h LEU 121 N 0.80 0.99 -0.18 0.00 3.38 -0.20 -0.68 115.31 119.42 3iq2 h LEU 121 Ca 0.13 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3iq2 h LEU 121 Cb 0.64 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3iq2 h LEU 121 CO 0.04 1.15 0.12 -0.74 0.09 0.00 0.00 178.44 179.10 3iq2 h HIS 122 N 0.85 0.23 -0.46 1.13 2.76 -0.98 -1.03 115.15 117.64 3iq2 h HIS 122 Ca 0.12 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 3iq2 h HIS 122 Cb 0.75 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.62 3iq2 h HIS 122 CO 0.05 0.14 0.30 -0.22 -1.30 0.00 0.00 177.93 176.90 3iq2 h LYS 123 N 0.25 0.61 0.10 5.26 3.64 -1.07 -0.98 116.57 124.37 3iq2 h LYS 123 Ca 0.07 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3iq2 h LYS 123 Cb -0.02 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 3iq2 h LYS 123 CO -0.02 0.42 -0.22 0.35 -2.27 0.00 0.00 179.45 177.72 3iq2 h PHE 124 N 0.62 -0.58 -0.79 1.91 3.57 -0.98 -0.60 116.94 120.09 3iq2 h PHE 124 Ca 0.17 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3iq2 h PHE 124 Cb -0.05 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 3iq2 h PHE 124 CO -0.04 -0.31 0.42 -0.07 -2.23 0.00 0.00 178.31 176.08 3iq2 h LEU 125 N -0.40 0.98 -0.86 0.59 3.38 -1.04 -1.54 115.31 116.41 3iq2 h LEU 125 Ca 0.03 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3iq2 h LEU 125 Cb 0.43 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3iq2 h LEU 125 CO -0.13 0.79 0.01 0.78 0.09 0.00 0.00 178.44 179.98 3iq2 h ASN 126 N 1.10 0.82 -0.64 -0.43 2.35 -0.93 -0.43 115.58 117.43 3iq2 h ASN 126 Ca 0.28 -0.20 -0.09 0.00 -0.55 0.00 0.00 56.30 55.73 3iq2 h ASN 126 Cb 0.04 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3iq2 h ASN 126 CO -0.04 0.88 0.04 0.03 -1.65 0.00 0.00 177.43 176.69 3iq2 h ARG 127 N 0.80 1.10 -0.32 0.81 3.08 -0.47 -1.14 114.38 118.24 3iq2 h ARG 127 Ca 0.15 -0.33 -0.10 0.00 0.07 0.00 0.00 59.98 59.77 3iq2 h ARG 127 Cb 0.46 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3iq2 h ARG 127 CO 0.02 1.04 -0.20 0.82 -1.07 0.00 0.00 179.97 180.58 3iq2 h ILE 128 N 1.01 1.29 -0.37 2.04 2.04 -1.02 -2.88 117.51 119.63 3iq2 h ILE 128 Ca 0.19 -1.33 -0.06 0.00 1.00 0.00 0.00 64.86 64.66 3iq2 h ILE 128 Cb 0.52 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 3iq2 h ILE 128 CO 0.02 0.43 -0.02 0.00 0.00 0.00 0.00 178.15 178.59 3iq2 h ALA 129 N 0.75 1.29 0.00 1.87 0.00 -0.82 -2.39 119.26 119.96 3iq2 h ALA 129 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3iq2 h ALA 129 Cb 0.75 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3iq2 h ALA 129 CO 0.06 0.48 -0.17 -0.25 0.00 0.00 0.00 179.25 179.37 3iq2 n ASP 130 N -4.25 0.19 -4.71 0.00 8.00 -0.45 -4.68 116.55 110.65 3iq2 n ASP 130 Ca 0.02 0.26 -0.39 0.00 0.71 0.00 0.00 54.79 55.38 3iq2 n ASP 130 Cb 0.27 -0.26 -0.05 0.00 -0.02 0.00 0.00 41.12 41.06 3iq2 n ASP 130 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3iq2 s HIS 131 N -3.01 3.53 0.03 1.24 2.46 -0.91 -4.97 115.29 113.66 3iq2 s HIS 131 Ca 0.13 1.13 0.31 0.00 0.47 0.00 0.00 55.06 57.09 3iq2 s HIS 131 Cb 0.18 -2.75 1.51 0.00 -0.13 0.00 0.00 32.58 31.39 3iq2 s HIS 131 CO 0.59 0.06 1.93 -1.00 -2.47 0.00 0.00 174.74 173.85 3iq2 h PRO 132 N 6.87 0.00 0.00 2.88 0.13 -1.89 -1.93 132.00 138.06 3iq2 h PRO 132 Ca -0.39 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.49 3iq2 h PRO 132 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 3iq2 h PRO 132 CO 0.76 0.00 -1.92 0.25 -0.23 0.00 0.00 178.00 176.86 3iq2 n THR 133 N -2.64 0.93 0.19 1.56 -2.24 -1.26 -4.66 114.28 106.16 3iq2 n THR 133 Ca -0.01 -0.35 0.03 0.00 -2.27 0.00 0.00 64.05 61.46 3iq2 n THR 133 Cb 0.14 -1.12 0.39 0.00 -2.10 0.00 0.00 70.33 67.65 3iq2 n THR 133 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3iq2 h LEU 134 N -0.04 0.00 -2.11 3.22 3.38 -1.78 -2.89 115.31 115.09 3iq2 h LEU 134 Ca -0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 3iq2 h LEU 134 Cb 1.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.30 3iq2 h LEU 134 CO -0.07 0.34 -0.06 0.00 0.09 0.00 0.00 178.44 178.74 3iq2 h THR 135 N 0.00 0.28 -0.54 0.22 1.03 -1.26 -1.88 112.91 110.76 3iq2 h THR 135 Ca -0.00 -0.37 0.00 0.00 -0.01 0.00 0.00 66.41 66.03 3iq2 h THR 135 Cb 0.61 1.28 0.00 0.00 -1.07 0.00 0.00 68.15 68.97 3iq2 h THR 135 CO 0.04 0.06 0.00 0.49 -0.01 0.00 0.00 175.52 176.10 3iq2 n PHE 136 N -3.37 0.71 -1.99 0.00 3.72 -1.09 -4.85 117.46 110.59 3iq2 n PHE 136 Ca -0.02 -0.36 -0.41 0.00 -0.05 0.00 0.00 57.45 56.61 3iq2 n PHE 136 Cb 0.20 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.72 3iq2 n PHE 136 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3iq2 s ASN 137 N -1.25 6.62 0.24 4.37 3.84 -0.71 -4.91 114.94 123.14 3iq2 s ASN 137 Ca 0.43 2.71 -0.04 0.00 0.21 0.00 0.00 52.86 56.16 3iq2 s ASN 137 Cb 0.24 -2.63 0.26 0.00 -0.55 0.00 0.00 41.25 38.56 3iq2 s ASN 137 CO 0.32 -0.72 1.75 -0.08 -2.79 0.00 0.00 177.10 175.57 3iq2 h GLU 138 N 4.88 0.93 0.00 0.43 4.57 -1.93 -2.25 114.58 121.20 3iq2 h GLU 138 Ca -0.46 -0.24 -0.10 0.00 -1.18 0.00 0.00 59.36 57.38 3iq2 h GLU 138 Cb 1.22 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 3iq2 h GLU 138 CO 0.77 0.88 -0.47 -0.44 -1.18 0.00 0.00 179.01 178.56 3iq2 h ASP 139 N 0.88 0.00 -0.22 1.04 3.32 -1.97 -1.21 116.42 118.25 3iq2 h ASP 139 Ca 0.18 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3iq2 h ASP 139 Cb 0.41 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3iq2 h ASP 139 CO 0.01 0.47 0.11 0.15 -1.72 0.00 0.00 179.24 178.27 3iq2 h PHE 140 N 0.00 0.32 -0.09 4.55 3.57 -1.81 0.89 116.94 124.37 3iq2 h PHE 140 Ca -0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.50 3iq2 h PHE 140 Cb 0.86 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 3iq2 h PHE 140 CO 0.00 0.31 -0.05 -0.22 -2.23 0.00 0.00 178.31 176.13 3iq2 h LYS 141 N 0.23 -0.04 -0.56 1.11 3.64 -1.05 -1.68 116.57 118.22 3iq2 h LYS 141 Ca 0.08 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 3iq2 h LYS 141 Cb 0.11 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 3iq2 h LYS 141 CO -0.01 -0.03 0.33 0.82 -2.27 0.00 0.00 179.45 178.29 3iq2 h ILE 142 N -0.04 1.05 -0.99 2.00 2.04 -1.12 -2.31 117.51 118.13 3iq2 h ILE 142 Ca 0.05 -0.22 0.13 0.00 1.00 0.00 0.00 64.86 65.82 3iq2 h ILE 142 Cb 0.12 0.34 -0.09 0.00 -0.74 0.00 0.00 36.82 36.45 3iq2 h ILE 142 CO -0.12 0.12 0.62 0.15 0.00 0.00 0.00 178.15 178.93 3iq2 h PHE 143 N 0.65 1.10 -0.00 1.37 3.57 -0.42 0.08 116.94 123.29 3iq2 h PHE 143 Ca 0.23 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.76 3iq2 h PHE 143 Cb 0.04 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.43 3iq2 h PHE 143 CO -0.06 0.41 -0.25 1.28 -2.23 0.00 0.00 178.31 177.45 3iq2 n LEU 144 N -4.63 0.30 0.00 0.59 4.77 -0.67 -4.47 117.00 112.89 3iq2 n LEU 144 Ca 0.19 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 3iq2 n LEU 144 Cb 0.40 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3iq2 n LEU 144 CO 0.27 0.07 -0.31 0.35 -1.33 0.00 0.00 177.39 176.44 3iq2 n THR 145 N -1.44 0.00 -2.23 -5.08 -2.24 -0.80 -4.63 114.28 97.87 3iq2 n THR 145 Ca 0.07 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.48 3iq2 n THR 145 Cb 0.33 0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.59 3iq2 n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iq2 s ALA 146 N -1.35 2.95 -1.37 6.98 0.00 -0.05 -3.40 121.76 125.52 3iq2 s ALA 146 Ca 0.00 0.95 -0.08 0.00 0.00 0.00 0.00 51.96 52.83 3iq2 s ALA 146 Cb 0.00 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.75 3iq2 s ALA 146 CO 0.00 -0.70 1.08 1.04 0.00 0.00 0.00 175.76 177.18 3iq2 n GLN 147 N -0.55 -7.05 -1.92 0.00 6.02 -1.26 -4.83 117.38 107.79 3iq2 n GLN 147 Ca 0.08 0.77 -0.38 0.00 -0.01 0.00 0.00 57.00 57.45 3iq2 n GLN 147 Cb 0.48 -5.75 0.02 0.00 1.02 0.00 0.00 30.24 26.01 3iq2 n GLN 147 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3iq2 s ALA 148 N -3.34 2.90 0.15 -1.58 0.00 -1.22 -4.70 121.76 113.97 3iq2 s ALA 148 Ca 0.48 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.68 3iq2 s ALA 148 Cb -0.22 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 3iq2 s ALA 148 CO 0.76 -1.15 0.31 -1.58 0.00 0.00 0.00 175.76 174.10 3iq2 s TRP 149 N -1.36 3.49 -2.00 0.00 0.52 0.10 -5.02 118.94 114.67 3iq2 s TRP 149 Ca 0.68 0.23 0.10 0.00 0.02 0.00 0.00 56.10 57.13 3iq2 s TRP 149 Cb -0.37 -1.75 0.61 0.00 -1.15 0.00 0.00 33.47 30.81 3iq2 s TRP 149 CO 0.45 0.48 1.06 0.39 0.02 0.00 0.00 176.95 179.34