#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 1.57 0.99 3.03 0.00 -1.26 -4.98 107.32 106.66 1ik0 s GLY 2 Ca 0.00 -0.40 -0.18 0.00 0.00 0.00 0.00 44.72 44.14 1ik0 s GLY 2 CO 0.00 0.20 -0.38 -1.05 0.00 0.00 0.00 173.10 171.88 1ik0 n PRO 3 N -4.08 -1.16 -2.78 2.90 -0.02 -1.26 -4.90 135.00 123.70 1ik0 n PRO 3 Ca 0.05 -0.33 -0.37 0.00 -2.02 0.00 0.00 63.50 60.83 1ik0 n PRO 3 Cb 0.58 -1.36 -0.06 0.00 -0.02 0.00 0.00 33.50 32.64 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 -2.10 4.22 1.05 -1.45 -7.23 -1.26 -5.04 120.40 108.59 1ik0 s VAL 4 Ca 0.39 1.80 -0.12 0.00 -1.81 0.00 0.00 61.98 62.24 1ik0 s VAL 4 Cb -0.02 -3.98 0.22 0.00 0.56 0.00 0.00 36.38 33.15 1ik0 s VAL 4 CO 0.50 0.11 1.07 -2.16 -0.31 0.00 0.00 175.10 174.31 1ik0 s PRO 5 N -2.13 0.02 0.23 4.82 0.04 -1.26 -4.74 135.00 131.98 1ik0 s PRO 5 Ca 0.51 0.97 -0.07 0.00 0.04 0.00 0.00 61.00 62.45 1ik0 s PRO 5 Cb -0.18 -1.65 0.22 0.00 0.04 0.00 0.00 34.50 32.93 1ik0 s PRO 5 CO 0.23 -3.13 1.89 -1.00 0.04 0.00 0.00 177.00 175.02 1ik0 h PRO 6 N -2.20 1.24 -0.77 0.56 0.13 -1.99 -1.75 132.00 127.22 1ik0 h PRO 6 Ca -0.55 -0.11 -0.04 0.00 -0.87 0.00 0.00 66.00 64.44 1ik0 h PRO 6 Cb 1.31 -0.26 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 1ik0 h PRO 6 CO 0.50 0.86 0.33 0.66 -0.23 0.00 0.00 178.00 180.11 1ik0 h SER 7 N 1.27 1.04 -0.42 1.44 4.64 -1.96 -1.11 113.55 118.44 1ik0 h SER 7 Ca 0.33 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.40 1ik0 h SER 7 Cb -0.07 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.74 1ik0 h SER 7 CO -0.06 0.90 -0.15 0.74 -0.87 0.00 0.00 176.83 177.40 1ik0 h THR 8 N 1.11 1.28 -0.16 2.95 2.02 -1.80 -0.56 112.91 117.75 1ik0 h THR 8 Ca 0.26 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 66.17 1ik0 h THR 8 Cb 0.18 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1ik0 h THR 8 CO -0.03 0.43 0.11 0.00 0.37 0.00 0.00 175.52 176.40 1ik0 h ALA 9 N 0.84 0.20 -0.23 6.16 0.00 -0.93 0.20 119.26 125.51 1ik0 h ALA 9 Ca 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ik0 h ALA 9 Cb 0.69 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1ik0 h ALA 9 CO 0.05 -0.31 0.14 1.25 0.00 0.00 0.00 179.25 180.38 1ik0 h LEU 10 N 0.21 0.27 -0.71 0.00 5.85 -1.10 0.12 115.31 119.95 1ik0 h LEU 10 Ca 0.06 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1ik0 h LEU 10 Cb -0.02 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1ik0 h LEU 10 CO -0.01 0.23 0.47 0.03 -0.34 0.00 0.00 178.44 178.82 1ik0 h ARG 11 N 0.29 0.94 -0.72 1.25 2.47 -0.74 0.93 114.38 118.79 1ik0 h ARG 11 Ca 0.08 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.68 1ik0 h ARG 11 Cb 0.01 -0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.09 1ik0 h ARG 11 CO -0.02 0.62 0.17 0.93 0.56 0.00 0.00 179.97 182.24 1ik0 h GLU 12 N 0.97 1.15 -0.06 0.04 4.39 -0.22 -1.00 114.58 119.86 1ik0 h GLU 12 Ca 0.26 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1ik0 h GLU 12 Cb -0.11 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.38 1ik0 h GLU 12 CO -0.06 1.01 0.01 1.25 -1.16 0.00 0.00 179.01 180.06 1ik0 h LEU 13 N 1.09 0.09 -0.01 1.33 5.85 -0.03 -1.13 115.31 122.50 1ik0 h LEU 13 Ca 0.22 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1ik0 h LEU 13 Cb 0.38 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1ik0 h LEU 13 CO 0.00 0.31 0.00 0.40 -0.34 0.00 0.00 178.44 178.82 1ik0 h ILE 14 N -0.14 1.01 -0.97 4.05 2.04 -0.71 0.20 117.51 122.99 1ik0 h ILE 14 Ca 0.02 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1ik0 h ILE 14 Cb 0.26 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1ik0 h ILE 14 CO 0.00 0.01 0.62 -0.33 0.00 0.00 0.00 178.15 178.45 1ik0 h GLU 15 N -0.01 1.30 -0.17 2.37 5.08 -1.15 -1.54 114.58 120.46 1ik0 h GLU 15 Ca 0.00 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.16 1ik0 h GLU 15 Cb 0.01 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 1ik0 h GLU 15 CO -0.00 0.88 -0.30 1.49 -1.00 0.00 0.00 179.01 180.09 1ik0 h GLU 16 N 1.33 0.50 -0.76 2.33 4.81 -0.94 -2.25 114.58 119.60 1ik0 h GLU 16 Ca 0.35 -0.31 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1ik0 h GLU 16 Cb -0.11 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 1ik0 h GLU 16 CO -0.07 0.91 0.50 -0.07 -0.73 0.00 0.00 179.01 179.55 1ik0 h LEU 17 N 0.15 0.88 -0.74 1.64 3.38 -0.75 -2.15 115.31 117.72 1ik0 h LEU 17 Ca 0.01 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1ik0 h LEU 17 Cb 0.88 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1ik0 h LEU 17 CO 0.07 0.64 0.22 0.58 0.09 0.00 0.00 178.44 180.03 1ik0 h VAL 18 N 1.03 1.26 -0.55 1.22 2.07 -1.28 -2.03 116.25 117.98 1ik0 h VAL 18 Ca 0.28 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1ik0 h VAL 18 Cb -0.11 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 1ik0 h VAL 18 CO -0.06 0.36 0.36 0.78 0.02 0.00 0.00 177.57 179.03 1ik0 h ASN 19 N 1.10 0.61 1.73 0.57 2.35 -0.77 -0.53 115.58 120.63 1ik0 h ASN 19 Ca 0.24 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.93 1ik0 h ASN 19 Cb 0.33 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1ik0 h ASN 19 CO -0.00 0.44 -0.21 0.16 -1.65 0.00 0.00 177.43 176.16 1ik0 h ILE 20 N 0.72 0.37 -0.02 2.81 3.07 -1.32 -3.28 117.51 119.87 1ik0 h ILE 20 Ca 0.21 -1.49 0.00 0.00 1.55 0.00 0.00 64.86 65.13 1ik0 h ILE 20 Cb -0.06 2.15 0.00 0.00 -0.27 0.00 0.00 36.82 38.64 1ik0 h ILE 20 CO -0.06 0.21 -0.37 0.35 -1.05 0.00 0.00 178.15 177.23 1ik0 n THR 21 N -3.16 0.00 -0.08 0.16 -2.24 -0.77 -4.01 114.28 104.18 1ik0 n THR 21 Ca 0.03 -0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.44 1ik0 n THR 21 Cb 0.60 1.13 -0.06 0.00 -2.10 0.00 0.00 70.33 69.90 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 2.52 0.00 -1.03 -0.78 1.08 -1.16 -3.38 115.11 112.37 1ik0 h GLN 22 Ca 0.00 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.70 1ik0 h GLN 22 Cb 0.74 0.00 -0.27 0.00 -0.05 0.00 0.00 27.48 27.90 1ik0 h GLN 22 CO 0.00 0.50 0.64 0.27 -0.95 0.00 0.00 178.83 179.29 1ik0 n ASN 23 N -4.60 4.64 -4.71 1.46 2.04 -1.26 -4.96 115.26 107.88 1ik0 n ASN 23 Ca -0.14 -3.49 -0.42 0.00 -0.44 0.00 0.00 54.58 50.10 1ik0 n ASN 23 Cb 0.37 -0.85 -0.03 0.00 -2.53 0.00 0.00 39.78 36.74 1ik0 n ASN 23 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ik0 s GLN 24 N -3.06 4.53 0.00 -3.83 0.00 -1.26 -4.98 119.66 111.06 1ik0 s GLN 24 Ca 0.53 1.33 0.00 0.00 -0.00 0.00 0.00 55.36 57.22 1ik0 s GLN 24 Cb 0.43 -3.47 0.00 0.00 0.00 0.00 0.00 33.01 29.98 1ik0 s GLN 24 CO 0.07 -0.06 0.00 1.17 0.00 0.00 0.00 175.29 176.47 1ik0 n LYS 25 N 3.98 0.00 -1.92 9.60 4.81 -1.26 -4.92 118.16 128.45 1ik0 n LYS 25 Ca 0.05 0.21 -0.30 0.00 -0.87 0.00 0.00 58.31 57.40 1ik0 n LYS 25 Cb 0.51 -0.66 0.03 0.00 0.02 0.00 0.00 35.03 34.93 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 -3.54 3.00 1.14 3.14 0.00 -1.26 -5.03 121.76 119.21 1ik0 s ALA 26 Ca 0.00 -0.27 -0.16 0.00 0.00 0.00 0.00 51.96 51.53 1ik0 s ALA 26 Cb 0.00 -3.01 0.19 0.00 0.00 0.00 0.00 23.12 20.30 1ik0 s ALA 26 CO 0.00 -0.94 0.50 -0.35 0.00 0.00 0.00 175.76 174.97 1ik0 n PRO 27 N -2.87 -1.99 0.27 0.00 -0.04 -1.26 -4.85 135.00 124.25 1ik0 n PRO 27 Ca 0.06 -0.56 0.16 0.00 -0.04 0.00 0.00 63.50 63.13 1ik0 n PRO 27 Cb 0.56 -1.93 0.73 0.00 -0.04 0.00 0.00 33.50 32.82 1ik0 n PRO 27 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ik0 h LEU 28 N -2.36 0.00 -8.41 1.53 3.38 -1.96 -3.45 115.31 104.05 1ik0 h LEU 28 Ca -0.57 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.25 1ik0 h LEU 28 Cb 1.35 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.97 1ik0 h LEU 28 CO 0.43 0.06 -0.37 0.00 0.09 0.00 0.00 178.44 178.65 1ik0 n ASN 30 N -0.32 2.13 -0.20 0.00 2.85 -1.26 -4.10 115.26 114.36 1ik0 n ASN 30 Ca -0.00 -1.96 -0.03 0.00 -0.11 0.00 0.00 54.58 52.48 1ik0 n ASN 30 Cb 0.64 -0.61 -0.01 0.00 1.24 0.00 0.00 39.78 41.04 1ik0 n ASN 30 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ik0 n GLY 31 N 3.26 0.55 3.78 8.20 0.00 -1.26 -4.97 105.19 114.75 1ik0 n GLY 31 Ca 0.18 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.36 6.25 0.28 1.61 0.01 -1.26 -4.87 113.70 113.36 1ik0 s SER 32 Ca 0.00 3.00 0.11 0.00 1.31 0.00 0.00 55.95 60.38 1ik0 s SER 32 Cb 0.00 -2.66 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 1ik0 s SER 32 CO 0.00 -0.93 -0.15 -0.04 0.41 0.00 0.00 173.24 172.53 1ik0 s MET 33 N -2.17 1.83 0.18 12.44 -1.94 -1.26 -2.54 119.30 125.84 1ik0 s MET 33 Ca 0.54 -1.68 0.06 0.00 -1.71 0.00 0.00 55.69 52.90 1ik0 s MET 33 Cb -0.45 -1.86 -0.05 0.00 2.01 0.00 0.00 34.83 34.47 1ik0 s MET 33 CO 0.61 0.34 -0.11 0.14 -0.01 0.00 0.00 175.02 175.99 1ik0 s VAL 34 N -2.47 1.39 0.26 -6.03 -7.23 0.40 -4.83 120.40 101.90 1ik0 s VAL 34 Ca 0.30 -2.12 -0.29 0.00 -1.81 0.00 0.00 61.98 58.06 1ik0 s VAL 34 Cb -0.05 -1.99 -0.09 0.00 0.56 0.00 0.00 36.38 34.80 1ik0 s VAL 34 CO 0.16 -0.63 1.19 0.26 -0.31 0.00 0.00 175.10 175.77 1ik0 s TRP 35 N -3.19 3.38 0.60 2.82 0.52 -1.26 -0.34 118.94 121.47 1ik0 s TRP 35 Ca 0.20 1.52 -0.17 0.00 0.02 0.00 0.00 56.10 57.67 1ik0 s TRP 35 Cb 0.02 -3.45 -0.03 0.00 -1.15 0.00 0.00 33.47 28.86 1ik0 s TRP 35 CO 0.04 -1.16 1.12 -1.54 0.02 0.00 0.00 176.95 175.43 1ik0 s SER 36 N -0.44 5.42 0.19 2.95 1.04 -1.19 -4.87 113.70 116.81 1ik0 s SER 36 Ca 0.49 2.07 0.05 0.00 0.48 0.00 0.00 55.95 59.03 1ik0 s SER 36 Cb -0.35 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.16 1ik0 s SER 36 CO 0.43 -1.42 -0.07 0.27 0.98 0.00 0.00 173.24 173.43 1ik0 s ILE 37 N -2.08 1.22 -0.24 -1.02 -4.36 -1.26 -4.95 121.20 108.51 1ik0 s ILE 37 Ca 0.69 -2.07 -0.19 0.00 -0.26 0.00 0.00 60.65 58.82 1ik0 s ILE 37 Cb -0.22 -2.07 -0.02 0.00 1.25 0.00 0.00 42.46 41.40 1ik0 s ILE 37 CO 0.34 -0.56 0.58 0.20 0.24 0.00 0.00 174.94 175.74 1ik0 s ASN 38 N -3.25 6.54 -0.32 4.36 0.02 -1.26 -5.02 114.94 116.02 1ik0 s ASN 38 Ca 0.22 0.66 -0.29 0.00 -1.02 0.00 0.00 52.86 52.43 1ik0 s ASN 38 Cb 0.03 -2.31 0.02 0.00 0.02 0.00 0.00 41.25 39.00 1ik0 s ASN 38 CO 0.05 -0.31 1.07 -0.76 0.02 0.00 0.00 177.10 177.16 1ik0 s LEU 39 N 2.26 3.94 0.00 0.60 2.01 -1.26 -4.79 118.68 121.44 1ik0 s LEU 39 Ca 0.24 1.04 0.00 0.00 0.01 0.00 0.00 54.13 55.43 1ik0 s LEU 39 Cb -0.16 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.52 1ik0 s LEU 39 CO 0.09 -0.87 0.00 0.35 1.01 0.00 0.00 176.35 176.93 1ik0 n THR 40 N 5.85 0.00 0.00 5.49 -2.24 -1.26 -5.07 114.28 117.06 1ik0 n THR 40 Ca 0.12 0.00 0.00 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 -1.20 2.45 -0.29 6.98 0.00 -1.26 -4.77 120.51 122.42 1ik0 n ALA 41 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1ik0 n ALA 41 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 3.49 1.52 0.37 0.00 0.00 -1.26 -4.31 105.19 105.00 1ik0 n GLY 42 Ca 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.74 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 4.09 1.31 -0.30 1.61 0.00 -1.89 -0.52 114.93 119.24 1ik0 h MET 43 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 59.70 59.65 1ik0 h MET 43 Cb 0.47 -0.29 -0.01 0.00 0.00 0.00 0.00 31.60 31.76 1ik0 h MET 43 CO 0.24 0.88 0.15 1.88 0.00 0.00 0.00 176.91 180.05 1ik0 h TYR 44 N 1.35 0.42 -0.11 -0.22 0.05 -1.91 0.29 116.97 116.84 1ik0 h TYR 44 Ca 0.36 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 59.10 1ik0 h TYR 44 Cb -0.14 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 37.46 1ik0 h TYR 44 CO 0.00 0.36 -0.04 0.00 -1.05 0.00 0.00 178.16 177.44 1ik0 h ALA 46 N 0.67 1.07 -0.72 0.00 0.00 -1.02 -1.81 119.26 117.43 1ik0 h ALA 46 Ca 0.03 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1ik0 h ALA 46 Cb 0.47 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1ik0 h ALA 46 CO 0.01 0.49 0.20 0.00 0.00 0.00 0.00 179.25 179.95 1ik0 h ALA 47 N 1.30 0.95 0.07 0.00 0.00 -0.29 -2.75 119.26 118.54 1ik0 h ALA 47 Ca 0.31 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ik0 h ALA 47 Cb -0.11 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.40 1ik0 h ALA 47 CO -0.06 0.66 -0.04 1.25 0.00 0.00 0.00 179.25 181.06 1ik0 h LEU 48 N 1.09 -0.08 -1.50 0.00 5.85 -0.09 -2.10 115.31 118.48 1ik0 h LEU 48 Ca 0.23 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.96 1ik0 h LEU 48 Cb 0.35 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1ik0 h LEU 48 CO -0.00 -0.06 0.34 1.05 -0.34 0.00 0.00 178.44 179.43 1ik0 h GLU 49 N -0.10 0.67 -0.61 1.25 4.11 -1.33 -0.61 114.58 117.96 1ik0 h GLU 49 Ca -0.01 -0.04 -0.09 0.00 0.07 0.00 0.00 59.36 59.29 1ik0 h GLU 49 Cb 0.08 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1ik0 h GLU 49 CO 0.01 0.44 0.03 0.66 0.07 0.00 0.00 179.01 180.23 1ik0 h SER 50 N 0.69 1.03 -0.16 3.06 4.64 -1.16 -2.89 113.55 118.76 1ik0 h SER 50 Ca 0.19 -0.29 -0.15 0.00 -0.47 0.00 0.00 61.79 61.06 1ik0 h SER 50 Cb -0.07 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.73 1ik0 h SER 50 CO -0.04 1.07 -0.44 -0.07 -0.87 0.00 0.00 176.83 176.49 1ik0 h LEU 51 N 0.96 0.77 -0.72 5.97 3.38 -0.67 -2.72 115.31 122.27 1ik0 h LEU 51 Ca 0.18 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1ik0 h LEU 51 Cb 0.53 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1ik0 h LEU 51 CO 0.03 1.09 0.30 -0.38 0.09 0.00 0.00 178.44 179.57 1ik0 n ILE 52 N -4.02 0.67 0.77 1.22 2.08 -0.32 0.19 119.36 119.96 1ik0 n ILE 52 Ca -0.02 0.71 0.12 0.00 0.56 0.00 0.00 62.75 64.12 1ik0 n ILE 52 Cb 0.55 -1.71 0.27 0.00 -0.75 0.00 0.00 39.64 38.01 1ik0 n ILE 52 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1ik0 n ASN 53 N -1.93 0.56 -4.69 4.38 5.03 -1.03 -4.80 115.26 112.77 1ik0 n ASN 53 Ca -0.01 0.09 -0.39 0.00 0.87 0.00 0.00 54.58 55.14 1ik0 n ASN 53 Cb 0.32 0.02 -0.05 0.00 -1.02 0.00 0.00 39.78 39.05 1ik0 n ASN 53 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1ik0 s VAL 54 N -3.09 5.06 0.07 2.41 1.01 0.51 -5.06 120.40 121.32 1ik0 s VAL 54 Ca 0.09 1.24 0.06 0.00 0.00 0.00 0.00 61.98 63.37 1ik0 s VAL 54 Cb 0.15 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1ik0 s VAL 54 CO 0.68 0.21 -0.16 -0.44 0.00 0.00 0.00 175.10 175.38 1ik0 s SER 55 N 0.93 1.96 0.00 3.32 0.01 -1.26 -4.79 113.70 113.86 1ik0 s SER 55 Ca 0.32 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1ik0 s SER 55 Cb -0.16 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 65.97 1ik0 s SER 55 CO 0.13 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.39 1ik0 n GLY 56 N 1.41 0.80 2.65 3.44 0.00 -1.26 -5.04 105.19 107.20 1ik0 n GLY 56 Ca -0.20 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 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 6.93 0.00 0.00 0.00 0.87 -1.96 -3.20 113.55 116.19 1ik0 h SER 58 Ca 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1ik0 h SER 58 Cb 1.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 1ik0 h SER 58 CO 0.22 0.76 0.37 0.00 -0.53 0.00 0.00 176.83 177.65 1ik0 n ALA 59 N -2.34 0.38 -0.27 6.23 0.00 -1.26 0.25 120.51 123.51 1ik0 n ALA 59 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.48 1ik0 n ALA 59 Cb 0.78 -0.42 0.02 0.00 0.00 0.00 0.00 19.45 19.82 1ik0 n ALA 59 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1ik0 n ILE 60 N -1.48 0.96 -0.06 0.00 -5.35 -1.21 -4.71 119.36 107.51 1ik0 n ILE 60 Ca -0.00 -1.01 -0.10 0.00 -0.27 0.00 0.00 62.75 61.38 1ik0 n ILE 60 Cb 0.38 0.48 -0.03 0.00 -1.74 0.00 0.00 39.64 38.73 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 0.31 -0.89 6.28 4.81 0.33 -0.94 114.58 124.48 1ik0 h GLU 61 Ca 0.00 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1ik0 h GLU 61 Cb 0.63 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 1ik0 h GLU 61 CO 0.00 0.20 0.47 0.87 -0.73 0.00 0.00 179.01 179.82 1ik0 h LYS 62 N 0.32 1.26 -1.00 1.92 1.57 -1.85 -2.28 116.57 116.51 1ik0 h LYS 62 Ca 0.09 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1ik0 h LYS 62 Cb -0.03 -0.24 -0.06 0.00 0.08 0.00 0.00 32.23 31.98 1ik0 h LYS 62 CO -0.03 0.93 0.65 1.15 -0.57 0.00 0.00 179.45 181.59 1ik0 h THR 63 N 1.25 1.18 -0.93 -0.16 2.02 -1.62 -1.49 112.91 113.16 1ik0 h THR 63 Ca 0.31 -0.44 0.01 0.00 0.77 0.00 0.00 66.41 67.06 1ik0 h THR 63 Cb 0.06 -0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 66.22 1ik0 h THR 63 CO -0.05 0.23 0.61 1.56 0.37 0.00 0.00 175.52 178.24 1ik0 h GLN 64 N 1.27 1.23 -0.05 6.66 1.08 -0.61 -1.36 115.11 123.33 1ik0 h GLN 64 Ca 0.40 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.51 1ik0 h GLN 64 Cb -0.01 -0.27 -0.00 0.00 -0.05 0.00 0.00 27.48 27.14 1ik0 h GLN 64 CO -0.12 0.82 0.01 0.00 -0.95 0.00 0.00 178.83 178.59 1ik0 h ARG 65 N 1.26 0.08 -0.91 1.46 3.08 -1.14 -2.51 114.38 115.69 1ik0 h ARG 65 Ca 0.34 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 1ik0 h ARG 65 Cb -0.13 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 1ik0 h ARG 65 CO -0.07 0.31 0.51 0.52 -1.07 0.00 0.00 179.97 180.17 1ik0 h MET 66 N -0.17 1.26 -0.95 0.04 2.86 -1.17 -2.27 114.93 114.53 1ik0 h MET 66 Ca 0.01 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1ik0 h MET 66 Cb 0.27 -0.25 -0.05 0.00 0.06 0.00 0.00 31.60 31.63 1ik0 h MET 66 CO 0.00 0.91 0.58 -0.07 1.06 0.00 0.00 176.91 179.39 1ik0 h LEU 67 N 1.27 1.14 -1.20 1.22 3.38 -1.18 -1.72 115.31 118.22 1ik0 h LEU 67 Ca 0.32 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.28 1ik0 h LEU 67 Cb 0.00 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 1ik0 h LEU 67 CO -0.05 0.86 0.55 0.28 0.09 0.00 0.00 178.44 180.18 1ik0 h SER 68 N 1.31 0.87 -1.02 -0.43 0.02 -0.96 -0.79 113.55 112.56 1ik0 h SER 68 Ca 0.34 -0.00 0.28 0.00 -0.84 0.00 0.00 61.79 61.57 1ik0 h SER 68 Cb -0.07 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.23 1ik0 h SER 68 CO -0.07 0.58 0.71 1.23 -1.14 0.00 0.00 176.83 178.15 1ik0 h GLY 69 N 1.00 0.32 -1.42 -3.77 0.00 -1.11 1.20 103.07 99.31 1ik0 h GLY 69 Ca 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1ik0 h GLY 69 CO -0.11 -0.03 -0.04 0.69 0.00 0.00 0.00 176.54 177.05 1ik0 n PHE 70 N -4.33 0.00 -3.59 5.60 3.72 -0.33 -4.57 117.46 113.96 1ik0 n PHE 70 Ca 0.22 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.35 1ik0 n PHE 70 Cb 1.01 -0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.44 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 2.49 0.00 -3.88 0.00 -0.02 -1.20 -4.36 135.00 128.02 1ik0 n PRO 72 Ca 0.26 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.50 1ik0 n PRO 72 Cb 0.43 -1.03 -0.17 0.00 -0.02 0.00 0.00 33.50 32.71 1ik0 n PRO 72 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1ik0 s HIS 73 N -1.30 0.96 0.36 6.00 -3.43 -1.26 -5.13 115.29 111.48 1ik0 s HIS 73 Ca 0.00 -0.37 -0.25 0.00 -0.80 0.00 0.00 55.06 53.65 1ik0 s HIS 73 Cb 0.00 -0.93 -0.10 0.00 -1.43 0.00 0.00 32.58 30.12 1ik0 s HIS 73 CO 0.00 -0.37 0.96 0.15 -2.00 0.00 0.00 174.74 173.48 1ik0 s LYS 74 N 1.73 4.46 -0.10 -0.38 1.02 -1.26 -5.05 119.74 120.16 1ik0 s LYS 74 Ca 0.03 1.30 -0.03 0.00 0.02 0.00 0.00 55.97 57.28 1ik0 s LYS 74 Cb -0.13 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.52 1ik0 s LYS 74 CO -0.05 0.16 0.04 0.08 -0.92 0.00 0.00 175.35 174.66 1ik0 s VAL 75 N -1.75 4.63 0.32 3.17 1.01 -1.26 -5.11 120.40 121.41 1ik0 s VAL 75 Ca 0.54 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.40 1ik0 s VAL 75 Cb -0.17 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 1ik0 s VAL 75 CO 0.22 0.61 0.51 -0.55 0.00 0.00 0.00 175.10 175.89 1ik0 s SER 76 N -0.89 6.31 0.18 3.32 0.15 -1.26 -4.94 113.70 116.57 1ik0 s SER 76 Ca 0.13 0.41 0.12 0.00 0.70 0.00 0.00 55.95 57.31 1ik0 s SER 76 Cb -0.12 -2.01 0.65 0.00 -1.71 0.00 0.00 66.02 62.83 1ik0 s SER 76 CO 0.03 -0.24 1.37 0.00 1.20 0.00 0.00 173.24 175.59 1ik0 n ALA 77 N -1.62 1.02 -0.05 5.45 0.00 -1.26 -1.18 120.51 122.88 1ik0 n ALA 77 Ca -0.05 0.11 0.02 0.00 0.00 0.00 0.00 53.44 53.52 1ik0 n ALA 77 Cb 0.56 -1.18 -0.16 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.39 -0.95 3.65 0.00 0.00 -1.26 -4.90 105.19 100.34 1ik0 n GLY 78 Ca -0.01 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.01 4.14 0.00 1.61 -1.52 -0.32 -5.06 119.66 115.50 1ik0 s GLN 79 Ca -0.08 0.34 0.04 0.00 -1.95 0.00 0.00 55.36 53.71 1ik0 s GLN 79 Cb 0.10 -3.59 -0.01 0.00 -0.22 0.00 0.00 33.01 29.28 1ik0 s GLN 79 CO 0.83 -0.21 -0.13 -0.06 -0.25 0.00 0.00 175.29 175.46 1ik0 s PHE 80 N 1.84 1.19 0.00 0.91 0.08 -1.26 -4.21 117.98 116.54 1ik0 s PHE 80 Ca 0.22 -0.26 0.00 0.00 0.12 0.00 0.00 56.93 57.01 1ik0 s PHE 80 Cb -0.15 -0.75 0.00 0.00 -0.57 0.00 0.00 43.02 41.55 1ik0 s PHE 80 CO 0.09 -0.00 0.00 0.43 -0.10 0.00 0.00 175.22 175.64 1ik0 n SER 81 N 2.52 3.18 0.00 1.36 7.64 -1.26 -4.82 113.62 122.24 1ik0 n SER 81 Ca -0.15 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.83 1ik0 n SER 81 Cb 0.55 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.75 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 -2.40 0.84 -1.04 6.43 2.88 -1.26 -4.27 113.62 114.79 1ik0 n SER 82 Ca 0.00 -0.76 -0.01 0.00 -1.33 0.00 0.00 58.87 56.77 1ik0 n SER 82 Cb 0.43 0.77 0.01 0.00 -0.75 0.00 0.00 64.21 64.67 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 -1.51 3.12 0.08 2.46 4.32 -1.26 -3.88 117.00 120.33 1ik0 n LEU 83 Ca 0.04 -1.57 -0.08 0.00 -0.02 0.00 0.00 56.01 54.38 1ik0 n LEU 83 Cb 0.33 -0.51 -0.07 0.00 -1.62 0.00 0.00 43.42 41.54 1ik0 n LEU 83 CO 0.40 0.52 0.16 0.45 -1.22 0.00 0.00 177.39 177.70 1ik0 h HIS 84 N 0.05 0.15 -4.01 -1.77 3.86 -1.94 -3.45 115.15 108.04 1ik0 h HIS 84 Ca 0.03 -0.10 -0.46 0.00 -1.16 0.00 0.00 60.37 58.68 1ik0 h HIS 84 Cb 1.07 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.53 1ik0 h HIS 84 CO 0.07 1.01 0.37 0.14 0.86 0.00 0.00 177.93 180.38 1ik0 s VAL 85 N -2.88 4.08 -1.11 2.45 -7.23 -1.25 -4.94 120.40 109.51 1ik0 s VAL 85 Ca -0.01 1.43 -0.05 0.00 -1.81 0.00 0.00 61.98 61.55 1ik0 s VAL 85 Cb 0.10 -3.66 0.13 0.00 0.56 0.00 0.00 36.38 33.51 1ik0 s VAL 85 CO 0.83 -0.15 2.40 0.54 -0.31 0.00 0.00 175.10 178.41 1ik0 n ARG 86 N -0.38 4.23 -2.07 4.82 1.74 -1.26 -4.96 116.66 118.77 1ik0 n ARG 86 Ca 0.06 -3.37 -0.27 0.00 -0.77 0.00 0.00 57.85 53.50 1ik0 n ARG 86 Cb 0.52 -2.51 0.10 0.00 -1.02 0.00 0.00 32.46 29.55 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 0.17 4.33 0.52 0.55 1.01 -1.26 -5.08 116.67 116.91 1ik0 s ASP 87 Ca 0.54 0.46 -0.01 0.00 0.71 0.00 0.00 52.55 54.25 1ik0 s ASP 87 Cb 0.23 -0.92 0.01 0.00 1.01 0.00 0.00 42.92 43.25 1ik0 s ASP 87 CO -0.13 -1.95 0.76 0.42 0.21 0.00 0.00 175.17 174.48 1ik0 s THR 88 N -3.48 3.45 0.35 -1.27 -4.23 -1.26 -4.86 115.64 104.34 1ik0 s THR 88 Ca 0.64 -0.45 -0.11 0.00 -1.18 0.00 0.00 61.69 60.59 1ik0 s THR 88 Cb -0.09 -3.31 -0.07 0.00 1.34 0.00 0.00 72.50 70.37 1ik0 s THR 88 CO 0.48 -0.24 0.72 -0.54 -0.54 0.00 0.00 174.62 174.50 1ik0 s LYS 89 N -4.73 3.83 0.16 3.99 1.02 -1.26 -3.14 119.74 119.62 1ik0 s LYS 89 Ca 0.53 0.47 0.06 0.00 0.02 0.00 0.00 55.97 57.04 1ik0 s LYS 89 Cb -0.10 -2.45 -0.04 0.00 -0.52 0.00 0.00 37.83 34.71 1ik0 s LYS 89 CO 0.40 0.08 -0.12 0.96 -0.92 0.00 0.00 175.35 175.75 1ik0 s ILE 90 N -2.17 1.35 0.38 2.17 -4.36 0.54 -4.86 121.20 114.24 1ik0 s ILE 90 Ca 0.51 -2.10 -0.28 0.00 -0.26 0.00 0.00 60.65 58.53 1ik0 s ILE 90 Cb -0.10 -1.90 -0.10 0.00 1.25 0.00 0.00 42.46 41.61 1ik0 s ILE 90 CO 0.26 -0.69 1.40 -1.61 0.24 0.00 0.00 174.94 174.54 1ik0 s GLU 91 N -3.68 4.11 0.25 0.37 0.41 -1.26 -0.45 118.70 118.45 1ik0 s GLU 91 Ca 0.18 2.39 -0.05 0.00 -0.41 0.00 0.00 54.97 57.08 1ik0 s GLU 91 Cb 0.01 -2.93 0.30 0.00 -1.78 0.00 0.00 34.13 29.73 1ik0 s GLU 91 CO 0.03 -0.46 1.92 0.28 -0.49 0.00 0.00 175.26 176.53 1ik0 h VAL 92 N 2.83 1.21 -1.00 2.63 2.07 -1.83 -1.21 116.25 120.95 1ik0 h VAL 92 Ca -0.50 -0.45 0.11 0.00 0.82 0.00 0.00 66.70 66.68 1ik0 h VAL 92 Cb 1.24 -0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 30.71 1ik0 h VAL 92 CO 0.64 0.24 0.64 0.00 0.02 0.00 0.00 177.57 179.11 1ik0 h ALA 93 N 1.39 1.49 -0.04 1.67 0.00 -1.90 0.11 119.26 121.99 1ik0 h ALA 93 Ca 0.39 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.13 1ik0 h ALA 93 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1ik0 h ALA 93 CO -0.11 0.28 -0.76 0.37 0.00 0.00 0.00 179.25 179.03 1ik0 h GLN 94 N 1.04 0.26 -0.26 0.00 4.15 -1.68 -2.87 115.11 115.76 1ik0 h GLN 94 Ca 0.48 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.67 1ik0 h GLN 94 Cb 0.41 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 1ik0 h GLN 94 CO -0.24 0.90 0.17 0.35 -1.93 0.00 0.00 178.83 178.08 1ik0 h PHE 95 N 0.17 0.32 -0.48 3.99 3.04 0.10 -1.00 116.94 123.08 1ik0 h PHE 95 Ca -0.03 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.90 1ik0 h PHE 95 Cb 1.34 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 39.72 1ik0 h PHE 95 CO 0.03 0.21 0.22 0.28 -2.02 0.00 0.00 178.31 177.03 1ik0 h VAL 96 N 0.34 1.20 -0.34 1.41 2.07 -1.18 -1.42 116.25 118.32 1ik0 h VAL 96 Ca 0.09 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1ik0 h VAL 96 Cb -0.03 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1ik0 h VAL 96 CO -0.02 0.22 0.22 0.11 0.02 0.00 0.00 177.57 178.12 1ik0 h LYS 97 N 0.64 0.46 -0.99 1.57 1.57 -1.26 0.18 116.57 118.74 1ik0 h LYS 97 Ca 0.16 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1ik0 h LYS 97 Cb 0.15 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1ik0 h LYS 97 CO -0.02 0.32 0.65 -0.44 -0.57 0.00 0.00 179.45 179.39 1ik0 h ASP 98 N 0.45 1.14 -0.32 0.86 3.32 -1.01 -1.19 116.42 119.68 1ik0 h ASP 98 Ca 0.12 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 1ik0 h ASP 98 Cb -0.02 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 1ik0 h ASP 98 CO -0.03 0.83 -0.01 0.25 -1.72 0.00 0.00 179.24 178.57 1ik0 h LEU 99 N 1.34 0.64 -0.70 1.55 5.85 -0.47 -2.98 115.31 120.55 1ik0 h LEU 99 Ca 0.36 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.97 1ik0 h LEU 99 Cb -0.14 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 1ik0 h LEU 99 CO -0.08 0.72 0.44 0.25 -0.34 0.00 0.00 178.44 179.44 1ik0 h LEU 100 N 0.64 0.73 -0.44 2.25 5.85 0.61 -0.69 115.31 124.25 1ik0 h LEU 100 Ca 0.13 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1ik0 h LEU 100 Cb 0.41 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1ik0 h LEU 100 CO 0.02 0.51 0.29 -0.07 -0.34 0.00 0.00 178.44 178.85 1ik0 h LEU 101 N 0.87 0.51 -0.41 2.25 -0.00 -1.36 -2.84 115.31 114.33 1ik0 h LEU 101 Ca 0.28 -0.01 -0.15 0.00 -0.00 0.00 0.00 57.88 57.99 1ik0 h LEU 101 Cb 0.01 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.53 1ik0 h LEU 101 CO -0.10 0.37 -0.34 0.45 -0.00 0.00 0.00 178.44 178.81 1ik0 h HIS 102 N 0.60 1.14 -0.04 1.13 3.86 -1.51 -2.57 115.15 117.76 1ik0 h HIS 102 Ca 0.16 -0.32 0.02 0.00 -1.16 0.00 0.00 60.37 59.07 1ik0 h HIS 102 Cb -0.07 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.13 1ik0 h HIS 102 CO -0.05 1.16 -0.07 -0.07 0.86 0.00 0.00 177.93 179.76 1ik0 h LEU 103 N 0.79 -0.22 -1.34 2.43 3.38 -0.93 -0.90 115.31 118.52 1ik0 h LEU 103 Ca 0.07 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ik0 h LEU 103 Cb 0.93 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1ik0 h LEU 103 CO 0.09 -0.11 0.00 0.07 0.09 0.00 0.00 178.44 178.58 1ik0 h LYS 104 N -0.11 0.00 -0.19 1.13 2.10 -1.56 -3.13 116.57 114.80 1ik0 h LYS 104 Ca 0.04 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.66 1ik0 h LYS 104 Cb 0.17 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.49 1ik0 h LYS 104 CO -0.10 0.00 0.01 -0.22 -2.00 0.00 0.00 179.45 177.13 1ik0 h LYS 105 N 0.00 0.33 0.00 0.07 3.64 -0.74 -2.85 116.57 117.03 1ik0 h LYS 105 Ca 0.00 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1ik0 h LYS 105 Cb 0.48 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1ik0 h LYS 105 CO 0.00 0.53 -0.14 -0.07 -2.27 0.00 0.00 179.45 177.50 1ik0 h LEU 106 N 0.10 0.00 -1.02 5.20 -0.00 -1.44 -2.25 115.31 115.91 1ik0 h LEU 106 Ca 0.06 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.95 1ik0 h LEU 106 Cb 0.37 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.98 1ik0 h LEU 106 CO 0.01 0.14 0.66 0.15 -0.00 0.00 0.00 178.44 179.40 1ik0 h PHE 107 N 0.00 1.26 -0.96 1.13 3.57 -1.56 0.14 116.94 120.51 1ik0 h PHE 107 Ca -0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1ik0 h PHE 107 Cb 0.25 -0.42 -0.05 0.00 2.79 0.00 0.00 35.95 38.52 1ik0 h PHE 107 CO 0.00 0.78 0.64 0.00 -2.23 0.00 0.00 178.31 177.50 1ik0 h ARG 108 N 1.34 1.27 0.00 1.11 3.08 -1.38 -1.69 114.38 118.11 1ik0 h ARG 108 Ca 0.37 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1ik0 h ARG 108 Cb -0.13 -0.29 0.00 0.00 0.08 0.00 0.00 29.97 29.64 1ik0 h ARG 108 CO -0.09 0.84 -0.36 0.39 -1.07 0.00 0.00 179.97 179.68 1ik0 n GLU 109 N -4.39 0.26 -1.02 0.04 1.02 -0.71 -4.91 120.64 110.93 1ik0 n GLU 109 Ca 0.11 0.13 -0.01 0.00 -0.02 0.00 0.00 57.16 57.38 1ik0 n GLU 109 Cb 0.02 -1.72 -0.00 0.00 -0.02 0.00 0.00 31.44 29.72 1ik0 n GLU 109 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ik0 n GLY 110 N 1.34 0.28 3.38 0.62 0.00 0.42 -4.94 105.19 106.29 1ik0 n GLY 110 Ca 0.04 -0.03 -0.45 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.21 3.05 -0.26 1.61 0.52 -1.19 -5.02 118.95 116.44 1ik0 s ARG 111 Ca 0.00 -1.29 -0.15 0.00 -0.52 0.00 0.00 55.73 53.77 1ik0 s ARG 111 Cb 0.00 -4.27 -0.04 0.00 0.52 0.00 0.00 34.95 31.17 1ik0 s ARG 111 CO 0.00 -1.56 0.35 -0.06 0.02 0.00 0.00 175.30 174.05 1ik0 s PHE 112 N 2.78 3.26 0.00 -0.53 0.08 -1.26 -4.85 117.98 117.46 1ik0 s PHE 112 Ca 0.12 0.40 0.00 0.00 0.12 0.00 0.00 56.93 57.57 1ik0 s PHE 112 Cb -0.24 -2.54 0.00 0.00 -0.57 0.00 0.00 43.02 39.67 1ik0 s PHE 112 CO 0.06 -0.19 0.00 -1.71 -0.10 0.00 0.00 175.22 173.29