#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 1.58 1.00 3.03 0.00 -1.26 -4.98 107.32 106.69 1ik0 s GLY 2 Ca 0.00 -0.77 -0.17 0.00 0.00 0.00 0.00 44.72 43.78 1ik0 s GLY 2 CO 0.00 0.02 -0.25 -1.05 0.00 0.00 0.00 173.10 171.82 1ik0 n PRO 3 N -4.49 -1.34 -2.82 2.90 -0.02 -1.26 -4.92 135.00 123.05 1ik0 n PRO 3 Ca 0.10 -0.39 -0.34 0.00 -2.02 0.00 0.00 63.50 60.85 1ik0 n PRO 3 Cb 0.59 -1.39 -0.07 0.00 -0.02 0.00 0.00 33.50 32.61 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 4.35 1.09 -1.45 -7.23 -1.26 -5.03 120.40 108.77 1ik0 s VAL 4 Ca 0.39 1.57 -0.14 0.00 -1.81 0.00 0.00 61.98 61.99 1ik0 s VAL 4 Cb -0.03 -3.72 0.18 0.00 0.56 0.00 0.00 36.38 33.36 1ik0 s VAL 4 CO 0.48 -0.18 0.64 -0.81 -0.31 0.00 0.00 175.10 174.92 1ik0 n PRO 5 N -0.29 -1.59 -0.17 4.82 -0.04 -1.26 -4.67 135.00 131.81 1ik0 n PRO 5 Ca 0.05 -0.43 -0.09 0.00 -0.04 0.00 0.00 63.50 62.99 1ik0 n PRO 5 Cb 0.53 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1ik0 n PRO 5 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1ik0 h PRO 6 N -2.22 0.79 -0.96 0.54 0.13 -1.99 -1.14 132.00 127.14 1ik0 h PRO 6 Ca -0.54 -0.20 -0.00 0.00 -0.87 0.00 0.00 66.00 64.39 1ik0 h PRO 6 Cb 1.32 -0.10 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 1ik0 h PRO 6 CO 0.42 0.78 0.59 0.66 -0.23 0.00 0.00 178.00 180.22 1ik0 h SER 7 N 0.67 1.14 -0.38 1.44 4.64 -1.96 -1.72 113.55 117.38 1ik0 h SER 7 Ca 0.15 -0.06 -0.16 0.00 -0.47 0.00 0.00 61.79 61.24 1ik0 h SER 7 Cb 0.36 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1ik0 h SER 7 CO 0.01 0.87 -0.41 0.74 -0.87 0.00 0.00 176.83 177.17 1ik0 h THR 8 N 1.32 1.27 -0.66 2.95 2.02 -1.86 -2.62 112.91 115.33 1ik0 h THR 8 Ca 0.35 -1.58 0.01 0.00 0.77 0.00 0.00 66.41 65.96 1ik0 h THR 8 Cb -0.07 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 1ik0 h THR 8 CO -0.07 0.53 0.43 0.00 0.37 0.00 0.00 175.52 176.79 1ik0 h ALA 9 N 0.76 0.84 -0.09 6.16 0.00 -0.69 0.77 119.26 127.02 1ik0 h ALA 9 Ca 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ik0 h ALA 9 Cb 1.01 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ik0 h ALA 9 CO 0.10 0.24 0.05 1.25 0.00 0.00 0.00 179.25 180.89 1ik0 h LEU 10 N 0.88 0.12 -0.68 0.00 5.85 -1.26 0.23 115.31 120.44 1ik0 h LEU 10 Ca 0.25 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1ik0 h LEU 10 Cb -0.08 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1ik0 h LEU 10 CO -0.06 0.17 0.45 0.03 -0.34 0.00 0.00 178.44 178.69 1ik0 h ARG 11 N 0.05 0.89 -0.93 1.25 2.47 -1.05 0.47 114.38 117.53 1ik0 h ARG 11 Ca 0.03 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1ik0 h ARG 11 Cb 0.08 -0.20 -0.05 0.00 -1.65 0.00 0.00 29.97 28.16 1ik0 h ARG 11 CO -0.00 0.59 0.59 0.93 0.56 0.00 0.00 179.97 182.64 1ik0 h GLU 12 N 0.92 1.24 -0.27 0.04 4.39 -0.56 0.83 114.58 121.17 1ik0 h GLU 12 Ca 0.25 -0.09 -0.12 0.00 0.34 0.00 0.00 59.36 59.75 1ik0 h GLU 12 Cb -0.10 -0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 28.27 1ik0 h GLU 12 CO -0.06 0.84 -0.29 1.25 -1.16 0.00 0.00 179.01 179.59 1ik0 h LEU 13 N 1.27 0.72 -0.05 1.33 5.85 0.39 -2.43 115.31 122.39 1ik0 h LEU 13 Ca 0.34 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1ik0 h LEU 13 Cb -0.11 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.71 1ik0 h LEU 13 CO -0.07 1.06 0.02 0.40 -0.34 0.00 0.00 178.44 179.50 1ik0 h ILE 14 N 0.40 1.16 -0.95 4.05 2.04 0.47 -1.34 117.51 123.35 1ik0 h ILE 14 Ca 0.04 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.42 1ik0 h ILE 14 Cb 0.86 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 38.30 1ik0 h ILE 14 CO 0.07 0.13 0.63 -0.33 0.00 0.00 0.00 178.15 178.66 1ik0 h GLU 15 N -0.11 1.25 -0.24 2.37 5.08 -0.89 -0.56 114.58 121.49 1ik0 h GLU 15 Ca 0.02 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.18 1ik0 h GLU 15 Cb 0.20 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1ik0 h GLU 15 CO -0.00 0.82 -0.34 1.49 -1.00 0.00 0.00 179.01 179.98 1ik0 h GLU 16 N 1.28 0.65 -0.56 2.33 4.81 -1.34 -1.83 114.58 119.92 1ik0 h GLU 16 Ca 0.35 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1ik0 h GLU 16 Cb -0.15 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1ik0 h GLU 16 CO -0.08 1.00 0.30 -0.07 -0.73 0.00 0.00 179.01 179.43 1ik0 h LEU 17 N 0.36 0.71 -0.54 1.64 3.38 -0.95 -2.62 115.31 117.29 1ik0 h LEU 17 Ca 0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1ik0 h LEU 17 Cb 0.93 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1ik0 h LEU 17 CO 0.08 0.60 0.20 0.58 0.09 0.00 0.00 178.44 180.00 1ik0 h VAL 18 N 0.76 1.22 -0.95 1.22 2.07 -1.07 -2.44 116.25 117.07 1ik0 h VAL 18 Ca 0.20 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1ik0 h VAL 18 Cb 0.06 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1ik0 h VAL 18 CO -0.03 0.27 0.63 -1.13 0.02 0.00 0.00 177.57 177.32 1ik0 h ASN 19 N 0.74 1.08 1.70 0.57 -1.24 -1.06 -0.69 115.58 116.69 1ik0 h ASN 19 Ca 0.18 -0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.13 1ik0 h ASN 19 Cb 0.22 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 39.00 1ik0 h ASN 19 CO -0.01 0.78 -0.15 0.16 -1.29 0.00 0.00 177.43 176.91 1ik0 h ILE 20 N 1.27 0.28 0.00 2.57 3.07 -1.32 -3.31 117.51 120.07 1ik0 h ILE 20 Ca 0.35 -1.30 0.00 0.00 1.55 0.00 0.00 64.86 65.46 1ik0 h ILE 20 Cb -0.14 2.06 0.00 0.00 -0.27 0.00 0.00 36.82 38.47 1ik0 h ILE 20 CO -0.08 0.15 -1.70 0.35 -1.05 0.00 0.00 178.15 175.82 1ik0 n THR 21 N -3.15 0.15 0.08 0.16 -2.24 -0.93 -3.66 114.28 104.68 1ik0 n THR 21 Ca 0.03 -0.49 -0.09 0.00 -2.27 0.00 0.00 64.05 61.24 1ik0 n THR 21 Cb 0.56 -0.04 0.02 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.25 -0.47 -0.78 4.20 -1.22 -3.22 115.11 113.87 1ik0 h GLN 22 Ca 0.00 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.47 1ik0 h GLN 22 Cb 0.97 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.82 1ik0 h GLN 22 CO 0.00 0.93 0.00 0.27 -0.67 0.00 0.00 178.83 179.36 1ik0 n ASN 23 N -3.73 3.57 -4.70 1.46 6.94 -1.25 -4.93 115.26 112.62 1ik0 n ASN 23 Ca -0.04 -2.00 -0.41 0.00 -0.02 0.00 0.00 54.58 52.12 1ik0 n ASN 23 Cb 0.76 -0.30 -0.04 0.00 -2.36 0.00 0.00 39.78 37.84 1ik0 n ASN 23 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ik0 s GLN 24 N -1.39 4.41 0.00 -3.83 -2.07 -1.22 -4.98 119.66 110.58 1ik0 s GLN 24 Ca 0.41 1.06 0.00 0.00 -1.82 0.00 0.00 55.36 55.01 1ik0 s GLN 24 Cb 0.24 -3.50 0.00 0.00 -1.09 0.00 0.00 33.01 28.66 1ik0 s GLN 24 CO 0.32 -0.11 0.00 1.17 -1.32 0.00 0.00 175.29 175.35 1ik0 n LYS 25 N 4.35 0.00 -2.49 9.60 4.81 -1.26 -4.92 118.16 128.25 1ik0 n LYS 25 Ca 0.03 0.07 -0.32 0.00 -0.87 0.00 0.00 58.31 57.22 1ik0 n LYS 25 Cb 0.50 -0.45 -0.04 0.00 0.02 0.00 0.00 35.03 35.07 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 -4.03 3.06 0.53 3.14 0.00 -1.26 -4.97 121.76 118.23 1ik0 s ALA 26 Ca 0.00 0.23 -0.18 0.00 0.00 0.00 0.00 51.96 52.01 1ik0 s ALA 26 Cb 0.00 -3.12 -0.13 0.00 0.00 0.00 0.00 23.12 19.86 1ik0 s ALA 26 CO 0.00 -0.15 0.03 -2.30 0.00 0.00 0.00 175.76 173.34 1ik0 n PRO 27 N -1.37 0.13 -0.04 0.00 -0.02 -1.26 -4.85 135.00 127.58 1ik0 n PRO 27 Ca 0.07 0.05 -0.11 0.00 -2.02 0.00 0.00 63.50 61.49 1ik0 n PRO 27 Cb 0.54 -1.18 -0.05 0.00 -0.02 0.00 0.00 33.50 32.79 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 0.03 0.22-10.54 2.45 3.38 -1.97 -3.44 115.31 105.44 1ik0 h LEU 28 Ca -0.42 -0.11 -0.47 0.00 0.09 0.00 0.00 57.88 56.97 1ik0 h LEU 28 Cb 1.43 -0.06 0.08 0.00 0.09 0.00 0.00 40.66 42.20 1ik0 h LEU 28 CO 0.43 0.27 0.26 0.00 0.09 0.00 0.00 178.44 179.49 1ik0 n ASN 30 N -2.91 1.98 0.00 0.00 5.03 -1.26 -4.21 115.26 113.88 1ik0 n ASN 30 Ca 0.07 -1.46 0.00 0.00 0.87 0.00 0.00 54.58 54.06 1ik0 n ASN 30 Cb 0.60 -0.41 0.00 0.00 -1.02 0.00 0.00 39.78 38.94 1ik0 n ASN 30 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ik0 n GLY 31 N 1.69 0.65 3.77 7.41 0.00 -1.26 -5.02 105.19 112.43 1ik0 n GLY 31 Ca 0.00 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.57 6.07 0.19 1.61 0.01 -1.26 -4.87 113.70 112.89 1ik0 s SER 32 Ca 0.00 3.00 0.07 0.00 1.31 0.00 0.00 55.95 60.33 1ik0 s SER 32 Cb 0.00 -2.66 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 1ik0 s SER 32 CO 0.00 -1.05 0.03 -0.04 0.41 0.00 0.00 173.24 172.59 1ik0 s MET 33 N -2.29 2.49 0.16 12.44 -1.94 -1.26 -2.48 119.30 126.42 1ik0 s MET 33 Ca 0.57 -1.12 0.05 0.00 -1.71 0.00 0.00 55.69 53.48 1ik0 s MET 33 Cb -0.45 -2.38 -0.04 0.00 2.01 0.00 0.00 34.83 33.96 1ik0 s MET 33 CO 0.60 0.44 -0.11 0.14 -0.01 0.00 0.00 175.02 176.08 1ik0 s VAL 34 N -1.86 1.29 0.03 -6.03 -7.23 0.94 -4.86 120.40 102.68 1ik0 s VAL 34 Ca 0.29 -2.09 -0.30 0.00 -1.81 0.00 0.00 61.98 58.06 1ik0 s VAL 34 Cb -0.09 -1.90 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 1ik0 s VAL 34 CO 0.20 -0.71 1.25 0.26 -0.31 0.00 0.00 175.10 175.79 1ik0 s TRP 35 N -3.25 3.26 0.58 2.82 0.52 -1.26 -0.60 118.94 121.00 1ik0 s TRP 35 Ca 0.18 1.16 -0.18 0.00 0.02 0.00 0.00 56.10 57.28 1ik0 s TRP 35 Cb 0.02 -3.49 -0.04 0.00 -1.15 0.00 0.00 33.47 28.81 1ik0 s TRP 35 CO 0.02 -1.60 1.12 -1.54 0.02 0.00 0.00 176.95 174.96 1ik0 s SER 36 N 1.30 5.59 0.21 2.95 1.04 -1.13 -4.90 113.70 118.75 1ik0 s SER 36 Ca 0.60 2.10 -0.01 0.00 0.48 0.00 0.00 55.95 59.11 1ik0 s SER 36 Cb -0.29 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.21 1ik0 s SER 36 CO 0.27 -1.31 0.12 0.27 0.98 0.00 0.00 173.24 173.57 1ik0 s ILE 37 N -1.98 0.10 -0.20 -1.02 -4.36 -1.26 -4.85 121.20 107.63 1ik0 s ILE 37 Ca 0.70 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.87 1ik0 s ILE 37 Cb -0.22 -2.50 -0.02 0.00 1.25 0.00 0.00 42.46 40.97 1ik0 s ILE 37 CO 0.31 -0.02 0.71 0.20 0.24 0.00 0.00 174.94 176.38 1ik0 s ASN 38 N -3.18 6.77 -0.26 4.36 0.01 -1.26 -5.01 114.94 116.37 1ik0 s ASN 38 Ca 0.38 0.94 -0.29 0.00 -0.71 0.00 0.00 52.86 53.19 1ik0 s ASN 38 Cb 0.07 -2.39 0.01 0.00 0.41 0.00 0.00 41.25 39.35 1ik0 s ASN 38 CO 0.12 -0.35 1.03 -0.76 -1.51 0.00 0.00 177.10 175.63 1ik0 s LEU 39 N 2.16 4.05 0.00 0.60 2.01 -1.26 -4.87 118.68 121.38 1ik0 s LEU 39 Ca 0.32 1.25 0.00 0.00 0.01 0.00 0.00 54.13 55.71 1ik0 s LEU 39 Cb -0.16 -3.51 0.00 0.00 0.01 0.00 0.00 46.19 42.53 1ik0 s LEU 39 CO 0.10 -0.72 0.00 0.35 1.01 0.00 0.00 176.35 177.10 1ik0 n THR 40 N 5.47 0.00 0.02 5.49 -2.24 -1.26 -5.07 114.28 116.69 1ik0 n THR 40 Ca 0.11 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.88 1ik0 n THR 40 Cb 0.46 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.69 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 2.51 0.21 6.98 0.00 -1.26 -4.63 120.51 121.32 1ik0 n ALA 41 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1ik0 n ALA 41 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 3.05 0.82 0.37 0.00 0.00 -1.26 -4.02 105.19 104.14 1ik0 n GLY 42 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 1.74 1.20 -0.04 1.61 0.00 -1.91 0.21 114.93 117.75 1ik0 h MET 43 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 59.70 59.62 1ik0 h MET 43 Cb 0.35 -0.27 -0.01 0.00 0.00 0.00 0.00 31.60 31.67 1ik0 h MET 43 CO 0.00 0.81 -0.00 1.88 0.00 0.00 0.00 176.91 179.60 1ik0 h TYR 44 N 1.24 -0.00 -0.05 -0.22 0.05 -1.92 0.98 116.97 117.04 1ik0 h TYR 44 Ca 0.33 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.09 1ik0 h TYR 44 Cb -0.11 0.01 -0.00 0.00 1.01 0.00 0.00 36.73 37.63 1ik0 h TYR 44 CO 0.00 -0.00 -0.04 0.00 -1.05 0.00 0.00 178.16 177.07 1ik0 h ALA 46 N 0.56 0.20 -0.72 0.00 0.00 -0.84 -2.04 119.26 116.42 1ik0 h ALA 46 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ik0 h ALA 46 Cb 0.53 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1ik0 h ALA 46 CO 0.01 -0.31 0.39 0.00 0.00 0.00 0.00 179.25 179.34 1ik0 h ALA 47 N 1.06 1.32 0.02 0.00 0.00 0.98 -2.80 119.26 119.84 1ik0 h ALA 47 Ca 0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 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 0.55 -0.01 1.25 0.00 0.00 0.00 179.25 181.02 1ik0 h LEU 48 N 1.01 -0.03 -1.02 0.00 5.85 -0.40 -1.70 115.31 119.02 1ik0 h LEU 48 Ca 0.26 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.98 1ik0 h LEU 48 Cb 0.04 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 1ik0 h LEU 48 CO -0.04 -0.01 0.66 1.05 -0.34 0.00 0.00 178.44 179.76 1ik0 h GLU 49 N -0.04 1.31 -0.97 1.25 4.11 -1.24 -0.00 114.58 119.01 1ik0 h GLU 49 Ca -0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.35 1ik0 h GLU 49 Cb 0.03 -0.30 -0.05 0.00 0.50 0.00 0.00 28.75 28.94 1ik0 h GLU 49 CO 0.01 0.87 0.62 0.77 0.07 0.00 0.00 179.01 181.35 1ik0 h SER 50 N 1.35 1.14 -0.25 3.06 0.02 -1.22 -2.33 113.55 115.32 1ik0 h SER 50 Ca 0.37 -0.05 -0.16 0.00 -0.84 0.00 0.00 61.79 61.11 1ik0 h SER 50 Cb -0.16 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.09 1ik0 h SER 50 CO -0.08 0.85 -0.42 -0.07 -1.14 0.00 0.00 176.83 175.97 1ik0 h LEU 51 N 1.33 0.86 -0.98 5.07 3.38 -0.34 -2.82 115.31 121.80 1ik0 h LEU 51 Ca 0.35 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ik0 h LEU 51 Cb -0.11 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.39 1ik0 h LEU 51 CO -0.07 1.16 0.20 -0.38 0.09 0.00 0.00 178.44 179.44 1ik0 n ILE 52 N -4.04 0.79 0.64 1.22 2.08 -0.12 0.95 119.36 120.88 1ik0 n ILE 52 Ca -0.02 0.73 0.13 0.00 0.56 0.00 0.00 62.75 64.14 1ik0 n ILE 52 Cb 0.55 -1.73 0.34 0.00 -0.75 0.00 0.00 39.64 38.06 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 -2.07 0.73 -4.65 4.38 4.13 -1.06 -4.72 115.26 112.00 1ik0 n ASN 53 Ca -0.01 0.41 -0.39 0.00 1.68 0.00 0.00 54.58 56.27 1ik0 n ASN 53 Cb 0.23 -0.46 -0.07 0.00 -1.54 0.00 0.00 39.78 37.94 1ik0 n ASN 53 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1ik0 s VAL 54 N -3.11 5.11 0.14 2.41 1.01 0.27 -5.06 120.40 121.16 1ik0 s VAL 54 Ca 0.09 0.88 0.06 0.00 0.00 0.00 0.00 61.98 63.02 1ik0 s VAL 54 Cb 0.13 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1ik0 s VAL 54 CO 0.63 0.16 -0.14 -0.44 0.00 0.00 0.00 175.10 175.31 1ik0 s SER 55 N 1.29 2.14 0.00 3.32 0.01 -1.26 -4.72 113.70 114.47 1ik0 s SER 55 Ca 0.22 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.62 1ik0 s SER 55 Cb -0.15 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 65.99 1ik0 s SER 55 CO 0.09 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.20 1ik0 n GLY 56 N 0.34 1.52 3.33 3.44 0.00 -1.26 -4.98 105.19 107.58 1ik0 n GLY 56 Ca -0.14 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.42 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 8.28 0.25 -0.69 0.00 0.87 -1.96 -3.08 113.55 117.23 1ik0 h SER 58 Ca -0.05 -0.12 0.18 0.00 -1.23 0.00 0.00 61.79 60.58 1ik0 h SER 58 Cb 1.06 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.92 1ik0 h SER 58 CO 0.89 0.68 0.48 0.00 -0.53 0.00 0.00 176.83 178.35 1ik0 h ALA 59 N 1.33 2.49 -0.02 6.23 0.00 -1.95 -1.43 119.26 125.91 1ik0 h ALA 59 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ik0 h ALA 59 Cb 0.90 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1ik0 h ALA 59 CO 0.07 -0.69 -0.35 0.44 0.00 0.00 0.00 179.25 178.73 1ik0 n ILE 60 N -4.38 0.00 -0.36 0.00 -5.35 -1.17 -4.41 119.36 103.69 1ik0 n ILE 60 Ca 0.13 -0.33 -0.02 0.00 -0.27 0.00 0.00 62.75 62.26 1ik0 n ILE 60 Cb 0.69 1.27 0.10 0.00 -1.74 0.00 0.00 39.64 39.96 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 2.55 1.28 -0.79 6.28 4.39 -1.24 -1.21 114.58 125.84 1ik0 h GLU 61 Ca 0.00 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 1ik0 h GLU 61 Cb 0.71 -0.29 -0.04 0.00 -0.10 0.00 0.00 28.75 29.04 1ik0 h GLU 61 CO 0.00 0.85 0.33 0.87 -1.16 0.00 0.00 179.01 179.90 1ik0 h LYS 62 N 1.32 1.18 -0.99 2.33 1.57 -1.77 -2.23 116.57 117.97 1ik0 h LYS 62 Ca 0.36 -0.21 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1ik0 h LYS 62 Cb -0.15 -0.20 -0.06 0.00 0.08 0.00 0.00 32.23 31.91 1ik0 h LYS 62 CO -0.08 0.95 0.65 1.15 -0.57 0.00 0.00 179.45 181.55 1ik0 h THR 63 N 1.15 1.18 -0.94 -0.16 2.02 -1.49 -1.96 112.91 112.71 1ik0 h THR 63 Ca 0.27 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 67.02 1ik0 h THR 63 Cb 0.20 -0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 66.37 1ik0 h THR 63 CO -0.02 0.23 0.62 1.56 0.37 0.00 0.00 175.52 178.27 1ik0 h GLN 64 N 1.26 1.24 -0.40 6.66 4.20 -0.75 -1.06 115.11 126.26 1ik0 h GLN 64 Ca 0.39 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.97 1ik0 h GLN 64 Cb -0.00 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.48 1ik0 h GLN 64 CO -0.12 0.83 0.03 0.00 -0.67 0.00 0.00 178.83 178.90 1ik0 h ARG 65 N 1.28 0.68 -0.77 1.46 3.08 -1.24 -1.01 114.38 117.86 1ik0 h ARG 65 Ca 0.34 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 1ik0 h ARG 65 Cb -0.14 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 1ik0 h ARG 65 CO -0.07 0.75 0.28 0.52 -1.07 0.00 0.00 179.97 180.39 1ik0 h MET 66 N 0.52 1.17 -0.57 0.04 2.86 -1.11 -2.03 114.93 115.80 1ik0 h MET 66 Ca 0.12 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 1ik0 h MET 66 Cb 0.42 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1ik0 h MET 66 CO 0.01 0.97 0.14 -0.07 1.06 0.00 0.00 176.91 179.02 1ik0 h LEU 67 N 1.13 0.83 -1.02 1.22 3.38 -1.00 -2.09 115.31 117.75 1ik0 h LEU 67 Ca 0.25 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1ik0 h LEU 67 Cb 0.25 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1ik0 h LEU 67 CO -0.02 0.80 0.65 0.28 0.09 0.00 0.00 178.44 180.25 1ik0 h SER 68 N 0.85 1.07 -0.99 -0.43 0.02 -0.48 0.15 113.55 113.75 1ik0 h SER 68 Ca 0.19 -0.01 0.29 0.00 -0.84 0.00 0.00 61.79 61.42 1ik0 h SER 68 Cb 0.30 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 1ik0 h SER 68 CO -0.00 0.72 0.71 1.23 -1.14 0.00 0.00 176.83 178.35 1ik0 h GLY 69 N 1.23 0.04 -0.75 -3.77 0.00 -0.93 1.45 103.07 100.35 1ik0 h GLY 69 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1ik0 h GLY 69 CO -0.14 -0.00 -0.35 0.69 0.00 0.00 0.00 176.54 176.74 1ik0 n PHE 70 N -4.25 0.00 -3.48 5.60 3.72 0.44 -4.61 117.46 114.88 1ik0 n PHE 70 Ca 0.21 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.33 1ik0 n PHE 70 Cb 1.04 -0.03 -0.11 0.00 -0.94 0.00 0.00 39.48 39.45 1ik0 n PHE 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ik0 h PRO 72 N 5.78 0.00 -5.19 0.00 0.11 -1.78 -3.39 132.00 127.53 1ik0 h PRO 72 Ca 0.22 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.67 1ik0 h PRO 72 Cb 0.89 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 31.85 1ik0 h PRO 72 CO 0.41 0.00 -0.05 -3.38 -0.21 0.00 0.00 178.00 174.77 1ik0 s HIS 73 N -4.29 3.16 0.33 0.65 -3.43 -1.26 -5.05 115.29 105.40 1ik0 s HIS 73 Ca -0.03 0.02 -0.25 0.00 -0.80 0.00 0.00 55.06 53.99 1ik0 s HIS 73 Cb 0.11 -2.99 -0.10 0.00 -1.43 0.00 0.00 32.58 28.16 1ik0 s HIS 73 CO 0.36 -0.63 0.94 0.15 -2.00 0.00 0.00 174.74 173.56 1ik0 s LYS 74 N 2.42 4.54 -0.10 -0.38 1.02 -1.26 -5.06 119.74 120.92 1ik0 s LYS 74 Ca 0.18 1.30 -0.00 0.00 0.02 0.00 0.00 55.97 57.46 1ik0 s LYS 74 Cb -0.15 -2.72 -0.03 0.00 -0.52 0.00 0.00 37.83 34.41 1ik0 s LYS 74 CO 0.14 0.24 -0.08 0.08 -0.92 0.00 0.00 175.35 174.82 1ik0 s VAL 75 N -1.69 3.59 0.46 3.17 1.01 -1.26 -5.12 120.40 120.56 1ik0 s VAL 75 Ca 0.52 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 1ik0 s VAL 75 Cb -0.17 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.71 1ik0 s VAL 75 CO 0.22 0.56 0.69 -0.94 0.00 0.00 0.00 175.10 175.63 1ik0 s SER 76 N -0.34 5.84 0.62 3.32 1.04 -1.25 -4.96 113.70 117.97 1ik0 s SER 76 Ca 0.05 0.34 0.41 0.00 0.48 0.00 0.00 55.95 57.22 1ik0 s SER 76 Cb -0.12 -1.58 2.05 0.00 0.10 0.00 0.00 66.02 66.47 1ik0 s SER 76 CO 0.02 -0.71 2.23 0.00 0.98 0.00 0.00 173.24 175.76 1ik0 h ALA 77 N 0.36 1.00 0.12 5.32 0.00 -1.97 -2.48 119.26 121.61 1ik0 h ALA 77 Ca -0.46 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.11 1ik0 h ALA 77 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1ik0 h ALA 77 CO 0.58 0.00 -1.81 0.78 0.00 0.00 0.00 179.25 178.79 1ik0 h GLY 78 N 0.72 0.29 -5.62 0.00 0.00 -1.97 -3.46 103.07 93.03 1ik0 h GLY 78 Ca 0.00 -0.73 -0.60 0.00 0.00 0.00 0.00 47.33 46.00 1ik0 h GLY 78 CO 0.00 0.64 -0.28 1.20 0.00 0.00 0.00 176.54 178.10 1ik0 s GLN 79 N -2.58 4.13 0.07 4.80 -1.52 -0.93 -5.08 119.66 118.54 1ik0 s GLN 79 Ca -0.16 0.21 0.05 0.00 -1.95 0.00 0.00 55.36 53.51 1ik0 s GLN 79 Cb 0.07 -3.36 -0.03 0.00 -0.22 0.00 0.00 33.01 29.47 1ik0 s GLN 79 CO 0.81 0.37 -0.14 -0.06 -0.25 0.00 0.00 175.29 176.02 1ik0 s PHE 80 N 0.02 1.22 0.00 0.91 0.08 -1.26 -3.88 117.98 115.06 1ik0 s PHE 80 Ca 0.20 -0.45 0.00 0.00 0.12 0.00 0.00 56.93 56.80 1ik0 s PHE 80 Cb -0.14 -0.69 0.00 0.00 -0.57 0.00 0.00 43.02 41.62 1ik0 s PHE 80 CO 0.07 0.06 0.00 0.43 -0.10 0.00 0.00 175.22 175.68 1ik0 n SER 81 N 1.33 4.92 -0.07 1.36 7.64 -1.26 -4.77 113.62 122.76 1ik0 n SER 81 Ca -0.21 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.68 1ik0 n SER 81 Cb 0.54 0.76 0.01 0.00 -1.01 0.00 0.00 64.21 64.51 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 -1.70 1.11 -1.45 6.43 2.88 -1.26 -4.65 113.62 114.97 1ik0 n SER 82 Ca 0.00 -1.06 -0.05 0.00 -1.33 0.00 0.00 58.87 56.43 1ik0 n SER 82 Cb 0.22 0.05 0.14 0.00 -0.75 0.00 0.00 64.21 63.88 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 0.05 4.29 0.09 2.46 4.77 -1.26 -4.17 117.00 123.23 1ik0 n LEU 83 Ca 0.01 -2.22 -0.21 0.00 -0.03 0.00 0.00 56.01 53.56 1ik0 n LEU 83 Cb 0.05 -0.64 -0.12 0.00 -2.33 0.00 0.00 43.42 40.38 1ik0 n LEU 83 CO 0.01 0.64 -0.03 0.45 -1.33 0.00 0.00 177.39 177.13 1ik0 h HIS 84 N 1.19 0.94 -4.04 -1.77 3.86 -1.93 -3.45 115.15 109.96 1ik0 h HIS 84 Ca 0.19 -0.59 -0.47 0.00 -1.16 0.00 0.00 60.37 58.34 1ik0 h HIS 84 Cb 1.66 -0.08 0.02 0.00 1.06 0.00 0.00 27.41 30.07 1ik0 h HIS 84 CO 0.71 1.43 0.39 0.54 0.86 0.00 0.00 177.93 181.86 1ik0 s VAL 85 N -3.02 3.85 -1.24 2.45 0.11 -1.26 -4.95 120.40 116.34 1ik0 s VAL 85 Ca -0.09 1.22 -0.11 0.00 -2.93 0.00 0.00 61.98 60.07 1ik0 s VAL 85 Cb 0.06 -3.53 0.18 0.00 -1.53 0.00 0.00 36.38 31.56 1ik0 s VAL 85 CO 0.92 -0.18 1.67 0.54 -3.33 0.00 0.00 175.10 174.72 1ik0 n ARG 86 N -0.69 3.56 -2.16 1.54 1.74 -1.26 -4.99 116.66 114.40 1ik0 n ARG 86 Ca 0.08 -3.72 -0.26 0.00 -0.77 0.00 0.00 57.85 53.18 1ik0 n ARG 86 Cb 0.52 -2.95 0.08 0.00 -1.02 0.00 0.00 32.46 29.09 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 1.53 4.69 0.16 0.55 1.01 -1.26 -5.06 116.67 118.30 1ik0 s ASP 87 Ca 0.40 0.47 -0.13 0.00 0.71 0.00 0.00 52.55 54.00 1ik0 s ASP 87 Cb 0.04 -1.06 -0.07 0.00 1.01 0.00 0.00 42.92 42.84 1ik0 s ASP 87 CO 0.01 -1.70 0.55 -0.89 0.21 0.00 0.00 175.17 173.35 1ik0 s THR 88 N -3.32 4.88 0.44 -1.27 2.01 -1.26 -4.85 115.64 112.27 1ik0 s THR 88 Ca 0.61 0.74 -0.16 0.00 0.31 0.00 0.00 61.69 63.19 1ik0 s THR 88 Cb -0.10 -3.70 -0.09 0.00 0.01 0.00 0.00 72.50 68.62 1ik0 s THR 88 CO 0.46 0.17 0.90 -0.54 -0.69 0.00 0.00 174.62 174.92 1ik0 s LYS 89 N -2.15 4.00 0.18 4.92 1.02 -1.26 -2.84 119.74 123.60 1ik0 s LYS 89 Ca 0.40 0.87 0.03 0.00 0.02 0.00 0.00 55.97 57.28 1ik0 s LYS 89 Cb -0.14 -2.24 -0.05 0.00 -0.52 0.00 0.00 37.83 34.88 1ik0 s LYS 89 CO 0.19 -0.10 -0.03 0.96 -0.92 0.00 0.00 175.35 175.46 1ik0 s ILE 90 N -2.36 0.87 0.51 2.17 -4.36 0.24 -4.87 121.20 113.40 1ik0 s ILE 90 Ca 0.58 -2.01 -0.22 0.00 -0.26 0.00 0.00 60.65 58.74 1ik0 s ILE 90 Cb -0.10 -2.09 -0.06 0.00 1.25 0.00 0.00 42.46 41.46 1ik0 s ILE 90 CO 0.24 -0.52 1.21 -1.61 0.24 0.00 0.00 174.94 174.50 1ik0 s GLU 91 N -3.86 3.45 0.19 0.37 0.41 -1.26 -0.04 118.70 117.95 1ik0 s GLU 91 Ca 0.23 1.87 -0.13 0.00 -0.41 0.00 0.00 54.97 56.53 1ik0 s GLU 91 Cb 0.05 -2.25 0.10 0.00 -1.78 0.00 0.00 34.13 30.25 1ik0 s GLU 91 CO 0.04 -0.83 1.85 0.28 -0.49 0.00 0.00 175.26 176.11 1ik0 h VAL 92 N 1.55 1.14 -0.91 2.63 2.07 -1.82 -0.82 116.25 120.08 1ik0 h VAL 92 Ca -0.50 -0.27 0.14 0.00 0.82 0.00 0.00 66.70 66.89 1ik0 h VAL 92 Cb 1.27 0.28 -0.09 0.00 -1.52 0.00 0.00 31.29 31.23 1ik0 h VAL 92 CO 0.58 0.14 0.53 0.00 0.02 0.00 0.00 177.57 178.84 1ik0 h ALA 93 N 1.23 1.39 -0.03 1.67 0.00 -1.91 0.11 119.26 121.71 1ik0 h ALA 93 Ca 0.22 0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.97 1ik0 h ALA 93 Cb -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1ik0 h ALA 93 CO -0.06 0.03 -0.88 0.37 0.00 0.00 0.00 179.25 178.71 1ik0 h GLN 94 N 0.78 0.46 -0.29 0.00 4.15 -1.80 -2.81 115.11 115.60 1ik0 h GLN 94 Ca 0.48 -0.45 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1ik0 h GLN 94 Cb 0.60 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 1ik0 h GLN 94 CO -0.32 1.10 0.19 0.35 -1.93 0.00 0.00 178.83 178.22 1ik0 h PHE 95 N 0.28 0.36 -0.43 3.99 3.04 0.36 -1.79 116.94 122.74 1ik0 h PHE 95 Ca -0.07 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.87 1ik0 h PHE 95 Cb 1.51 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.87 1ik0 h PHE 95 CO 0.06 0.23 0.19 0.28 -2.02 0.00 0.00 178.31 177.05 1ik0 h VAL 96 N 0.39 1.19 -0.39 1.41 2.07 -0.87 -1.58 116.25 118.47 1ik0 h VAL 96 Ca 0.11 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1ik0 h VAL 96 Cb -0.04 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1ik0 h VAL 96 CO -0.02 0.21 0.25 0.11 0.02 0.00 0.00 177.57 178.14 1ik0 h LYS 97 N 0.55 0.52 -0.94 1.57 1.57 -1.27 0.37 116.57 118.94 1ik0 h LYS 97 Ca 0.15 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1ik0 h LYS 97 Cb 0.16 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1ik0 h LYS 97 CO -0.01 0.36 0.60 -0.44 -0.57 0.00 0.00 179.45 179.39 1ik0 h ASP 98 N 0.52 1.10 -0.70 0.86 3.32 -1.18 -1.46 116.42 118.88 1ik0 h ASP 98 Ca 0.14 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 1ik0 h ASP 98 Cb -0.04 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.20 1ik0 h ASP 98 CO -0.03 0.82 0.32 0.25 -1.72 0.00 0.00 179.24 178.88 1ik0 h LEU 99 N 1.28 0.95 -0.73 1.55 5.85 -0.59 -2.83 115.31 120.80 1ik0 h LEU 99 Ca 0.34 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1ik0 h LEU 99 Cb -0.11 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.63 1ik0 h LEU 99 CO -0.07 0.82 0.44 0.25 -0.34 0.00 0.00 178.44 179.54 1ik0 h LEU 100 N 1.03 0.69 -0.55 2.25 5.85 0.16 0.48 115.31 125.22 1ik0 h LEU 100 Ca 0.25 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.99 1ik0 h LEU 100 Cb 0.15 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1ik0 h LEU 100 CO -0.03 0.46 0.37 -0.07 -0.34 0.00 0.00 178.44 178.83 1ik0 h LEU 101 N 0.83 0.64 -0.47 2.25 -0.00 -1.32 -2.69 115.31 114.55 1ik0 h LEU 101 Ca 0.31 -0.02 -0.15 0.00 -0.00 0.00 0.00 57.88 58.02 1ik0 h LEU 101 Cb 0.11 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.61 1ik0 h LEU 101 CO -0.15 0.46 -0.37 0.45 -0.00 0.00 0.00 178.44 178.83 1ik0 h HIS 102 N 0.75 1.02 0.24 1.13 3.86 -1.40 -2.45 115.15 118.31 1ik0 h HIS 102 Ca 0.20 -0.30 -0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1ik0 h HIS 102 Cb -0.08 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.15 1ik0 h HIS 102 CO -0.04 1.10 -0.20 -0.07 0.86 0.00 0.00 177.93 179.58 1ik0 h LEU 103 N 0.71 -0.52 -1.55 2.43 3.38 -0.61 -1.61 115.31 117.54 1ik0 h LEU 103 Ca 0.06 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ik0 h LEU 103 Cb 0.94 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1ik0 h LEU 103 CO 0.09 -0.30 0.00 0.07 0.09 0.00 0.00 178.44 178.38 1ik0 h LYS 104 N -0.46 0.00 -0.18 1.13 2.10 -1.56 -3.16 116.57 114.45 1ik0 h LYS 104 Ca -0.01 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.61 1ik0 h LYS 104 Cb 0.41 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.73 1ik0 h LYS 104 CO -0.02 0.00 -0.01 -0.22 -2.00 0.00 0.00 179.45 177.20 1ik0 h LYS 105 N 0.00 0.32 0.00 0.07 3.64 -0.79 -2.72 116.57 117.09 1ik0 h LYS 105 Ca 0.00 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1ik0 h LYS 105 Cb 0.46 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1ik0 h LYS 105 CO 0.00 0.54 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.63 1ik0 h LEU 106 N 0.06 0.00 -1.22 5.20 -0.00 -1.45 -1.57 115.31 116.34 1ik0 h LEU 106 Ca 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.94 1ik0 h LEU 106 Cb 0.40 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.02 1ik0 h LEU 106 CO 0.01 0.01 0.53 0.15 -0.00 0.00 0.00 178.44 179.15 1ik0 h PHE 107 N 0.00 1.00 -0.98 1.13 3.57 -1.58 -0.61 116.94 119.47 1ik0 h PHE 107 Ca -0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1ik0 h PHE 107 Cb 0.04 -0.34 -0.05 0.00 2.79 0.00 0.00 35.95 38.39 1ik0 h PHE 107 CO 0.00 0.63 0.64 0.00 -2.23 0.00 0.00 178.31 177.34 1ik0 h ARG 108 N 1.08 1.31 0.00 1.11 2.47 -1.35 -1.88 114.38 117.11 1ik0 h ARG 108 Ca 0.30 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.93 1ik0 h ARG 108 Cb -0.11 -0.29 0.00 0.00 -1.65 0.00 0.00 29.97 27.92 1ik0 h ARG 108 CO -0.07 0.88 -0.35 0.39 0.56 0.00 0.00 179.97 181.39 1ik0 n GLU 109 N -4.37 0.08 -1.04 0.04 4.71 -0.80 -4.91 120.64 114.34 1ik0 n GLU 109 Ca 0.11 0.03 -0.01 0.00 -0.01 0.00 0.00 57.16 57.29 1ik0 n GLU 109 Cb 0.02 -1.56 -0.01 0.00 -1.01 0.00 0.00 31.44 28.89 1ik0 n GLU 109 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ik0 n GLY 110 N 1.45 0.30 3.39 0.62 0.00 -0.30 -4.92 105.19 105.73 1ik0 n GLY 110 Ca 0.05 -0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.48 3.39 -0.02 1.61 0.52 -1.22 -5.02 118.95 116.73 1ik0 s ARG 111 Ca 0.00 -1.80 -0.20 0.00 -0.52 0.00 0.00 55.73 53.22 1ik0 s ARG 111 Cb 0.00 -4.53 -0.05 0.00 0.52 0.00 0.00 34.95 30.89 1ik0 s ARG 111 CO 0.00 -1.55 0.56 -0.06 0.02 0.00 0.00 175.30 174.27 1ik0 s PHE 112 N 1.96 3.67 0.00 -0.53 0.08 -1.26 -4.87 117.98 117.03 1ik0 s PHE 112 Ca 0.20 1.15 0.00 0.00 0.12 0.00 0.00 56.93 58.40 1ik0 s PHE 112 Cb -0.14 -2.57 0.00 0.00 -0.57 0.00 0.00 43.02 39.74 1ik0 s PHE 112 CO -0.03 0.36 0.00 -1.71 -0.10 0.00 0.00 175.22 173.74