#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iq3 h LEU 2 N 0.00 0.00 -0.18 1.04 3.38 -1.35 -0.78 115.31 117.42 3iq3 h LEU 2 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iq3 h LEU 2 Cb 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3iq3 h LEU 2 CO 0.00 0.00 0.10 -0.26 0.09 0.00 0.00 178.44 178.37 3iq3 h PHE 3 N 0.00 0.25 -0.25 1.13 0.04 -1.94 0.18 116.94 116.36 3iq3 h PHE 3 Ca 0.19 -0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.81 3iq3 h PHE 3 Cb 0.77 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.84 3iq3 h PHE 3 CO -0.00 0.25 -0.42 0.93 -0.60 0.00 0.00 178.31 178.47 3iq3 h GLU 4 N 0.18 0.72 -0.30 1.51 3.07 -1.61 -0.89 114.58 117.27 3iq3 h GLU 4 Ca 0.06 -0.44 0.05 0.00 -0.50 0.00 0.00 59.36 58.53 3iq3 h GLU 4 Cb 0.08 0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 27.99 3iq3 h GLU 4 CO -0.01 1.07 -0.02 1.25 -1.40 0.00 0.00 179.01 179.90 3iq3 h LEU 5 N 0.45 -0.16 -0.92 1.33 5.85 -1.03 0.11 115.31 120.94 3iq3 h LEU 5 Ca 0.02 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 3iq3 h LEU 5 Cb 1.01 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3iq3 h LEU 5 CO 0.09 -0.05 0.04 1.23 -0.34 0.00 0.00 178.44 179.41 3iq3 h GLY 6 N 0.06 0.89 0.94 3.75 0.00 -0.52 0.26 103.07 108.44 3iq3 h GLY 6 Ca 0.14 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 3iq3 h GLY 6 CO -0.26 0.53 -0.01 1.70 0.00 0.00 0.00 176.54 178.51 3iq3 h LYS 7 N 0.78 0.67 -0.70 4.80 3.64 -0.47 0.42 116.57 125.72 3iq3 h LYS 7 Ca 0.16 -0.22 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 3iq3 h LYS 7 Cb 0.42 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 3iq3 h LYS 7 CO 0.01 0.78 0.14 0.52 -2.27 0.00 0.00 179.45 178.64 3iq3 h MET 8 N 0.49 1.13 -0.42 1.90 2.86 -0.38 0.19 114.93 120.71 3iq3 h MET 8 Ca 0.11 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 3iq3 h MET 8 Cb 0.48 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 3iq3 h MET 8 CO 0.02 1.01 0.22 0.82 1.06 0.00 0.00 176.91 180.05 3iq3 h ILE 9 N 1.07 1.16 -0.51 -1.22 2.04 -0.57 0.81 117.51 120.29 3iq3 h ILE 9 Ca 0.22 -0.43 0.05 0.00 1.00 0.00 0.00 64.86 65.70 3iq3 h ILE 9 Cb 0.41 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 3iq3 h ILE 9 CO 0.01 0.17 0.25 0.25 0.00 0.00 0.00 178.15 178.83 3iq3 h LEU 10 N 0.55 0.35 -0.57 1.44 5.85 -0.34 0.15 115.31 122.73 3iq3 h LEU 10 Ca 0.15 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 3iq3 h LEU 10 Cb 0.07 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3iq3 h LEU 10 CO -0.02 0.24 -0.04 1.56 -0.34 0.00 0.00 178.44 179.84 3iq3 h GLN 11 N 0.49 1.04 0.18 1.25 4.20 -0.03 0.20 115.11 122.43 3iq3 h GLN 11 Ca 0.23 -0.35 -0.27 0.00 0.06 0.00 0.00 58.65 58.32 3iq3 h GLN 11 Cb 0.15 -0.08 0.03 0.00 0.30 0.00 0.00 27.48 27.88 3iq3 h GLN 11 CO -0.17 1.05 -1.16 0.93 -0.67 0.00 0.00 178.83 178.81 3iq3 h GLU 12 N 0.93 0.47 0.00 1.46 4.39 -0.66 -3.38 114.58 117.79 3iq3 h GLU 12 Ca 0.16 -0.75 0.00 0.00 0.34 0.00 0.00 59.36 59.11 3iq3 h GLU 12 Cb 0.61 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 3iq3 h GLU 12 CO 0.04 1.35 -1.92 0.25 -1.16 0.00 0.00 179.01 177.57 3iq3 n THR 13 N -3.90 0.03 -0.98 1.13 -2.24 0.49 -4.71 114.28 104.10 3iq3 n THR 13 Ca -0.15 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 3iq3 n THR 13 Cb 0.96 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 3iq3 n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iq3 n GLY 14 N 1.26 0.83 3.76 3.38 0.00 0.70 -5.01 105.19 110.11 3iq3 n GLY 14 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 3iq3 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iq3 s LYS 15 N -0.06 3.02 -0.08 1.61 -0.14 -1.25 -5.02 119.74 117.81 3iq3 s LYS 15 Ca 0.00 -0.49 -0.33 0.00 -1.36 0.00 0.00 55.97 53.79 3iq3 s LYS 15 Cb 0.00 -2.83 -0.11 0.00 -1.68 0.00 0.00 37.83 33.21 3iq3 s LYS 15 CO 0.00 0.65 1.94 -1.71 -0.76 0.00 0.00 175.35 175.47 3iq3 n ASN 16 N 1.30 3.55 -0.12 2.83 2.85 -1.26 -3.92 115.26 120.49 3iq3 n ASN 16 Ca -0.14 0.89 -0.09 0.00 -0.11 0.00 0.00 54.58 55.12 3iq3 n ASN 16 Cb 0.53 -1.41 0.05 0.00 1.24 0.00 0.00 39.78 40.19 3iq3 n ASN 16 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3iq3 h PRO 17 N 10.04 0.87 -0.22 1.20 0.13 -1.92 -1.82 132.00 140.28 3iq3 h PRO 17 Ca -0.47 -0.36 -0.01 0.00 -0.87 0.00 0.00 66.00 64.28 3iq3 h PRO 17 Cb 1.27 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 3iq3 h PRO 17 CO 0.95 1.01 0.09 0.00 -0.23 0.00 0.00 178.00 179.82 3iq3 h ALA 18 N 0.99 0.29 -0.11 -0.56 0.00 -1.92 0.43 119.26 118.37 3iq3 h ALA 18 Ca 0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3iq3 h ALA 18 Cb 0.77 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3iq3 h ALA 18 CO 0.06 -0.12 -0.03 -0.22 0.00 0.00 0.00 179.25 178.94 3iq3 h LYS 19 N 0.21 0.21 0.20 0.00 3.64 -1.93 0.64 116.57 119.54 3iq3 h LYS 19 Ca 0.08 -0.09 -0.32 0.00 -1.27 0.00 0.00 60.65 59.05 3iq3 h LYS 19 Cb 0.16 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3iq3 h LYS 19 CO -0.01 0.53 -1.45 0.77 -2.27 0.00 0.00 179.45 177.03 3iq3 h SER 20 N -0.12 0.66 0.00 4.20 0.02 -1.26 -3.40 113.55 113.65 3iq3 h SER 20 Ca 0.03 -0.75 0.00 0.00 -0.84 0.00 0.00 61.79 60.23 3iq3 h SER 20 Cb 0.46 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3iq3 h SER 20 CO 0.01 1.59 0.00 -1.22 -1.14 0.00 0.00 176.83 176.08 3iq3 n TYR 21 N -3.63 0.00 0.24 3.45 4.01 0.14 -4.52 117.16 116.86 3iq3 n TYR 21 Ca -0.15 -0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.68 3iq3 n TYR 21 Cb 1.07 -0.00 0.63 0.00 -0.31 0.00 0.00 39.34 40.73 3iq3 n TYR 21 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3iq3 h GLY 22 N 0.00 0.00 -0.27 2.72 0.00 0.31 -3.31 103.07 102.52 3iq3 h GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3iq3 h GLY 22 CO 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 176.54 176.40 3iq3 n ALA 23 N -2.36 1.29 -2.01 3.60 0.00 -1.24 -3.85 120.51 115.95 3iq3 n ALA 23 Ca -0.02 -0.66 -0.41 0.00 0.00 0.00 0.00 53.44 52.35 3iq3 n ALA 23 Cb 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 3iq3 n ALA 23 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3iq3 s TYR 24 N -0.03 3.41 0.00 0.00 6.14 -0.88 -3.65 117.35 122.34 3iq3 s TYR 24 Ca 0.00 1.43 0.00 0.00 0.64 0.00 0.00 57.07 59.14 3iq3 s TYR 24 Cb 0.00 -3.45 0.00 0.00 0.42 0.00 0.00 41.96 38.94 3iq3 s TYR 24 CO 0.00 -1.24 0.00 0.41 0.64 0.00 0.00 175.55 175.36 3iq3 n GLY 25 N 2.06 1.19 0.25 8.97 0.00 0.57 -1.40 105.19 116.83 3iq3 n GLY 25 Ca 0.04 -0.53 0.13 0.00 0.00 0.00 0.00 46.02 45.65 3iq3 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iq3 n ASN 27 N -0.64 1.55 -4.63 0.00 4.13 -1.22 -2.82 115.26 111.63 3iq3 n ASN 27 Ca 0.12 -0.05 -0.39 0.00 1.68 0.00 0.00 54.58 55.94 3iq3 n ASN 27 Cb 0.35 0.40 -0.07 0.00 -1.54 0.00 0.00 39.78 38.92 3iq3 n ASN 27 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3iq3 n GLY 29 N 4.24 0.41 3.95 0.00 0.00 -1.24 -2.06 105.19 110.48 3iq3 n GLY 29 Ca -0.05 -1.81 -0.28 0.00 0.00 0.00 0.00 46.02 43.88 3iq3 n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iq3 s VAL 30 N 0.00 2.04 -0.29 1.61 -7.23 -1.26 -4.61 120.40 110.67 3iq3 s VAL 30 Ca 0.00 -0.16 -0.01 0.00 -1.81 0.00 0.00 61.98 60.01 3iq3 s VAL 30 Cb 0.00 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 34.06 3iq3 s VAL 30 CO 0.00 0.00 0.09 0.18 -0.31 0.00 0.00 175.10 175.06 3iq3 n LEU 31 N -3.49 -1.62 0.00 1.32 4.32 -1.26 -4.89 117.00 111.38 3iq3 n LEU 31 Ca 0.15 -0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.09 3iq3 n LEU 31 Cb 0.60 -0.94 0.00 0.00 -1.62 0.00 0.00 43.42 41.46 3iq3 n LEU 31 CO 0.46 0.03 0.00 0.61 -1.22 0.00 0.00 177.39 177.26 3iq3 n GLY 32 N -0.91 1.85 3.75 -0.72 0.00 -1.26 -4.79 105.19 103.10 3iq3 n GLY 32 Ca -0.03 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 3iq3 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iq3 s ARG 33 N 0.00 2.47 0.20 1.61 0.52 -1.26 -4.49 118.95 118.01 3iq3 s ARG 33 Ca 0.00 -1.43 -0.19 0.00 -0.52 0.00 0.00 55.73 53.59 3iq3 s ARG 33 Cb 0.00 -2.26 0.03 0.00 0.52 0.00 0.00 34.95 33.24 3iq3 s ARG 33 CO 0.00 0.19 0.58 0.20 0.02 0.00 0.00 175.30 176.28 3iq3 s GLY 34 N -3.84 -0.19 -0.01 -3.53 0.00 -1.13 -4.18 107.32 94.44 3iq3 s GLY 34 Ca 0.36 -0.10 -0.36 0.00 0.00 0.00 0.00 44.72 44.62 3iq3 s GLY 34 CO 0.23 -0.15 1.59 0.28 0.00 0.00 0.00 173.10 175.05 3iq3 n LYS 35 N -0.37 1.59 -2.18 2.90 4.01 0.06 -4.68 118.16 119.49 3iq3 n LYS 35 Ca -0.10 0.58 -0.38 0.00 -0.51 0.00 0.00 58.31 57.89 3iq3 n LYS 35 Cb 0.62 -2.30 -0.01 0.00 -0.51 0.00 0.00 35.03 32.83 3iq3 n LYS 35 CO 0.00 0.00 0.00 -2.14 -1.11 0.00 0.00 177.40 174.15 3iq3 s PRO 36 N 1.93 3.90 0.22 1.97 0.02 -1.26 -4.66 135.00 137.12 3iq3 s PRO 36 Ca 0.88 1.95 0.12 0.00 0.02 0.00 0.00 61.00 63.96 3iq3 s PRO 36 Cb -0.86 -2.62 0.00 0.00 0.02 0.00 0.00 34.50 31.05 3iq3 s PRO 36 CO 0.50 -0.48 1.40 0.87 -0.33 0.00 0.00 177.00 178.96 3iq3 h LYS 37 N 2.45 0.00 0.00 5.54 1.79 -1.90 -3.48 116.57 120.97 3iq3 h LYS 37 Ca -0.49 0.00 0.18 0.00 -2.18 0.00 0.00 60.65 58.16 3iq3 h LYS 37 Cb 1.25 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.86 3iq3 h LYS 37 CO 0.62 0.70 0.56 -0.40 -1.08 0.00 0.00 179.45 179.85 3iq3 n ASP 38 N -3.32 -1.22 -0.16 0.86 5.75 -1.26 -5.01 116.55 112.19 3iq3 n ASP 38 Ca 0.01 -1.53 -0.10 0.00 -0.01 0.00 0.00 54.79 53.16 3iq3 n ASP 38 Cb 0.80 1.96 -0.00 0.00 -1.03 0.00 0.00 41.12 42.85 3iq3 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iq3 h ALA 39 N 2.00 0.61 -0.45 2.12 0.00 -1.94 0.17 119.26 121.77 3iq3 h ALA 39 Ca -0.20 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 54.57 3iq3 h ALA 39 Cb 0.95 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 3iq3 h ALA 39 CO 0.27 0.35 -0.04 1.15 0.00 0.00 0.00 179.25 180.98 3iq3 h THR 40 N 0.63 0.61 -0.87 0.00 2.02 -1.90 0.20 112.91 113.60 3iq3 h THR 40 Ca 0.14 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.27 3iq3 h THR 40 Cb 0.40 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 3iq3 h THR 40 CO 0.01 0.01 0.45 -0.78 0.37 0.00 0.00 175.52 175.58 3iq3 h ASP 41 N 0.07 1.12 0.04 4.18 3.58 -1.72 -1.35 116.42 122.34 3iq3 h ASP 41 Ca 0.22 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 3iq3 h ASP 41 Cb 0.34 -0.29 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 3iq3 h ASP 41 CO -0.41 0.92 -0.07 0.03 -2.88 0.00 0.00 179.24 176.84 3iq3 h ARG 42 N 1.23 0.07 -0.53 0.28 3.08 0.41 0.20 114.38 119.11 3iq3 h ARG 42 Ca 0.30 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.40 3iq3 h ARG 42 Cb 0.08 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 3iq3 h ARG 42 CO -0.04 0.14 0.26 0.00 -1.07 0.00 0.00 179.97 179.26 3iq3 h TYR 45 N 0.00 -0.31 -0.96 0.00 3.20 -0.21 0.11 116.97 118.80 3iq3 h TYR 45 Ca -0.01 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.92 3iq3 h TYR 45 Cb 1.06 0.10 -0.07 0.00 1.54 0.00 0.00 36.73 39.37 3iq3 h TYR 45 CO 0.00 -0.07 0.61 0.28 -1.64 0.00 0.00 178.16 177.35 3iq3 h VAL 46 N -0.50 1.07 -0.37 1.81 2.07 -0.89 -1.00 116.25 118.44 3iq3 h VAL 46 Ca -0.03 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.14 3iq3 h VAL 46 Cb 0.38 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 3iq3 h VAL 46 CO 0.06 0.20 0.18 -0.74 0.02 0.00 0.00 177.57 177.29 3iq3 h HIS 47 N 1.11 0.33 -0.40 1.57 -0.00 -0.76 0.47 115.15 117.47 3iq3 h HIS 47 Ca 0.42 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.71 3iq3 h HIS 47 Cb 0.18 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.48 3iq3 h HIS 47 CO -0.01 0.17 -0.15 0.87 -0.00 0.00 0.00 177.93 178.81 3iq3 h LYS 48 N 0.37 0.73 -0.41 5.26 1.57 0.06 -0.91 116.57 123.25 3iq3 h LYS 48 Ca 0.16 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 3iq3 h LYS 48 Cb 0.08 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3iq3 h LYS 48 CO -0.12 0.84 -0.08 0.00 -0.57 0.00 0.00 179.45 179.53 3iq3 h TYR 51 N 0.93 0.24 0.00 0.00 -1.99 -0.60 -2.32 116.97 113.23 3iq3 h TYR 51 Ca 0.33 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 61.02 3iq3 h TYR 51 Cb 0.08 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 38.74 3iq3 h TYR 51 CO -0.04 0.35 -0.07 0.87 -0.00 0.00 0.00 178.16 179.28 3iq3 h LYS 52 N 0.22 0.00 0.00 4.88 1.57 -0.84 -1.68 116.57 120.72 3iq3 h LYS 52 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3iq3 h LYS 52 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3iq3 h LYS 52 CO 0.02 0.07 0.00 1.63 -0.57 0.00 0.00 179.45 180.60 3iq3 n LYS 53 N -3.35 0.16 -2.72 3.15 5.02 -0.87 -4.85 118.16 114.70 3iq3 n LYS 53 Ca -0.01 0.17 -0.40 0.00 -2.02 0.00 0.00 58.31 56.04 3iq3 n LYS 53 Cb 0.23 -1.69 -0.06 0.00 -0.02 0.00 0.00 35.03 33.49 3iq3 n LYS 53 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3iq3 s LEU 54 N -3.94 4.62 -0.05 -0.35 1.43 -0.63 -5.03 118.68 114.73 3iq3 s LEU 54 Ca 0.11 1.96 -0.01 0.00 -1.03 0.00 0.00 54.13 55.16 3iq3 s LEU 54 Cb 0.14 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.78 3iq3 s LEU 54 CO 0.54 0.09 0.02 -0.89 0.23 0.00 0.00 176.35 176.34 3iq3 s THR 55 N -1.00 0.18 0.00 5.49 2.01 -1.26 -4.85 115.64 116.21 3iq3 s THR 55 Ca 0.42 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.62 3iq3 s THR 55 Cb -0.26 -0.35 0.00 0.00 0.01 0.00 0.00 72.50 71.90 3iq3 s THR 55 CO 0.33 0.20 0.00 0.61 -0.69 0.00 0.00 174.62 175.07 3iq3 n GLY 56 N 4.89 0.92 3.28 4.40 0.00 -1.26 -4.56 105.19 112.86 3iq3 n GLY 56 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 3iq3 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iq3 s ASN 58 N -2.85 5.73 0.55 0.00 3.84 -1.26 -4.97 114.94 115.99 3iq3 s ASN 58 Ca 0.05 -1.34 0.24 0.00 0.21 0.00 0.00 52.86 52.03 3iq3 s ASN 58 Cb 0.03 -2.02 1.51 0.00 -0.55 0.00 0.00 41.25 40.22 3iq3 s ASN 58 CO -0.10 -0.51 2.13 -0.65 -2.79 0.00 0.00 177.10 175.18 3iq3 h PRO 59 N 8.46 0.00 0.14 0.43 0.11 -1.95 0.27 132.00 139.46 3iq3 h PRO 59 Ca -0.24 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.67 3iq3 h PRO 59 Cb 1.09 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.22 3iq3 h PRO 59 CO 0.75 0.00 -0.91 -0.22 -0.21 0.00 0.00 178.00 177.41 3iq3 h LYS 60 N 0.00 0.30 0.00 1.05 3.64 -1.93 -3.28 116.57 116.35 3iq3 h LYS 60 Ca 0.07 -0.51 -0.23 0.00 -1.27 0.00 0.00 60.65 58.71 3iq3 h LYS 60 Cb 0.31 0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 3iq3 h LYS 60 CO -0.00 1.24 -1.87 1.63 -2.27 0.00 0.00 179.45 178.19 3iq3 n LYS 61 N -4.09 1.92 -2.40 1.90 5.02 -0.94 -1.39 118.16 118.17 3iq3 n LYS 61 Ca -0.15 -0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.70 3iq3 n LYS 61 Cb 0.84 -1.32 -0.02 0.00 -0.02 0.00 0.00 35.03 34.50 3iq3 n LYS 61 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3iq3 s ASP 62 N -4.55 6.70 0.52 4.39 1.01 0.04 -4.71 116.67 120.08 3iq3 s ASP 62 Ca -0.06 1.33 -0.17 0.00 0.71 0.00 0.00 52.55 54.35 3iq3 s ASP 62 Cb 0.04 -2.54 -0.07 0.00 1.01 0.00 0.00 42.92 41.36 3iq3 s ASP 62 CO 0.52 -1.03 1.00 -0.13 0.21 0.00 0.00 175.17 175.74 3iq3 s ARG 63 N 4.07 3.82 0.23 8.23 0.52 -1.26 0.42 118.95 134.98 3iq3 s ARG 63 Ca 0.57 1.09 -0.05 0.00 -0.52 0.00 0.00 55.73 56.82 3iq3 s ARG 63 Cb -0.18 -2.11 -0.02 0.00 0.52 0.00 0.00 34.95 33.15 3iq3 s ARG 63 CO 0.22 -0.39 0.29 1.52 0.02 0.00 0.00 175.30 176.96 3iq3 s TYR 64 N -2.44 0.89 -0.14 -0.53 -0.85 -1.26 -4.82 117.35 108.20 3iq3 s TYR 64 Ca 0.62 -1.15 -0.06 0.00 -0.52 0.00 0.00 57.07 55.96 3iq3 s TYR 64 Cb -0.12 -0.26 -0.04 0.00 0.38 0.00 0.00 41.96 41.92 3iq3 s TYR 64 CO 0.29 -0.81 0.08 0.45 -1.52 0.00 0.00 175.55 174.03 3iq3 s SER 65 N -3.12 5.82 0.17 -0.18 0.15 -1.26 -4.95 113.70 110.32 3iq3 s SER 65 Ca 0.32 0.23 -0.05 0.00 0.70 0.00 0.00 55.95 57.15 3iq3 s SER 65 Cb 0.03 -1.89 -0.03 0.00 -1.71 0.00 0.00 66.02 62.43 3iq3 s SER 65 CO 0.12 0.30 0.19 -0.72 1.20 0.00 0.00 173.24 174.33 3iq3 s TYR 66 N -0.36 0.71 0.16 3.44 1.13 -1.26 -0.69 117.35 120.48 3iq3 s TYR 66 Ca 0.09 -1.05 0.08 0.00 -1.41 0.00 0.00 57.07 54.78 3iq3 s TYR 66 Cb -0.12 -0.28 -0.04 0.00 -1.10 0.00 0.00 41.96 40.42 3iq3 s TYR 66 CO 0.02 -0.66 -0.17 -1.12 -2.51 0.00 0.00 175.55 171.10 3iq3 s SER 67 N -3.04 2.55 -0.46 -0.18 0.01 -0.12 -4.87 113.70 107.59 3iq3 s SER 67 Ca 0.25 -0.88 -0.10 0.00 1.31 0.00 0.00 55.95 56.53 3iq3 s SER 67 Cb 0.05 -0.14 0.10 0.00 0.21 0.00 0.00 66.02 66.24 3iq3 s SER 67 CO 0.04 -0.07 0.33 0.86 0.41 0.00 0.00 173.24 174.81 3iq3 s TRP 68 N -2.20 3.37 -0.12 2.43 -0.11 -1.26 0.40 118.94 121.45 3iq3 s TRP 68 Ca 0.16 -1.66 0.02 0.00 1.22 0.00 0.00 56.10 55.83 3iq3 s TRP 68 Cb -0.05 -3.31 0.01 0.00 -1.50 0.00 0.00 33.47 28.63 3iq3 s TRP 68 CO 0.06 -0.93 -0.18 0.15 -4.62 0.00 0.00 176.95 171.43 3iq3 s LYS 69 N 1.41 2.53 -1.49 5.86 1.02 0.20 -4.65 119.74 124.62 3iq3 s LYS 69 Ca 0.04 -0.67 -0.10 0.00 0.02 0.00 0.00 55.97 55.26 3iq3 s LYS 69 Cb -0.25 -2.12 0.07 0.00 -0.52 0.00 0.00 37.83 35.01 3iq3 s LYS 69 CO 0.01 -0.06 0.85 -3.47 -0.92 0.00 0.00 175.35 171.76 3iq3 n ASP 70 N 4.21 -3.43 -3.81 2.83 2.03 -1.26 -0.71 116.55 116.42 3iq3 n ASP 70 Ca -0.19 -0.83 -0.29 0.00 0.52 0.00 0.00 54.79 53.99 3iq3 n ASP 70 Cb 0.51 -3.74 0.02 0.00 -0.72 0.00 0.00 41.12 37.19 3iq3 n ASP 70 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3iq3 n LYS 71 N -4.54 -5.19 -4.40 -0.67 5.02 -1.26 -4.96 118.16 102.16 3iq3 n LYS 71 Ca -0.06 0.60 -0.19 0.00 -2.02 0.00 0.00 58.31 56.63 3iq3 n LYS 71 Cb 0.57 -5.46 -0.15 0.00 -0.02 0.00 0.00 35.03 29.97 3iq3 n LYS 71 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3iq3 s THR 72 N -3.25 0.76 -0.06 -0.18 2.01 0.11 -5.10 115.64 109.93 3iq3 s THR 72 Ca 0.62 -0.41 -0.30 0.00 0.31 0.00 0.00 61.69 61.92 3iq3 s THR 72 Cb -0.31 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.52 3iq3 s THR 72 CO 0.77 0.21 1.53 -0.63 -0.69 0.00 0.00 174.62 175.81 3iq3 s ILE 73 N -0.21 3.72 -0.27 1.82 1.01 -1.26 -0.63 121.20 125.38 3iq3 s ILE 73 Ca 0.04 0.93 0.02 0.00 0.00 0.00 0.00 60.65 61.63 3iq3 s ILE 73 Cb -0.04 -3.60 0.06 0.00 0.01 0.00 0.00 42.46 38.89 3iq3 s ILE 73 CO -0.00 -0.07 -0.09 -0.69 0.00 0.00 0.00 174.94 174.09 3iq3 s VAL 74 N 3.61 2.38 0.23 2.92 1.01 0.16 -4.95 120.40 125.76 3iq3 s VAL 74 Ca 0.68 -1.55 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 3iq3 s VAL 74 Cb -0.31 -2.38 -0.09 0.00 0.00 0.00 0.00 36.38 33.60 3iq3 s VAL 74 CO 0.26 -0.03 1.35 0.00 0.00 0.00 0.00 175.10 176.68 3iq3 s GLY 76 N 0.26 1.66 0.26 0.00 0.00 0.13 -4.89 107.32 104.74 3iq3 s GLY 76 Ca 0.57 0.30 -0.03 0.00 0.00 0.00 0.00 44.72 45.56 3iq3 s GLY 76 CO 0.41 0.72 1.88 -2.09 0.00 0.00 0.00 173.10 174.03 3iq3 h GLU 77 N -1.55 1.15 0.00 2.90 4.57 -1.94 -3.43 114.58 116.28 3iq3 h GLU 77 Ca -0.45 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3iq3 h GLU 77 Cb 1.26 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 3iq3 h GLU 77 CO 0.48 0.76 0.00 0.09 -1.18 0.00 0.00 179.01 179.16 3iq3 n ASN 78 N -4.50 0.00 -4.15 1.04 4.13 -1.26 -4.47 115.26 106.05 3iq3 n ASN 78 Ca 0.15 0.00 -0.18 0.00 1.68 0.00 0.00 54.58 56.24 3iq3 n ASN 78 Cb 0.17 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.32 3iq3 n ASN 78 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3iq3 s ASN 79 N -4.00 1.34 0.22 6.41 6.03 -1.26 -4.96 114.94 118.72 3iq3 s ASN 79 Ca 0.00 -1.47 -0.09 0.00 -1.03 0.00 0.00 52.86 50.26 3iq3 s ASN 79 Cb 0.00 0.29 0.33 0.00 -3.03 0.00 0.00 41.25 38.84 3iq3 s ASN 79 CO 0.00 -0.82 1.68 -0.65 -2.03 0.00 0.00 177.10 175.29 3iq3 h PRO 80 N 2.30 0.19 -0.15 3.55 0.11 -1.98 0.31 132.00 136.33 3iq3 h PRO 80 Ca -0.36 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 3iq3 h PRO 80 Cb 1.25 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3iq3 h PRO 80 CO 0.56 0.13 0.06 0.00 -0.21 0.00 0.00 178.00 178.54 3iq3 h LEU 82 N 0.09 0.59 -0.31 0.00 3.38 -1.75 0.25 115.31 117.56 3iq3 h LEU 82 Ca 0.05 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 3iq3 h LEU 82 Cb 0.17 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3iq3 h LEU 82 CO -0.00 0.68 -0.39 0.50 0.09 0.00 0.00 178.44 179.32 3iq3 h LYS 83 N 0.58 0.81 -0.67 1.13 3.64 -0.22 0.49 116.57 122.33 3iq3 h LYS 83 Ca 0.12 -0.46 -0.05 0.00 -1.27 0.00 0.00 60.65 58.99 3iq3 h LYS 83 Cb 0.41 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 3iq3 h LYS 83 CO 0.02 1.09 0.20 1.49 -2.27 0.00 0.00 179.45 179.98 3iq3 h GLU 84 N 0.58 1.03 -0.10 1.90 4.81 -0.29 0.31 114.58 122.81 3iq3 h GLU 84 Ca 0.04 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3iq3 h GLU 84 Cb 0.98 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.20 3iq3 h GLU 84 CO 0.09 0.88 0.06 1.25 -0.73 0.00 0.00 179.01 180.56 3iq3 h LEU 85 N 0.99 0.12 -0.72 1.64 5.85 -0.33 0.16 115.31 123.02 3iq3 h LEU 85 Ca 0.22 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.93 3iq3 h LEU 85 Cb 0.29 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 3iq3 h LEU 85 CO -0.01 0.16 0.41 0.00 -0.34 0.00 0.00 178.44 178.67 3iq3 h GLU 87 N 0.76 0.45 -0.48 0.00 4.39 0.23 0.16 114.58 120.09 3iq3 h GLU 87 Ca 0.32 -0.18 0.02 0.00 0.34 0.00 0.00 59.36 59.86 3iq3 h GLU 87 Cb 0.19 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 3iq3 h GLU 87 CO -0.18 0.69 0.29 0.00 -1.16 0.00 0.00 179.01 178.65 3iq3 h ASP 89 N 0.57 0.54 -0.79 0.00 3.32 -0.54 -1.38 116.42 118.14 3iq3 h ASP 89 Ca 0.19 -0.46 0.04 0.00 0.02 0.00 0.00 57.03 56.82 3iq3 h ASP 89 Cb 0.01 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.36 3iq3 h ASP 89 CO -0.08 0.89 0.49 0.50 -1.72 0.00 0.00 179.24 179.32 3iq3 h LYS 90 N 0.20 0.91 -0.50 3.56 3.64 -0.60 -1.25 116.57 122.52 3iq3 h LYS 90 Ca 0.04 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 3iq3 h LYS 90 Cb 0.72 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 3iq3 h LYS 90 CO 0.05 0.60 0.06 0.00 -2.27 0.00 0.00 179.45 177.89 3iq3 h ALA 91 N 1.35 0.67 -0.45 5.00 0.00 -0.81 -0.46 119.26 124.57 3iq3 h ALA 91 Ca 0.33 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3iq3 h ALA 91 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3iq3 h ALA 91 CO -0.14 0.42 -0.13 -0.24 0.00 0.00 0.00 179.25 179.17 3iq3 h VAL 92 N 0.72 1.26 -0.48 0.00 3.04 -0.70 0.17 116.25 120.26 3iq3 h VAL 92 Ca 0.15 -1.21 -0.03 0.00 -1.01 0.00 0.00 66.70 64.60 3iq3 h VAL 92 Cb 0.43 1.05 -0.02 0.00 -2.01 0.00 0.00 31.29 30.74 3iq3 h VAL 92 CO 0.01 0.42 0.18 0.00 -1.01 0.00 0.00 177.57 177.17 3iq3 h ALA 93 N 1.12 0.63 -0.32 3.17 0.00 -0.71 0.19 119.26 123.33 3iq3 h ALA 93 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iq3 h ALA 93 Cb 0.63 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3iq3 h ALA 93 CO 0.04 0.24 0.21 0.82 0.00 0.00 0.00 179.25 180.56 3iq3 h ILE 94 N 0.64 1.09 -0.67 0.00 2.04 -0.81 -1.12 117.51 118.67 3iq3 h ILE 94 Ca 0.16 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3iq3 h ILE 94 Cb 0.21 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3iq3 h ILE 94 CO -0.01 0.09 0.38 0.00 0.00 0.00 0.00 178.15 178.61 3iq3 h LEU 96 N 0.92 0.93 -0.19 0.00 3.38 -0.40 -1.51 115.31 118.44 3iq3 h LEU 96 Ca 0.24 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3iq3 h LEU 96 Cb 0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3iq3 h LEU 96 CO -0.04 0.96 0.10 -0.09 0.09 0.00 0.00 178.44 179.46 3iq3 h ARG 97 N 0.86 0.27 -0.09 1.13 2.43 -0.29 -1.97 114.38 116.72 3iq3 h ARG 97 Ca 0.17 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 3iq3 h ARG 97 Cb 0.44 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3iq3 h ARG 97 CO 0.01 0.28 0.10 0.93 -1.51 0.00 0.00 179.97 179.78 3iq3 h GLU 98 N 0.19 0.00 -0.44 0.20 5.08 -0.24 -2.11 114.58 117.27 3iq3 h GLU 98 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3iq3 h GLU 98 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3iq3 h GLU 98 CO -0.01 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.09 3iq3 n ASN 99 N -3.86 3.65 0.24 1.42 3.02 -0.62 -4.52 115.26 114.59 3iq3 n ASN 99 Ca -0.01 -2.31 0.07 0.00 -0.03 0.00 0.00 54.58 52.30 3iq3 n ASN 99 Cb 0.20 -0.40 0.59 0.00 -0.61 0.00 0.00 39.78 39.56 3iq3 n ASN 99 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3iq3 h LEU 100 N 2.69 0.01 -2.65 3.41 3.38 -0.64 -1.94 115.31 119.57 3iq3 h LEU 100 Ca 0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iq3 h LEU 100 Cb 1.07 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3iq3 h LEU 100 CO 0.10 0.07 -0.00 1.23 0.09 0.00 0.00 178.44 179.92 3iq3 h GLY 101 N 0.19 0.00 -0.56 0.83 0.00 -1.80 -1.12 103.07 100.61 3iq3 h GLY 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3iq3 h GLY 101 CO 0.01 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.25 3iq3 n THR 102 N -3.55 0.76 -1.60 4.70 -2.24 -0.75 -5.00 114.28 106.61 3iq3 n THR 102 Ca -0.03 -0.88 -0.52 0.00 -2.27 0.00 0.00 64.05 60.35 3iq3 n THR 102 Cb 0.08 0.65 -0.06 0.00 -2.10 0.00 0.00 70.33 68.90 3iq3 n THR 102 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iq3 n TYR 103 N 0.06 1.56 -3.96 4.78 4.19 -0.43 -4.90 117.16 118.47 3iq3 n TYR 103 Ca 0.05 0.62 -0.29 0.00 3.31 0.00 0.00 57.90 61.59 3iq3 n TYR 103 Cb 0.28 -2.34 -0.17 0.00 0.49 0.00 0.00 39.34 37.60 3iq3 n TYR 103 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 3iq3 s ASN 104 N 0.54 2.55 0.38 2.98 3.84 -1.26 -5.00 114.94 118.98 3iq3 s ASN 104 Ca 0.84 -0.46 0.27 0.00 0.21 0.00 0.00 52.86 53.72 3iq3 s ASN 104 Cb -0.94 -1.01 1.33 0.00 -0.55 0.00 0.00 41.25 40.08 3iq3 s ASN 104 CO 0.47 -0.10 1.82 0.11 -2.79 0.00 0.00 177.10 176.60 3iq3 h LYS 105 N 8.11 0.00 0.00 0.43 1.57 -1.96 -0.95 116.57 123.76 3iq3 h LYS 105 Ca -0.32 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 3iq3 h LYS 105 Cb 1.13 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 3iq3 h LYS 105 CO 0.46 0.00 -0.03 1.57 -0.57 0.00 0.00 179.45 180.88 3iq3 h LYS 106 N 0.00 0.00 -0.00 3.15 2.10 -2.01 -1.51 116.57 118.30 3iq3 h LYS 106 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3iq3 h LYS 106 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 3iq3 h LYS 106 CO 0.00 0.03 -0.53 0.66 -2.00 0.00 0.00 179.45 177.61 3iq3 n TYR 107 N -3.20 0.00 -2.17 0.07 0.53 -0.36 -4.64 117.16 107.40 3iq3 n TYR 107 Ca -0.01 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.45 3iq3 n TYR 107 Cb 0.22 -0.17 -0.03 0.00 -1.03 0.00 0.00 39.34 38.34 3iq3 n TYR 107 CO 0.00 0.00 0.00 0.50 -1.02 0.00 0.00 176.86 176.34 3iq3 s ARG 108 N -2.87 4.31 -0.91 -0.72 3.52 -0.57 -0.31 118.95 121.40 3iq3 s ARG 108 Ca 0.14 2.07 0.00 0.00 -0.13 0.00 0.00 55.73 57.81 3iq3 s ARG 108 Cb 0.18 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 3iq3 s ARG 108 CO 0.69 -0.48 0.00 0.66 -0.81 0.00 0.00 175.30 175.36 3iq3 n TYR 109 N 4.27 -0.07 -1.68 5.12 0.53 -1.24 -4.94 117.16 119.16 3iq3 n TYR 109 Ca 0.12 0.00 -0.44 0.00 -1.02 0.00 0.00 57.90 56.56 3iq3 n TYR 109 Cb 0.42 -1.84 -0.02 0.00 -1.03 0.00 0.00 39.34 36.88 3iq3 n TYR 109 CO 0.00 0.00 0.00 1.58 -1.02 0.00 0.00 176.86 177.42 3iq3 n HIS 110 N -2.95 2.14 -2.42 -0.72 -0.00 -0.84 -4.82 115.22 105.61 3iq3 n HIS 110 Ca -0.09 0.51 -0.41 0.00 0.46 0.00 0.00 57.72 58.19 3iq3 n HIS 110 Cb 0.34 -2.42 -0.03 0.00 -0.12 0.00 0.00 29.99 27.76 3iq3 n HIS 110 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3iq3 s LEU 111 N -0.37 3.25 0.37 0.27 1.43 -1.26 -4.79 118.68 117.57 3iq3 s LEU 111 Ca 0.62 -0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.65 3iq3 s LEU 111 Cb -0.62 -2.68 0.72 0.00 0.03 0.00 0.00 46.19 43.65 3iq3 s LEU 111 CO 0.56 -1.90 1.95 0.11 0.23 0.00 0.00 176.35 177.29 3iq3 h LYS 112 N 11.18 0.48 -1.22 1.70 1.57 -1.88 0.22 116.57 128.63 3iq3 h LYS 112 Ca -0.27 -0.08 0.35 0.00 -1.87 0.00 0.00 60.65 58.78 3iq3 h LYS 112 Cb 1.08 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.25 3iq3 h LYS 112 CO 1.24 0.45 0.87 -1.35 -0.57 0.00 0.00 179.45 180.10 3iq3 h PRO 113 N 0.47 0.04 -2.25 3.15 0.11 -1.97 -0.25 132.00 131.30 3iq3 h PRO 113 Ca 0.11 -0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.62 3iq3 h PRO 113 Cb 0.20 -0.01 -0.16 0.00 0.11 0.00 0.00 31.00 31.14 3iq3 h PRO 113 CO -0.00 0.02 1.22 1.19 -0.21 0.00 0.00 178.00 180.22 3iq3 n PHE 114 N -4.22 2.00 -4.68 0.65 3.72 0.78 -4.83 117.46 110.89 3iq3 n PHE 114 Ca 0.27 -2.30 -0.24 0.00 -0.05 0.00 0.00 57.45 55.12 3iq3 n PHE 114 Cb 1.26 -1.57 -0.16 0.00 -0.94 0.00 0.00 39.48 38.08 3iq3 n PHE 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3iq3 s LYS 116 N 0.07 3.50 0.29 0.00 1.02 -1.26 -4.87 119.74 118.48 3iq3 s LYS 116 Ca -0.03 1.60 -0.30 0.00 0.02 0.00 0.00 55.97 57.26 3iq3 s LYS 116 Cb -0.10 -2.09 -0.12 0.00 -0.52 0.00 0.00 37.83 35.00 3iq3 s LYS 116 CO 0.01 -0.73 1.57 0.36 -0.92 0.00 0.00 175.35 175.65 3iq3 n LYS 117 N -1.10 2.63 -2.38 1.68 2.85 -1.26 -0.76 118.16 119.83 3iq3 n LYS 117 Ca 0.10 0.94 -0.35 0.00 -1.05 0.00 0.00 58.31 57.95 3iq3 n LYS 117 Cb 0.51 -2.70 -0.02 0.00 -0.65 0.00 0.00 35.03 32.17 3iq3 n LYS 117 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3iq3 s ALA 118 N -0.05 2.86 0.63 0.58 0.00 -1.26 -4.15 121.76 120.37 3iq3 s ALA 118 Ca 0.64 0.77 -0.17 0.00 0.00 0.00 0.00 51.96 53.20 3iq3 s ALA 118 Cb -0.51 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.27 3iq3 s ALA 118 CO 0.49 -0.54 1.20 -0.51 0.00 0.00 0.00 175.76 176.40 3iq3 s ASP 119 N -1.71 4.94 0.45 0.00 1.01 -1.26 -4.95 116.67 115.16 3iq3 s ASP 119 Ca 0.67 2.34 -0.24 0.00 0.71 0.00 0.00 52.55 56.03 3iq3 s ASP 119 Cb -0.23 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.02 3iq3 s ASP 119 CO 0.27 -1.76 1.05 -2.65 0.21 0.00 0.00 175.17 172.29 3iq3 n PRO 120 N -1.95 1.38 0.00 8.23 -0.02 -1.26 -5.04 135.00 136.34 3iq3 n PRO 120 Ca 0.13 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3iq3 n PRO 120 Cb 0.50 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3iq3 n PRO 120 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48