#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iq4 s ASN 2 N 0.00 6.87 0.33 6.12 3.84 -1.26 -4.98 114.94 125.86 1iq4 s ASN 2 Ca 0.00 1.11 0.10 0.00 0.21 0.00 0.00 52.86 54.28 1iq4 s ASN 2 Cb 0.00 -2.30 0.90 0.00 -0.55 0.00 0.00 41.25 39.30 1iq4 s ASN 2 CO 0.00 0.15 1.74 -0.09 -2.79 0.00 0.00 177.10 176.11 1iq4 h ARG 3 N 3.82 0.56 0.08 0.43 2.43 -1.99 -1.58 114.38 118.13 1iq4 h ARG 3 Ca -0.49 -0.03 -0.26 0.00 -0.81 0.00 0.00 59.98 58.39 1iq4 h ARG 3 Cb 1.20 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1iq4 h ARG 3 CO 0.65 0.37 -1.13 1.25 -1.51 0.00 0.00 179.97 179.60 1iq4 h LEU 4 N 0.58 0.51 -0.79 3.80 5.85 -1.94 -2.95 115.31 120.38 1iq4 h LEU 4 Ca 0.63 -0.48 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 1iq4 h LEU 4 Cb 1.22 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1iq4 h LEU 4 CO -0.44 1.33 0.12 0.50 -0.34 0.00 0.00 178.44 179.61 1iq4 h LYS 5 N 0.15 1.04 -0.49 1.25 3.64 -1.72 -1.17 116.57 119.26 1iq4 h LYS 5 Ca -0.12 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 1iq4 h LYS 5 Cb 1.82 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 33.48 1iq4 h LYS 5 CO 0.19 0.94 0.28 0.93 -2.27 0.00 0.00 179.45 179.52 1iq4 h GLU 6 N 0.98 0.67 -0.20 1.90 5.08 -1.35 -1.19 114.58 120.47 1iq4 h GLU 6 Ca 0.20 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.33 1iq4 h GLU 6 Cb 0.40 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1iq4 h GLU 6 CO 0.01 0.48 -0.58 -0.22 -1.00 0.00 0.00 179.01 177.70 1iq4 h LYS 7 N 0.68 0.64 -0.01 2.33 3.64 -1.15 0.17 116.57 122.87 1iq4 h LYS 7 Ca 0.18 -0.42 -0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1iq4 h LYS 7 Cb 0.00 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1iq4 h LYS 7 CO -0.03 1.04 0.01 -0.92 -2.27 0.00 0.00 179.45 177.27 1iq4 h TYR 8 N 0.48 0.02 0.48 1.91 3.20 -0.54 0.52 116.97 123.05 1iq4 h TYR 8 Ca 0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1iq4 h TYR 8 Cb 1.15 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1iq4 h TYR 8 CO 0.05 0.19 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.46 1iq4 h LEU 9 N -0.15 -0.55 0.00 2.82 3.38 -1.24 0.91 115.31 120.48 1iq4 h LEU 9 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1iq4 h LEU 9 Cb 0.18 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1iq4 h LEU 9 CO -0.00 -0.13 0.00 0.59 0.09 0.00 0.00 178.44 178.99 1iq4 n ASN 10 N -5.22 0.00 0.00 -0.43 3.02 0.61 -4.28 115.26 108.97 1iq4 n ASN 10 Ca -0.09 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 1iq4 n ASN 10 Cb 0.28 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1iq4 n ASN 10 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1iq4 n GLU 11 N -1.05 0.00 0.00 3.52 1.02 -0.02 -4.90 120.64 119.22 1iq4 n GLU 11 Ca 0.20 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.16 1iq4 n GLU 11 Cb 0.12 -0.10 -0.09 0.00 -0.02 0.00 0.00 31.44 31.35 1iq4 n GLU 11 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1iq4 h VAL 12 N 0.00 1.33 0.12 2.62 2.07 -0.50 -2.90 116.25 118.99 1iq4 h VAL 12 Ca 0.00 -2.05 0.01 0.00 0.82 0.00 0.00 66.70 65.48 1iq4 h VAL 12 Cb 0.00 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 1iq4 h VAL 12 CO 0.00 0.63 -0.21 0.58 0.02 0.00 0.00 177.57 178.59 1iq4 h VAL 13 N 0.27 0.52 -0.17 2.57 2.07 -1.02 0.34 116.25 120.84 1iq4 h VAL 13 Ca -0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1iq4 h VAL 13 Cb 1.43 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.66 1iq4 h VAL 13 CO 0.15 0.00 -0.24 -0.65 0.02 0.00 0.00 177.57 176.85 1iq4 h PRO 14 N -0.40 -0.28 -0.25 1.57 0.11 -1.78 0.28 132.00 131.25 1iq4 h PRO 14 Ca 0.02 0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.20 1iq4 h PRO 14 Cb 0.42 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.55 1iq4 h PRO 14 CO -0.11 -0.18 -0.04 0.00 -0.21 0.00 0.00 178.00 177.46 1iq4 h ALA 15 N 0.69 0.19 -0.65 -0.75 0.00 -1.28 0.48 119.26 117.95 1iq4 h ALA 15 Ca 0.11 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1iq4 h ALA 15 Cb 0.45 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1iq4 h ALA 15 CO -0.33 -0.45 0.43 -0.07 0.00 0.00 0.00 179.25 178.83 1iq4 h LEU 16 N 0.03 0.64 0.01 0.00 3.38 0.25 -2.81 115.31 116.82 1iq4 h LEU 16 Ca 0.12 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1iq4 h LEU 16 Cb 0.17 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1iq4 h LEU 16 CO -0.23 0.44 -0.01 0.24 0.09 0.00 0.00 178.44 178.97 1iq4 h MET 17 N 0.74 -0.01 -2.03 1.13 2.86 0.14 -1.17 114.93 116.59 1iq4 h MET 17 Ca 0.26 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.89 1iq4 h MET 17 Cb 0.11 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 1iq4 h MET 17 CO -0.07 -0.01 -0.01 -1.13 1.06 0.00 0.00 176.91 176.75 1iq4 n SER 18 N -2.04 3.47 0.00 1.22 3.41 -0.03 0.53 113.62 120.17 1iq4 n SER 18 Ca -0.00 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 1iq4 n SER 18 Cb 0.01 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 1iq4 n SER 18 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1iq4 n LYS 19 N 1.77 0.37 0.00 4.33 4.81 -1.07 -4.91 118.16 123.45 1iq4 n LYS 19 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1iq4 n LYS 19 Cb 0.35 -0.03 0.00 0.00 0.02 0.00 0.00 35.03 35.37 1iq4 n LYS 19 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1iq4 n PHE 20 N 0.00 0.00 0.00 5.64 3.01 -0.45 -5.04 117.46 120.62 1iq4 n PHE 20 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1iq4 n PHE 20 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1iq4 n PHE 20 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1iq4 n ASN 21 N -0.06 0.00 -1.31 4.37 4.13 0.19 -4.95 115.26 117.64 1iq4 n ASN 21 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1iq4 n ASN 21 Cb 0.08 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.32 1iq4 n ASN 21 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1iq4 n TYR 22 N 0.00 -3.59 0.04 3.10 0.53 -1.26 -4.71 117.16 111.27 1iq4 n TYR 22 Ca 0.00 1.91 -0.11 0.00 -1.02 0.00 0.00 57.90 58.68 1iq4 n TYR 22 Cb 0.00 -3.07 -0.04 0.00 -1.03 0.00 0.00 39.34 35.20 1iq4 n TYR 22 CO 0.00 0.00 0.00 -0.22 -1.02 0.00 0.00 176.86 175.62 1iq4 h LYS 23 N 1.41 -0.33 0.00 -0.72 3.64 -1.94 -3.47 116.57 115.17 1iq4 h LYS 23 Ca 0.00 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1iq4 h LYS 23 Cb 0.00 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1iq4 h LYS 23 CO 0.00 -0.22 0.02 -1.13 -2.27 0.00 0.00 179.45 175.85 1iq4 n SER 24 N -5.35 -0.52 0.18 4.20 3.41 -1.26 -5.01 113.62 109.26 1iq4 n SER 24 Ca -0.04 -1.50 0.13 0.00 -0.26 0.00 0.00 58.87 57.19 1iq4 n SER 24 Cb 0.27 0.91 0.69 0.00 -0.26 0.00 0.00 64.21 65.81 1iq4 n SER 24 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1iq4 h ILE 25 N 1.29 0.85 0.00 -1.33 1.08 -1.95 -0.74 117.51 116.72 1iq4 h ILE 25 Ca -0.09 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 1iq4 h ILE 25 Cb 0.35 0.91 -0.00 0.00 -3.07 0.00 0.00 36.82 35.00 1iq4 h ILE 25 CO 0.11 0.00 -0.04 -0.03 -0.69 0.00 0.00 178.15 177.50 1iq4 h MET 26 N 0.00 0.00 0.00 2.37 4.05 -1.99 -2.14 114.93 117.23 1iq4 h MET 26 Ca 0.08 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1iq4 h MET 26 Cb 0.34 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.14 1iq4 h MET 26 CO -0.00 0.04 -1.03 1.04 0.23 0.00 0.00 176.91 177.19 1iq4 n GLN 27 N -3.98 0.24 -2.11 0.39 3.00 -0.29 -4.92 117.38 109.71 1iq4 n GLN 27 Ca -0.03 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.53 1iq4 n GLN 27 Cb 0.13 -1.57 -0.03 0.00 0.00 0.00 0.00 30.24 28.77 1iq4 n GLN 27 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1iq4 s VAL 28 N -3.17 3.10 0.48 5.09 1.01 -0.81 -4.96 120.40 121.14 1iq4 s VAL 28 Ca 0.04 0.81 -0.23 0.00 0.00 0.00 0.00 61.98 62.60 1iq4 s VAL 28 Cb 0.15 -3.52 -0.07 0.00 0.00 0.00 0.00 36.38 32.94 1iq4 s VAL 28 CO 0.81 0.07 1.25 -2.84 0.00 0.00 0.00 175.10 174.39 1iq4 s PRO 29 N 0.87 3.61 0.21 2.72 0.02 -1.26 -4.98 135.00 136.19 1iq4 s PRO 29 Ca 0.64 1.98 0.03 0.00 0.02 0.00 0.00 61.00 63.67 1iq4 s PRO 29 Cb -0.39 -2.43 -0.05 0.00 0.02 0.00 0.00 34.50 31.66 1iq4 s PRO 29 CO 0.32 -0.73 0.01 -1.59 -0.33 0.00 0.00 177.00 174.68 1iq4 s LYS 30 N -2.68 1.24 -0.25 5.54 -2.85 -1.26 -4.93 119.74 114.55 1iq4 s LYS 30 Ca 0.65 -1.62 -0.26 0.00 -1.00 0.00 0.00 55.97 53.74 1iq4 s LYS 30 Cb -0.34 -0.42 -0.00 0.00 -2.06 0.00 0.00 37.83 35.01 1iq4 s LYS 30 CO 0.41 -0.13 0.89 0.42 0.10 0.00 0.00 175.35 177.04 1iq4 s ILE 31 N -3.56 4.79 -0.06 3.79 1.01 -1.26 -1.47 121.20 124.43 1iq4 s ILE 31 Ca 0.27 1.66 -0.24 0.00 0.00 0.00 0.00 60.65 62.34 1iq4 s ILE 31 Cb 0.06 -4.17 -0.27 0.00 0.01 0.00 0.00 42.46 38.09 1iq4 s ILE 31 CO 0.07 -0.12 0.94 -0.08 0.00 0.00 0.00 174.94 175.74 1iq4 h GLU 32 N 7.66 0.20 -2.40 2.79 4.81 -0.85 -3.47 114.58 123.33 1iq4 h GLU 32 Ca -0.22 -0.28 0.10 0.00 -0.13 0.00 0.00 59.36 58.83 1iq4 h GLU 32 Cb 1.08 0.09 -0.14 0.00 0.63 0.00 0.00 28.75 30.42 1iq4 h GLU 32 CO 0.90 1.06 0.45 -1.59 -0.73 0.00 0.00 179.01 179.11 1iq4 s LYS 33 N -2.71 0.93 -0.11 1.92 -2.85 -1.13 -4.64 119.74 111.16 1iq4 s LYS 33 Ca -0.15 -0.37 0.03 0.00 -1.00 0.00 0.00 55.97 54.48 1iq4 s LYS 33 Cb 0.00 0.41 0.01 0.00 -2.06 0.00 0.00 37.83 36.20 1iq4 s LYS 33 CO 0.77 -0.41 -0.19 0.42 0.10 0.00 0.00 175.35 176.04 1iq4 s ILE 34 N -3.24 1.77 -0.18 3.79 1.01 -0.50 -0.88 121.20 122.98 1iq4 s ILE 34 Ca 0.05 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 59.84 1iq4 s ILE 34 Cb -0.01 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1iq4 s ILE 34 CO -0.08 0.50 -0.05 -0.69 0.00 0.00 0.00 174.94 174.61 1iq4 s VAL 35 N 0.70 3.55 -0.23 2.92 1.01 -0.38 -0.47 120.40 127.50 1iq4 s VAL 35 Ca -0.12 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 1iq4 s VAL 35 Cb -0.16 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.64 1iq4 s VAL 35 CO 0.02 0.46 -0.03 -0.63 0.00 0.00 0.00 175.10 174.92 1iq4 s ILE 36 N 0.87 3.38 0.02 2.22 1.01 -0.18 -1.03 121.20 127.49 1iq4 s ILE 36 Ca -0.01 -0.56 0.09 0.00 0.00 0.00 0.00 60.65 60.16 1iq4 s ILE 36 Cb -0.15 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 1iq4 s ILE 36 CO 0.01 0.37 -0.26 0.21 0.00 0.00 0.00 174.94 175.27 1iq4 s ASN 37 N 1.47 3.16 -0.19 3.58 2.47 0.12 -1.02 114.94 124.52 1iq4 s ASN 37 Ca 0.05 -0.53 -0.04 0.00 0.42 0.00 0.00 52.86 52.76 1iq4 s ASN 37 Cb -0.15 -0.33 0.06 0.00 -1.45 0.00 0.00 41.25 39.39 1iq4 s ASN 37 CO -0.03 0.28 0.06 -0.32 -3.72 0.00 0.00 177.10 173.37 1iq4 s MET 38 N -1.00 0.44 0.54 0.43 -2.45 -0.68 -1.45 119.30 115.13 1iq4 s MET 38 Ca 0.11 -0.32 -0.17 0.00 -1.25 0.00 0.00 55.69 54.06 1iq4 s MET 38 Cb -0.10 -2.00 -0.06 0.00 1.25 0.00 0.00 34.83 33.92 1iq4 s MET 38 CO 0.01 -0.67 1.03 0.20 1.05 0.00 0.00 175.02 176.64 1iq4 s GLY 39 N 1.96 2.22 -0.35 2.11 0.00 -1.26 -1.86 107.32 110.14 1iq4 s GLY 39 Ca 0.00 0.39 0.01 0.00 0.00 0.00 0.00 44.72 45.12 1iq4 s GLY 39 CO -0.09 0.70 0.25 0.14 0.00 0.00 0.00 173.10 174.10 1iq4 s VAL 40 N -2.36 -0.03 -1.01 1.40 1.01 0.30 -4.85 120.40 114.86 1iq4 s VAL 40 Ca 0.63 -1.40 0.27 0.00 0.00 0.00 0.00 61.98 61.49 1iq4 s VAL 40 Cb -0.14 -0.98 0.23 0.00 0.00 0.00 0.00 36.38 35.50 1iq4 s VAL 40 CO 0.30 -0.84 1.88 0.61 0.00 0.00 0.00 175.10 177.05 1iq4 n GLY 41 N 4.23 -1.44 1.01 4.51 0.00 -1.26 -3.25 105.19 108.98 1iq4 n GLY 41 Ca 0.10 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1iq4 n GLY 41 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iq4 n ASP 42 N -1.49 4.02 -0.31 1.61 5.75 -1.26 -4.79 116.55 120.07 1iq4 n ASP 42 Ca 0.07 -3.04 0.12 0.00 -0.01 0.00 0.00 54.79 51.92 1iq4 n ASP 42 Cb 0.32 -0.56 0.29 0.00 -1.03 0.00 0.00 41.12 40.13 1iq4 n ASP 42 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1iq4 h ALA 43 N 1.97 1.44 -0.04 2.12 0.00 -1.76 1.38 119.26 124.36 1iq4 h ALA 43 Ca 0.01 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1iq4 h ALA 43 Cb 1.52 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1iq4 h ALA 43 CO 0.26 -0.22 -0.12 0.28 0.00 0.00 0.00 179.25 179.45 1iq4 h VAL 44 N 0.53 1.45 0.00 0.00 2.07 -1.87 -2.66 116.25 115.77 1iq4 h VAL 44 Ca 0.54 -1.50 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 1iq4 h VAL 44 Cb 0.92 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 1iq4 h VAL 44 CO -0.45 0.41 -0.19 1.56 0.02 0.00 0.00 177.57 178.92 1iq4 h GLN 45 N -0.38 0.00 -2.08 1.57 7.50 -1.85 -3.36 115.11 116.51 1iq4 h GLN 45 Ca -0.00 0.00 -0.57 0.00 0.50 0.00 0.00 58.65 58.58 1iq4 h GLN 45 Cb 0.73 0.00 -0.40 0.00 0.05 0.00 0.00 27.48 27.86 1iq4 h GLN 45 CO 0.03 0.19 -0.92 -1.71 -1.50 0.00 0.00 178.83 174.92 1iq4 n ASN 46 N -3.22 1.64 -0.34 1.46 5.15 0.47 -4.96 115.26 115.45 1iq4 n ASN 46 Ca 0.02 -3.02 0.23 0.00 -0.60 0.00 0.00 54.58 51.21 1iq4 n ASN 46 Cb 0.51 -0.64 0.49 0.00 -0.53 0.00 0.00 39.78 39.61 1iq4 n ASN 46 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1iq4 h PRO 47 N 3.92 0.39 -0.05 1.20 0.11 -1.63 0.50 132.00 136.44 1iq4 h PRO 47 Ca 0.12 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1iq4 h PRO 47 Cb 0.80 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 1iq4 h PRO 47 CO 0.61 0.26 -0.03 0.87 -0.21 0.00 0.00 178.00 179.49 1iq4 h LYS 48 N 0.40 0.07 -0.28 1.05 1.57 -1.93 -0.92 116.57 116.54 1iq4 h LYS 48 Ca 0.63 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 59.30 1iq4 h LYS 48 Cb 1.55 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.83 1iq4 h LYS 48 CO -0.36 0.12 -0.25 0.00 -0.57 0.00 0.00 179.45 178.40 1iq4 h ALA 49 N 1.90 1.05 -0.30 3.86 0.00 -1.25 -0.19 119.26 124.32 1iq4 h ALA 49 Ca 0.02 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.40 1iq4 h ALA 49 Cb 0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1iq4 h ALA 49 CO 0.00 0.58 -0.51 1.25 0.00 0.00 0.00 179.25 180.57 1iq4 h LEU 50 N 0.48 0.97 -0.75 0.00 5.85 -1.23 -1.96 115.31 118.68 1iq4 h LEU 50 Ca 0.07 -0.52 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 1iq4 h LEU 50 Cb 0.68 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1iq4 h LEU 50 CO 0.05 1.31 0.46 0.44 -0.34 0.00 0.00 178.44 180.35 1iq4 h ASP 51 N 0.66 0.89 -0.55 1.25 3.32 -0.91 -0.83 116.42 120.25 1iq4 h ASP 51 Ca 0.02 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1iq4 h ASP 51 Cb 1.12 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.42 1iq4 h ASP 51 CO 0.12 0.69 0.22 0.28 -1.72 0.00 0.00 179.24 178.82 1iq4 h SER 52 N 1.02 0.75 -0.48 6.45 0.02 -0.97 -0.83 113.55 119.51 1iq4 h SER 52 Ca 0.27 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1iq4 h SER 52 Cb -0.05 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 1iq4 h SER 52 CO -0.05 0.71 0.24 0.00 -1.14 0.00 0.00 176.83 176.59 1iq4 h ALA 53 N 1.07 0.62 -0.41 3.77 0.00 -0.92 -0.82 119.26 122.56 1iq4 h ALA 53 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1iq4 h ALA 53 Cb 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1iq4 h ALA 53 CO -0.02 0.17 0.27 0.28 0.00 0.00 0.00 179.25 179.96 1iq4 h VAL 54 N 0.63 1.11 -0.15 0.00 2.07 -0.90 -0.45 116.25 118.56 1iq4 h VAL 54 Ca 0.17 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1iq4 h VAL 54 Cb 0.10 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1iq4 h VAL 54 CO -0.02 0.10 0.04 -0.08 0.02 0.00 0.00 177.57 177.63 1iq4 h GLU 55 N 0.56 0.24 -0.69 1.57 4.81 -0.93 -1.95 114.58 118.18 1iq4 h GLU 55 Ca 0.15 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1iq4 h GLU 55 Cb -0.06 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1iq4 h GLU 55 CO -0.03 0.37 0.31 0.93 -0.73 0.00 0.00 179.01 179.85 1iq4 h GLU 56 N 0.06 0.99 -0.50 1.92 5.08 -0.90 -1.58 114.58 119.66 1iq4 h GLU 56 Ca 0.05 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1iq4 h GLU 56 Cb 0.23 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1iq4 h GLU 56 CO -0.00 0.78 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.70 1iq4 h LEU 57 N 0.98 0.82 -0.21 1.33 3.38 -0.99 -0.85 115.31 119.77 1iq4 h LEU 57 Ca 0.24 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1iq4 h LEU 57 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1iq4 h LEU 57 CO -0.03 0.90 0.11 0.74 0.09 0.00 0.00 178.44 180.24 1iq4 h THR 58 N 0.78 1.13 -0.73 0.22 2.02 -0.90 0.18 112.91 115.60 1iq4 h THR 58 Ca 0.15 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 1iq4 h THR 58 Cb 0.50 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1iq4 h THR 58 CO 0.03 0.12 0.31 -0.07 0.37 0.00 0.00 175.52 176.28 1iq4 h LEU 59 N 0.21 0.98 -0.05 2.58 3.38 -1.05 -0.74 115.31 120.62 1iq4 h LEU 59 Ca 0.07 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1iq4 h LEU 59 Cb 0.10 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.61 1iq4 h LEU 59 CO -0.01 0.85 -0.49 0.40 0.09 0.00 0.00 178.44 179.28 1iq4 h ILE 60 N 1.05 1.41 0.00 1.22 2.04 -0.77 -3.34 117.51 119.12 1iq4 h ILE 60 Ca 0.25 -1.92 0.00 0.00 1.00 0.00 0.00 64.86 64.19 1iq4 h ILE 60 Cb 0.17 2.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1iq4 h ILE 60 CO -0.02 0.56 -0.56 0.00 0.00 0.00 0.00 178.15 178.12 1iq4 h ALA 61 N 0.39 0.68 -0.20 1.87 0.00 -0.65 -3.47 119.26 117.87 1iq4 h ALA 61 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1iq4 h ALA 61 Cb 1.17 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1iq4 h ALA 61 CO 0.10 0.00 -0.08 0.41 0.00 0.00 0.00 179.25 179.68 1iq4 n GLY 62 N 1.24 0.71 3.44 0.00 0.00 -0.29 -4.87 105.19 105.42 1iq4 n GLY 62 Ca 0.03 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 1iq4 n GLY 62 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1iq4 s GLN 63 N -2.16 0.77 0.33 1.61 0.74 -1.20 -5.07 119.66 114.68 1iq4 s GLN 63 Ca 0.00 0.48 -0.26 0.00 0.05 0.00 0.00 55.36 55.63 1iq4 s GLN 63 Cb 0.00 0.36 -0.10 0.00 1.10 0.00 0.00 33.01 34.38 1iq4 s GLN 63 CO 0.00 -0.16 0.97 1.03 -0.55 0.00 0.00 175.29 176.58 1iq4 s ARG 64 N -0.38 4.52 0.85 1.67 0.52 -1.26 -4.06 118.95 120.80 1iq4 s ARG 64 Ca -0.05 1.38 -0.11 0.00 -0.52 0.00 0.00 55.73 56.43 1iq4 s ARG 64 Cb -0.03 -2.77 0.15 0.00 0.52 0.00 0.00 34.95 32.81 1iq4 s ARG 64 CO 0.04 0.20 1.18 -1.25 0.02 0.00 0.00 175.30 175.50 1iq4 s PRO 65 N -2.11 1.28 -0.11 3.54 0.04 -1.26 -4.82 135.00 131.56 1iq4 s PRO 65 Ca 0.51 -0.48 -0.01 0.00 0.04 0.00 0.00 61.00 61.07 1iq4 s PRO 65 Cb -0.20 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1iq4 s PRO 65 CO 0.25 -1.91 -0.08 0.08 0.04 0.00 0.00 177.00 175.38 1iq4 s VAL 66 N -3.58 3.54 0.08 -0.36 1.01 0.94 -4.87 120.40 117.16 1iq4 s VAL 66 Ca 0.69 -0.51 -0.31 0.00 0.00 0.00 0.00 61.98 61.85 1iq4 s VAL 66 Cb -0.06 -2.49 -0.08 0.00 0.00 0.00 0.00 36.38 33.75 1iq4 s VAL 66 CO 0.49 0.54 1.46 -0.69 0.00 0.00 0.00 175.10 176.91 1iq4 s VAL 67 N -0.08 3.29 -0.02 2.92 1.01 -1.26 -1.02 120.40 125.24 1iq4 s VAL 67 Ca 0.00 0.84 -0.27 0.00 0.00 0.00 0.00 61.98 62.55 1iq4 s VAL 67 Cb -0.13 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1iq4 s VAL 67 CO 0.03 0.03 0.83 -0.89 0.00 0.00 0.00 175.10 175.11 1iq4 s THR 68 N 1.76 4.92 0.07 3.92 2.01 0.24 -4.93 115.64 123.62 1iq4 s THR 68 Ca 0.67 1.74 0.08 0.00 0.31 0.00 0.00 61.69 64.49 1iq4 s THR 68 Cb -0.37 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 67.94 1iq4 s THR 68 CO 0.30 0.23 -0.22 -0.13 -0.69 0.00 0.00 174.62 174.11 1iq4 s ARG 69 N 0.75 1.35 0.16 4.92 0.52 -1.26 -0.63 118.95 124.75 1iq4 s ARG 69 Ca 0.44 -1.07 -0.32 0.00 -0.52 0.00 0.00 55.73 54.26 1iq4 s ARG 69 Cb -0.20 -1.55 -0.12 0.00 0.52 0.00 0.00 34.95 33.60 1iq4 s ARG 69 CO 0.23 0.38 1.75 0.00 0.02 0.00 0.00 175.30 177.69 1iq4 n ALA 70 N 1.51 2.29 -0.49 2.13 0.00 0.17 -4.84 120.51 121.27 1iq4 n ALA 70 Ca -0.18 0.37 0.42 0.00 0.00 0.00 0.00 53.44 54.04 1iq4 n ALA 70 Cb 0.53 -2.52 0.74 0.00 0.00 0.00 0.00 19.45 18.20 1iq4 n ALA 70 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1iq4 h LYS 71 N 7.44 0.04 -3.15 0.00 3.64 -1.95 -3.35 116.57 119.24 1iq4 h LYS 71 Ca -0.45 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.95 1iq4 h LYS 71 Cb 1.22 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.96 1iq4 h LYS 71 CO 0.94 0.03 0.14 -1.59 -2.27 0.00 0.00 179.45 176.70 1iq4 s LYS 72 N -5.02 1.60 -0.13 1.90 -2.85 -1.26 -4.88 119.74 109.10 1iq4 s LYS 72 Ca -0.06 -0.93 0.15 0.00 -1.00 0.00 0.00 55.97 54.13 1iq4 s LYS 72 Cb 0.26 0.57 0.33 0.00 -2.06 0.00 0.00 37.83 36.93 1iq4 s LYS 72 CO 0.84 -0.71 1.17 0.43 0.10 0.00 0.00 175.35 177.18 1iq4 n SER 73 N -0.41 1.65 -0.09 0.03 7.64 -1.26 -4.78 113.62 116.40 1iq4 n SER 73 Ca -0.07 -3.17 0.00 0.00 1.01 0.00 0.00 58.87 56.65 1iq4 n SER 73 Cb 0.61 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1iq4 n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iq4 n ILE 74 N -0.89 0.00 0.00 0.44 3.06 -1.26 -4.50 119.36 116.21 1iq4 n ILE 74 Ca 0.14 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.39 1iq4 n ILE 74 Cb 0.73 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.91 1iq4 n ILE 74 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1iq4 n ALA 75 N -0.39 0.00 -0.35 1.51 0.00 -1.26 -4.43 120.51 115.59 1iq4 n ALA 75 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1iq4 n ALA 75 Cb 0.13 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.84 1iq4 n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iq4 n GLY 76 N 0.00 -3.90 2.27 0.00 0.00 -1.26 -4.72 105.19 97.58 1iq4 n GLY 76 Ca 0.00 -1.29 -0.03 0.00 0.00 0.00 0.00 46.02 44.70 1iq4 n GLY 76 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iq4 n PHE 77 N -5.51 -1.79 0.16 1.61 3.01 -1.26 -4.80 117.46 108.88 1iq4 n PHE 77 Ca 0.12 0.71 -0.14 0.00 1.01 0.00 0.00 57.45 59.15 1iq4 n PHE 77 Cb 0.54 -2.91 -0.08 0.00 -0.01 0.00 0.00 39.48 37.02 1iq4 n PHE 77 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1iq4 h ARG 78 N 0.77 -0.36 -0.97 -1.08 2.43 -1.94 -3.23 114.38 110.01 1iq4 h ARG 78 Ca 0.00 0.02 -0.48 0.00 -0.81 0.00 0.00 59.98 58.72 1iq4 h ARG 78 Cb 0.71 0.08 -0.29 0.00 -0.42 0.00 0.00 29.97 30.06 1iq4 h ARG 78 CO 0.13 -0.11 0.61 1.28 -1.51 0.00 0.00 179.97 180.37 1iq4 n LEU 79 N -5.16 6.66 -4.72 3.80 4.32 -1.26 -4.94 117.00 115.69 1iq4 n LEU 79 Ca -0.10 -3.55 -0.38 0.00 -0.02 0.00 0.00 56.01 51.96 1iq4 n LEU 79 Cb 0.23 -0.83 -0.06 0.00 -1.62 0.00 0.00 43.42 41.14 1iq4 n LEU 79 CO 0.33 1.02 0.18 -0.60 -1.22 0.00 0.00 177.39 177.09 1iq4 s ARG 80 N -3.25 4.34 0.52 3.23 6.06 -1.22 -5.06 118.95 123.57 1iq4 s ARG 80 Ca 0.57 0.46 -0.18 0.00 -2.50 0.00 0.00 55.73 54.07 1iq4 s ARG 80 Cb 0.47 -3.44 -0.07 0.00 0.06 0.00 0.00 34.95 31.98 1iq4 s ARG 80 CO 0.11 0.16 1.04 -0.65 -2.50 0.00 0.00 175.30 173.46 1iq4 s GLN 81 N 0.62 3.67 0.57 5.12 -0.21 -1.26 -4.85 119.66 123.33 1iq4 s GLN 81 Ca 0.26 1.26 -0.15 0.00 0.02 0.00 0.00 55.36 56.75 1iq4 s GLN 81 Cb -0.15 -2.08 -0.05 0.00 1.00 0.00 0.00 33.01 31.73 1iq4 s GLN 81 CO 0.10 -0.53 1.03 0.20 -2.12 0.00 0.00 175.29 173.98 1iq4 s GLY 82 N -2.36 2.05 0.40 3.09 0.00 -1.26 -4.87 107.32 104.37 1iq4 s GLY 82 Ca 0.65 0.27 -0.26 0.00 0.00 0.00 0.00 44.72 45.38 1iq4 s GLY 82 CO 0.26 0.58 1.29 -0.29 0.00 0.00 0.00 173.10 174.94 1iq4 s MET 83 N -4.19 4.01 0.19 2.90 1.75 -1.26 -4.32 119.30 118.38 1iq4 s MET 83 Ca 0.61 2.12 -0.30 0.00 -1.25 0.00 0.00 55.69 56.88 1iq4 s MET 83 Cb -0.13 -2.78 -0.08 0.00 2.84 0.00 0.00 34.83 34.68 1iq4 s MET 83 CO 0.37 -0.45 1.24 -2.14 -0.65 0.00 0.00 175.02 173.39 1iq4 s PRO 84 N -2.20 4.45 -0.00 4.11 0.02 -1.26 0.43 135.00 140.55 1iq4 s PRO 84 Ca 0.56 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.52 1iq4 s PRO 84 Cb -0.37 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 30.93 1iq4 s PRO 84 CO 0.48 -0.15 0.70 0.44 -0.33 0.00 0.00 177.00 178.14 1iq4 n ILE 85 N 2.51 0.39 -2.81 2.83 -5.35 0.19 -4.52 119.36 112.60 1iq4 n ILE 85 Ca 0.05 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 1iq4 n ILE 85 Cb 0.44 0.80 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 1iq4 n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1iq4 n GLY 86 N -0.20 -0.06 3.37 3.28 0.00 -1.23 -0.54 105.19 109.82 1iq4 n GLY 86 Ca 0.00 -1.35 -0.15 0.00 0.00 0.00 0.00 46.02 44.53 1iq4 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iq4 s ALA 87 N -1.00 -1.22 -0.03 4.61 0.00 -0.78 -0.59 121.76 122.75 1iq4 s ALA 87 Ca 0.00 0.67 -0.04 0.00 0.00 0.00 0.00 51.96 52.60 1iq4 s ALA 87 Cb 0.00 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.28 1iq4 s ALA 87 CO 0.00 -0.37 0.10 0.15 0.00 0.00 0.00 175.76 175.64 1iq4 s LYS 88 N -1.69 0.17 -0.14 0.00 1.02 -0.19 -1.68 119.74 117.23 1iq4 s LYS 88 Ca -0.10 0.05 -0.03 0.00 0.02 0.00 0.00 55.97 55.91 1iq4 s LYS 88 Cb -0.02 0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.34 1iq4 s LYS 88 CO 0.04 -0.03 -0.03 0.08 -0.92 0.00 0.00 175.35 174.49 1iq4 s VAL 89 N -0.17 3.99 -0.22 3.17 1.01 -0.19 -0.04 120.40 127.95 1iq4 s VAL 89 Ca -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1iq4 s VAL 89 Cb -0.02 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.63 1iq4 s VAL 89 CO 0.00 0.51 -0.08 -0.89 0.00 0.00 0.00 175.10 174.64 1iq4 s THR 90 N 0.13 2.94 -0.04 3.92 2.01 -1.26 -1.01 115.64 122.33 1iq4 s THR 90 Ca -0.01 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.25 1iq4 s THR 90 Cb -0.13 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 1iq4 s THR 90 CO 0.03 0.39 0.04 -0.76 -0.69 0.00 0.00 174.62 173.63 1iq4 s LEU 91 N 1.40 3.75 0.11 4.42 1.43 0.38 -4.96 118.68 125.21 1iq4 s LEU 91 Ca 0.04 0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 1iq4 s LEU 91 Cb -0.15 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1iq4 s LEU 91 CO -0.06 0.32 -0.08 -0.13 0.23 0.00 0.00 176.35 176.63 1iq4 s ARG 92 N -1.38 0.87 3.80 1.70 0.52 -1.26 -1.40 118.95 121.79 1iq4 s ARG 92 Ca 0.19 -1.31 0.00 0.00 -0.52 0.00 0.00 55.73 54.09 1iq4 s ARG 92 Cb -0.12 -0.34 0.00 0.00 0.52 0.00 0.00 34.95 35.01 1iq4 s ARG 92 CO 0.09 0.02 0.00 0.41 0.02 0.00 0.00 175.30 175.84 1iq4 n GLY 93 N 0.08 3.05 0.41 -3.53 0.00 -1.26 -2.70 105.19 101.23 1iq4 n GLY 93 Ca -0.13 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 1iq4 n GLY 93 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1iq4 h GLU 94 N 0.00 -0.50 -1.01 1.61 4.57 -1.99 0.11 114.58 117.38 1iq4 h GLU 94 Ca 0.00 0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1iq4 h GLU 94 Cb 0.00 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.65 1iq4 h GLU 94 CO 0.00 -0.33 0.66 0.00 -1.18 0.00 0.00 179.01 178.16 1iq4 h ARG 95 N -0.52 1.30 -0.69 1.92 3.08 -1.98 0.71 114.38 118.21 1iq4 h ARG 95 Ca 0.07 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1iq4 h ARG 95 Cb 0.64 -0.29 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1iq4 h ARG 95 CO -0.38 0.86 0.41 1.98 -1.07 0.00 0.00 179.97 181.77 1iq4 h MET 96 N 1.34 0.94 -0.18 0.04 4.05 -1.14 0.53 114.93 120.52 1iq4 h MET 96 Ca 0.38 -0.09 -0.13 0.00 -0.28 0.00 0.00 59.70 59.58 1iq4 h MET 96 Cb -0.12 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.48 1iq4 h MET 96 CO -0.09 0.68 -0.43 1.88 0.23 0.00 0.00 176.91 179.17 1iq4 h TYR 97 N 0.94 0.51 -0.33 1.39 -1.99 -0.14 0.27 116.97 117.62 1iq4 h TYR 97 Ca 0.25 -0.15 -0.00 0.00 2.00 0.00 0.00 58.73 60.82 1iq4 h TYR 97 Cb -0.02 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 38.59 1iq4 h TYR 97 CO -0.01 0.79 0.19 0.93 -0.00 0.00 0.00 178.16 180.06 1iq4 h GLU 98 N 0.35 0.46 -0.24 4.88 5.08 -0.08 0.25 114.58 125.28 1iq4 h GLU 98 Ca 0.03 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1iq4 h GLU 98 Cb 0.91 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1iq4 h GLU 98 CO 0.08 0.37 0.05 0.35 -1.00 0.00 0.00 179.01 178.85 1iq4 h PHE 99 N 0.42 0.42 -0.69 4.33 3.57 -0.77 -2.74 116.94 121.49 1iq4 h PHE 99 Ca 0.12 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1iq4 h PHE 99 Cb 0.03 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 1iq4 h PHE 99 CO -0.03 0.51 0.36 1.25 -2.23 0.00 0.00 178.31 178.16 1iq4 h LEU 100 N 0.21 0.86 -0.14 0.59 5.85 -0.70 0.34 115.31 122.31 1iq4 h LEU 100 Ca 0.08 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1iq4 h LEU 100 Cb 0.31 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1iq4 h LEU 100 CO 0.00 0.70 0.09 -0.78 -0.34 0.00 0.00 178.44 178.12 1iq4 h ASP 101 N 0.96 0.17 -0.40 1.25 -0.00 -0.85 -1.00 116.42 116.55 1iq4 h ASP 101 Ca 0.24 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.03 57.20 1iq4 h ASP 101 Cb 0.05 -0.04 -0.02 0.00 -0.00 0.00 0.00 39.33 39.32 1iq4 h ASP 101 CO -0.04 0.13 0.05 0.11 -0.00 0.00 0.00 179.24 179.49 1iq4 h LYS 102 N 0.19 0.68 -0.28 0.28 1.57 -1.18 -2.12 116.57 115.71 1iq4 h LYS 102 Ca 0.05 -0.19 0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1iq4 h LYS 102 Cb -0.01 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 1iq4 h LYS 102 CO -0.01 0.74 0.05 1.25 -0.57 0.00 0.00 179.45 180.91 1iq4 h LEU 103 N 0.52 0.00 -0.11 2.94 5.85 -0.71 0.42 115.31 124.23 1iq4 h LEU 103 Ca 0.12 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1iq4 h LEU 103 Cb 0.40 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1iq4 h LEU 103 CO 0.01 0.04 0.02 0.40 -0.34 0.00 0.00 178.44 178.57 1iq4 h ILE 104 N 0.15 1.21 -0.54 4.05 2.04 -1.14 -0.65 117.51 122.63 1iq4 h ILE 104 Ca 0.13 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1iq4 h ILE 104 Cb 0.14 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1iq4 h ILE 104 CO -0.17 0.19 0.00 -1.54 0.00 0.00 0.00 178.15 176.62 1iq4 n SER 105 N -4.86 3.45 0.02 1.72 3.41 -0.80 -4.49 113.62 112.08 1iq4 n SER 105 Ca -0.06 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 1iq4 n SER 105 Cb 0.16 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1iq4 n SER 105 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1iq4 n VAL 106 N 1.07 0.00 -0.02 -3.33 0.31 0.13 -4.88 118.33 111.60 1iq4 n VAL 106 Ca 0.18 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.36 1iq4 n VAL 106 Cb 0.53 -0.46 -0.12 0.00 -0.91 0.00 0.00 33.84 32.88 1iq4 n VAL 106 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1iq4 h SER 107 N 0.00 0.22 -0.55 4.52 0.02 -0.99 -3.29 113.55 113.47 1iq4 h SER 107 Ca 0.00 -0.83 -0.06 0.00 -0.84 0.00 0.00 61.79 60.06 1iq4 h SER 107 Cb 0.00 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1iq4 h SER 107 CO 0.00 1.02 0.09 -0.07 -1.14 0.00 0.00 176.83 176.73 1iq4 h LEU 108 N -0.56 0.87 -0.15 5.07 3.38 -1.35 -2.57 115.31 120.00 1iq4 h LEU 108 Ca -0.04 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1iq4 h LEU 108 Cb 1.08 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1iq4 h LEU 108 CO 0.05 0.91 0.00 -2.65 0.09 0.00 0.00 178.44 176.84 1iq4 n PRO 109 N -4.36 0.02 0.00 1.13 -0.02 -1.26 -0.67 135.00 129.85 1iq4 n PRO 109 Ca 0.02 0.47 0.11 0.00 -2.02 0.00 0.00 63.50 62.08 1iq4 n PRO 109 Cb 0.26 -1.55 0.08 0.00 -0.02 0.00 0.00 33.50 32.27 1iq4 n PRO 109 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1iq4 n ARG 110 N -1.59 1.91 -1.03 -0.52 0.63 -0.97 -4.93 116.66 110.16 1iq4 n ARG 110 Ca 0.00 -1.69 -0.30 0.00 -0.92 0.00 0.00 57.85 54.94 1iq4 n ARG 110 Cb 0.04 -1.41 0.15 0.00 0.45 0.00 0.00 32.46 31.68 1iq4 n ARG 110 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1iq4 s ALA 111 N -1.83 1.46 0.10 5.13 0.00 0.16 -4.87 121.76 121.91 1iq4 s ALA 111 Ca 0.24 0.15 -0.31 0.00 0.00 0.00 0.00 51.96 52.04 1iq4 s ALA 111 Cb 0.18 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.95 1iq4 s ALA 111 CO 0.29 -2.48 1.29 -0.98 0.00 0.00 0.00 175.76 173.88 1iq4 s ARG 112 N -4.81 4.38 -1.55 0.00 1.04 -1.26 -3.27 118.95 113.49 1iq4 s ARG 112 Ca 0.64 1.94 -0.09 0.00 -1.04 0.00 0.00 55.73 57.18 1iq4 s ARG 112 Cb -0.20 -3.28 0.07 0.00 -2.04 0.00 0.00 34.95 29.50 1iq4 s ARG 112 CO 0.58 -0.33 0.60 -0.25 -0.04 0.00 0.00 175.30 175.86 1iq4 n ASP 113 N 3.76 -1.85 -4.70 -2.89 9.92 -1.26 -4.85 116.55 114.69 1iq4 n ASP 113 Ca 0.10 -1.00 -0.42 0.00 -0.53 0.00 0.00 54.79 52.93 1iq4 n ASP 113 Cb 0.44 -2.94 -0.03 0.00 -0.64 0.00 0.00 41.12 37.95 1iq4 n ASP 113 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1iq4 s PHE 114 N -3.65 3.16 -0.00 1.24 5.36 -1.20 -4.86 117.98 118.03 1iq4 s PHE 114 Ca 0.36 1.11 0.04 0.00 -0.96 0.00 0.00 56.93 57.48 1iq4 s PHE 114 Cb -0.19 -3.50 0.06 0.00 -0.34 0.00 0.00 43.02 39.05 1iq4 s PHE 114 CO 0.90 -1.67 1.02 0.54 -1.46 0.00 0.00 175.22 174.56 1iq4 n ARG 115 N 4.88 0.01 0.00 10.12 1.74 -1.26 -5.06 116.66 127.09 1iq4 n ARG 115 Ca 0.11 -1.15 0.00 0.00 -0.77 0.00 0.00 57.85 56.04 1iq4 n ARG 115 Cb 0.45 -0.44 0.00 0.00 -1.02 0.00 0.00 32.46 31.45 1iq4 n ARG 115 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iq4 n GLY 116 N 0.06 2.75 3.95 -0.13 0.00 -1.26 -4.37 105.19 106.19 1iq4 n GLY 116 Ca 0.01 -1.95 -0.23 0.00 0.00 0.00 0.00 46.02 43.85 1iq4 n GLY 116 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1iq4 s VAL 117 N -2.96 3.73 -0.01 1.61 -7.23 0.15 -4.30 120.40 111.39 1iq4 s VAL 117 Ca 0.00 -0.47 -0.28 0.00 -1.81 0.00 0.00 61.98 59.42 1iq4 s VAL 117 Cb 0.00 -3.39 -0.03 0.00 0.56 0.00 0.00 36.38 33.51 1iq4 s VAL 117 CO 0.00 -0.29 0.90 -0.55 -0.31 0.00 0.00 175.10 174.85 1iq4 s SER 118 N -4.26 7.27 0.05 4.85 0.15 -1.26 0.21 113.70 120.71 1iq4 s SER 118 Ca 0.50 1.54 0.19 0.00 0.70 0.00 0.00 55.95 58.88 1iq4 s SER 118 Cb -0.10 -2.53 0.79 0.00 -1.71 0.00 0.00 66.02 62.48 1iq4 s SER 118 CO 0.39 -0.20 1.60 0.29 1.20 0.00 0.00 173.24 176.51 1iq4 n LYS 119 N 3.77 0.04 0.03 5.44 5.02 -1.26 -3.45 118.16 127.76 1iq4 n LYS 119 Ca 0.04 0.23 -0.04 0.00 -2.02 0.00 0.00 58.31 56.52 1iq4 n LYS 119 Cb 0.51 -1.57 -0.10 0.00 -0.02 0.00 0.00 35.03 33.85 1iq4 n LYS 119 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1iq4 h LYS 120 N 0.00 0.00 -3.54 1.97 1.57 -1.97 -3.41 116.57 111.18 1iq4 h LYS 120 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 1iq4 h LYS 120 Cb 0.33 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.65 1iq4 h LYS 120 CO 0.00 0.52 2.09 -1.13 -0.57 0.00 0.00 179.45 180.36 1iq4 n SER 121 N -3.07 3.56 -4.64 0.86 3.41 -1.22 -4.81 113.62 107.69 1iq4 n SER 121 Ca -0.09 -2.22 -0.28 0.00 -0.26 0.00 0.00 58.87 56.02 1iq4 n SER 121 Cb 0.92 -0.92 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1iq4 n SER 121 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1iq4 s PHE 122 N 3.76 2.82 -0.35 7.33 0.40 -1.26 -2.40 117.98 128.28 1iq4 s PHE 122 Ca 0.29 -0.13 0.04 0.00 -0.60 0.00 0.00 56.93 56.52 1iq4 s PHE 122 Cb 0.08 -1.40 0.52 0.00 0.51 0.00 0.00 43.02 42.72 1iq4 s PHE 122 CO -0.02 0.49 1.69 -0.40 0.70 0.00 0.00 175.22 177.67 1iq4 n ASP 123 N 0.16 3.65 0.00 1.36 5.75 -0.54 -4.85 116.55 122.08 1iq4 n ASP 123 Ca -0.11 -3.19 0.00 0.00 -0.01 0.00 0.00 54.79 51.48 1iq4 n ASP 123 Cb 0.54 -0.75 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 1iq4 n ASP 123 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iq4 n GLY 124 N -0.67 0.16 0.21 6.12 0.00 -1.26 -4.67 105.19 105.08 1iq4 n GLY 124 Ca 0.44 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.55 1iq4 n GLY 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iq4 n ARG 125 N -2.00 1.40 -0.98 1.61 1.74 -1.26 -4.59 116.66 112.58 1iq4 n ARG 125 Ca 0.00 -2.73 0.00 0.00 -0.77 0.00 0.00 57.85 54.35 1iq4 n ARG 125 Cb 0.00 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 1iq4 n ARG 125 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iq4 n GLY 126 N -1.35 0.54 3.73 -0.13 0.00 -1.26 -4.80 105.19 101.92 1iq4 n GLY 126 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1iq4 n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1iq4 s ASN 127 N -2.24 6.03 -0.16 1.61 0.01 -1.26 -3.78 114.94 115.15 1iq4 s ASN 127 Ca 0.00 0.23 -0.06 0.00 -0.71 0.00 0.00 52.86 52.31 1iq4 s ASN 127 Cb 0.00 -2.02 -0.04 0.00 0.41 0.00 0.00 41.25 39.60 1iq4 s ASN 127 CO 0.00 0.23 0.05 -0.47 -1.51 0.00 0.00 177.10 175.40 1iq4 s TYR 128 N 0.05 3.26 -0.12 2.20 5.04 -0.36 -1.46 117.35 125.97 1iq4 s TYR 128 Ca 0.08 0.12 0.01 0.00 -2.44 0.00 0.00 57.07 54.84 1iq4 s TYR 128 Cb -0.12 -2.00 -0.02 0.00 0.35 0.00 0.00 41.96 40.17 1iq4 s TYR 128 CO -0.00 0.27 -0.13 0.99 -1.34 0.00 0.00 175.55 175.33 1iq4 s THR 129 N -0.02 3.03 -0.21 4.34 2.01 -1.01 0.35 115.64 124.15 1iq4 s THR 129 Ca 0.06 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.39 1iq4 s THR 129 Cb -0.12 -2.26 0.04 0.00 0.01 0.00 0.00 72.50 70.17 1iq4 s THR 129 CO 0.01 0.54 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.10 1iq4 s LEU 130 N 0.17 2.57 -0.07 4.42 2.96 0.18 -4.85 118.68 124.06 1iq4 s LEU 130 Ca -0.07 -0.92 -0.22 0.00 -0.22 0.00 0.00 54.13 52.70 1iq4 s LEU 130 Cb -0.15 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 1iq4 s LEU 130 CO 0.05 -0.08 0.62 -0.83 -1.32 0.00 0.00 176.35 174.79 1iq4 s GLY 131 N 1.24 2.56 -0.27 7.98 0.00 -1.26 -0.84 107.32 116.72 1iq4 s GLY 131 Ca -0.00 0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.75 1iq4 s GLY 131 CO -0.10 1.01 -0.07 -0.42 0.00 0.00 0.00 173.10 173.52 1iq4 s ILE 132 N 0.61 2.54 0.29 0.90 1.01 0.19 -4.99 121.20 121.75 1iq4 s ILE 132 Ca 0.33 -1.45 0.03 0.00 0.00 0.00 0.00 60.65 59.56 1iq4 s ILE 132 Cb -0.17 -2.44 0.08 0.00 0.01 0.00 0.00 42.46 39.94 1iq4 s ILE 132 CO 0.16 -0.01 1.75 0.11 0.00 0.00 0.00 174.94 176.95 1iq4 h LYS 133 N 7.89 0.47 -4.04 2.79 1.79 -1.89 -0.45 116.57 123.13 1iq4 h LYS 133 Ca -0.22 -0.16 -0.42 0.00 -2.18 0.00 0.00 60.65 57.66 1iq4 h LYS 133 Cb 1.06 -0.03 -0.34 0.00 -1.58 0.00 0.00 32.23 31.33 1iq4 h LYS 133 CO 0.51 0.66 -0.78 -1.21 -1.08 0.00 0.00 179.45 177.55 1iq4 s GLU 134 N -4.56 0.90 0.40 3.15 2.02 -1.26 -3.62 118.70 115.73 1iq4 s GLU 134 Ca -0.07 -0.12 0.28 0.00 0.02 0.00 0.00 54.97 55.09 1iq4 s GLU 134 Cb 0.14 -0.92 1.25 0.00 0.10 0.00 0.00 34.13 34.70 1iq4 s GLU 134 CO 0.78 -0.10 1.85 -0.56 0.02 0.00 0.00 175.26 177.26 1iq4 h GLN 135 N 7.30 0.00 -0.02 1.61 -0.00 -1.42 -2.85 115.11 119.74 1iq4 h GLN 135 Ca -0.35 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.30 1iq4 h GLN 135 Cb 1.15 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.63 1iq4 h GLN 135 CO 0.45 0.00 0.18 -0.07 -0.00 0.00 0.00 178.83 179.39 1iq4 h LEU 136 N 0.00 0.00 -1.92 0.06 3.38 -1.94 -2.37 115.31 112.52 1iq4 h LEU 136 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iq4 h LEU 136 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1iq4 h LEU 136 CO 0.00 0.00 -0.02 0.16 0.09 0.00 0.00 178.44 178.67 1iq4 h ILE 137 N 0.00 0.05 -3.33 1.22 3.07 -1.84 -3.42 117.51 113.27 1iq4 h ILE 137 Ca 0.01 -0.39 -0.57 0.00 1.55 0.00 0.00 64.86 65.46 1iq4 h ILE 137 Cb 0.38 1.36 -0.06 0.00 -0.27 0.00 0.00 36.82 38.23 1iq4 h ILE 137 CO -0.00 0.01 0.32 -0.36 -1.05 0.00 0.00 178.15 177.08 1iq4 s PHE 138 N -3.84 3.46 0.52 0.16 0.40 -0.89 -4.62 117.98 113.17 1iq4 s PHE 138 Ca -0.01 1.27 0.41 0.00 -0.60 0.00 0.00 56.93 58.01 1iq4 s PHE 138 Cb 0.10 -2.98 2.22 0.00 0.51 0.00 0.00 43.02 42.88 1iq4 s PHE 138 CO 0.51 -0.16 2.27 -1.00 0.70 0.00 0.00 175.22 177.53 1iq4 h PRO 139 N 7.20 0.00 0.00 0.24 0.13 -1.90 -1.70 132.00 135.98 1iq4 h PRO 139 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1iq4 h PRO 139 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1iq4 h PRO 139 CO 0.81 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.51 1iq4 h GLU 140 N 0.00 0.00 -5.58 0.86 3.07 -1.92 -3.42 114.58 107.59 1iq4 h GLU 140 Ca 0.00 0.00 -0.61 0.00 -0.50 0.00 0.00 59.36 58.25 1iq4 h GLU 140 Cb 0.04 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 27.86 1iq4 h GLU 140 CO 0.00 0.00 -0.35 0.42 -1.40 0.00 0.00 179.01 177.68 1iq4 s ILE 141 N -3.52 5.31 -0.30 3.13 -1.09 -0.64 -4.89 121.20 119.19 1iq4 s ILE 141 Ca 0.02 0.50 -0.10 0.00 -2.23 0.00 0.00 60.65 58.84 1iq4 s ILE 141 Cb 0.09 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 37.36 1iq4 s ILE 141 CO 0.43 0.46 0.17 -0.62 -1.23 0.00 0.00 174.94 174.15 1iq4 s ASP 142 N -0.03 5.73 0.31 3.58 -1.08 -1.26 -4.92 116.67 118.99 1iq4 s ASP 142 Ca 0.17 -0.32 0.08 0.00 -0.52 0.00 0.00 52.55 51.96 1iq4 s ASP 142 Cb -0.13 -2.05 0.84 0.00 -1.46 0.00 0.00 42.92 40.12 1iq4 s ASP 142 CO 0.05 -0.14 1.73 0.22 0.52 0.00 0.00 175.17 177.54 1iq4 h TYR 143 N 8.37 0.94 0.00 -5.34 3.20 -1.96 0.41 116.97 122.59 1iq4 h TYR 143 Ca -0.34 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.57 1iq4 h TYR 143 Cb 1.16 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.17 1iq4 h TYR 143 CO 0.68 0.05 0.00 -0.25 -1.64 0.00 0.00 178.16 177.00 1iq4 n ASP 144 N -4.91 0.26 -0.68 -2.11 10.43 -1.26 -1.96 116.55 116.32 1iq4 n ASP 144 Ca 0.26 0.57 0.06 0.00 2.57 0.00 0.00 54.79 58.25 1iq4 n ASP 144 Cb 0.71 -0.63 0.17 0.00 1.84 0.00 0.00 41.12 43.21 1iq4 n ASP 144 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1iq4 n LYS 145 N -1.80 2.88 -3.69 -1.24 4.76 0.13 -4.99 118.16 114.21 1iq4 n LYS 145 Ca 0.02 -2.12 -0.36 0.00 -2.87 0.00 0.00 58.31 52.98 1iq4 n LYS 145 Cb 0.15 -1.32 -0.09 0.00 -1.84 0.00 0.00 35.03 31.94 1iq4 n LYS 145 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1iq4 s VAL 146 N -1.11 5.38 -2.75 -0.18 1.01 -0.83 -4.97 120.40 116.95 1iq4 s VAL 146 Ca 0.25 0.19 0.24 0.00 0.00 0.00 0.00 61.98 62.66 1iq4 s VAL 146 Cb 0.14 -3.49 0.16 0.00 0.00 0.00 0.00 36.38 33.19 1iq4 s VAL 146 CO 0.16 0.39 1.25 -0.46 0.00 0.00 0.00 175.10 176.44 1iq4 n ASN 147 N 3.92 2.70 -3.64 3.32 0.23 -1.26 -4.93 115.26 115.59 1iq4 n ASN 147 Ca -0.15 -1.86 -0.08 0.00 -0.53 0.00 0.00 54.58 51.96 1iq4 n ASN 147 Cb 0.52 0.11 -0.07 0.00 -2.08 0.00 0.00 39.78 38.26 1iq4 n ASN 147 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1iq4 s LYS 148 N -2.11 0.50 -0.05 -3.83 2.20 -1.26 -5.12 119.74 110.08 1iq4 s LYS 148 Ca 0.26 0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 56.23 1iq4 s LYS 148 Cb 0.20 0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 36.69 1iq4 s LYS 148 CO 0.36 -0.07 1.31 0.08 -0.36 0.00 0.00 175.35 176.68 1iq4 s VAL 149 N 0.51 4.01 -0.05 4.02 1.01 -1.26 -4.99 120.40 123.65 1iq4 s VAL 149 Ca 0.00 1.34 0.05 0.00 0.00 0.00 0.00 61.98 63.36 1iq4 s VAL 149 Cb -0.05 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1iq4 s VAL 149 CO -0.08 -0.03 -0.18 -0.13 0.00 0.00 0.00 175.10 174.68 1iq4 s ARG 150 N 2.58 2.46 0.54 2.72 0.52 -1.26 -4.98 118.95 121.54 1iq4 s ARG 150 Ca 0.60 -0.78 -0.02 0.00 -0.52 0.00 0.00 55.73 55.01 1iq4 s ARG 150 Cb -0.27 -2.28 0.02 0.00 0.52 0.00 0.00 34.95 32.93 1iq4 s ARG 150 CO 0.23 0.56 0.80 0.20 0.02 0.00 0.00 175.30 177.10 1iq4 s GLY 151 N -0.57 1.67 0.30 -3.53 0.00 -1.24 -1.14 107.32 102.81 1iq4 s GLY 151 Ca 0.08 -1.04 -0.18 0.00 0.00 0.00 0.00 44.72 43.58 1iq4 s GLY 151 CO 0.01 -0.78 0.70 -3.16 0.00 0.00 0.00 173.10 169.86 1iq4 s MET 152 N -4.80 1.87 0.01 2.90 0.23 -0.18 -4.57 119.30 114.76 1iq4 s MET 152 Ca 0.54 -1.16 -0.08 0.00 -1.03 0.00 0.00 55.69 53.96 1iq4 s MET 152 Cb -0.10 0.59 0.00 0.00 -1.53 0.00 0.00 34.83 33.79 1iq4 s MET 152 CO 0.41 -0.85 0.16 0.16 -2.03 0.00 0.00 175.02 172.86 1iq4 s ASP 153 N -2.98 0.01 -0.10 -1.18 -4.77 -0.53 -0.64 116.67 106.49 1iq4 s ASP 153 Ca 0.14 -0.22 0.02 0.00 -3.30 0.00 0.00 52.55 49.20 1iq4 s ASP 153 Cb -0.05 0.23 0.01 0.00 -1.09 0.00 0.00 42.92 42.02 1iq4 s ASP 153 CO 0.09 -0.41 -0.18 -0.63 0.70 0.00 0.00 175.17 174.74 1iq4 s ILE 154 N -1.60 1.63 -0.22 2.11 1.01 -0.02 -0.70 121.20 123.39 1iq4 s ILE 154 Ca -0.13 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 1iq4 s ILE 154 Cb -0.06 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 40.97 1iq4 s ILE 154 CO 0.01 0.47 -0.09 -0.69 0.00 0.00 0.00 174.94 174.63 1iq4 s VAL 155 N 0.76 2.80 -0.48 2.92 1.01 -0.19 0.52 120.40 127.73 1iq4 s VAL 155 Ca -0.11 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 60.82 1iq4 s VAL 155 Cb -0.16 -2.33 0.05 0.00 0.00 0.00 0.00 36.38 33.95 1iq4 s VAL 155 CO 0.02 0.34 0.54 -0.63 0.00 0.00 0.00 175.10 175.37 1iq4 s ILE 156 N 1.35 4.99 -0.15 2.22 1.01 0.16 -1.25 121.20 129.53 1iq4 s ILE 156 Ca 0.03 -0.58 -0.23 0.00 0.00 0.00 0.00 60.65 59.87 1iq4 s ILE 156 Cb -0.15 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.08 1iq4 s ILE 156 CO -0.06 -0.68 0.72 -0.69 0.00 0.00 0.00 174.94 174.23 1iq4 s VAL 157 N 2.32 4.98 0.34 2.92 1.01 -0.06 -1.22 120.40 130.69 1iq4 s VAL 157 Ca 0.12 1.41 0.09 0.00 0.00 0.00 0.00 61.98 63.59 1iq4 s VAL 157 Cb -0.20 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.08 1iq4 s VAL 157 CO 0.11 0.12 -0.07 0.42 0.00 0.00 0.00 175.10 175.68 1iq4 s THR 158 N 1.70 2.09 -1.27 3.92 -4.23 -1.25 -0.13 115.64 116.47 1iq4 s THR 158 Ca 0.34 -2.16 0.17 0.00 -1.18 0.00 0.00 61.69 58.87 1iq4 s THR 158 Cb -0.17 -2.67 0.66 0.00 1.34 0.00 0.00 72.50 71.67 1iq4 s THR 158 CO 0.13 -0.18 1.56 0.35 -0.54 0.00 0.00 174.62 175.93 1iq4 n THR 159 N -0.78 1.61 -2.31 3.99 -2.24 -0.54 -4.76 114.28 109.24 1iq4 n THR 159 Ca -0.05 -1.06 -0.39 0.00 -2.27 0.00 0.00 64.05 60.28 1iq4 n THR 159 Cb 0.64 0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 1iq4 n THR 159 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iq4 s ALA 160 N -1.75 3.23 0.14 6.98 0.00 -1.26 -4.75 121.76 124.34 1iq4 s ALA 160 Ca 0.47 0.98 -0.05 0.00 0.00 0.00 0.00 51.96 53.37 1iq4 s ALA 160 Cb 0.30 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.99 1iq4 s ALA 160 CO 0.24 -0.48 1.35 -0.91 0.00 0.00 0.00 175.76 175.96 1iq4 h ASN 161 N 2.89 0.59 -4.29 0.00 2.35 -1.92 -3.39 115.58 111.80 1iq4 h ASN 161 Ca -0.48 -0.42 -0.52 0.00 -0.55 0.00 0.00 56.30 54.33 1iq4 h ASN 161 Cb 1.23 -0.18 -0.24 0.00 0.05 0.00 0.00 38.32 39.18 1iq4 h ASN 161 CO 0.63 1.20 -0.82 0.28 -1.65 0.00 0.00 177.43 177.07 1iq4 s THR 162 N -3.48 1.46 0.21 2.81 -1.32 -1.26 -4.57 115.64 109.48 1iq4 s THR 162 Ca -0.07 -1.23 -0.13 0.00 -1.21 0.00 0.00 61.69 59.06 1iq4 s THR 162 Cb 0.09 -1.31 0.21 0.00 -1.51 0.00 0.00 72.50 69.99 1iq4 s THR 162 CO 0.86 0.04 1.64 0.44 -2.21 0.00 0.00 174.62 175.40 1iq4 h ASP 163 N 4.65 -0.47 -1.07 8.08 3.32 -1.88 0.19 116.42 129.24 1iq4 h ASP 163 Ca -0.42 0.17 0.31 0.00 0.02 0.00 0.00 57.03 57.11 1iq4 h ASP 163 Cb 1.17 0.34 -0.12 0.00 0.22 0.00 0.00 39.33 40.94 1iq4 h ASP 163 CO 0.42 -0.17 0.66 -0.08 -1.72 0.00 0.00 179.24 178.35 1iq4 h GLU 164 N 0.03 0.34 0.02 3.56 4.22 -1.98 1.55 114.58 122.32 1iq4 h GLU 164 Ca 0.30 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.72 1iq4 h GLU 164 Cb 0.47 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1iq4 h GLU 164 CO -0.59 0.23 -0.01 0.93 -2.18 0.00 0.00 179.01 177.39 1iq4 h GLU 165 N 0.35 -0.03 -0.73 1.92 5.08 -1.09 -2.21 114.58 117.88 1iq4 h GLU 165 Ca 0.69 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 59.20 1iq4 h GLU 165 Cb 1.70 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.85 1iq4 h GLU 165 CO -0.45 0.62 0.21 0.00 -1.00 0.00 0.00 179.01 178.39 1iq4 h ALA 166 N 0.22 0.96 0.11 3.43 0.00 0.71 0.86 119.26 125.55 1iq4 h ALA 166 Ca -0.00 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1iq4 h ALA 166 Cb 0.66 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1iq4 h ALA 166 CO 0.01 -0.30 -0.23 -0.09 0.00 0.00 0.00 179.25 178.64 1iq4 h ARG 167 N 0.32 -0.41 -0.30 0.00 9.65 0.20 -1.53 114.38 122.31 1iq4 h ARG 167 Ca 0.40 0.03 0.06 0.00 -1.10 0.00 0.00 59.98 59.37 1iq4 h ARG 167 Cb 0.66 0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 29.28 1iq4 h ARG 167 CO -0.46 -0.27 -0.07 0.93 2.80 0.00 0.00 179.97 182.90 1iq4 h GLU 168 N -0.43 0.01 0.09 0.20 4.39 -0.44 0.33 114.58 118.73 1iq4 h GLU 168 Ca 0.03 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.75 1iq4 h GLU 168 Cb 0.45 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.05 1iq4 h GLU 168 CO -0.14 0.01 -0.53 1.25 -1.16 0.00 0.00 179.01 178.44 1iq4 h LEU 169 N 0.01 -1.61 -0.51 1.33 5.85 -0.60 0.32 115.31 120.10 1iq4 h LEU 169 Ca 0.14 0.17 0.03 0.00 0.84 0.00 0.00 57.88 59.06 1iq4 h LEU 169 Cb 0.22 0.60 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1iq4 h LEU 169 CO -0.30 -0.55 0.30 -0.07 -0.34 0.00 0.00 178.44 177.48 1iq4 h LEU 170 N -0.73 0.47 -0.06 2.25 3.38 -0.94 0.31 115.31 119.99 1iq4 h LEU 170 Ca -0.00 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1iq4 h LEU 170 Cb 0.75 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1iq4 h LEU 170 CO -0.31 0.33 -0.17 0.00 0.09 0.00 0.00 178.44 178.39 1iq4 h ALA 171 N 1.23 -0.16 -0.01 1.53 0.00 0.06 -0.68 119.26 121.24 1iq4 h ALA 171 Ca 0.21 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1iq4 h ALA 171 Cb 0.03 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1iq4 h ALA 171 CO -0.10 -0.64 0.01 -0.07 0.00 0.00 0.00 179.25 178.45 1iq4 h LEU 172 N -0.25 0.01 -0.24 0.00 3.38 0.29 -1.08 115.31 117.42 1iq4 h LEU 172 Ca 0.07 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1iq4 h LEU 172 Cb 0.35 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1iq4 h LEU 172 CO -0.20 0.01 -0.08 -0.07 0.09 0.00 0.00 178.44 178.19 1iq4 h LEU 173 N 0.01 0.00 0.00 1.67 3.38 0.26 -3.47 115.31 117.15 1iq4 h LEU 173 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1iq4 h LEU 173 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1iq4 h LEU 173 CO -0.00 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.22 1iq4 n GLY 174 N 0.94 0.75 3.67 0.83 0.00 -0.38 -5.08 105.19 105.92 1iq4 n GLY 174 Ca 0.03 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.57 1iq4 n GLY 174 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1iq4 n MET 175 N 0.00 2.14 -2.16 1.61 0.00 -0.54 -4.82 117.12 113.35 1iq4 n MET 175 Ca 0.00 0.78 -0.32 0.00 0.00 0.00 0.00 57.70 58.16 1iq4 n MET 175 Cb 0.00 -2.66 -0.05 0.00 0.00 0.00 0.00 33.22 30.51 1iq4 n MET 175 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1iq4 n PRO 176 N 6.80 1.98 -2.49 2.12 -0.04 -1.26 -4.63 135.00 137.47 1iq4 n PRO 176 Ca 0.23 -2.65 -0.42 0.00 -0.04 0.00 0.00 63.50 60.63 1iq4 n PRO 176 Cb 0.30 -3.66 -0.03 0.00 -0.04 0.00 0.00 33.50 30.07 1iq4 n PRO 176 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1iq4 s PHE 177 N 9.34 3.48 -0.49 0.54 0.40 -1.26 0.33 117.98 130.31 1iq4 s PHE 177 Ca 0.65 1.39 -0.28 0.00 -0.60 0.00 0.00 56.93 58.09 1iq4 s PHE 177 Cb 0.01 -3.35 -0.00 0.00 0.51 0.00 0.00 43.02 40.19 1iq4 s PHE 177 CO 0.12 -0.98 1.62 1.14 0.70 0.00 0.00 175.22 177.82 1iq4 s GLN 178 N 1.12 3.19 0.00 0.44 -2.07 0.57 -4.66 119.66 118.25 1iq4 s GLN 178 Ca 0.57 0.81 0.30 0.00 -1.82 0.00 0.00 55.36 55.22 1iq4 s GLN 178 Cb -0.27 -4.19 1.58 0.00 -1.09 0.00 0.00 33.01 29.04 1iq4 s GLN 178 CO 0.28 -2.05 2.04 0.36 -1.32 0.00 0.00 175.29 174.60