#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 1.59 1.05 -5.12 0.00 -1.26 -5.01 107.32 98.58 1ik0 s GLY 2 Ca 0.00 -0.62 -0.21 0.00 0.00 0.00 0.00 44.72 43.89 1ik0 s GLY 2 CO 0.00 -0.14 -0.52 -1.05 0.00 0.00 0.00 173.10 171.39 1ik0 n PRO 3 N -3.31 -0.81 -2.93 2.90 -0.02 -1.26 -4.93 135.00 124.64 1ik0 n PRO 3 Ca 0.08 -0.22 -0.34 0.00 -2.02 0.00 0.00 63.50 61.00 1ik0 n PRO 3 Cb 0.61 -1.43 -0.07 0.00 -0.02 0.00 0.00 33.50 32.59 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 -2.16 4.47 0.91 -1.45 -7.23 -1.26 -5.05 120.40 108.64 1ik0 s VAL 4 Ca 0.48 1.35 -0.11 0.00 -1.81 0.00 0.00 61.98 61.89 1ik0 s VAL 4 Cb -0.06 -3.68 0.14 0.00 0.56 0.00 0.00 36.38 33.34 1ik0 s VAL 4 CO 0.68 -0.17 1.09 -2.16 -0.31 0.00 0.00 175.10 174.23 1ik0 s PRO 5 N -2.87 1.08 0.24 4.82 0.04 -1.26 -4.75 135.00 132.30 1ik0 s PRO 5 Ca 0.56 1.05 -0.05 0.00 0.04 0.00 0.00 61.00 62.60 1ik0 s PRO 5 Cb -0.11 -1.77 0.32 0.00 0.04 0.00 0.00 34.50 32.98 1ik0 s PRO 5 CO 0.16 -2.43 1.87 -1.00 0.04 0.00 0.00 177.00 175.64 1ik0 h PRO 6 N -1.69 1.02 -0.60 0.56 0.13 -1.99 -1.59 132.00 127.82 1ik0 h PRO 6 Ca -0.49 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.55 1ik0 h PRO 6 Cb 1.28 -0.23 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 1ik0 h PRO 6 CO 0.50 0.67 0.24 0.66 -0.23 0.00 0.00 178.00 179.85 1ik0 h SER 7 N 1.05 0.79 -0.37 1.44 4.64 -1.95 -1.49 113.55 117.66 1ik0 h SER 7 Ca 0.37 -0.10 -0.16 0.00 -0.47 0.00 0.00 61.79 61.44 1ik0 h SER 7 Cb 0.11 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1ik0 h SER 7 CO -0.15 0.71 -0.38 0.74 -0.87 0.00 0.00 176.83 176.88 1ik0 h THR 8 N 0.86 1.28 -0.69 2.95 2.02 -1.73 -1.75 112.91 115.84 1ik0 h THR 8 Ca 0.20 -1.55 -0.01 0.00 0.77 0.00 0.00 66.41 65.83 1ik0 h THR 8 Cb 0.16 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 1ik0 h THR 8 CO -0.02 0.52 0.41 0.00 0.37 0.00 0.00 175.52 176.79 1ik0 h ALA 9 N 0.76 0.88 -0.23 6.16 0.00 -0.84 0.27 119.26 126.26 1ik0 h ALA 9 Ca 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ik0 h ALA 9 Cb 0.97 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1ik0 h ALA 9 CO 0.09 0.37 0.10 1.25 0.00 0.00 0.00 179.25 181.06 1ik0 h LEU 10 N 0.94 0.31 -0.60 0.00 5.85 -1.15 -0.11 115.31 120.55 1ik0 h LEU 10 Ca 0.25 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1ik0 h LEU 10 Cb -0.01 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1ik0 h LEU 10 CO -0.04 0.37 0.39 0.03 -0.34 0.00 0.00 178.44 178.85 1ik0 h ARG 11 N 0.22 0.78 -0.88 1.25 3.08 -0.92 0.26 114.38 118.17 1ik0 h ARG 11 Ca 0.08 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1ik0 h ARG 11 Cb 0.16 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1ik0 h ARG 11 CO -0.01 0.51 0.47 0.93 -1.07 0.00 0.00 179.97 180.81 1ik0 h GLU 12 N 0.80 1.24 -0.10 0.04 5.08 -0.70 -0.73 114.58 120.20 1ik0 h GLU 12 Ca 0.22 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1ik0 h GLU 12 Cb -0.08 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 28.93 1ik0 h GLU 12 CO -0.05 0.91 -0.10 1.25 -1.00 0.00 0.00 179.01 180.02 1ik0 h LEU 13 N 1.24 0.27 -0.23 1.33 5.85 -0.21 -2.40 115.31 121.16 1ik0 h LEU 13 Ca 0.31 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1ik0 h LEU 13 Cb 0.05 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1ik0 h LEU 13 CO -0.05 0.70 0.15 0.40 -0.34 0.00 0.00 178.44 179.30 1ik0 h ILE 14 N -0.16 1.06 -0.84 4.05 2.04 -0.32 -0.66 117.51 122.67 1ik0 h ILE 14 Ca 0.02 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1ik0 h ILE 14 Cb 0.63 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1ik0 h ILE 14 CO 0.03 0.06 0.56 -0.33 0.00 0.00 0.00 178.15 178.46 1ik0 h GLU 15 N 0.31 1.10 -0.34 2.37 5.08 -1.17 -2.16 114.58 119.78 1ik0 h GLU 15 Ca 0.08 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 1ik0 h GLU 15 Cb -0.04 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 28.96 1ik0 h GLU 15 CO -0.02 0.73 -0.41 1.49 -1.00 0.00 0.00 179.01 179.80 1ik0 h GLU 16 N 1.14 0.87 -0.96 2.33 4.81 -1.08 -2.34 114.58 119.35 1ik0 h GLU 16 Ca 0.31 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1ik0 h GLU 16 Cb -0.12 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.24 1ik0 h GLU 16 CO -0.07 1.13 0.62 -0.07 -0.73 0.00 0.00 179.01 179.88 1ik0 h LEU 17 N 0.66 1.12 -0.37 1.64 3.38 -0.90 -2.21 115.31 118.62 1ik0 h LEU 17 Ca 0.04 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1ik0 h LEU 17 Cb 1.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1ik0 h LEU 17 CO 0.10 0.83 -0.02 0.58 0.09 0.00 0.00 178.44 180.02 1ik0 h VAL 18 N 1.31 1.26 -0.91 1.22 2.07 -1.30 -2.70 116.25 117.19 1ik0 h VAL 18 Ca 0.35 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.85 1ik0 h VAL 18 Cb -0.12 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 1ik0 h VAL 18 CO -0.07 0.34 0.60 -1.13 0.02 0.00 0.00 177.57 177.33 1ik0 h ASN 19 N 0.48 1.05 1.57 0.57 -0.73 -0.97 0.37 115.58 117.93 1ik0 h ASN 19 Ca 0.10 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.24 1ik0 h ASN 19 Cb 0.49 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 38.82 1ik0 h ASN 19 CO 0.02 0.77 0.00 0.16 -0.37 0.00 0.00 177.43 178.01 1ik0 h ILE 20 N 1.24 0.00 0.00 2.57 3.07 -1.35 -3.26 117.51 119.78 1ik0 h ILE 20 Ca 0.33 -0.70 -0.28 0.00 1.55 0.00 0.00 64.86 65.76 1ik0 h ILE 20 Cb -0.14 1.67 -0.05 0.00 -0.27 0.00 0.00 36.82 38.03 1ik0 h ILE 20 CO -0.07 0.00 -2.28 0.35 -1.05 0.00 0.00 178.15 175.09 1ik0 n THR 21 N -2.78 1.08 -0.06 0.16 -2.24 -0.93 -3.91 114.28 105.60 1ik0 n THR 21 Ca 0.04 -0.78 -0.14 0.00 -2.27 0.00 0.00 64.05 60.89 1ik0 n THR 21 Cb 0.44 -0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 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 0.83 -0.63 -0.78 1.08 -1.02 -3.13 115.11 111.46 1ik0 h GLN 22 Ca -0.42 -0.54 -0.03 0.00 -1.45 0.00 0.00 58.65 56.21 1ik0 h GLN 22 Cb 1.96 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 29.45 1ik0 h GLN 22 CO 0.02 1.17 0.03 0.09 -0.95 0.00 0.00 178.83 179.20 1ik0 n ASN 23 N -3.99 5.32 -4.66 1.46 4.13 -1.23 -4.93 115.26 111.35 1ik0 n ASN 23 Ca -0.05 -2.90 -0.42 0.00 1.68 0.00 0.00 54.58 52.89 1ik0 n ASN 23 Cb 0.64 -0.68 -0.03 0.00 -1.54 0.00 0.00 39.78 38.17 1ik0 n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ik0 s GLN 24 N -2.66 4.29 0.00 3.52 -2.07 -1.19 -4.97 119.66 116.58 1ik0 s GLN 24 Ca 0.51 1.17 0.00 0.00 -1.82 0.00 0.00 55.36 55.22 1ik0 s GLN 24 Cb 0.39 -3.60 0.00 0.00 -1.09 0.00 0.00 33.01 28.71 1ik0 s GLN 24 CO 0.14 -0.45 0.00 1.17 -1.32 0.00 0.00 175.29 174.83 1ik0 n LYS 25 N 5.66 0.00 -2.40 9.60 4.81 -1.26 -4.91 118.16 129.66 1ik0 n LYS 25 Ca 0.08 0.13 -0.31 0.00 -0.87 0.00 0.00 58.31 57.33 1ik0 n LYS 25 Cb 0.48 -0.54 -0.02 0.00 0.02 0.00 0.00 35.03 34.96 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 -3.82 3.16 1.00 3.14 0.00 -1.26 -5.00 121.76 118.98 1ik0 s ALA 26 Ca 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 51.96 51.76 1ik0 s ALA 26 Cb 0.00 -2.98 -0.11 0.00 0.00 0.00 0.00 23.12 20.02 1ik0 s ALA 26 CO 0.00 -0.29 -0.73 -2.30 0.00 0.00 0.00 175.76 172.44 1ik0 n PRO 27 N -1.81 -0.18 0.28 0.00 -0.02 -1.26 -4.77 135.00 127.25 1ik0 n PRO 27 Ca 0.05 -0.04 0.15 0.00 -2.02 0.00 0.00 63.50 61.64 1ik0 n PRO 27 Cb 0.54 -1.20 0.84 0.00 -0.02 0.00 0.00 33.50 33.66 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 -1.18 0.00 0.00 2.45 3.38 -1.96 -3.45 115.31 114.55 1ik0 h LEU 28 Ca -0.43 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.27 1ik0 h LEU 28 Cb 1.33 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.01 1ik0 h LEU 28 CO 0.26 0.07 -0.18 0.00 0.09 0.00 0.00 178.44 178.67 1ik0 n ASN 30 N -1.81 1.74 -1.02 0.00 5.15 -1.26 -4.24 115.26 113.82 1ik0 n ASN 30 Ca 0.02 -1.79 -0.11 0.00 -0.60 0.00 0.00 54.58 52.10 1ik0 n ASN 30 Cb 0.46 -0.46 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 1ik0 n ASN 30 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ik0 n GLY 31 N 2.74 0.56 3.76 8.20 0.00 -1.26 -4.94 105.19 114.25 1ik0 n GLY 31 Ca 0.13 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.70 6.41 0.13 1.61 0.01 -1.26 -4.89 113.70 113.01 1ik0 s SER 32 Ca 0.00 2.95 0.07 0.00 1.31 0.00 0.00 55.95 60.27 1ik0 s SER 32 Cb 0.00 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 1ik0 s SER 32 CO 0.00 -0.86 -0.03 -0.04 0.41 0.00 0.00 173.24 172.72 1ik0 s MET 33 N -1.18 2.36 0.24 12.44 -1.94 -1.26 -2.61 119.30 127.35 1ik0 s MET 33 Ca 0.58 -1.01 0.06 0.00 -1.71 0.00 0.00 55.69 53.61 1ik0 s MET 33 Cb -0.46 -2.39 -0.05 0.00 2.01 0.00 0.00 34.83 33.94 1ik0 s MET 33 CO 0.54 0.49 -0.08 0.14 -0.01 0.00 0.00 175.02 176.10 1ik0 s VAL 34 N -1.46 1.57 0.25 -6.03 -7.23 0.65 -4.82 120.40 103.32 1ik0 s VAL 34 Ca 0.25 -2.14 -0.30 0.00 -1.81 0.00 0.00 61.98 57.99 1ik0 s VAL 34 Cb -0.10 -2.25 -0.09 0.00 0.56 0.00 0.00 36.38 34.49 1ik0 s VAL 34 CO 0.17 -0.44 1.17 0.26 -0.31 0.00 0.00 175.10 175.96 1ik0 s TRP 35 N -3.07 3.43 0.52 2.82 0.52 -1.26 0.55 118.94 122.46 1ik0 s TRP 35 Ca 0.26 1.54 -0.20 0.00 0.02 0.00 0.00 56.10 57.72 1ik0 s TRP 35 Cb 0.02 -3.41 -0.07 0.00 -1.15 0.00 0.00 33.47 28.87 1ik0 s TRP 35 CO 0.09 -1.03 1.10 -1.54 0.02 0.00 0.00 176.95 175.59 1ik0 s SER 36 N -0.39 5.93 0.15 2.95 1.04 -1.18 -4.84 113.70 117.36 1ik0 s SER 36 Ca 0.49 2.10 0.03 0.00 0.48 0.00 0.00 55.95 59.05 1ik0 s SER 36 Cb -0.33 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.17 1ik0 s SER 36 CO 0.41 -1.07 -0.07 0.27 0.98 0.00 0.00 173.24 173.76 1ik0 s ILE 37 N -1.84 0.97 -0.11 -1.02 -4.36 -1.26 -4.93 121.20 108.65 1ik0 s ILE 37 Ca 0.71 -2.02 -0.23 0.00 -0.26 0.00 0.00 60.65 58.85 1ik0 s ILE 37 Cb -0.21 -1.90 -0.03 0.00 1.25 0.00 0.00 42.46 41.56 1ik0 s ILE 37 CO 0.25 -0.69 0.71 0.20 0.24 0.00 0.00 174.94 175.64 1ik0 s ASN 38 N -3.15 6.92 -0.20 4.36 0.01 -1.26 -5.01 114.94 116.60 1ik0 s ASN 38 Ca 0.18 1.11 -0.27 0.00 -0.71 0.00 0.00 52.86 53.17 1ik0 s ASN 38 Cb 0.04 -2.41 -0.00 0.00 0.41 0.00 0.00 41.25 39.29 1ik0 s ASN 38 CO 0.01 -0.20 0.95 -0.76 -1.51 0.00 0.00 177.10 175.59 1ik0 s LEU 39 N 1.26 4.14 0.00 0.60 2.01 -1.26 -4.86 118.68 120.56 1ik0 s LEU 39 Ca 0.36 1.29 0.00 0.00 0.01 0.00 0.00 54.13 55.79 1ik0 s LEU 39 Cb -0.17 -3.41 0.00 0.00 0.01 0.00 0.00 46.19 42.62 1ik0 s LEU 39 CO 0.15 -0.55 0.00 0.35 1.01 0.00 0.00 176.35 177.32 1ik0 n THR 40 N 5.06 0.00 -0.10 5.49 -2.24 -1.26 -5.06 114.28 116.17 1ik0 n THR 40 Ca 0.09 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.71 1ik0 n THR 40 Cb 0.47 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.61 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 1.58 0.69 6.98 0.00 -1.26 -4.41 120.51 121.09 1ik0 n ALA 41 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.58 1ik0 n ALA 41 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 2.37 1.91 0.34 0.00 0.00 -1.26 -4.25 105.19 104.30 1ik0 n GLY 42 Ca -0.37 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 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 0.35 1.20 -0.72 1.61 0.00 -1.89 -0.58 114.93 114.90 1ik0 h MET 43 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 59.70 59.53 1ik0 h MET 43 Cb 0.91 -0.22 -0.04 0.00 0.00 0.00 0.00 31.60 32.26 1ik0 h MET 43 CO 0.00 0.91 0.45 1.88 0.00 0.00 0.00 176.91 180.15 1ik0 h TYR 44 N 1.19 0.93 0.26 -0.22 0.05 -1.92 1.48 116.97 118.74 1ik0 h TYR 44 Ca 0.29 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.07 1ik0 h TYR 44 Cb 0.10 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.53 1ik0 h TYR 44 CO 0.01 0.61 -0.12 0.00 -1.05 0.00 0.00 178.16 177.61 1ik0 h ALA 46 N -0.15 0.73 -0.80 0.00 0.00 -0.94 -2.66 119.26 115.43 1ik0 h ALA 46 Ca -0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1ik0 h ALA 46 Cb 0.49 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1ik0 h ALA 46 CO 0.06 0.32 0.40 0.00 0.00 0.00 0.00 179.25 180.02 1ik0 h ALA 47 N 1.09 1.04 0.02 0.00 0.00 0.21 -2.79 119.26 118.82 1ik0 h ALA 47 Ca 0.19 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ik0 h ALA 47 Cb 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1ik0 h ALA 47 CO -0.02 0.59 -0.01 1.25 0.00 0.00 0.00 179.25 181.06 1ik0 h LEU 48 N 1.13 -0.03 -1.74 0.00 5.85 -0.77 -2.32 115.31 117.44 1ik0 h LEU 48 Ca 0.28 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 1ik0 h LEU 48 Cb 0.10 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1ik0 h LEU 48 CO -0.04 -0.02 0.15 1.05 -0.34 0.00 0.00 178.44 179.24 1ik0 h GLU 49 N -0.03 0.32 -0.64 1.25 4.11 -1.38 -1.42 114.58 116.78 1ik0 h GLU 49 Ca -0.00 -0.02 -0.08 0.00 0.07 0.00 0.00 59.36 59.33 1ik0 h GLU 49 Cb 0.03 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1ik0 h GLU 49 CO 0.01 0.22 0.09 0.66 0.07 0.00 0.00 179.01 180.06 1ik0 h SER 50 N 0.33 1.03 0.37 3.06 4.64 -1.16 -2.66 113.55 119.16 1ik0 h SER 50 Ca 0.09 -0.25 -0.12 0.00 -0.47 0.00 0.00 61.79 61.04 1ik0 h SER 50 Cb -0.02 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 1ik0 h SER 50 CO -0.02 1.03 -0.52 -0.07 -0.87 0.00 0.00 176.83 176.38 1ik0 h LEU 51 N 1.00 0.18 -2.13 5.97 3.38 -0.83 -2.59 115.31 120.28 1ik0 h LEU 51 Ca 0.20 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ik0 h LEU 51 Cb 0.45 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1ik0 h LEU 51 CO 0.01 0.67 0.19 0.40 0.09 0.00 0.00 178.44 179.80 1ik0 h ILE 52 N 0.13 0.00 0.00 1.22 1.08 -0.97 0.65 117.51 119.63 1ik0 h ILE 52 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1ik0 h ILE 52 Cb 0.96 0.71 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 1ik0 h ILE 52 CO 0.08 0.00 -0.25 0.78 -0.69 0.00 0.00 178.15 178.07 1ik0 h ASN 53 N 0.00 0.00 -3.40 1.72 -0.26 -1.51 -3.44 115.58 108.69 1ik0 h ASN 53 Ca 0.00 -0.08 -0.59 0.00 -0.56 0.00 0.00 56.30 55.07 1ik0 h ASN 53 Cb 0.37 0.00 -0.09 0.00 -1.06 0.00 0.00 38.32 37.54 1ik0 h ASN 53 CO 0.00 0.04 0.02 -0.69 -1.06 0.00 0.00 177.43 175.74 1ik0 s VAL 54 N -3.13 5.08 0.06 2.81 1.01 0.23 -5.06 120.40 121.40 1ik0 s VAL 54 Ca 0.09 1.11 0.06 0.00 0.00 0.00 0.00 61.98 63.23 1ik0 s VAL 54 Cb 0.12 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1ik0 s VAL 54 CO 0.65 0.19 -0.16 -0.44 0.00 0.00 0.00 175.10 175.34 1ik0 s SER 55 N 1.01 1.87 0.00 3.32 0.01 -1.26 -4.79 113.70 113.86 1ik0 s SER 55 Ca 0.28 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.99 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 0.11 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1ik0 n GLY 56 N 1.56 1.01 2.50 3.44 0.00 -1.26 -5.02 105.19 107.42 1ik0 n GLY 56 Ca -0.19 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 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 7.43 1.02 -0.84 0.00 0.87 -1.96 -3.06 113.55 117.01 1ik0 h SER 58 Ca -0.02 -0.45 0.24 0.00 -1.23 0.00 0.00 61.79 60.34 1ik0 h SER 58 Cb 0.99 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.63 1ik0 h SER 58 CO 0.31 1.25 0.82 0.00 -0.53 0.00 0.00 176.83 178.68 1ik0 h ALA 59 N 0.80 2.68 -0.00 6.23 0.00 -1.94 0.27 119.26 127.30 1ik0 h ALA 59 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ik0 h ALA 59 Cb 0.94 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ik0 h ALA 59 CO 0.09 -1.25 -0.87 0.44 0.00 0.00 0.00 179.25 177.66 1ik0 n ILE 60 N -3.67 0.00 -0.30 0.00 -5.35 -1.16 -4.40 119.36 104.49 1ik0 n ILE 60 Ca 0.18 -0.07 -0.04 0.00 -0.27 0.00 0.00 62.75 62.55 1ik0 n ILE 60 Cb 1.10 1.01 0.08 0.00 -1.74 0.00 0.00 39.64 40.08 1ik0 n ILE 60 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1ik0 h GLU 61 N 0.06 1.07 -0.80 6.28 5.08 -0.43 -1.02 114.58 124.82 1ik0 h GLU 61 Ca 0.00 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1ik0 h GLU 61 Cb 0.45 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1ik0 h GLU 61 CO 0.00 0.71 0.40 0.87 -1.00 0.00 0.00 179.01 179.99 1ik0 h LYS 62 N 1.10 1.13 -0.99 2.33 1.57 -1.77 -2.01 116.57 117.94 1ik0 h LYS 62 Ca 0.30 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1ik0 h LYS 62 Cb -0.13 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 31.93 1ik0 h LYS 62 CO -0.06 0.86 0.65 1.15 -0.57 0.00 0.00 179.45 181.48 1ik0 h THR 63 N 1.12 1.25 -0.04 -0.16 2.02 -1.53 -1.13 112.91 114.44 1ik0 h THR 63 Ca 0.28 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 67.00 1ik0 h THR 63 Cb 0.09 -0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.29 1ik0 h THR 63 CO -0.04 0.25 -0.01 1.56 0.37 0.00 0.00 175.52 177.65 1ik0 h GLN 64 N 1.34 -0.00 -0.89 6.66 4.20 -0.49 0.45 115.11 126.37 1ik0 h GLN 64 Ca 0.36 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.05 1ik0 h GLN 64 Cb -0.15 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.59 1ik0 h GLN 64 CO -0.08 -0.00 0.49 -0.09 -0.67 0.00 0.00 178.83 178.47 1ik0 h ARG 65 N -0.00 1.24 -0.80 1.46 2.43 -1.18 -0.22 114.38 117.31 1ik0 h ARG 65 Ca 0.02 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.00 1ik0 h ARG 65 Cb 0.03 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 29.30 1ik0 h ARG 65 CO -0.04 0.91 0.32 0.52 -1.51 0.00 0.00 179.97 180.17 1ik0 h MET 66 N 1.24 1.20 -0.52 0.20 2.86 -0.54 -1.76 114.93 117.63 1ik0 h MET 66 Ca 0.31 -0.22 -0.08 0.00 -2.06 0.00 0.00 59.70 57.65 1ik0 h MET 66 Cb 0.03 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 1ik0 h MET 66 CO -0.05 0.97 -0.01 -0.07 1.06 0.00 0.00 176.91 178.81 1ik0 h LEU 67 N 1.17 0.85 -1.19 1.22 3.38 0.75 -2.26 115.31 119.22 1ik0 h LEU 67 Ca 0.27 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1ik0 h LEU 67 Cb 0.21 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1ik0 h LEU 67 CO -0.02 0.91 0.55 0.28 0.09 0.00 0.00 178.44 180.25 1ik0 h SER 68 N 0.81 0.95 -1.06 -0.43 0.02 -0.38 -0.40 113.55 113.06 1ik0 h SER 68 Ca 0.15 -0.03 0.30 0.00 -0.84 0.00 0.00 61.79 61.38 1ik0 h SER 68 Cb 0.50 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.75 1ik0 h SER 68 CO 0.02 0.69 0.75 1.23 -1.14 0.00 0.00 176.83 178.38 1ik0 h GLY 69 N 1.12 0.24 0.61 -3.77 0.00 -0.71 1.56 103.07 102.11 1ik0 h GLY 69 Ca 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1ik0 h GLY 69 CO -0.07 -0.02 -0.83 0.69 0.00 0.00 0.00 176.54 176.31 1ik0 n PHE 70 N -4.29 0.11 -3.46 5.60 3.01 -0.22 -4.72 117.46 113.48 1ik0 n PHE 70 Ca 0.23 0.03 -0.25 0.00 1.01 0.00 0.00 57.45 58.47 1ik0 n PHE 70 Cb 1.08 -0.27 -0.12 0.00 -0.01 0.00 0.00 39.48 40.15 1ik0 n PHE 70 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ik0 n PRO 72 N 4.76 0.01 -3.01 0.00 -0.02 -1.12 -4.43 135.00 131.19 1ik0 n PRO 72 Ca 0.03 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.07 1ik0 n PRO 72 Cb 0.42 -1.49 -0.05 0.00 -0.02 0.00 0.00 33.50 32.36 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 1.50 2.89 -0.80 6.00 2.46 -1.26 -4.99 115.29 121.09 1ik0 s HIS 73 Ca 0.00 -0.56 -0.26 0.00 0.47 0.00 0.00 55.06 54.72 1ik0 s HIS 73 Cb 0.00 -3.96 0.04 0.00 -0.13 0.00 0.00 32.58 28.53 1ik0 s HIS 73 CO 0.00 -1.32 1.29 0.15 -2.47 0.00 0.00 174.74 172.39 1ik0 s LYS 74 N 3.26 3.29 -0.20 2.88 1.02 -1.26 -4.97 119.74 123.76 1ik0 s LYS 74 Ca 0.19 -0.53 -0.10 0.00 0.02 0.00 0.00 55.97 55.55 1ik0 s LYS 74 Cb -0.19 -4.48 -0.05 0.00 -0.52 0.00 0.00 37.83 32.59 1ik0 s LYS 74 CO 0.11 -2.13 0.13 0.08 -0.92 0.00 0.00 175.35 172.62 1ik0 s VAL 75 N 5.36 5.41 0.34 3.17 1.01 -1.26 -5.04 120.40 129.39 1ik0 s VAL 75 Ca 0.37 0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.61 1ik0 s VAL 75 Cb -0.07 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1ik0 s VAL 75 CO 0.08 0.44 0.46 -0.94 0.00 0.00 0.00 175.10 175.14 1ik0 s SER 76 N 0.34 5.86 0.00 3.32 1.04 -1.26 -4.94 113.70 118.05 1ik0 s SER 76 Ca 0.08 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1ik0 s SER 76 Cb -0.11 -1.15 0.02 0.00 0.10 0.00 0.00 66.02 64.88 1ik0 s SER 76 CO -0.02 -0.45 0.94 0.00 0.98 0.00 0.00 173.24 174.69 1ik0 n ALA 77 N -1.63 1.09 -0.09 5.32 0.00 -1.26 -1.81 120.51 122.14 1ik0 n ALA 77 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1ik0 n ALA 77 Cb 0.58 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.38 -0.59 3.69 0.00 0.00 -1.26 -4.93 105.19 100.70 1ik0 n GLY 78 Ca 0.00 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.39 4.29 0.10 1.61 -1.52 -0.75 -5.06 119.66 115.94 1ik0 s GLN 79 Ca -0.15 0.65 0.06 0.00 -1.95 0.00 0.00 55.36 53.96 1ik0 s GLN 79 Cb 0.06 -3.52 -0.03 0.00 -0.22 0.00 0.00 33.01 29.29 1ik0 s GLN 79 CO 0.58 -0.09 -0.14 -0.06 -0.25 0.00 0.00 175.29 175.33 1ik0 s PHE 80 N 1.40 1.32 0.04 0.91 0.08 -1.26 -4.03 117.98 116.43 1ik0 s PHE 80 Ca 0.30 -0.52 -0.00 0.00 0.12 0.00 0.00 56.93 56.84 1ik0 s PHE 80 Cb -0.16 -0.72 -0.00 0.00 -0.57 0.00 0.00 43.02 41.57 1ik0 s PHE 80 CO 0.12 0.10 -0.00 0.43 -0.10 0.00 0.00 175.22 175.77 1ik0 n SER 81 N 0.86 0.42 -0.95 1.36 7.64 -1.26 -4.84 113.62 116.85 1ik0 n SER 81 Ca -0.18 0.05 0.12 0.00 1.01 0.00 0.00 58.87 59.87 1ik0 n SER 81 Cb 0.56 -0.13 0.13 0.00 -1.01 0.00 0.00 64.21 63.76 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 -3.19 2.96 -0.97 6.43 2.88 -1.26 -4.31 113.62 116.16 1ik0 n SER 82 Ca -0.00 -1.98 -0.01 0.00 -1.33 0.00 0.00 58.87 55.56 1ik0 n SER 82 Cb 0.31 -0.02 0.08 0.00 -0.75 0.00 0.00 64.21 63.84 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 1.30 2.66 0.15 2.46 4.32 -1.26 -3.77 117.00 122.86 1ik0 n LEU 83 Ca 0.15 -1.35 0.03 0.00 -0.02 0.00 0.00 56.01 54.81 1ik0 n LEU 83 Cb 0.59 -0.56 0.14 0.00 -1.62 0.00 0.00 43.42 41.97 1ik0 n LEU 83 CO 0.15 0.43 0.53 0.45 -1.22 0.00 0.00 177.39 177.72 1ik0 h HIS 84 N 0.74 0.00 -4.02 -1.77 3.86 -1.94 -3.44 115.15 108.57 1ik0 h HIS 84 Ca 0.05 0.00 -0.46 0.00 -1.16 0.00 0.00 60.37 58.79 1ik0 h HIS 84 Cb 1.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.50 1ik0 h HIS 84 CO 0.30 0.50 0.37 0.14 0.86 0.00 0.00 177.93 180.10 1ik0 s VAL 85 N -3.20 4.02 -0.82 2.45 -7.23 -1.25 -4.94 120.40 109.43 1ik0 s VAL 85 Ca 0.02 1.37 -0.04 0.00 -1.81 0.00 0.00 61.98 61.52 1ik0 s VAL 85 Cb 0.09 -3.62 0.10 0.00 0.56 0.00 0.00 36.38 33.51 1ik0 s VAL 85 CO 0.73 -0.16 2.57 0.54 -0.31 0.00 0.00 175.10 178.47 1ik0 n ARG 86 N -0.46 3.38 -1.96 4.82 1.74 -1.26 -4.96 116.66 117.96 1ik0 n ARG 86 Ca 0.07 -2.90 -0.28 0.00 -0.77 0.00 0.00 57.85 53.96 1ik0 n ARG 86 Cb 0.52 -2.35 0.09 0.00 -1.02 0.00 0.00 32.46 29.70 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 0.26 4.52 0.53 0.55 1.01 -1.26 -5.06 116.67 117.21 1ik0 s ASP 87 Ca 0.56 0.70 -0.02 0.00 0.71 0.00 0.00 52.55 54.51 1ik0 s ASP 87 Cb 0.30 -1.21 0.01 0.00 1.01 0.00 0.00 42.92 43.03 1ik0 s ASP 87 CO -0.18 -1.87 0.78 0.42 0.21 0.00 0.00 175.17 174.53 1ik0 s THR 88 N -3.53 3.57 0.33 -1.27 -4.23 -1.26 -4.85 115.64 104.40 1ik0 s THR 88 Ca 0.62 -0.36 -0.14 0.00 -1.18 0.00 0.00 61.69 60.64 1ik0 s THR 88 Cb -0.11 -3.36 -0.08 0.00 1.34 0.00 0.00 72.50 70.29 1ik0 s THR 88 CO 0.48 -0.30 0.72 -0.54 -0.54 0.00 0.00 174.62 174.45 1ik0 s LYS 89 N -4.77 3.94 0.21 3.99 1.02 -1.26 -3.07 119.74 119.81 1ik0 s LYS 89 Ca 0.52 0.59 0.07 0.00 0.02 0.00 0.00 55.97 57.17 1ik0 s LYS 89 Cb -0.10 -2.44 -0.05 0.00 -0.52 0.00 0.00 37.83 34.71 1ik0 s LYS 89 CO 0.41 0.14 -0.11 0.96 -0.92 0.00 0.00 175.35 175.83 1ik0 s ILE 90 N -2.03 1.58 0.32 2.17 -4.36 0.19 -4.83 121.20 114.24 1ik0 s ILE 90 Ca 0.53 -2.16 -0.29 0.00 -0.26 0.00 0.00 60.65 58.47 1ik0 s ILE 90 Cb -0.10 -2.12 -0.10 0.00 1.25 0.00 0.00 42.46 41.39 1ik0 s ILE 90 CO 0.20 -0.54 1.38 -1.61 0.24 0.00 0.00 174.94 174.61 1ik0 s GLU 91 N -3.69 4.27 0.25 0.37 2.02 -1.26 -0.25 118.70 120.41 1ik0 s GLU 91 Ca 0.23 2.32 -0.06 0.00 0.02 0.00 0.00 54.97 57.49 1ik0 s GLU 91 Cb 0.01 -3.06 0.27 0.00 0.10 0.00 0.00 34.13 31.46 1ik0 s GLU 91 CO 0.07 -0.33 1.92 0.28 0.02 0.00 0.00 175.26 177.23 1ik0 h VAL 92 N 3.14 1.24 -0.91 2.63 2.07 -1.84 -1.67 116.25 120.91 1ik0 h VAL 92 Ca -0.49 -0.46 0.15 0.00 0.82 0.00 0.00 66.70 66.73 1ik0 h VAL 92 Cb 1.23 -0.22 -0.10 0.00 -1.52 0.00 0.00 31.29 30.68 1ik0 h VAL 92 CO 0.68 0.24 0.51 0.00 0.02 0.00 0.00 177.57 179.03 1ik0 h ALA 93 N 1.38 1.42 0.00 1.67 0.00 -1.91 0.14 119.26 121.96 1ik0 h ALA 93 Ca 0.37 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 55.19 1ik0 h ALA 93 Cb -0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1ik0 h ALA 93 CO -0.09 -0.03 -0.79 0.37 0.00 0.00 0.00 179.25 178.71 1ik0 h GLN 94 N 0.72 0.00 -0.02 0.00 4.15 -1.74 -2.91 115.11 115.31 1ik0 h GLN 94 Ca 0.50 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.92 1ik0 h GLN 94 Cb 0.69 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.38 1ik0 h GLN 94 CO -0.35 0.79 -0.01 0.35 -1.93 0.00 0.00 178.83 177.68 1ik0 h PHE 95 N 0.00 -0.03 -0.49 3.99 3.04 0.11 0.14 116.94 123.71 1ik0 h PHE 95 Ca -0.01 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1ik0 h PHE 95 Cb 1.45 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 39.95 1ik0 h PHE 95 CO 0.00 -0.02 0.27 0.28 -2.02 0.00 0.00 178.31 176.82 1ik0 h VAL 96 N -0.01 1.17 0.02 1.41 2.07 -1.25 -1.31 116.25 118.34 1ik0 h VAL 96 Ca 0.01 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1ik0 h VAL 96 Cb 0.03 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1ik0 h VAL 96 CO -0.03 0.18 -0.01 0.11 0.02 0.00 0.00 177.57 177.84 1ik0 h LYS 97 N 0.65 -0.02 -0.90 1.57 1.57 -1.23 -0.09 116.57 118.12 1ik0 h LYS 97 Ca 0.17 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1ik0 h LYS 97 Cb 0.05 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1ik0 h LYS 97 CO -0.03 -0.01 0.58 -0.44 -0.57 0.00 0.00 179.45 178.99 1ik0 h ASP 98 N -0.03 1.04 -0.65 0.86 3.32 -0.56 -1.26 116.42 119.13 1ik0 h ASP 98 Ca -0.00 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1ik0 h ASP 98 Cb 0.02 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 1ik0 h ASP 98 CO 0.00 0.76 0.28 0.25 -1.72 0.00 0.00 179.24 178.82 1ik0 h LEU 99 N 1.22 0.90 -0.78 1.55 5.85 -0.76 -2.76 115.31 120.53 1ik0 h LEU 99 Ca 0.33 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.99 1ik0 h LEU 99 Cb -0.12 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.62 1ik0 h LEU 99 CO -0.07 0.80 0.47 0.25 -0.34 0.00 0.00 178.44 179.55 1ik0 h LEU 100 N 0.98 0.74 -0.31 2.25 5.85 0.20 -0.73 115.31 124.28 1ik0 h LEU 100 Ca 0.23 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 1ik0 h LEU 100 Cb 0.17 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1ik0 h LEU 100 CO -0.02 0.48 0.17 -0.07 -0.34 0.00 0.00 178.44 178.66 1ik0 h LEU 101 N 0.87 0.39 -0.48 2.25 -0.00 -1.31 -2.89 115.31 114.14 1ik0 h LEU 101 Ca 0.34 -0.09 -0.14 0.00 -0.00 0.00 0.00 57.88 58.00 1ik0 h LEU 101 Cb 0.16 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.71 1ik0 h LEU 101 CO -0.17 0.36 -0.25 0.45 -0.00 0.00 0.00 178.44 178.83 1ik0 h HIS 102 N 0.39 1.13 0.35 1.13 3.86 -1.47 -2.70 115.15 117.84 1ik0 h HIS 102 Ca 0.11 -0.29 -0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1ik0 h HIS 102 Cb 0.06 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.24 1ik0 h HIS 102 CO -0.03 1.11 -0.40 -0.07 0.86 0.00 0.00 177.93 179.40 1ik0 h LEU 103 N 0.83 -1.10 -2.00 2.43 3.38 -0.97 -1.23 115.31 116.66 1ik0 h LEU 103 Ca 0.10 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1ik0 h LEU 103 Cb 0.83 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1ik0 h LEU 103 CO 0.07 -0.54 0.00 0.07 0.09 0.00 0.00 178.44 178.14 1ik0 h LYS 104 N -0.79 0.00 -0.32 1.13 2.10 -1.57 -2.90 116.57 114.22 1ik0 h LYS 104 Ca -0.02 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.59 1ik0 h LYS 104 Cb 0.72 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.03 1ik0 h LYS 104 CO -0.09 0.00 0.06 -0.22 -2.00 0.00 0.00 179.45 177.20 1ik0 h LYS 105 N 0.00 0.52 0.00 0.07 3.64 -0.88 -2.58 116.57 117.35 1ik0 h LYS 105 Ca 0.00 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 1ik0 h LYS 105 Cb 0.28 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1ik0 h LYS 105 CO 0.00 0.61 -0.12 -0.07 -2.27 0.00 0.00 179.45 177.60 1ik0 h LEU 106 N 0.36 0.00 -1.18 5.20 -0.00 -1.28 -2.05 115.31 116.35 1ik0 h LEU 106 Ca 0.10 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 58.00 1ik0 h LEU 106 Cb 0.34 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.95 1ik0 h LEU 106 CO 0.01 0.12 0.56 0.15 -0.00 0.00 0.00 178.44 179.28 1ik0 h PHE 107 N 0.00 1.04 -0.65 1.13 3.57 -1.51 -0.67 116.94 119.85 1ik0 h PHE 107 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1ik0 h PHE 107 Cb 0.23 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 1ik0 h PHE 107 CO 0.00 0.64 0.42 0.00 -2.23 0.00 0.00 178.31 177.14 1ik0 h ARG 108 N 1.11 0.87 0.00 1.11 3.08 -1.34 -1.28 114.38 117.92 1ik0 h ARG 108 Ca 0.32 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1ik0 h ARG 108 Cb -0.06 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.79 1ik0 h ARG 108 CO -0.08 0.58 -0.39 0.39 -1.07 0.00 0.00 179.97 179.40 1ik0 n GLU 109 N -4.43 0.27 -0.71 0.04 1.02 -0.61 -4.90 120.64 111.32 1ik0 n GLU 109 Ca 0.07 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1ik0 n GLU 109 Cb 0.05 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 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 1.33 0.37 3.41 0.62 0.00 -0.36 -4.91 105.19 105.66 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 -0.66 3.18 0.06 1.61 0.52 -1.24 -5.02 118.95 117.40 1ik0 s ARG 111 Ca 0.00 -1.31 -0.17 0.00 -0.52 0.00 0.00 55.73 53.73 1ik0 s ARG 111 Cb 0.00 -4.37 -0.06 0.00 0.52 0.00 0.00 34.95 31.04 1ik0 s ARG 111 CO 0.00 -1.65 0.51 -0.06 0.02 0.00 0.00 175.30 174.12 1ik0 s PHE 112 N 2.95 3.74 0.00 -0.53 0.08 -1.26 -4.88 117.98 118.08 1ik0 s PHE 112 Ca 0.18 1.13 0.00 0.00 0.12 0.00 0.00 56.93 58.36 1ik0 s PHE 112 Cb -0.18 -2.40 0.00 0.00 -0.57 0.00 0.00 43.02 39.87 1ik0 s PHE 112 CO 0.04 0.58 0.00 0.09 -0.10 0.00 0.00 175.22 175.83