#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ik0 s GLY 2 N 0.00 1.61 0.58 3.03 0.00 -1.26 -4.95 107.32 106.32 1ik0 s GLY 2 Ca 0.00 -0.19 -0.18 0.00 0.00 0.00 0.00 44.72 44.35 1ik0 s GLY 2 CO 0.00 0.31 0.55 -1.05 0.00 0.00 0.00 173.10 172.91 1ik0 n PRO 3 N -3.82 0.52 -2.90 2.90 -0.02 -1.26 -4.94 135.00 125.48 1ik0 n PRO 3 Ca 0.07 0.21 -0.38 0.00 -2.02 0.00 0.00 63.50 61.37 1ik0 n PRO 3 Cb 0.56 -1.74 -0.06 0.00 -0.02 0.00 0.00 33.50 32.24 1ik0 n PRO 3 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1ik0 s VAL 4 N -1.72 4.30 0.86 -1.45 -7.23 -1.26 -5.05 120.40 108.86 1ik0 s VAL 4 Ca 0.69 1.73 -0.11 0.00 -1.81 0.00 0.00 61.98 62.48 1ik0 s VAL 4 Cb -0.44 -4.08 0.11 0.00 0.56 0.00 0.00 36.38 32.54 1ik0 s VAL 4 CO 0.54 0.34 1.10 -2.16 -0.31 0.00 0.00 175.10 174.60 1ik0 s PRO 5 N -1.60 1.50 0.09 4.82 0.04 -1.26 -4.86 135.00 133.74 1ik0 s PRO 5 Ca 0.43 1.08 -0.18 0.00 0.04 0.00 0.00 61.00 62.37 1ik0 s PRO 5 Cb -0.21 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 1ik0 s PRO 5 CO 0.25 -2.14 1.57 -1.00 0.04 0.00 0.00 177.00 175.72 1ik0 h PRO 6 N -1.49 0.45 -1.00 0.56 0.13 -1.99 -2.34 132.00 126.32 1ik0 h PRO 6 Ca -0.47 -0.12 0.01 0.00 -0.87 0.00 0.00 66.00 64.55 1ik0 h PRO 6 Cb 1.26 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1ik0 h PRO 6 CO 0.51 0.57 0.65 0.66 -0.23 0.00 0.00 178.00 180.16 1ik0 h SER 7 N 0.26 1.16 -0.32 1.44 4.64 -1.96 -1.61 113.55 117.16 1ik0 h SER 7 Ca 0.08 -0.04 -0.14 0.00 -0.47 0.00 0.00 61.79 61.22 1ik0 h SER 7 Cb 0.34 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1ik0 h SER 7 CO 0.01 0.85 -0.34 0.74 -0.87 0.00 0.00 176.83 177.21 1ik0 h THR 8 N 1.36 1.29 -0.70 2.95 2.02 -1.93 -2.48 112.91 115.42 1ik0 h THR 8 Ca 0.36 -1.52 -0.04 0.00 0.77 0.00 0.00 66.41 65.98 1ik0 h THR 8 Cb -0.14 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1ik0 h THR 8 CO -0.08 0.49 0.27 0.00 0.37 0.00 0.00 175.52 176.58 1ik0 h ALA 9 N 0.72 0.91 -0.38 6.16 0.00 -1.07 -1.27 119.26 124.34 1ik0 h ALA 9 Ca 0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1ik0 h ALA 9 Cb 0.93 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1ik0 h ALA 9 CO 0.08 0.54 0.07 1.25 0.00 0.00 0.00 179.25 181.20 1ik0 h LEU 10 N 1.00 0.60 -0.70 0.00 5.85 -1.26 0.94 115.31 121.74 1ik0 h LEU 10 Ca 0.23 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1ik0 h LEU 10 Cb 0.22 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1ik0 h LEU 10 CO -0.02 0.69 0.46 0.03 -0.34 0.00 0.00 178.44 179.26 1ik0 h ARG 11 N 0.47 0.93 -0.76 1.25 2.47 -1.21 0.26 114.38 117.79 1ik0 h ARG 11 Ca 0.12 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.72 1ik0 h ARG 11 Cb 0.34 -0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.42 1ik0 h ARG 11 CO 0.01 0.62 0.27 0.93 0.56 0.00 0.00 179.97 182.36 1ik0 h GLU 12 N 0.95 1.15 -0.26 0.04 5.08 -0.94 -1.75 114.58 118.86 1ik0 h GLU 12 Ca 0.26 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1ik0 h GLU 12 Cb -0.09 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 28.97 1ik0 h GLU 12 CO -0.05 0.96 -0.22 1.25 -1.00 0.00 0.00 179.01 179.95 1ik0 h LEU 13 N 1.11 0.64 -0.47 1.33 5.85 0.17 -2.69 115.31 121.25 1ik0 h LEU 13 Ca 0.25 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1ik0 h LEU 13 Cb 0.26 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1ik0 h LEU 13 CO -0.01 0.96 0.24 0.40 -0.34 0.00 0.00 178.44 179.69 1ik0 h ILE 14 N 0.32 1.17 -0.99 4.05 2.04 -0.36 -1.57 117.51 122.18 1ik0 h ILE 14 Ca 0.05 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.45 1ik0 h ILE 14 Cb 0.76 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 1ik0 h ILE 14 CO 0.06 0.19 0.64 -0.33 0.00 0.00 0.00 178.15 178.70 1ik0 h GLU 15 N 0.62 1.31 -0.19 2.37 4.39 -1.31 -1.37 114.58 120.41 1ik0 h GLU 15 Ca 0.16 -0.09 -0.09 0.00 0.34 0.00 0.00 59.36 59.69 1ik0 h GLU 15 Cb 0.08 -0.29 -0.00 0.00 -0.10 0.00 0.00 28.75 28.44 1ik0 h GLU 15 CO -0.02 0.88 -0.22 1.49 -1.16 0.00 0.00 179.01 179.97 1ik0 h GLU 16 N 1.35 0.48 -0.13 2.33 4.57 -1.17 -1.44 114.58 120.56 1ik0 h GLU 16 Ca 0.36 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1ik0 h GLU 16 Cb -0.13 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1ik0 h GLU 16 CO -0.08 0.85 0.08 -0.07 -1.18 0.00 0.00 179.01 178.62 1ik0 h LEU 17 N 0.14 0.15 -0.66 1.64 3.38 -1.06 -1.46 115.31 117.45 1ik0 h LEU 17 Ca 0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1ik0 h LEU 17 Cb 0.78 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1ik0 h LEU 17 CO 0.05 0.12 0.34 0.58 0.09 0.00 0.00 178.44 179.63 1ik0 h VAL 18 N 0.17 1.21 -0.37 1.22 2.07 -1.28 -0.89 116.25 118.38 1ik0 h VAL 18 Ca 0.05 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1ik0 h VAL 18 Cb -0.01 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1ik0 h VAL 18 CO -0.01 0.24 0.24 0.78 0.02 0.00 0.00 177.57 178.84 1ik0 h ASN 19 N 0.90 0.42 1.63 0.57 2.35 -0.90 0.08 115.58 120.63 1ik0 h ASN 19 Ca 0.23 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1ik0 h ASN 19 Cb 0.08 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1ik0 h ASN 19 CO -0.03 0.30 0.00 0.16 -1.65 0.00 0.00 177.43 176.21 1ik0 h ILE 20 N 0.50 0.00 0.00 2.81 3.07 -1.09 -3.31 117.51 119.49 1ik0 h ILE 20 Ca 0.13 -0.64 0.00 0.00 1.55 0.00 0.00 64.86 65.91 1ik0 h ILE 20 Cb -0.06 1.64 0.00 0.00 -0.27 0.00 0.00 36.82 38.13 1ik0 h ILE 20 CO -0.03 0.00 -1.92 0.35 -1.05 0.00 0.00 178.15 175.50 1ik0 n THR 21 N -2.52 0.03 0.09 0.16 -2.24 -0.36 -3.81 114.28 105.62 1ik0 n THR 21 Ca 0.05 -0.49 -0.04 0.00 -2.27 0.00 0.00 64.05 61.30 1ik0 n THR 21 Cb 0.46 0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.67 1ik0 n THR 21 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1ik0 h GLN 22 N 0.00 0.00 -0.69 -0.78 4.20 -1.07 -3.22 115.11 113.55 1ik0 h GLN 22 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ik0 h GLN 22 Cb 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1ik0 h GLN 22 CO 0.00 0.84 0.00 0.27 -0.67 0.00 0.00 178.83 179.27 1ik0 n ASN 23 N -3.40 3.80 -4.70 1.46 0.23 -1.24 -4.93 115.26 106.49 1ik0 n ASN 23 Ca 0.00 -2.00 -0.40 0.00 -0.53 0.00 0.00 54.58 51.65 1ik0 n ASN 23 Cb 0.85 -0.46 -0.05 0.00 -2.08 0.00 0.00 39.78 38.04 1ik0 n ASN 23 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ik0 s GLN 24 N -1.08 4.38 0.00 -3.83 -2.07 -1.22 -4.99 119.66 110.85 1ik0 s GLN 24 Ca 0.47 0.90 0.00 0.00 -1.82 0.00 0.00 55.36 54.91 1ik0 s GLN 24 Cb 0.25 -3.49 0.00 0.00 -1.09 0.00 0.00 33.01 28.67 1ik0 s GLN 24 CO 0.33 -0.07 0.00 1.17 -1.32 0.00 0.00 175.29 175.39 1ik0 n LYS 25 N 4.29 0.00 -2.16 9.60 4.81 -1.26 -4.96 118.16 128.48 1ik0 n LYS 25 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 1ik0 n LYS 25 Cb 0.50 -0.29 0.04 0.00 0.02 0.00 0.00 35.03 35.30 1ik0 n LYS 25 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ik0 s ALA 26 N -4.38 3.12 0.34 3.14 0.00 -1.26 -4.97 121.76 117.75 1ik0 s ALA 26 Ca 0.00 -0.52 -0.25 0.00 0.00 0.00 0.00 51.96 51.19 1ik0 s ALA 26 Cb 0.00 -2.80 -0.14 0.00 0.00 0.00 0.00 23.12 20.18 1ik0 s ALA 26 CO 0.00 -0.94 0.56 -2.30 0.00 0.00 0.00 175.76 173.08 1ik0 n PRO 27 N -2.77 0.49 -0.12 0.00 -0.02 -1.26 -4.85 135.00 126.48 1ik0 n PRO 27 Ca 0.05 0.18 -0.08 0.00 -2.02 0.00 0.00 63.50 61.63 1ik0 n PRO 27 Cb 0.57 -1.37 -0.00 0.00 -0.02 0.00 0.00 33.50 32.68 1ik0 n PRO 27 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1ik0 h LEU 28 N 1.00 0.44-10.55 2.45 3.38 -1.96 -3.43 115.31 106.63 1ik0 h LEU 28 Ca -0.37 -0.02 -0.47 0.00 0.09 0.00 0.00 57.88 57.12 1ik0 h LEU 28 Cb 1.41 -0.11 0.08 0.00 0.09 0.00 0.00 40.66 42.13 1ik0 h LEU 28 CO 0.54 0.32 0.27 0.00 0.09 0.00 0.00 178.44 179.66 1ik0 n ASN 30 N -2.95 1.90 0.00 0.00 3.02 -1.26 -4.24 115.26 111.72 1ik0 n ASN 30 Ca 0.07 -1.52 0.00 0.00 -0.03 0.00 0.00 54.58 53.10 1ik0 n ASN 30 Cb 0.60 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 1ik0 n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ik0 n GLY 31 N 1.89 0.54 3.75 7.41 0.00 -1.26 -5.03 105.19 112.49 1ik0 n GLY 31 Ca 0.01 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 1ik0 n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ik0 s SER 32 N -2.79 4.78 0.25 1.61 0.01 -1.26 -4.92 113.70 111.38 1ik0 s SER 32 Ca 0.00 2.24 0.11 0.00 1.31 0.00 0.00 55.95 59.61 1ik0 s SER 32 Cb 0.00 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 1ik0 s SER 32 CO 0.00 -1.86 -0.16 -0.04 0.41 0.00 0.00 173.24 171.59 1ik0 s MET 33 N -3.80 1.82 0.14 12.44 -1.94 -1.26 -2.74 119.30 123.95 1ik0 s MET 33 Ca 0.73 -1.59 0.04 0.00 -1.71 0.00 0.00 55.69 53.16 1ik0 s MET 33 Cb -0.26 -1.91 -0.04 0.00 2.01 0.00 0.00 34.83 34.62 1ik0 s MET 33 CO 0.40 0.36 -0.10 0.14 -0.01 0.00 0.00 175.02 175.82 1ik0 s VAL 34 N -2.20 1.09 0.15 -6.03 -7.23 0.22 -4.85 120.40 101.56 1ik0 s VAL 34 Ca 0.28 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 58.10 1ik0 s VAL 34 Cb -0.06 -1.82 -0.07 0.00 0.56 0.00 0.00 36.38 34.98 1ik0 s VAL 34 CO 0.15 -0.77 1.21 0.26 -0.31 0.00 0.00 175.10 175.64 1ik0 s TRP 35 N -3.37 3.43 0.57 2.82 0.52 -1.26 0.47 118.94 122.12 1ik0 s TRP 35 Ca 0.16 1.37 -0.18 0.00 0.02 0.00 0.00 56.10 57.47 1ik0 s TRP 35 Cb 0.03 -3.44 -0.04 0.00 -1.15 0.00 0.00 33.47 28.87 1ik0 s TRP 35 CO -0.00 -1.27 1.12 -1.54 0.02 0.00 0.00 176.95 175.28 1ik0 s SER 36 N 0.39 5.59 0.19 2.95 1.04 -1.07 -4.86 113.70 117.93 1ik0 s SER 36 Ca 0.55 2.10 0.02 0.00 0.48 0.00 0.00 55.95 59.10 1ik0 s SER 36 Cb -0.32 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.18 1ik0 s SER 36 CO 0.34 -1.31 0.01 0.27 0.98 0.00 0.00 173.24 173.54 1ik0 s ILE 37 N -1.96 0.70 -0.28 -1.02 -4.36 -1.26 -4.90 121.20 108.11 1ik0 s ILE 37 Ca 0.71 -1.99 -0.21 0.00 -0.26 0.00 0.00 60.65 58.90 1ik0 s ILE 37 Cb -0.22 -2.19 -0.01 0.00 1.25 0.00 0.00 42.46 41.29 1ik0 s ILE 37 CO 0.31 -0.42 0.68 0.21 0.24 0.00 0.00 174.94 175.96 1ik0 s ASN 38 N -3.20 6.59 -0.35 4.36 2.47 -1.26 -5.01 114.94 118.54 1ik0 s ASN 38 Ca 0.26 0.64 -0.29 0.00 0.42 0.00 0.00 52.86 53.88 1ik0 s ASN 38 Cb 0.06 -2.36 0.02 0.00 -1.45 0.00 0.00 41.25 37.52 1ik0 s ASN 38 CO 0.05 -0.46 1.11 -0.76 -3.72 0.00 0.00 177.10 173.32 1ik0 s LEU 39 N 2.65 3.87 0.00 3.21 2.01 -1.26 -4.83 118.68 124.33 1ik0 s LEU 39 Ca 0.28 0.94 0.00 0.00 0.01 0.00 0.00 54.13 55.36 1ik0 s LEU 39 Cb -0.15 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.51 1ik0 s LEU 39 CO 0.10 -0.97 0.00 0.35 1.01 0.00 0.00 176.35 176.84 1ik0 n THR 40 N 6.10 0.00 -0.00 5.49 -2.24 -1.26 -5.07 114.28 117.30 1ik0 n THR 40 Ca 0.12 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.90 1ik0 n THR 40 Cb 0.47 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1ik0 n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ik0 n ALA 41 N -3.00 1.56 -0.18 6.98 0.00 -1.26 -4.64 120.51 119.98 1ik0 n ALA 41 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 53.44 53.28 1ik0 n ALA 41 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.46 1ik0 n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ik0 n GLY 42 N 2.51 1.21 0.36 0.00 0.00 -1.26 -4.22 105.19 103.79 1ik0 n GLY 42 Ca -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 1ik0 n GLY 42 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ik0 h MET 43 N 3.25 1.27 -0.34 1.61 0.00 -1.89 0.06 114.93 118.89 1ik0 h MET 43 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 59.70 59.62 1ik0 h MET 43 Cb 0.35 -0.28 -0.02 0.00 0.00 0.00 0.00 31.60 31.65 1ik0 h MET 43 CO 0.05 0.86 0.22 1.88 0.00 0.00 0.00 176.91 179.92 1ik0 h TYR 44 N 1.30 0.42 0.24 -0.22 -1.99 -1.93 0.38 116.97 115.18 1ik0 h TYR 44 Ca 0.35 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 61.07 1ik0 h TYR 44 Cb -0.11 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 38.48 1ik0 h TYR 44 CO -0.00 0.27 -0.12 0.00 -0.00 0.00 0.00 178.16 178.32 1ik0 h ALA 46 N 0.14 0.25 -0.72 0.00 0.00 -0.88 -2.49 119.26 115.55 1ik0 h ALA 46 Ca -0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1ik0 h ALA 46 Cb 0.41 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1ik0 h ALA 46 CO 0.05 -0.27 0.33 0.00 0.00 0.00 0.00 179.25 179.37 1ik0 h ALA 47 N 1.06 1.23 -0.01 0.00 0.00 -0.22 -2.84 119.26 118.48 1ik0 h ALA 47 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ik0 h ALA 47 Cb -0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1ik0 h ALA 47 CO -0.01 0.59 0.00 1.25 0.00 0.00 0.00 179.25 181.07 1ik0 h LEU 48 N 1.03 0.01 -1.25 0.00 5.85 -0.50 -1.25 115.31 119.20 1ik0 h LEU 48 Ca 0.25 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.98 1ik0 h LEU 48 Cb 0.12 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1ik0 h LEU 48 CO -0.03 0.01 0.51 1.05 -0.34 0.00 0.00 178.44 179.64 1ik0 h GLU 49 N 0.00 0.99 -0.56 1.25 4.11 -1.32 0.59 114.58 119.65 1ik0 h GLU 49 Ca 0.00 -0.06 -0.05 0.00 0.07 0.00 0.00 59.36 59.32 1ik0 h GLU 49 Cb 0.00 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 1ik0 h GLU 49 CO -0.00 0.66 0.15 1.03 0.07 0.00 0.00 179.01 180.91 1ik0 h SER 50 N 1.02 0.84 0.07 3.06 0.87 -1.21 -2.79 113.55 115.41 1ik0 h SER 50 Ca 0.29 -0.23 -0.13 0.00 -1.23 0.00 0.00 61.79 60.49 1ik0 h SER 50 Cb -0.07 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.66 1ik0 h SER 50 CO -0.07 0.84 -0.45 -0.07 -0.53 0.00 0.00 176.83 176.55 1ik0 h LEU 51 N 0.79 0.50 -1.00 2.23 3.38 -0.45 -2.58 115.31 118.18 1ik0 h LEU 51 Ca 0.18 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ik0 h LEU 51 Cb 0.33 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1ik0 h LEU 51 CO -0.00 0.88 0.33 0.40 0.09 0.00 0.00 178.44 180.14 1ik0 h ILE 52 N 0.37 0.00 0.00 1.22 1.08 -0.62 1.34 117.51 120.91 1ik0 h ILE 52 Ca 0.03 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.45 1ik0 h ILE 52 Cb 0.94 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 35.02 1ik0 h ILE 52 CO 0.08 0.00 -0.68 0.78 -0.69 0.00 0.00 178.15 177.64 1ik0 h ASN 53 N 0.00 0.00 -3.63 1.72 2.35 -1.51 -3.44 115.58 111.07 1ik0 h ASN 53 Ca 0.00 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.13 1ik0 h ASN 53 Cb 0.66 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.89 1ik0 h ASN 53 CO 0.00 0.16 -0.10 -0.69 -1.65 0.00 0.00 177.43 175.16 1ik0 s VAL 54 N -3.19 5.11 0.08 2.81 1.01 0.46 -5.06 120.40 121.62 1ik0 s VAL 54 Ca 0.02 0.77 0.06 0.00 0.00 0.00 0.00 61.98 62.83 1ik0 s VAL 54 Cb 0.08 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1ik0 s VAL 54 CO 0.75 0.12 -0.15 -0.44 0.00 0.00 0.00 175.10 175.37 1ik0 s SER 55 N 1.56 1.85 0.00 3.32 0.01 -1.26 -4.74 113.70 114.43 1ik0 s SER 55 Ca 0.19 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1ik0 s SER 55 Cb -0.16 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.01 1ik0 s SER 55 CO 0.09 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.29 1ik0 n GLY 56 N 1.18 1.00 3.40 3.44 0.00 -1.26 -5.00 105.19 107.96 1ik0 n GLY 56 Ca -0.20 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.37 1ik0 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ik0 h SER 58 N 8.58 0.78 -0.00 0.00 0.87 -1.94 -1.06 113.55 120.78 1ik0 h SER 58 Ca 0.05 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1ik0 h SER 58 Cb 1.04 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1ik0 h SER 58 CO 1.00 0.57 0.50 0.00 -0.53 0.00 0.00 176.83 178.36 1ik0 h ALA 59 N 1.57 1.50 0.00 6.23 0.00 -1.93 -0.92 119.26 125.71 1ik0 h ALA 59 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ik0 h ALA 59 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ik0 h ALA 59 CO -0.05 -0.50 0.00 0.44 0.00 0.00 0.00 179.25 179.14 1ik0 n ILE 60 N -2.79 0.00 -0.20 0.00 -5.35 -0.74 -4.74 119.36 105.54 1ik0 n ILE 60 Ca -0.01 -0.30 -0.06 0.00 -0.27 0.00 0.00 62.75 62.11 1ik0 n ILE 60 Cb 0.54 1.22 0.03 0.00 -1.74 0.00 0.00 39.64 39.69 1ik0 n ILE 60 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1ik0 h GLU 61 N 0.00 0.77 -0.77 6.28 4.81 0.09 -1.10 114.58 124.65 1ik0 h GLU 61 Ca 0.00 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1ik0 h GLU 61 Cb 0.11 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1ik0 h GLU 61 CO 0.00 0.51 0.35 0.87 -0.73 0.00 0.00 179.01 180.01 1ik0 h LYS 62 N 0.79 1.12 -0.99 1.92 1.57 -1.86 -2.32 116.57 116.80 1ik0 h LYS 62 Ca 0.21 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1ik0 h LYS 62 Cb -0.09 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 31.97 1ik0 h LYS 62 CO -0.05 0.87 0.65 1.15 -0.57 0.00 0.00 179.45 181.51 1ik0 h THR 63 N 1.10 1.25 -1.00 -0.16 2.02 -1.54 -1.89 112.91 112.69 1ik0 h THR 63 Ca 0.26 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 67.00 1ik0 h THR 63 Cb 0.14 -0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 66.30 1ik0 h THR 63 CO -0.03 0.24 0.67 1.56 0.37 0.00 0.00 175.52 178.33 1ik0 h GLN 64 N 1.34 1.31 -0.46 6.66 4.20 -0.68 0.23 115.11 127.71 1ik0 h GLN 64 Ca 0.36 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.91 1ik0 h GLN 64 Cb -0.16 -0.30 -0.02 0.00 0.30 0.00 0.00 27.48 27.31 1ik0 h GLN 64 CO -0.08 0.87 -0.04 0.00 -0.67 0.00 0.00 178.83 178.91 1ik0 h ARG 65 N 1.35 0.84 -0.56 1.46 2.47 -1.27 -2.30 114.38 116.38 1ik0 h ARG 65 Ca 0.37 -0.29 -0.11 0.00 -1.26 0.00 0.00 59.98 58.69 1ik0 h ARG 65 Cb -0.13 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.11 1ik0 h ARG 65 CO -0.09 0.92 -0.10 0.52 0.56 0.00 0.00 179.97 181.78 1ik0 h MET 66 N 0.69 1.05 -0.95 0.04 2.86 -0.66 -2.76 114.93 115.20 1ik0 h MET 66 Ca 0.13 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1ik0 h MET 66 Cb 0.56 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.11 1ik0 h MET 66 CO 0.03 1.08 0.60 -0.07 1.06 0.00 0.00 176.91 179.61 1ik0 h LEU 67 N 0.93 1.12 -1.03 1.22 3.38 -0.43 -1.60 115.31 118.89 1ik0 h LEU 67 Ca 0.15 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1ik0 h LEU 67 Cb 0.67 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1ik0 h LEU 67 CO 0.05 0.83 0.65 0.28 0.09 0.00 0.00 178.44 180.34 1ik0 h SER 68 N 1.30 1.07 -0.62 -0.43 0.02 -1.13 0.61 113.55 114.37 1ik0 h SER 68 Ca 0.34 -0.01 0.18 0.00 -0.84 0.00 0.00 61.79 61.46 1ik0 h SER 68 Cb -0.10 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.17 1ik0 h SER 68 CO -0.07 0.73 0.52 1.23 -1.14 0.00 0.00 176.83 178.10 1ik0 h GLY 69 N 1.24 0.00 0.73 -3.77 0.00 -1.08 0.64 103.07 100.83 1ik0 h GLY 69 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1ik0 h GLY 69 CO -0.13 0.00 -0.78 0.69 0.00 0.00 0.00 176.54 176.33 1ik0 n PHE 70 N -4.02 0.16 -3.47 5.60 3.72 0.16 -4.75 117.46 114.88 1ik0 n PHE 70 Ca 0.12 0.05 -0.23 0.00 -0.05 0.00 0.00 57.45 57.34 1ik0 n PHE 70 Cb 0.76 -0.33 -0.12 0.00 -0.94 0.00 0.00 39.48 38.84 1ik0 n PHE 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ik0 n PRO 72 N 5.19 0.00 -3.01 0.00 -0.02 -1.22 -4.60 135.00 131.34 1ik0 n PRO 72 Ca -0.03 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.02 1ik0 n PRO 72 Cb 0.44 -1.38 -0.06 0.00 -0.02 0.00 0.00 33.50 32.48 1ik0 n PRO 72 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1ik0 s HIS 73 N 1.68 3.01 -1.32 6.00 2.46 -1.26 -4.95 115.29 120.91 1ik0 s HIS 73 Ca 0.00 0.07 -0.14 0.00 0.47 0.00 0.00 55.06 55.46 1ik0 s HIS 73 Cb 0.00 -3.58 0.10 0.00 -0.13 0.00 0.00 32.58 28.98 1ik0 s HIS 73 CO 0.00 -0.97 1.82 1.63 -2.47 0.00 0.00 174.74 174.76 1ik0 n LYS 74 N 6.59 3.23 -3.41 2.88 5.02 -1.26 -4.94 118.16 126.27 1ik0 n LYS 74 Ca 0.01 -3.28 -0.38 0.00 -2.02 0.00 0.00 58.31 52.64 1ik0 n LYS 74 Cb 0.48 -3.24 -0.08 0.00 -0.02 0.00 0.00 35.03 32.18 1ik0 n LYS 74 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ik0 s VAL 75 N 2.66 5.21 0.48 -0.18 0.11 -1.26 -5.02 120.40 122.39 1ik0 s VAL 75 Ca 0.47 0.66 0.07 0.00 -2.93 0.00 0.00 61.98 60.25 1ik0 s VAL 75 Cb 0.06 -3.71 0.03 0.00 -1.53 0.00 0.00 36.38 31.23 1ik0 s VAL 75 CO 0.01 0.25 0.66 -0.94 -3.33 0.00 0.00 175.10 171.75 1ik0 s SER 76 N 1.10 5.44 0.00 3.54 1.04 -1.26 -4.93 113.70 118.63 1ik0 s SER 76 Ca 0.18 -0.42 0.04 0.00 0.48 0.00 0.00 55.95 56.23 1ik0 s SER 76 Cb -0.15 -0.50 0.18 0.00 0.10 0.00 0.00 66.02 65.65 1ik0 s SER 76 CO 0.08 -0.97 1.08 0.00 0.98 0.00 0.00 173.24 174.40 1ik0 n ALA 77 N -2.05 1.23 -0.09 5.32 0.00 -1.26 -1.55 120.51 122.12 1ik0 n ALA 77 Ca 0.10 -0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.44 1ik0 n ALA 77 Cb 0.60 -1.06 -0.16 0.00 0.00 0.00 0.00 19.45 18.82 1ik0 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ik0 n GLY 78 N -1.06 -1.00 3.70 0.00 0.00 -1.26 -4.90 105.19 100.67 1ik0 n GLY 78 Ca 0.01 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 1ik0 n GLY 78 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ik0 s GLN 79 N -2.59 4.35 -0.01 1.61 -0.21 -0.60 -5.06 119.66 117.15 1ik0 s GLN 79 Ca -0.09 0.70 0.04 0.00 0.02 0.00 0.00 55.36 56.02 1ik0 s GLN 79 Cb 0.07 -3.48 -0.01 0.00 1.00 0.00 0.00 33.01 30.59 1ik0 s GLN 79 CO 0.84 -0.01 -0.13 -0.06 -2.12 0.00 0.00 175.29 173.82 1ik0 s PHE 80 N 1.10 1.12 0.00 0.91 0.08 -1.26 -4.31 117.98 115.62 1ik0 s PHE 80 Ca 0.32 -0.21 0.00 0.00 0.12 0.00 0.00 56.93 57.16 1ik0 s PHE 80 Cb -0.16 -0.72 0.00 0.00 -0.57 0.00 0.00 43.02 41.56 1ik0 s PHE 80 CO 0.14 -0.02 0.00 0.43 -0.10 0.00 0.00 175.22 175.67 1ik0 n SER 81 N 2.77 4.65 -0.02 1.36 7.64 -1.26 -4.80 113.62 123.96 1ik0 n SER 81 Ca -0.14 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.75 1ik0 n SER 81 Cb 0.56 0.80 -0.00 0.00 -1.01 0.00 0.00 64.21 64.56 1ik0 n SER 81 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ik0 n SER 82 N -1.53 0.41 -1.27 6.43 2.88 -1.26 -4.66 113.62 114.62 1ik0 n SER 82 Ca 0.00 -0.71 -0.05 0.00 -1.33 0.00 0.00 58.87 56.79 1ik0 n SER 82 Cb 0.12 0.68 0.09 0.00 -0.75 0.00 0.00 64.21 64.35 1ik0 n SER 82 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ik0 n LEU 83 N -0.67 3.73 0.02 2.46 4.77 -1.26 -4.14 117.00 121.90 1ik0 n LEU 83 Ca 0.01 -1.92 -0.17 0.00 -0.03 0.00 0.00 56.01 53.89 1ik0 n LEU 83 Cb 0.03 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 40.45 1ik0 n LEU 83 CO 0.02 0.59 0.21 0.45 -1.33 0.00 0.00 177.39 177.33 1ik0 h HIS 84 N 0.67 0.96 -4.24 -1.77 3.86 -1.93 -3.45 115.15 109.25 1ik0 h HIS 84 Ca 0.15 -0.46 -0.49 0.00 -1.16 0.00 0.00 60.37 58.40 1ik0 h HIS 84 Cb 1.43 -0.13 0.05 0.00 1.06 0.00 0.00 27.41 29.82 1ik0 h HIS 84 CO 0.49 1.29 0.38 0.54 0.86 0.00 0.00 177.93 181.49 1ik0 s VAL 85 N -3.55 4.27 -1.20 2.45 0.11 -1.26 -4.96 120.40 116.26 1ik0 s VAL 85 Ca -0.09 0.99 -0.07 0.00 -2.93 0.00 0.00 61.98 59.88 1ik0 s VAL 85 Cb 0.08 -3.60 0.22 0.00 -1.53 0.00 0.00 36.38 31.56 1ik0 s VAL 85 CO 0.90 -0.72 1.76 0.54 -3.33 0.00 0.00 175.10 174.25 1ik0 n ARG 86 N -2.08 4.04 -2.06 1.54 1.74 -1.26 -5.00 116.66 113.58 1ik0 n ARG 86 Ca 0.07 -3.93 -0.27 0.00 -0.77 0.00 0.00 57.85 52.95 1ik0 n ARG 86 Cb 0.54 -2.75 0.08 0.00 -1.02 0.00 0.00 32.46 29.31 1ik0 n ARG 86 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ik0 s ASP 87 N -0.21 4.66 0.36 0.55 1.01 -1.26 -5.07 116.67 116.71 1ik0 s ASP 87 Ca 0.37 0.60 -0.03 0.00 0.71 0.00 0.00 52.55 54.20 1ik0 s ASP 87 Cb 0.09 -1.17 -0.04 0.00 1.01 0.00 0.00 42.92 42.80 1ik0 s ASP 87 CO 0.03 -1.75 0.62 0.42 0.21 0.00 0.00 175.17 174.70 1ik0 s THR 88 N -3.41 5.02 0.33 -1.27 -4.23 -1.26 -4.86 115.64 105.96 1ik0 s THR 88 Ca 0.61 -0.09 -0.12 0.00 -1.18 0.00 0.00 61.69 60.91 1ik0 s THR 88 Cb -0.11 -3.82 -0.08 0.00 1.34 0.00 0.00 72.50 69.84 1ik0 s THR 88 CO 0.47 -0.56 0.70 -0.54 -0.54 0.00 0.00 174.62 174.15 1ik0 s LYS 89 N -4.16 3.87 0.15 3.99 1.02 -1.26 -2.59 119.74 120.75 1ik0 s LYS 89 Ca 0.43 0.48 0.04 0.00 0.02 0.00 0.00 55.97 56.95 1ik0 s LYS 89 Cb -0.10 -2.48 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 1ik0 s LYS 89 CO 0.36 0.13 -0.09 0.96 -0.92 0.00 0.00 175.35 175.79 1ik0 s ILE 90 N -2.08 1.11 0.50 2.17 -4.36 0.18 -4.85 121.20 113.86 1ik0 s ILE 90 Ca 0.51 -2.05 -0.22 0.00 -0.26 0.00 0.00 60.65 58.63 1ik0 s ILE 90 Cb -0.10 -1.85 -0.06 0.00 1.25 0.00 0.00 42.46 41.69 1ik0 s ILE 90 CO 0.23 -0.74 1.23 -1.61 0.24 0.00 0.00 174.94 174.30 1ik0 s GLU 91 N -3.76 3.50 0.26 0.37 2.02 -1.26 0.71 118.70 120.54 1ik0 s GLU 91 Ca 0.17 1.94 -0.04 0.00 0.02 0.00 0.00 54.97 57.06 1ik0 s GLU 91 Cb 0.03 -2.33 0.37 0.00 0.10 0.00 0.00 34.13 32.30 1ik0 s GLU 91 CO 0.00 -0.81 1.88 0.28 0.02 0.00 0.00 175.26 176.64 1ik0 h VAL 92 N 1.67 1.11 -0.87 2.63 2.07 -1.85 -1.45 116.25 119.55 1ik0 h VAL 92 Ca -0.50 -0.40 0.18 0.00 0.82 0.00 0.00 66.70 66.80 1ik0 h VAL 92 Cb 1.27 -0.16 -0.11 0.00 -1.52 0.00 0.00 31.29 30.77 1ik0 h VAL 92 CO 0.59 0.21 0.43 0.00 0.02 0.00 0.00 177.57 178.82 1ik0 h ALA 93 N 1.43 1.36 -0.06 1.67 0.00 -1.90 -0.06 119.26 121.69 1ik0 h ALA 93 Ca 0.41 0.11 -0.25 0.00 0.00 0.00 0.00 54.91 55.18 1ik0 h ALA 93 Cb 0.12 0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.97 1ik0 h ALA 93 CO -0.16 -0.18 -0.94 1.96 0.00 0.00 0.00 179.25 179.93 1ik0 h GLN 94 N 0.54 0.74 -0.00 0.00 4.20 -1.66 -2.85 115.11 116.08 1ik0 h GLN 94 Ca 0.51 -0.71 0.00 0.00 0.06 0.00 0.00 58.65 58.50 1ik0 h GLN 94 Cb 0.82 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.78 1ik0 h GLN 94 CO -0.43 1.30 0.00 0.35 -0.67 0.00 0.00 178.83 179.38 1ik0 h PHE 95 N 0.45 0.00 -0.34 2.96 3.04 -0.40 0.35 116.94 123.01 1ik0 h PHE 95 Ca -0.10 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.84 1ik0 h PHE 95 Cb 1.58 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 40.08 1ik0 h PHE 95 CO 0.10 0.00 0.17 0.28 -2.02 0.00 0.00 178.31 176.83 1ik0 h VAL 96 N 0.00 1.16 -0.41 1.41 2.07 -1.15 -1.27 116.25 118.06 1ik0 h VAL 96 Ca 0.00 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1ik0 h VAL 96 Cb 0.00 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1ik0 h VAL 96 CO -0.00 0.17 0.27 0.11 0.02 0.00 0.00 177.57 178.14 1ik0 h LYS 97 N 0.41 0.54 -0.78 1.57 1.57 -1.29 -0.55 116.57 118.05 1ik0 h LYS 97 Ca 0.12 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1ik0 h LYS 97 Cb 0.11 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1ik0 h LYS 97 CO -0.02 0.36 0.51 -0.44 -0.57 0.00 0.00 179.45 179.30 1ik0 h ASP 98 N 0.56 0.89 -0.93 0.86 3.32 -0.72 -1.80 116.42 118.60 1ik0 h ASP 98 Ca 0.15 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1ik0 h ASP 98 Cb -0.06 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.22 1ik0 h ASP 98 CO -0.03 0.64 0.54 0.25 -1.72 0.00 0.00 179.24 178.92 1ik0 h LEU 99 N 1.05 1.14 -0.79 1.55 5.85 -0.64 -2.81 115.31 120.65 1ik0 h LEU 99 Ca 0.29 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.99 1ik0 h LEU 99 Cb -0.12 -0.29 -0.06 0.00 0.37 0.00 0.00 40.66 40.56 1ik0 h LEU 99 CO -0.06 0.89 0.47 0.25 -0.34 0.00 0.00 178.44 179.64 1ik0 h LEU 100 N 1.29 0.70 -0.88 2.25 5.85 -0.22 -0.85 115.31 123.45 1ik0 h LEU 100 Ca 0.33 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.08 1ik0 h LEU 100 Cb -0.02 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1ik0 h LEU 100 CO -0.06 0.44 0.56 -0.07 -0.34 0.00 0.00 178.44 178.97 1ik0 h LEU 101 N 0.83 1.03 -0.35 2.25 -0.00 -1.35 -2.63 115.31 115.09 1ik0 h LEU 101 Ca 0.36 -0.04 -0.17 0.00 -0.00 0.00 0.00 57.88 58.02 1ik0 h LEU 101 Cb 0.23 -0.26 -0.00 0.00 -0.00 0.00 0.00 40.66 40.63 1ik0 h LEU 101 CO -0.20 0.76 -0.45 0.45 -0.00 0.00 0.00 178.44 179.01 1ik0 h HIS 102 N 1.20 1.13 0.00 1.13 3.86 -1.36 -2.04 115.15 119.08 1ik0 h HIS 102 Ca 0.32 -0.36 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1ik0 h HIS 102 Cb -0.10 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.14 1ik0 h HIS 102 CO -0.01 1.20 -0.00 -0.07 0.86 0.00 0.00 177.93 179.91 1ik0 h LEU 103 N 0.74 -0.01 -1.16 2.43 3.38 -0.89 -2.38 115.31 117.41 1ik0 h LEU 103 Ca 0.04 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1ik0 h LEU 103 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1ik0 h LEU 103 CO 0.11 -0.01 -0.38 0.07 0.09 0.00 0.00 178.44 178.32 1ik0 h LYS 104 N -0.01 0.00 -0.26 1.13 2.10 -1.53 -3.19 116.57 114.81 1ik0 h LYS 104 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1ik0 h LYS 104 Cb 0.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.33 1ik0 h LYS 104 CO -0.00 0.38 0.05 -0.22 -2.00 0.00 0.00 179.45 177.66 1ik0 h LYS 105 N 0.00 0.42 -0.03 0.07 3.64 -0.87 -2.71 116.57 117.09 1ik0 h LYS 105 Ca -0.00 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1ik0 h LYS 105 Cb 0.77 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1ik0 h LYS 105 CO 0.05 0.53 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.63 1ik0 h LEU 106 N 0.24 0.04 -1.01 5.20 -0.00 -1.45 -1.81 115.31 116.53 1ik0 h LEU 106 Ca 0.08 -0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.97 1ik0 h LEU 106 Cb 0.31 -0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 40.91 1ik0 h LEU 106 CO 0.00 0.10 0.67 0.15 -0.00 0.00 0.00 178.44 179.36 1ik0 h PHE 107 N 0.04 1.27 -0.65 1.13 3.57 -1.51 0.29 116.94 121.07 1ik0 h PHE 107 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1ik0 h PHE 107 Cb 0.13 -0.43 -0.03 0.00 2.79 0.00 0.00 35.95 38.41 1ik0 h PHE 107 CO 0.00 0.80 0.42 0.00 -2.23 0.00 0.00 178.31 177.30 1ik0 h ARG 108 N 1.37 0.87 0.00 1.11 3.08 -1.29 -0.92 114.38 118.59 1ik0 h ARG 108 Ca 0.37 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1ik0 h ARG 108 Cb -0.16 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.70 1ik0 h ARG 108 CO -0.08 0.58 -0.24 0.93 -1.07 0.00 0.00 179.97 180.10 1ik0 h GLU 109 N 0.89 0.00 0.00 0.04 5.08 -1.26 -3.46 114.58 115.86 1ik0 h GLU 109 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1ik0 h GLU 109 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1ik0 h GLU 109 CO -0.05 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.37 1ik0 n GLY 110 N 1.27 0.41 3.43 -3.84 0.00 -0.02 -4.94 105.19 101.51 1ik0 n GLY 110 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 1ik0 n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ik0 s ARG 111 N -0.67 3.11 -0.16 1.61 0.52 -1.22 -5.02 118.95 117.12 1ik0 s ARG 111 Ca 0.00 -0.97 -0.14 0.00 -0.52 0.00 0.00 55.73 54.10 1ik0 s ARG 111 Cb 0.00 -4.16 -0.05 0.00 0.52 0.00 0.00 34.95 31.27 1ik0 s ARG 111 CO 0.00 -1.40 0.30 -0.06 0.02 0.00 0.00 175.30 174.17 1ik0 s PHE 112 N 2.89 3.46 0.00 -0.53 0.08 -1.26 -4.82 117.98 117.80 1ik0 s PHE 112 Ca 0.16 0.61 0.00 0.00 0.12 0.00 0.00 56.93 57.82 1ik0 s PHE 112 Cb -0.20 -2.36 0.00 0.00 -0.57 0.00 0.00 43.02 39.89 1ik0 s PHE 112 CO 0.11 0.23 0.00 -1.71 -0.10 0.00 0.00 175.22 173.74