#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iq3 s SER 2 N 0.00 3.20 0.00 1.61 1.04 -1.26 -4.96 113.70 113.33 1iq3 s SER 2 Ca 0.00 -0.62 0.12 0.00 0.48 0.00 0.00 55.95 55.93 1iq3 s SER 2 Cb 0.00 -1.49 0.01 0.00 0.10 0.00 0.00 66.02 64.64 1iq3 s SER 2 CO 0.00 0.02 0.72 0.18 0.98 0.00 0.00 173.24 175.14 1iq3 n LEU 3 N 4.50 1.41 -4.64 2.42 4.32 -1.26 -4.95 117.00 118.81 1iq3 n LEU 3 Ca -0.21 -0.79 -0.43 0.00 -0.02 0.00 0.00 56.01 54.56 1iq3 n LEU 3 Cb 0.50 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.28 1iq3 n LEU 3 CO 0.26 0.28 1.12 -1.10 -1.22 0.00 0.00 177.39 176.73 1iq3 s GLN 4 N -1.46 4.01 -0.45 3.23 1.11 -1.26 -4.89 119.66 119.95 1iq3 s GLN 4 Ca 0.10 1.38 0.07 0.00 0.01 0.00 0.00 55.36 56.93 1iq3 s GLN 4 Cb 0.10 -3.84 0.29 0.00 -1.01 0.00 0.00 33.01 28.54 1iq3 s GLN 4 CO 0.28 -0.99 0.92 -3.47 0.01 0.00 0.00 175.29 172.03 1iq3 n ASP 5 N 7.32 -1.70 -0.59 5.90 2.03 -1.26 -5.13 116.55 123.12 1iq3 n ASP 5 Ca 0.15 -3.36 0.00 0.00 0.52 0.00 0.00 54.79 52.10 1iq3 n ASP 5 Cb 0.46 1.19 0.00 0.00 -0.72 0.00 0.00 41.12 42.05 1iq3 n ASP 5 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1iq3 n ASN 6 N 0.85 1.11 -3.38 1.67 0.23 -1.26 -4.94 115.26 109.54 1iq3 n ASN 6 Ca 0.12 -0.38 -0.14 0.00 -0.53 0.00 0.00 54.58 53.64 1iq3 n ASN 6 Cb 0.65 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.37 1iq3 n ASN 6 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1iq3 n SER 7 N -0.72 -6.49 -0.66 0.53 2.88 -1.26 -4.91 113.62 102.99 1iq3 n SER 7 Ca 0.00 -0.56 0.06 0.00 -1.33 0.00 0.00 58.87 57.04 1iq3 n SER 7 Cb 0.00 -4.12 0.16 0.00 -0.75 0.00 0.00 64.21 59.51 1iq3 n SER 7 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1iq3 n SER 8 N -2.35 3.04 -3.64 -3.46 2.88 -1.26 -4.97 113.62 103.86 1iq3 n SER 8 Ca -0.10 -2.14 -0.22 0.00 -1.33 0.00 0.00 58.87 55.09 1iq3 n SER 8 Cb 0.58 -0.27 0.06 0.00 -0.75 0.00 0.00 64.21 63.82 1iq3 n SER 8 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1iq3 n TYR 9 N 0.36 -2.24 -2.48 0.66 4.02 -1.26 -4.94 117.16 111.29 1iq3 n TYR 9 Ca 0.13 0.91 -0.37 0.00 -0.01 0.00 0.00 57.90 58.56 1iq3 n TYR 9 Cb 0.49 -4.64 -0.04 0.00 -0.02 0.00 0.00 39.34 35.13 1iq3 n TYR 9 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1iq3 s PRO 10 N -5.97 4.18 -0.02 -0.72 0.04 -1.26 -4.44 135.00 126.80 1iq3 s PRO 10 Ca 0.22 1.61 -0.01 0.00 0.04 0.00 0.00 61.00 62.86 1iq3 s PRO 10 Cb -0.10 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.81 1iq3 s PRO 10 CO 0.78 -0.15 0.01 -0.25 0.04 0.00 0.00 177.00 177.43 1iq3 n ASP 11 N 0.07 -6.83 0.10 6.66 8.00 -1.26 -4.94 116.55 118.35 1iq3 n ASP 11 Ca 0.04 0.78 0.00 0.00 0.71 0.00 0.00 54.79 56.32 1iq3 n ASP 11 Cb 0.48 -1.93 0.00 0.00 -0.02 0.00 0.00 41.12 39.65 1iq3 n ASP 11 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1iq3 n GLU 12 N 1.91 0.00 -0.02 -1.24 1.02 -1.26 -4.79 120.64 116.26 1iq3 n GLU 12 Ca -0.02 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.02 1iq3 n GLU 12 Cb 0.24 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.62 1iq3 n GLU 12 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1iq3 h PRO 13 N 0.00 0.10 0.00 3.49 0.13 -1.92 -3.35 132.00 130.45 1iq3 h PRO 13 Ca 0.00 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1iq3 h PRO 13 Cb 0.00 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.10 1iq3 h PRO 13 CO 0.00 0.07 -0.90 0.91 -0.23 0.00 0.00 178.00 177.85 1iq3 n TRP 14 N -5.07 0.58 -3.43 1.56 8.01 -1.26 -5.01 117.44 112.81 1iq3 n TRP 14 Ca -0.04 0.25 -0.30 0.00 -1.31 0.00 0.00 57.50 56.10 1iq3 n TRP 14 Cb 0.06 -0.74 0.02 0.00 -2.01 0.00 0.00 31.31 28.65 1iq3 n TRP 14 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 1iq3 n ARG 15 N -4.52 -1.59 0.00 -0.99 5.12 -1.26 -4.94 116.66 108.48 1iq3 n ARG 15 Ca -0.15 1.03 0.00 0.00 -1.93 0.00 0.00 57.85 56.79 1iq3 n ARG 15 Cb 0.44 -1.87 0.00 0.00 -1.16 0.00 0.00 32.46 29.87 1iq3 n ARG 15 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1iq3 n ILE 16 N -1.09 0.00 -2.43 0.55 -0.00 -1.26 -4.94 119.36 110.19 1iq3 n ILE 16 Ca -0.17 0.00 -0.38 0.00 -0.00 0.00 0.00 62.75 62.20 1iq3 n ILE 16 Cb 0.62 -1.73 0.02 0.00 -0.00 0.00 0.00 39.64 38.55 1iq3 n ILE 16 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 1iq3 n THR 17 N -0.91 4.81 -2.09 7.28 -2.24 -1.26 -4.81 114.28 115.06 1iq3 n THR 17 Ca 0.00 -5.35 0.00 0.00 -2.27 0.00 0.00 64.05 56.43 1iq3 n THR 17 Cb 0.00 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 66.81 1iq3 n THR 17 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1iq3 n GLU 18 N -0.26 -2.47 -0.00 -0.78 0.28 -1.26 -4.56 120.64 111.59 1iq3 n GLU 18 Ca 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.48 1iq3 n GLU 18 Cb 0.29 -4.20 -0.01 0.00 1.43 0.00 0.00 31.44 28.95 1iq3 n GLU 18 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1iq3 n GLU 19 N -2.07 0.69 -0.02 3.44 -0.58 -1.26 -4.49 120.64 116.35 1iq3 n GLU 19 Ca 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1iq3 n GLU 19 Cb 0.37 -0.97 -0.05 0.00 -0.57 0.00 0.00 31.44 30.21 1iq3 n GLU 19 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1iq3 n GLN 20 N -1.48 1.46 0.11 3.49 6.02 -1.26 -4.49 117.38 121.23 1iq3 n GLN 20 Ca -0.00 -0.04 -0.03 0.00 -0.01 0.00 0.00 57.00 56.93 1iq3 n GLN 20 Cb 0.02 -1.17 0.06 0.00 1.02 0.00 0.00 30.24 30.17 1iq3 n GLN 20 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1iq3 h ARG 21 N 0.00 0.00 0.00 -1.09 2.43 -1.93 -3.04 114.38 110.76 1iq3 h ARG 21 Ca -0.08 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.01 1iq3 h ARG 21 Cb 0.83 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 1iq3 h ARG 21 CO 0.00 0.74 -0.39 0.93 -1.51 0.00 0.00 179.97 179.74 1iq3 h GLU 22 N 0.00 0.00 -0.05 0.20 4.39 -1.79 -2.90 114.58 114.42 1iq3 h GLU 22 Ca -0.01 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 1iq3 h GLU 22 Cb 1.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1iq3 h GLU 22 CO 0.10 0.39 -0.28 -0.92 -1.16 0.00 0.00 179.01 177.14 1iq3 h TYR 23 N 0.00 0.38 -0.28 4.33 5.03 -1.76 -2.38 116.97 122.29 1iq3 h TYR 23 Ca -0.00 -0.17 0.05 0.00 2.58 0.00 0.00 58.73 61.19 1iq3 h TYR 23 Cb 0.77 -0.06 -0.05 0.00 1.55 0.00 0.00 36.73 38.95 1iq3 h TYR 23 CO 0.00 0.90 -0.02 1.88 -1.32 0.00 0.00 178.16 179.61 1iq3 h TYR 24 N -0.26 -0.05 -0.31 -3.82 0.05 -1.47 -0.83 116.97 110.28 1iq3 h TYR 24 Ca -0.02 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 1iq3 h TYR 24 Cb 0.94 0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.73 1iq3 h TYR 24 CO 0.14 -0.06 0.06 0.28 -1.05 0.00 0.00 178.16 177.52 1iq3 h VAL 25 N 0.06 1.16 0.00 -2.88 2.07 -1.57 -1.34 116.25 113.75 1iq3 h VAL 25 Ca 0.13 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1iq3 h VAL 25 Cb 0.18 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1iq3 h VAL 25 CO -0.24 0.20 -0.10 -1.13 0.02 0.00 0.00 177.57 176.32 1iq3 h ASN 26 N 0.45 0.00 0.12 0.57 -0.73 -0.64 -2.84 115.58 112.51 1iq3 h ASN 26 Ca 0.11 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.27 1iq3 h ASN 26 Cb 0.20 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.79 1iq3 h ASN 26 CO -0.00 0.10 -0.06 -0.61 -0.37 0.00 0.00 177.43 176.49 1iq3 h GLN 27 N 0.00 -0.16 -0.86 6.67 5.75 -0.18 -3.09 115.11 123.24 1iq3 h GLN 27 Ca -0.00 0.01 0.25 0.00 -0.15 0.00 0.00 58.65 58.76 1iq3 h GLN 27 Cb 0.54 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.09 1iq3 h GLN 27 CO 0.01 0.08 0.64 0.35 -2.65 0.00 0.00 178.83 177.27 1iq3 h PHE 28 N -1.01 0.00 -0.33 3.99 3.04 -1.52 0.10 116.94 121.21 1iq3 h PHE 28 Ca -0.02 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.88 1iq3 h PHE 28 Cb 0.31 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.81 1iq3 h PHE 28 CO 0.05 0.00 -0.02 -0.09 -2.02 0.00 0.00 178.31 176.23 1iq3 h ARG 29 N 0.00 0.60 -0.90 1.11 2.43 -1.52 0.66 114.38 116.76 1iq3 h ARG 29 Ca 0.41 -0.20 0.22 0.00 -0.81 0.00 0.00 59.98 59.60 1iq3 h ARG 29 Cb 1.69 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 31.13 1iq3 h ARG 29 CO -0.00 0.73 0.61 0.77 -1.51 0.00 0.00 179.97 180.57 1iq3 h SER 30 N 0.40 0.27 0.87 -3.80 0.02 -0.70 0.31 113.55 110.92 1iq3 h SER 30 Ca 0.09 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 1iq3 h SER 30 Cb 0.48 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1iq3 h SER 30 CO 0.02 0.10 -1.18 -0.07 -1.14 0.00 0.00 176.83 174.56 1iq3 h LEU 31 N 0.27 0.00 -7.98 5.07 3.38 -1.43 -3.44 115.31 111.19 1iq3 h LEU 31 Ca 0.46 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.75 1iq3 h LEU 31 Cb 1.35 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.76 1iq3 h LEU 31 CO -0.13 0.27 -0.76 -1.10 0.09 0.00 0.00 178.44 176.81 1iq3 s GLN 32 N -3.16 2.43 0.49 1.13 -1.52 0.11 -4.97 119.66 114.18 1iq3 s GLN 32 Ca -0.02 -1.24 0.28 0.00 -1.95 0.00 0.00 55.36 52.43 1iq3 s GLN 32 Cb 0.09 -3.00 1.36 0.00 -0.22 0.00 0.00 33.01 31.24 1iq3 s GLN 32 CO 0.80 -0.55 1.86 -1.35 -0.25 0.00 0.00 175.29 175.80 1iq3 h PRO 33 N 7.90 0.13 -5.20 2.91 0.11 -1.85 -3.37 132.00 132.63 1iq3 h PRO 33 Ca -0.23 -0.01 -0.64 0.00 0.11 0.00 0.00 66.00 65.24 1iq3 h PRO 33 Cb 1.06 -0.03 -0.15 0.00 0.11 0.00 0.00 31.00 31.99 1iq3 h PRO 33 CO 0.51 0.09 -0.12 -0.51 -0.21 0.00 0.00 178.00 177.76 1iq3 s ASP 34 N -5.52 6.31 0.16 -2.05 1.01 -1.26 -4.96 116.67 110.36 1iq3 s ASP 34 Ca -0.06 0.13 -0.18 0.00 0.71 0.00 0.00 52.55 53.16 1iq3 s ASP 34 Cb 0.22 -2.25 0.07 0.00 1.01 0.00 0.00 42.92 41.98 1iq3 s ASP 34 CO 0.78 -0.35 1.67 -0.65 0.21 0.00 0.00 175.17 176.83 1iq3 h PRO 35 N 8.30 -0.01 -2.40 8.23 0.11 -1.92 -2.56 132.00 141.75 1iq3 h PRO 35 Ca -0.29 0.00 -0.79 0.00 0.11 0.00 0.00 66.00 65.03 1iq3 h PRO 35 Cb 1.14 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.03 1iq3 h PRO 35 CO 0.72 -0.01 1.43 -1.13 -0.21 0.00 0.00 178.00 178.80 1iq3 n SER 36 N -5.30 7.49 -4.01 -2.05 3.41 -1.26 -4.86 113.62 107.04 1iq3 n SER 36 Ca 0.01 -3.52 -0.23 0.00 -0.26 0.00 0.00 58.87 54.88 1iq3 n SER 36 Cb 0.21 -1.23 -0.08 0.00 -0.26 0.00 0.00 64.21 62.84 1iq3 n SER 36 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1iq3 s SER 37 N -0.85 2.35 0.20 4.04 0.01 -0.97 -4.91 113.70 113.57 1iq3 s SER 37 Ca 0.43 -1.64 0.07 0.00 1.31 0.00 0.00 55.95 56.11 1iq3 s SER 37 Cb 0.18 0.45 -0.04 0.00 0.21 0.00 0.00 66.02 66.83 1iq3 s SER 37 CO -0.11 -0.92 0.10 0.72 0.41 0.00 0.00 173.24 173.44 1iq3 s PHE 38 N -3.33 3.02 0.37 2.43 -0.12 -1.26 -2.03 117.98 117.06 1iq3 s PHE 38 Ca 0.29 -0.09 -0.00 0.00 -0.05 0.00 0.00 56.93 57.08 1iq3 s PHE 38 Cb 0.03 -1.42 -0.03 0.00 -0.63 0.00 0.00 43.02 40.97 1iq3 s PHE 38 CO 0.17 0.53 0.59 0.42 -0.05 0.00 0.00 175.22 176.88 1iq3 s ILE 39 N -1.89 5.04 -0.00 -4.49 1.01 -0.69 -4.81 121.20 115.35 1iq3 s ILE 39 Ca 0.31 -0.35 0.12 0.00 0.00 0.00 0.00 60.65 60.72 1iq3 s ILE 39 Cb -0.09 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 1iq3 s ILE 39 CO 0.22 -0.60 1.40 0.28 0.00 0.00 0.00 174.94 176.24 1iq3 h SER 40 N 0.65 0.00 0.00 3.58 0.02 -1.91 -1.61 113.55 114.27 1iq3 h SER 40 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1iq3 h SER 40 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1iq3 h SER 40 CO 0.61 0.71 0.00 0.61 -1.14 0.00 0.00 176.83 177.62 1iq3 n GLY 41 N 1.18 1.81 0.37 -3.77 0.00 -0.68 -2.62 105.19 101.49 1iq3 n GLY 41 Ca 0.01 -0.51 0.19 0.00 0.00 0.00 0.00 46.02 45.71 1iq3 n GLY 41 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1iq3 h SER 42 N 0.00 0.00 0.07 1.61 4.64 -1.95 -1.48 113.55 116.45 1iq3 h SER 42 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1iq3 h SER 42 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1iq3 h SER 42 CO 0.00 0.00 -0.04 0.58 -0.87 0.00 0.00 176.83 176.50 1iq3 h VAL 43 N 0.00 0.92 0.14 0.95 2.07 -1.94 -1.80 116.25 116.59 1iq3 h VAL 43 Ca 0.13 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.38 1iq3 h VAL 43 Cb 0.88 0.92 0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1iq3 h VAL 43 CO -0.00 0.00 -1.18 0.00 0.02 0.00 0.00 177.57 176.41 1iq3 h ALA 44 N 0.82 -0.05 0.00 1.67 0.00 -1.71 -3.19 119.26 116.81 1iq3 h ALA 44 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1iq3 h ALA 44 Cb 0.08 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1iq3 h ALA 44 CO 0.01 0.61 0.05 0.87 0.00 0.00 0.00 179.25 180.80 1iq3 h LYS 45 N 0.13 0.00 -0.05 0.00 1.57 -1.33 -0.38 116.57 116.51 1iq3 h LYS 45 Ca -0.19 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1iq3 h LYS 45 Cb 1.88 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.19 1iq3 h LYS 45 CO 0.22 0.00 -0.00 -0.97 -0.57 0.00 0.00 179.45 178.13 1iq3 h ASN 46 N 0.00 0.09 0.54 0.86 -0.73 -1.30 -3.23 115.58 111.80 1iq3 h ASN 46 Ca 0.00 -0.33 0.00 0.00 1.87 0.00 0.00 56.30 57.84 1iq3 h ASN 46 Cb 0.11 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.68 1iq3 h ASN 46 CO 0.00 0.40 -0.94 2.22 -0.37 0.00 0.00 177.43 178.74 1iq3 n PHE 47 N -4.87 0.34 -0.24 0.67 1.16 -0.89 -4.24 117.46 109.40 1iq3 n PHE 47 Ca -0.07 0.10 0.04 0.00 -1.87 0.00 0.00 57.45 55.65 1iq3 n PHE 47 Cb 0.19 -0.49 0.16 0.00 -1.61 0.00 0.00 39.48 37.73 1iq3 n PHE 47 CO 0.00 0.00 0.00 0.74 -1.87 0.00 0.00 176.76 175.63 1iq3 h PHE 48 N 0.00 0.34 -1.58 2.97 -1.00 -1.10 -1.96 116.94 114.61 1iq3 h PHE 48 Ca 0.00 0.04 -0.66 0.00 2.81 0.00 0.00 57.97 60.15 1iq3 h PHE 48 Cb 0.74 -0.04 -0.35 0.00 3.61 0.00 0.00 35.95 39.90 1iq3 h PHE 48 CO 0.00 -0.01 0.12 -2.37 -1.61 0.00 0.00 178.31 174.44 1iq3 n THR 49 N -5.09 2.99 -0.24 -1.55 5.66 -1.25 -4.78 114.28 110.02 1iq3 n THR 49 Ca 0.12 -4.43 0.31 0.00 -3.05 0.00 0.00 64.05 57.01 1iq3 n THR 49 Cb 0.40 -1.23 0.61 0.00 -1.55 0.00 0.00 70.33 68.55 1iq3 n THR 49 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 1iq3 h LYS 50 N 2.65 0.00 -0.26 1.09 2.10 -1.55 -2.15 116.57 118.46 1iq3 h LYS 50 Ca 0.44 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.86 1iq3 h LYS 50 Cb 0.62 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 31.72 1iq3 h LYS 50 CO 1.14 0.00 -0.60 -1.13 -2.00 0.00 0.00 179.45 176.86 1iq3 n SER 51 N -3.57 -0.64 -2.27 7.07 3.41 -1.26 -4.96 113.62 111.40 1iq3 n SER 51 Ca 0.24 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 1iq3 n SER 51 Cb 1.38 0.41 0.00 0.00 -0.26 0.00 0.00 64.21 65.74 1iq3 n SER 51 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1iq3 n LYS 52 N -0.76 -2.72 0.00 4.33 2.85 -0.81 -4.34 118.16 116.72 1iq3 n LYS 52 Ca -0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 1iq3 n LYS 52 Cb 0.85 -4.24 0.00 0.00 -0.65 0.00 0.00 35.03 30.98 1iq3 n LYS 52 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1iq3 n LEU 53 N -2.24 0.00 0.00 -5.58 4.77 -1.26 -4.58 117.00 108.11 1iq3 n LEU 53 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1iq3 n LEU 53 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1iq3 n LEU 53 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 174.86 1iq3 n SER 54 N 1.83 0.00 0.02 -1.43 7.64 -1.26 -4.98 113.62 115.43 1iq3 n SER 54 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1iq3 n SER 54 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 1iq3 n SER 54 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1iq3 h ILE 55 N 0.00 0.80 0.00 0.44 1.08 -1.93 -3.46 117.51 114.44 1iq3 h ILE 55 Ca 0.00 -2.39 0.00 0.00 -0.39 0.00 0.00 64.86 62.08 1iq3 h ILE 55 Cb 0.00 2.60 0.00 0.00 -3.07 0.00 0.00 36.82 36.35 1iq3 h ILE 55 CO 0.00 0.82 0.00 -2.65 -0.69 0.00 0.00 178.15 175.63 1iq3 n PRO 56 N -3.66 2.16 0.00 2.37 -0.02 -1.26 -5.08 135.00 129.51 1iq3 n PRO 56 Ca -0.29 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.19 1iq3 n PRO 56 Cb 1.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.48 1iq3 n PRO 56 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1iq3 n GLU 57 N 0.00 0.00 0.22 -0.52 0.00 -1.26 -4.99 120.64 114.10 1iq3 n GLU 57 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.30 1iq3 n GLU 57 Cb 0.00 0.00 0.54 0.00 0.00 0.00 0.00 31.44 31.98 1iq3 n GLU 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1iq3 h LEU 58 N 0.00 0.00 -0.26 4.31 6.46 -1.93 0.11 115.31 124.01 1iq3 h LEU 58 Ca 0.00 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.66 1iq3 h LEU 58 Cb 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1iq3 h LEU 58 CO 0.00 0.00 -0.23 -1.28 -0.62 0.00 0.00 178.44 176.31 1iq3 h SER 59 N 0.00 0.65 0.54 1.25 0.87 -1.99 -1.20 113.55 113.67 1iq3 h SER 59 Ca 0.10 -0.46 -0.29 0.00 -1.23 0.00 0.00 61.79 59.90 1iq3 h SER 59 Cb 1.38 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 1iq3 h SER 59 CO -0.00 0.98 -1.48 0.10 -0.53 0.00 0.00 176.83 175.90 1iq3 h TYR 60 N 0.33 0.31 -0.27 2.24 -0.00 -1.20 -3.01 116.97 115.36 1iq3 h TYR 60 Ca 0.04 -0.22 -0.15 0.00 0.00 0.00 0.00 58.73 58.40 1iq3 h TYR 60 Cb 0.79 -0.01 -0.01 0.00 0.00 0.00 0.00 36.73 37.50 1iq3 h TYR 60 CO 0.07 1.27 -0.43 0.82 -0.00 0.00 0.00 178.16 179.88 1iq3 h ILE 61 N 0.05 1.29 -0.29 -0.90 2.04 -1.41 -2.74 117.51 115.54 1iq3 h ILE 61 Ca -0.21 -1.62 -0.11 0.00 1.00 0.00 0.00 64.86 63.92 1iq3 h ILE 61 Cb 1.97 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 39.60 1iq3 h ILE 61 CO 0.14 0.52 -0.25 -0.25 0.00 0.00 0.00 178.15 178.31 1iq3 h TRP 62 N 0.55 0.82 -0.05 1.37 2.91 -1.33 0.82 115.95 121.04 1iq3 h TRP 62 Ca 0.04 -0.23 0.01 0.00 1.13 0.00 0.00 58.89 59.84 1iq3 h TRP 62 Cb 0.98 -0.18 -0.00 0.00 -0.51 0.00 0.00 29.16 29.45 1iq3 h TRP 62 CO 0.05 0.96 0.05 0.93 -1.03 0.00 0.00 178.44 179.40 1iq3 h GLU 63 N 0.43 0.00 -0.00 2.65 5.08 -1.47 -0.27 114.58 121.00 1iq3 h GLU 63 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1iq3 h GLU 63 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1iq3 h GLU 63 CO 0.06 0.00 -0.69 1.28 -1.00 0.00 0.00 179.01 178.67 1iq3 n LEU 64 N -3.95 1.03 -0.29 1.33 4.77 -0.98 -4.26 117.00 114.65 1iq3 n LEU 64 Ca -0.02 -0.57 0.12 0.00 -0.03 0.00 0.00 56.01 55.51 1iq3 n LEU 64 Cb 0.15 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.40 1iq3 n LEU 64 CO 0.28 0.23 0.43 -0.24 -1.33 0.00 0.00 177.39 176.76 1iq3 n SER 65 N -1.07 1.35 -4.81 -1.43 2.88 0.28 -4.88 113.62 105.94 1iq3 n SER 65 Ca 0.04 -1.07 -0.37 0.00 -1.33 0.00 0.00 58.87 56.14 1iq3 n SER 65 Cb 0.29 0.37 -0.06 0.00 -0.75 0.00 0.00 64.21 64.05 1iq3 n SER 65 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1iq3 s ASP 66 N -2.60 6.49 0.00 -3.46 -1.08 -0.63 -4.70 116.67 110.69 1iq3 s ASP 66 Ca 0.19 0.58 0.29 0.00 -0.52 0.00 0.00 52.55 53.09 1iq3 s ASP 66 Cb 0.18 -2.15 1.30 0.00 -1.46 0.00 0.00 42.92 40.79 1iq3 s ASP 66 CO 0.59 0.28 1.95 0.00 0.52 0.00 0.00 175.17 178.52 1iq3 n ALA 67 N 2.53 2.38 -1.54 3.66 0.00 -1.26 -4.33 120.51 121.94 1iq3 n ALA 67 Ca -0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 53.44 53.16 1iq3 n ALA 67 Cb 0.53 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 1iq3 n ALA 67 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1iq3 n ASP 68 N -1.45 -0.13 -3.28 0.00 5.75 -1.26 -4.96 116.55 111.22 1iq3 n ASP 68 Ca 0.09 -0.26 -0.18 0.00 -0.01 0.00 0.00 54.79 54.43 1iq3 n ASP 68 Cb 0.32 0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.41 1iq3 n ASP 68 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1iq3 n ASP 70 N -1.82 0.36 0.00 0.00 5.68 -1.26 -4.88 116.55 114.62 1iq3 n ASP 70 Ca 0.05 0.57 0.00 0.00 -0.50 0.00 0.00 54.79 54.91 1iq3 n ASP 70 Cb 0.46 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 1iq3 n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iq3 n GLY 71 N 0.48 3.10 3.91 6.12 0.00 -1.26 -5.03 105.19 112.51 1iq3 n GLY 71 Ca 0.04 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.91 1iq3 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iq3 s ALA 72 N -0.74 3.82 -0.19 4.61 0.00 -1.08 -1.68 121.76 126.50 1iq3 s ALA 72 Ca 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 51.96 50.58 1iq3 s ALA 72 Cb 0.00 -1.54 0.07 0.00 0.00 0.00 0.00 23.12 21.64 1iq3 s ALA 72 CO 0.00 0.22 0.10 -0.51 0.00 0.00 0.00 175.76 175.56 1iq3 s LEU 73 N -3.94 0.42 1.13 0.00 1.02 -0.61 -4.83 118.68 111.87 1iq3 s LEU 73 Ca 0.35 -0.74 -0.18 0.00 0.02 0.00 0.00 54.13 53.57 1iq3 s LEU 73 Cb -0.08 -0.28 0.14 0.00 0.02 0.00 0.00 46.19 45.99 1iq3 s LEU 73 CO 0.28 -0.36 0.13 0.35 0.02 0.00 0.00 176.35 176.76 1iq3 n THR 74 N 5.26 0.00 -0.18 5.49 -2.24 -1.26 -1.71 114.28 119.64 1iq3 n THR 74 Ca -0.07 -0.25 -0.01 0.00 -2.27 0.00 0.00 64.05 61.45 1iq3 n THR 74 Cb 0.48 -0.62 0.08 0.00 -2.10 0.00 0.00 70.33 68.17 1iq3 n THR 74 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1iq3 h LEU 75 N -2.29 0.17 -1.92 3.22 5.85 -1.75 0.20 115.31 118.78 1iq3 h LEU 75 Ca -0.49 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.37 1iq3 h LEU 75 Cb 1.26 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 1iq3 h LEU 75 CO 0.34 0.11 0.19 -0.65 -0.34 0.00 0.00 178.44 178.10 1iq3 h PRO 76 N 0.36 0.09 -0.22 5.25 0.11 -1.89 -1.35 132.00 134.35 1iq3 h PRO 76 Ca 0.27 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 66.17 1iq3 h PRO 76 Cb 0.33 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.42 1iq3 h PRO 76 CO -0.29 0.06 -0.68 0.93 -0.21 0.00 0.00 178.00 177.81 1iq3 h GLU 77 N 0.10 0.84 0.00 1.05 5.08 -0.90 -3.07 114.58 117.68 1iq3 h GLU 77 Ca 0.13 -0.62 -0.06 0.00 -1.00 0.00 0.00 59.36 57.81 1iq3 h GLU 77 Cb 0.38 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1iq3 h GLU 77 CO -0.01 1.24 -0.28 0.35 -1.00 0.00 0.00 179.01 179.30 1iq3 h PHE 78 N 0.61 0.00 -0.21 4.33 3.04 -0.47 -2.75 116.94 121.49 1iq3 h PHE 78 Ca -0.02 0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.95 1iq3 h PHE 78 Cb 1.30 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.79 1iq3 h PHE 78 CO 0.08 0.28 0.05 0.00 -2.02 0.00 0.00 178.31 176.71 1iq3 h ALA 80 N 1.14 1.00 0.44 0.00 0.00 -1.62 -3.31 119.26 116.92 1iq3 h ALA 80 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1iq3 h ALA 80 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1iq3 h ALA 80 CO -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 179.25 178.93 1iq3 h ALA 81 N 2.01 -0.99 -0.51 0.00 0.00 -1.05 -2.73 119.26 115.99 1iq3 h ALA 81 Ca 0.00 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 54.93 1iq3 h ALA 81 Cb 0.94 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1iq3 h ALA 81 CO 0.00 -0.95 0.56 0.35 0.00 0.00 0.00 179.25 179.21 1iq3 h PHE 82 N -0.68 0.00 -0.36 0.00 3.57 -1.60 0.26 116.94 118.13 1iq3 h PHE 82 Ca -0.06 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.38 1iq3 h PHE 82 Cb 0.45 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1iq3 h PHE 82 CO 0.09 0.00 -0.02 0.45 -2.23 0.00 0.00 178.31 176.60 1iq3 h HIS 83 N 0.00 0.71 -0.36 0.41 3.86 -1.57 -2.94 115.15 115.25 1iq3 h HIS 83 Ca 0.24 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1iq3 h HIS 83 Cb 1.35 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.62 1iq3 h HIS 83 CO 0.00 0.76 0.21 -0.07 0.86 0.00 0.00 177.93 179.69 1iq3 h LEU 84 N 0.46 0.45 -0.30 2.43 -0.00 -0.69 -0.19 115.31 117.46 1iq3 h LEU 84 Ca 0.10 -0.08 0.07 0.00 -0.00 0.00 0.00 57.88 57.97 1iq3 h LEU 84 Cb 0.49 -0.11 -0.07 0.00 -0.00 0.00 0.00 40.66 40.97 1iq3 h LEU 84 CO 0.02 0.39 -0.16 0.40 -0.00 0.00 0.00 178.44 179.10 1iq3 h ILE 85 N 0.46 0.53 0.00 1.22 5.03 -1.48 -0.15 117.51 123.12 1iq3 h ILE 85 Ca 0.13 0.00 -0.05 0.00 -0.12 0.00 0.00 64.86 64.82 1iq3 h ILE 85 Cb 0.04 0.53 -0.01 0.00 -3.03 0.00 0.00 36.82 34.35 1iq3 h ILE 85 CO -0.02 0.00 -0.25 0.58 -0.68 0.00 0.00 178.15 177.78 1iq3 h VAL 86 N -0.12 0.66 0.00 1.67 2.07 -1.34 -2.87 116.25 116.32 1iq3 h VAL 86 Ca 0.16 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1iq3 h VAL 86 Cb 0.36 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1iq3 h VAL 86 CO -0.37 0.24 -0.07 0.00 0.02 0.00 0.00 177.57 177.39 1iq3 h ALA 87 N 1.75 1.86 -0.01 1.67 0.00 0.87 -1.11 119.26 124.29 1iq3 h ALA 87 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1iq3 h ALA 87 Cb 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1iq3 h ALA 87 CO 0.03 0.09 -0.44 -2.13 0.00 0.00 0.00 179.25 176.80 1iq3 n ARG 88 N -4.41 0.59 -0.05 0.00 3.00 -1.08 -1.79 116.66 112.92 1iq3 n ARG 88 Ca -0.03 -0.39 -0.02 0.00 -0.00 0.00 0.00 57.85 57.41 1iq3 n ARG 88 Cb 0.15 -1.49 -0.01 0.00 0.00 0.00 0.00 32.46 31.11 1iq3 n ARG 88 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1iq3 h LYS 89 N 0.96 0.00 0.00 -0.14 1.79 -1.19 -3.37 116.57 114.62 1iq3 h LYS 89 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1iq3 h LYS 89 Cb 0.55 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1iq3 h LYS 89 CO 0.00 0.00 -0.03 -0.97 -1.08 0.00 0.00 179.45 177.37 1iq3 h ASN 90 N -0.83 0.00 -0.43 0.86 -0.00 -1.72 -3.47 115.58 110.00 1iq3 h ASN 90 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1iq3 h ASN 90 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.51 1iq3 h ASN 90 CO 0.00 0.03 0.00 0.61 -0.00 0.00 0.00 177.43 178.07 1iq3 n GLY 91 N 0.26 0.99 3.76 1.57 0.00 -1.21 -5.05 105.19 105.51 1iq3 n GLY 91 Ca 0.01 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 1iq3 n GLY 91 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iq3 s TYR 92 N -2.43 2.50 0.38 1.61 2.02 -0.74 -4.97 117.35 115.73 1iq3 s TYR 92 Ca 0.00 1.55 -0.26 0.00 -0.37 0.00 0.00 57.07 57.99 1iq3 s TYR 92 Cb 0.00 -3.31 -0.09 0.00 -0.40 0.00 0.00 41.96 38.16 1iq3 s TYR 92 CO 0.00 -1.90 1.22 -1.25 -1.57 0.00 0.00 175.55 172.06 1iq3 s PRO 93 N -3.67 4.11 -0.34 -1.71 0.04 -1.26 -4.89 135.00 127.28 1iq3 s PRO 93 Ca 0.72 1.98 -0.00 0.00 0.04 0.00 0.00 61.00 63.73 1iq3 s PRO 93 Cb -0.25 -2.79 0.11 0.00 0.04 0.00 0.00 34.50 31.62 1iq3 s PRO 93 CO 0.36 -0.31 0.15 -0.51 0.04 0.00 0.00 177.00 176.72 1iq3 s LEU 94 N -2.31 1.96 0.11 -3.56 1.43 -1.26 -5.00 118.68 110.06 1iq3 s LEU 94 Ca 0.55 -1.90 -0.22 0.00 -1.03 0.00 0.00 54.13 51.54 1iq3 s LEU 94 Cb -0.34 -0.78 -0.08 0.00 0.03 0.00 0.00 46.19 45.02 1iq3 s LEU 94 CO 0.44 -0.37 1.72 -0.65 0.23 0.00 0.00 176.35 177.71 1iq3 h PRO 95 N 7.67 -0.03 0.00 1.29 0.11 -1.98 -3.46 132.00 135.62 1iq3 h PRO 95 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1iq3 h PRO 95 Cb 0.99 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1iq3 h PRO 95 CO 0.44 -0.02 0.00 -0.85 -0.21 0.00 0.00 178.00 177.36 1iq3 n GLU 96 N -5.16 3.87 0.00 1.05 0.28 -1.26 -4.83 120.64 114.59 1iq3 n GLU 96 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1iq3 n GLU 96 Cb 0.09 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.96 1iq3 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1iq3 n GLY 97 N 5.00 2.23 3.50 -1.84 0.00 -1.26 -4.93 105.19 107.89 1iq3 n GLY 97 Ca 0.00 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 1iq3 n GLY 97 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1iq3 s LEU 98 N 0.00 2.65 1.19 0.99 2.34 -1.26 -5.06 118.68 119.52 1iq3 s LEU 98 Ca 0.00 -1.13 -0.14 0.00 0.06 0.00 0.00 54.13 52.92 1iq3 s LEU 98 Cb 0.00 -0.97 0.29 0.00 -0.56 0.00 0.00 46.19 44.95 1iq3 s LEU 98 CO 0.00 -0.14 1.02 -2.16 -1.06 0.00 0.00 176.35 174.01 1iq3 s PRO 99 N -3.59 -1.11 -0.17 1.48 0.04 -1.26 -4.87 135.00 125.52 1iq3 s PRO 99 Ca 0.31 0.66 -0.29 0.00 0.04 0.00 0.00 61.00 61.72 1iq3 s PRO 99 Cb 0.00 -1.55 -0.04 0.00 0.04 0.00 0.00 34.50 32.95 1iq3 s PRO 99 CO 0.15 -3.80 1.81 -1.25 0.04 0.00 0.00 177.00 173.95 1iq3 s PRO 100 N -4.60 3.73 -0.02 0.56 0.04 -1.26 -4.81 135.00 128.63 1iq3 s PRO 100 Ca 0.68 1.94 0.02 0.00 0.04 0.00 0.00 61.00 63.68 1iq3 s PRO 100 Cb -0.23 -4.13 -0.03 0.00 0.04 0.00 0.00 34.50 30.15 1iq3 s PRO 100 CO 0.63 -1.39 0.01 0.25 0.04 0.00 0.00 177.00 176.54 1iq3 n THR 101 N 6.50 0.16 -1.50 1.26 -2.24 -1.26 -5.06 114.28 112.14 1iq3 n THR 101 Ca 0.21 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1iq3 n THR 101 Cb 0.44 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 1iq3 n THR 101 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1iq3 n LEU 102 N -2.04 -1.99 -4.10 3.22 0.00 -1.26 -5.00 117.00 105.82 1iq3 n LEU 102 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 56.01 55.70 1iq3 n LEU 102 Cb 0.53 -0.87 0.12 0.00 0.00 0.00 0.00 43.42 43.20 1iq3 n LEU 102 CO 0.05 0.00 -0.72 0.00 0.00 0.00 0.00 177.39 176.73 1iq3 n GLN 103 N -1.12 -1.35 0.00 1.96 6.02 -1.26 -4.83 117.38 116.81 1iq3 n GLN 103 Ca 0.00 -0.39 0.00 0.00 -0.01 0.00 0.00 57.00 56.60 1iq3 n GLN 103 Cb 0.50 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.34 1iq3 n GLN 103 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1iq3 n PRO 104 N -0.65 0.00 -1.15 -1.09 -0.02 -1.26 -4.74 135.00 126.09 1iq3 n PRO 104 Ca 0.01 0.85 -0.07 0.00 -2.02 0.00 0.00 63.50 62.28 1iq3 n PRO 104 Cb 0.53 -1.48 -0.03 0.00 -0.02 0.00 0.00 33.50 32.50 1iq3 n PRO 104 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1iq3 n GLU 105 N -2.67 -1.79 -3.12 -0.52 2.13 -1.26 -3.80 120.64 109.61 1iq3 n GLU 105 Ca 0.00 0.70 -0.06 0.00 0.66 0.00 0.00 57.16 58.46 1iq3 n GLU 105 Cb 0.00 -5.04 0.01 0.00 0.27 0.00 0.00 31.44 26.68 1iq3 n GLU 105 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1iq3 n PHE 106 N -1.99 -1.40 -0.09 4.31 3.01 -1.26 -4.93 117.46 115.11 1iq3 n PHE 106 Ca -0.07 0.60 -0.18 0.00 1.01 0.00 0.00 57.45 58.82 1iq3 n PHE 106 Cb 0.52 -1.89 -0.11 0.00 -0.01 0.00 0.00 39.48 37.99 1iq3 n PHE 106 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1iq3 h ILE 107 N 3.19 1.00 -3.52 4.37 2.04 -1.94 -3.45 117.51 119.20 1iq3 h ILE 107 Ca -0.08 -2.07 -0.52 0.00 1.00 0.00 0.00 64.86 63.19 1iq3 h ILE 107 Cb 0.85 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 39.12 1iq3 h ILE 107 CO 0.06 0.34 0.37 0.54 0.00 0.00 0.00 178.15 179.46 1iq3 s VAL 108 N -2.29 4.56 -0.44 1.67 0.11 -1.26 -4.94 120.40 117.82 1iq3 s VAL 108 Ca -0.24 2.04 0.04 0.00 -2.93 0.00 0.00 61.98 60.90 1iq3 s VAL 108 Cb 0.03 -4.31 0.56 0.00 -1.53 0.00 0.00 36.38 31.14 1iq3 s VAL 108 CO 0.56 0.27 1.76 1.07 -3.33 0.00 0.00 175.10 175.43 1iq3 n THR 109 N 3.07 3.05 -0.53 5.04 5.66 -1.26 -5.21 114.28 124.10 1iq3 n THR 109 Ca 0.03 -2.55 0.00 0.00 -3.05 0.00 0.00 64.05 58.48 1iq3 n THR 109 Cb 0.49 -0.62 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 1iq3 n THR 109 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35